#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p4q s SER 2 N 0.00 4.42 -0.77 1.61 0.01 -1.26 -4.73 113.70 112.98 1p4q s SER 2 Ca 0.00 -1.53 -0.04 0.00 1.31 0.00 0.00 55.95 55.68 1p4q s SER 2 Cb 0.00 -1.50 0.00 0.00 0.21 0.00 0.00 66.02 64.74 1p4q s SER 2 CO 0.00 -0.24 0.67 0.61 0.41 0.00 0.00 173.24 174.68 1p4q n GLY 3 N 4.44 0.06 3.76 3.44 0.00 -1.26 -5.04 105.19 110.59 1p4q n GLY 3 Ca -0.10 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 1p4q n GLY 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p4q s SER 4 N -3.32 5.24 -1.25 1.61 0.01 -1.26 -4.60 113.70 110.12 1p4q s SER 4 Ca 0.27 -0.30 -0.08 0.00 1.31 0.00 0.00 55.95 57.14 1p4q s SER 4 Cb -0.12 -1.26 0.01 0.00 0.21 0.00 0.00 66.02 64.86 1p4q s SER 4 CO 0.42 0.02 1.09 0.61 0.41 0.00 0.00 173.24 175.80 1p4q n GLY 5 N -0.72 -0.43 3.88 3.44 0.00 -1.26 -4.99 105.19 105.10 1p4q n GLY 5 Ca -0.08 0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.29 6.45 0.00 1.61 0.01 -1.26 -4.98 113.70 112.23 1p4q s SER 6 Ca 0.54 0.53 0.00 0.00 1.31 0.00 0.00 55.95 58.33 1p4q s SER 6 Cb -0.24 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1p4q s SER 6 CO 0.67 0.38 0.00 0.61 0.41 0.00 0.00 173.24 175.31 1p4q n GLY 7 N 1.83 2.36 2.72 3.44 0.00 -1.26 -5.07 105.19 109.22 1p4q n GLY 7 Ca -0.18 -1.56 -0.08 0.00 0.00 0.00 0.00 46.02 44.20 1p4q n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1p4q n SER 8 N 0.00 -2.19 -2.71 1.61 7.64 -1.26 -5.04 113.62 111.67 1p4q n SER 8 Ca 0.00 -3.44 -0.06 0.00 1.01 0.00 0.00 58.87 56.38 1p4q n SER 8 Cb 0.00 1.81 0.01 0.00 -1.01 0.00 0.00 64.21 65.02 1p4q n SER 8 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1p4q n ASN 9 N 0.34 -7.23 0.00 6.43 4.13 -1.26 -5.04 115.26 112.63 1p4q n ASN 9 Ca 0.04 0.42 0.00 0.00 1.68 0.00 0.00 54.58 56.72 1p4q n ASN 9 Cb 0.71 -4.87 0.00 0.00 -1.54 0.00 0.00 39.78 34.09 1p4q n ASN 9 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 1p4q n VAL 10 N -0.47 0.00 -0.01 2.41 3.14 -1.26 -5.02 118.33 117.12 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 0.41 -0.07 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 -2.42 1.55 3.06 -1.26 -5.01 119.36 115.28 1p4q n ILE 11 Ca 0.00 0.00 -0.10 0.00 -2.50 0.00 0.00 62.75 60.15 1p4q n ILE 11 Cb 0.00 -1.35 0.04 0.00 0.54 0.00 0.00 39.64 38.87 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 -0.03 2.97 -0.16 9.51 8.00 -1.26 -4.81 116.55 130.78 1p4q n ASP 12 Ca 0.00 -2.83 0.05 0.00 0.71 0.00 0.00 54.79 52.72 1p4q n ASP 12 Cb 0.00 -0.41 0.27 0.00 -0.02 0.00 0.00 41.12 40.95 1p4q n ASP 12 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1p4q n THR 13 N -0.62 0.09 0.86 -3.53 -2.24 -1.26 -3.79 114.28 103.80 1p4q n THR 13 Ca 0.23 -0.11 0.09 0.00 -2.27 0.00 0.00 64.05 61.99 1p4q n THR 13 Cb 0.88 -0.02 0.46 0.00 -2.10 0.00 0.00 70.33 69.55 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 -0.36 0.00 0.00 3.42 -0.08 -1.26 -2.68 116.55 115.59 1p4q n ASP 14 Ca 0.09 0.03 0.00 0.00 -1.51 0.00 0.00 54.79 53.40 1p4q n ASP 14 Cb 0.11 -0.29 0.00 0.00 2.34 0.00 0.00 41.12 43.28 1p4q n ASP 14 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1p4q n PHE 15 N -1.29 0.00 -2.36 -0.67 1.16 -1.25 -5.06 117.46 107.98 1p4q n PHE 15 Ca 0.09 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.32 1p4q n PHE 15 Cb 0.15 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.00 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 -0.45 3.39 -0.12 1.97 2.07 -1.09 -5.04 121.20 121.93 1p4q s ILE 16 Ca 0.00 0.87 -0.05 0.00 -1.41 0.00 0.00 60.65 60.06 1p4q s ILE 16 Cb 0.00 -3.35 -0.04 0.00 0.13 0.00 0.00 42.46 39.20 1p4q s ILE 16 CO 0.00 -0.18 0.06 -0.62 -1.91 0.00 0.00 174.94 172.29 1p4q s ASP 17 N -1.84 5.70 0.42 4.50 -1.08 -1.26 -4.98 116.67 118.13 1p4q s ASP 17 Ca 0.71 0.22 0.29 0.00 -0.52 0.00 0.00 52.55 53.24 1p4q s ASP 17 Cb -0.21 -1.80 1.51 0.00 -1.46 0.00 0.00 42.92 40.96 1p4q s ASP 17 CO 0.24 0.33 1.87 -0.08 0.52 0.00 0.00 175.17 178.05 1p4q h GLU 18 N 5.56 0.00 0.00 4.34 4.22 -1.99 -0.75 114.58 125.96 1p4q h GLU 18 Ca -0.48 0.00 -0.14 0.00 0.08 0.00 0.00 59.36 58.82 1p4q h GLU 18 Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1p4q h GLU 18 CO 0.60 0.00 -1.41 0.39 -2.18 0.00 0.00 179.01 176.41 1p4q n GLU 19 N -2.51 0.62 0.05 1.92 -0.58 -1.26 -3.90 120.64 114.98 1p4q n GLU 19 Ca -0.02 0.17 -0.13 0.00 -0.42 0.00 0.00 57.16 56.77 1p4q n GLU 19 Cb 0.07 -1.78 -0.09 0.00 -0.57 0.00 0.00 31.44 29.07 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 1.10 0.08 2.62 2.07 -1.54 -1.19 116.25 119.39 1p4q h VAL 20 Ca -0.14 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.59 1p4q h VAL 20 Cb 1.47 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 32.80 1p4q h VAL 20 CO 0.03 0.19 -0.52 -0.07 0.02 0.00 0.00 177.57 177.23 1p4q h LEU 21 N -0.50 -1.58 -0.24 2.57 3.38 -1.71 0.84 115.31 118.07 1p4q h LEU 21 Ca -0.01 0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.19 1p4q h LEU 21 Cb 0.42 0.59 -0.07 0.00 0.09 0.00 0.00 40.66 41.68 1p4q h LEU 21 CO 0.02 -0.54 -0.26 -0.03 0.09 0.00 0.00 178.44 177.72 1p4q h MET 22 N -0.72 -0.27 -0.54 1.13 4.05 -1.67 0.42 114.93 117.33 1p4q h MET 22 Ca -0.00 0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.45 1p4q h MET 22 Cb 0.73 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.56 1p4q h MET 22 CO -0.30 -0.18 0.34 1.03 0.23 0.00 0.00 176.91 178.03 1p4q h SER 23 N -0.28 0.57 0.36 1.39 0.87 -0.78 -1.41 113.55 114.27 1p4q h SER 23 Ca 0.13 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 1p4q h SER 23 Cb 0.48 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 1p4q h SER 23 CO -0.40 0.41 -0.19 -0.07 -0.53 0.00 0.00 176.83 176.05 1p4q h LEU 24 N 0.69 0.00 0.22 2.23 3.38 0.15 -0.31 115.31 121.67 1p4q h LEU 24 Ca 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1p4q h LEU 24 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1p4q h LEU 24 CO -0.07 0.19 -0.10 0.58 0.09 0.00 0.00 178.44 179.13 1p4q h VAL 25 N 0.00 0.81 -0.40 1.22 2.07 0.85 -2.78 116.25 118.03 1p4q h VAL 25 Ca -0.00 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.57 1p4q h VAL 25 Cb 0.42 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1p4q h VAL 25 CO 0.03 0.17 -0.06 0.40 0.02 0.00 0.00 177.57 178.13 1p4q h ILE 26 N -0.78 1.24 0.06 4.57 5.03 -1.28 1.13 117.51 127.48 1p4q h ILE 26 Ca -0.03 -1.02 0.02 0.00 -0.12 0.00 0.00 64.86 63.72 1p4q h ILE 26 Cb 0.51 1.00 -0.04 0.00 -3.03 0.00 0.00 36.82 35.26 1p4q h ILE 26 CO 0.05 0.35 -0.24 -0.08 -0.68 0.00 0.00 178.15 177.54 1p4q h GLU 27 N 0.62 -0.40 0.16 2.37 4.22 -1.08 -3.23 114.58 117.25 1p4q h GLU 27 Ca 0.12 0.03 -0.35 0.00 0.08 0.00 0.00 59.36 59.23 1p4q h GLU 27 Cb 0.48 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1p4q h GLU 27 CO 0.02 -0.27 -1.82 1.98 -2.18 0.00 0.00 179.01 176.75 1p4q h MET 28 N -0.42 0.35 0.00 1.92 4.05 -1.43 -3.49 114.93 115.91 1p4q h MET 28 Ca 0.04 -0.59 0.00 0.00 -0.28 0.00 0.00 59.70 58.87 1p4q h MET 28 Cb 0.47 0.22 0.00 0.00 -0.80 0.00 0.00 31.60 31.49 1p4q h MET 28 CO -0.18 1.28 0.00 0.41 0.23 0.00 0.00 176.91 178.66 1p4q n GLY 29 N 1.90 0.97 0.78 1.39 0.00 0.29 -5.03 105.19 105.50 1p4q n GLY 29 Ca -0.27 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.80 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 2.25 -0.88 0.99 4.77 0.31 -3.90 117.00 120.54 1p4q n LEU 30 Ca 0.00 -1.13 0.01 0.00 -0.03 0.00 0.00 56.01 54.86 1p4q n LEU 30 Cb 0.00 -0.32 0.20 0.00 -2.33 0.00 0.00 43.42 40.97 1p4q n LEU 30 CO 0.00 0.47 0.55 -0.90 -1.33 0.00 0.00 177.39 176.18 1p4q n ASP 31 N 0.49 2.21 -2.65 -1.43 5.75 -1.26 -4.74 116.55 114.91 1p4q n ASP 31 Ca 0.12 -3.77 -0.03 0.00 -0.01 0.00 0.00 54.79 51.10 1p4q n ASP 31 Cb 0.40 -0.58 0.11 0.00 -1.03 0.00 0.00 41.12 40.02 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 -1.12 0.05 -3.58 0.11 0.63 -1.25 -5.12 116.66 106.39 1p4q n ARG 32 Ca 0.26 -0.57 -0.24 0.00 -0.92 0.00 0.00 57.85 56.38 1p4q n ARG 32 Cb 0.87 -0.06 -0.02 0.00 0.45 0.00 0.00 32.46 33.70 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 0.02 5.16 0.14 5.15 1.01 -1.26 -5.04 121.20 126.37 1p4q s ILE 33 Ca 0.21 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.35 1p4q s ILE 33 Cb 0.28 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.92 1p4q s ILE 33 CO -0.18 -0.40 0.00 0.29 0.00 0.00 0.00 174.94 174.65 1p4q n LYS 34 N -1.38 0.00 -3.69 2.79 5.02 -1.26 -5.02 118.16 114.62 1p4q n LYS 34 Ca -0.05 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.85 1p4q n LYS 34 Cb 0.56 -0.37 -0.12 0.00 -0.02 0.00 0.00 35.03 35.07 1p4q n LYS 34 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1p4q s GLU 35 N -1.96 3.05 -0.15 1.97 4.04 -1.26 -5.08 118.70 119.31 1p4q s GLU 35 Ca 0.00 -0.90 -0.17 0.00 0.04 0.00 0.00 54.97 53.94 1p4q s GLU 35 Cb 0.00 -3.52 -0.04 0.00 0.02 0.00 0.00 34.13 30.59 1p4q s GLU 35 CO 0.00 -0.52 0.42 -1.17 -1.84 0.00 0.00 175.26 172.15 1p4q s LEU 36 N 1.53 4.24 0.79 1.83 2.96 -1.26 -5.08 118.68 123.69 1p4q s LEU 36 Ca 0.03 0.68 -0.12 0.00 -0.22 0.00 0.00 54.13 54.50 1p4q s LEU 36 Cb -0.18 -2.58 0.06 0.00 0.50 0.00 0.00 46.19 43.99 1p4q s LEU 36 CO 0.05 0.00 1.10 -2.16 -1.32 0.00 0.00 176.35 174.02 1p4q s PRO 37 N 0.76 2.18 -0.05 0.98 0.04 -1.26 -5.06 135.00 132.58 1p4q s PRO 37 Ca 0.22 0.55 -0.05 0.00 0.04 0.00 0.00 61.00 61.76 1p4q s PRO 37 Cb -0.14 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1p4q s PRO 37 CO 0.08 -1.53 0.18 -1.21 0.04 0.00 0.00 177.00 174.56 1p4q s GLU 38 N -5.23 3.47 -0.40 4.56 2.02 -1.26 -5.08 118.70 116.79 1p4q s GLU 38 Ca 0.60 -0.19 0.04 0.00 0.02 0.00 0.00 54.97 55.44 1p4q s GLU 38 Cb -0.13 -3.13 0.11 0.00 0.10 0.00 0.00 34.13 31.07 1p4q s GLU 38 CO 0.53 0.71 0.12 -0.51 0.02 0.00 0.00 175.26 176.13 1p4q s LEU 39 N -1.53 4.64 -0.30 1.80 2.01 -1.26 -5.05 118.68 119.00 1p4q s LEU 39 Ca 0.22 -2.42 -0.01 0.00 0.01 0.00 0.00 54.13 51.93 1p4q s LEU 39 Cb -0.13 -1.64 0.09 0.00 0.01 0.00 0.00 46.19 44.53 1p4q s LEU 39 CO 0.12 -0.34 0.08 0.26 1.01 0.00 0.00 176.35 177.49 1p4q s TRP 40 N 0.53 1.68 0.00 0.29 0.23 -1.26 -5.02 118.94 115.40 1p4q s TRP 40 Ca 0.13 -1.66 0.00 0.00 -2.03 0.00 0.00 56.10 52.54 1p4q s TRP 40 Cb -0.21 -1.65 0.00 0.00 0.03 0.00 0.00 33.47 31.64 1p4q s TRP 40 CO -0.05 -0.85 0.00 1.28 0.96 0.00 0.00 176.95 178.29 1p4q n LEU 41 N 4.86 0.00 0.00 2.99 7.99 -1.26 -4.83 117.00 126.75 1p4q n LEU 41 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.97 1p4q n LEU 41 Cb 0.43 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.74 1p4q n LEU 41 CO 0.12 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.61 1p4q n GLY 42 N 0.00 1.30 3.54 -0.72 0.00 -1.26 -4.78 105.19 103.27 1p4q n GLY 42 Ca 0.00 0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.99 -0.00 1.61 1.13 -1.26 -4.96 117.38 112.90 1p4q n GLN 43 Ca 0.00 -0.24 0.06 0.00 -1.94 0.00 0.00 57.00 54.88 1p4q n GLN 43 Cb 0.00 -2.18 -0.09 0.00 0.11 0.00 0.00 30.24 28.08 1p4q n GLN 43 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1p4q n ASN 44 N -3.66 1.58 0.00 1.08 3.02 -1.26 -4.39 115.26 111.62 1p4q n ASN 44 Ca 0.08 -0.26 0.15 0.00 -0.03 0.00 0.00 54.58 54.52 1p4q n ASN 44 Cb 0.54 1.40 0.85 0.00 -0.61 0.00 0.00 39.78 41.95 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 -1.73 0.70 -0.37 3.52 0.00 -1.26 -3.11 120.64 118.39 1p4q n GLU 45 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.23 1p4q n GLU 45 Cb 0.29 -1.50 0.15 0.00 0.00 0.00 0.00 31.44 30.38 1p4q n GLU 45 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1p4q n PHE 46 N -1.15 0.00 0.02 4.31 3.01 -1.26 -4.75 117.46 117.64 1p4q n PHE 46 Ca 0.19 -1.08 0.01 0.00 1.01 0.00 0.00 57.45 57.59 1p4q n PHE 46 Cb 0.18 -0.18 0.08 0.00 -0.01 0.00 0.00 39.48 39.54 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 -1.11 0.07 0.00 4.37 -0.08 -1.18 -2.10 116.55 116.53 1p4q n ASP 47 Ca 0.15 0.53 0.03 0.00 -1.51 0.00 0.00 54.79 54.00 1p4q n ASP 47 Cb 0.69 -0.54 0.13 0.00 2.34 0.00 0.00 41.12 43.74 1p4q n ASP 47 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1p4q n PHE 48 N -1.60 0.00 1.60 -0.67 3.72 -1.26 -2.16 117.46 117.09 1p4q n PHE 48 Ca -0.00 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.49 1p4q n PHE 48 Cb 0.00 -0.40 0.52 0.00 -0.94 0.00 0.00 39.48 38.67 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 -1.40 0.80 0.00 -1.08 2.81 -0.89 -4.60 117.12 112.77 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 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 1p4q n MET 49 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1p4q n THR 50 N -0.84 0.00 -1.10 2.03 5.66 -0.92 -5.01 114.28 114.10 1p4q n THR 50 Ca 0.13 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.10 1p4q n THR 50 Cb 0.06 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.82 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 -0.79 -5.33 0.00 1.09 -0.08 -1.19 -5.18 116.55 105.07 1p4q n ASP 51 Ca 0.00 0.09 0.00 0.00 -1.51 0.00 0.00 54.79 53.37 1p4q n ASP 51 Cb 0.00 -3.15 0.00 0.00 2.34 0.00 0.00 41.12 40.31 1p4q n ASP 51 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65