#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 8.18 -1.87 1.61 7.64 -1.26 -4.83 113.62 123.09 1p4q n SER 2 Ca 0.00 -2.97 0.00 0.00 1.01 0.00 0.00 58.87 56.91 1p4q n SER 2 Cb 0.00 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 61.78 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 2.24 0.87 2.40 0.23 0.00 -1.26 -5.02 105.19 104.64 1p4q n GLY 3 Ca 0.67 -1.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.58 6.27 -0.40 1.61 3.41 -1.26 -4.96 113.62 115.71 1p4q n SER 4 Ca 0.00 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.84 1p4q n SER 4 Cb 0.00 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 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 -0.69 -0.59 1.51 5.00 0.00 -1.26 -5.06 105.19 104.11 1p4q n GLY 5 Ca 0.51 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1p4q n GLY 5 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1p4q n SER 6 N 0.00 -8.14 0.00 1.61 2.88 -1.26 -4.87 113.62 103.84 1p4q n SER 6 Ca 0.00 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 1p4q n SER 6 Cb 0.00 -4.25 0.00 0.00 -0.75 0.00 0.00 64.21 59.21 1p4q n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1p4q n GLY 7 N -0.38 2.25 1.97 0.46 0.00 -1.26 -4.93 105.19 103.30 1p4q n GLY 7 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 4.08 -3.21 1.61 2.88 -1.26 -4.91 113.62 112.80 1p4q n SER 8 Ca 0.00 -3.23 -0.12 0.00 -1.33 0.00 0.00 58.87 54.20 1p4q n SER 8 Cb 0.00 -0.76 0.05 0.00 -0.75 0.00 0.00 64.21 62.76 1p4q n SER 8 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1p4q n ASN 9 N -0.50 -6.90 0.00 -3.46 2.85 -1.26 -0.68 115.26 105.30 1p4q n ASN 9 Ca 0.44 -0.57 0.00 0.00 -0.11 0.00 0.00 54.58 54.34 1p4q n ASN 9 Cb 1.39 -5.23 0.00 0.00 1.24 0.00 0.00 39.78 37.19 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 -2.92 0.00 0.00 3.44 3.14 -1.26 -4.36 118.33 116.37 1p4q n VAL 10 Ca -0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 1p4q n VAL 10 Cb 0.59 -0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.37 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 -2.24 1.55 3.06 -1.26 -4.99 119.36 115.48 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 -0.73 0.06 0.00 0.54 0.00 0.00 39.64 39.51 1p4q n ILE 11 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1p4q n ASP 12 N 0.00 3.15 -0.13 9.51 2.03 -1.26 -4.77 116.55 125.07 1p4q n ASP 12 Ca 0.00 -3.12 0.11 0.00 0.52 0.00 0.00 54.79 52.30 1p4q n ASP 12 Cb 0.00 -0.40 0.60 0.00 -0.72 0.00 0.00 41.12 40.59 1p4q n ASP 12 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1p4q n THR 13 N -0.63 0.04 0.30 5.18 -2.24 -1.26 -3.78 114.28 111.89 1p4q n THR 13 Ca 0.26 -0.08 0.10 0.00 -2.27 0.00 0.00 64.05 62.07 1p4q n THR 13 Cb 0.90 -0.16 0.47 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.57 0.53 0.00 3.42 2.03 -1.26 -2.59 116.55 118.10 1p4q n ASP 14 Ca 0.17 0.67 0.00 0.00 0.52 0.00 0.00 54.79 56.15 1p4q n ASP 14 Cb 0.14 -0.77 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 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 -2.12 0.00 -2.36 -0.67 1.16 -1.25 -5.06 117.46 107.15 1p4q n PHE 15 Ca 0.01 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.23 1p4q n PHE 15 Cb 0.14 0.00 -0.02 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 -0.67 3.37 -0.17 1.97 2.07 -1.07 -5.03 121.20 121.67 1p4q s ILE 16 Ca 0.00 0.92 -0.07 0.00 -1.41 0.00 0.00 60.65 60.09 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 0.06 -0.62 -1.91 0.00 0.00 174.94 172.35 1p4q s ASP 17 N -1.69 5.63 0.27 4.50 2.15 -1.26 -4.97 116.67 121.30 1p4q s ASP 17 Ca 0.67 0.10 0.24 0.00 0.43 0.00 0.00 52.55 53.98 1p4q s ASP 17 Cb -0.23 -1.94 1.01 0.00 -0.30 0.00 0.00 42.92 41.46 1p4q s ASP 17 CO 0.27 0.19 1.71 -1.84 -0.17 0.00 0.00 175.17 175.34 1p4q n GLU 18 N 3.40 0.19 -0.03 4.34 0.28 -1.26 -2.44 120.64 125.13 1p4q n GLU 18 Ca -0.17 0.45 -0.10 0.00 -0.16 0.00 0.00 57.16 57.18 1p4q n GLU 18 Cb 0.52 -1.89 -0.14 0.00 1.43 0.00 0.00 31.44 31.36 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 -2.26 0.65 0.17 3.44 1.02 -1.26 -3.47 120.64 118.93 1p4q n GLU 19 Ca 0.02 0.26 -0.13 0.00 -0.02 0.00 0.00 57.16 57.29 1p4q n GLU 19 Cb 0.21 -1.75 -0.07 0.00 -0.02 0.00 0.00 31.44 29.81 1p4q n GLU 19 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1p4q h VAL 20 N 0.01 0.57 0.00 2.62 2.07 -1.90 -2.72 116.25 116.90 1p4q h VAL 20 Ca -0.34 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 1p4q h VAL 20 Cb 2.04 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1p4q h VAL 20 CO 0.07 0.11 -0.07 0.17 0.02 0.00 0.00 177.57 177.87 1p4q h LEU 21 N -0.87 0.00 0.09 2.57 8.10 -1.71 -2.43 115.31 121.05 1p4q h LEU 21 Ca -0.05 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.94 1p4q h LEU 21 Cb 0.53 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.75 1p4q h LEU 21 CO 0.08 0.07 -0.04 -0.03 -4.11 0.00 0.00 178.44 174.41 1p4q h MET 22 N 0.00 -0.11 -0.87 0.17 4.05 -1.57 0.27 114.93 116.87 1p4q h MET 22 Ca -0.00 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.49 1p4q h MET 22 Cb 0.13 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 30.90 1p4q h MET 22 CO 0.01 -0.05 0.57 1.03 0.23 0.00 0.00 176.91 178.70 1p4q h SER 23 N -0.15 0.87 0.83 1.39 0.87 -1.12 0.34 113.55 116.58 1p4q h SER 23 Ca -0.01 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.46 1p4q h SER 23 Cb 0.12 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1p4q h SER 23 CO 0.02 0.57 -0.43 -0.07 -0.53 0.00 0.00 176.83 176.39 1p4q h LEU 24 N 0.99 0.00 -0.23 2.23 3.38 -1.12 -0.71 115.31 119.85 1p4q h LEU 24 Ca 0.37 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.24 1p4q h LEU 24 Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1p4q h LEU 24 CO -0.13 0.43 -0.25 0.58 0.09 0.00 0.00 178.44 179.15 1p4q h VAL 25 N 0.00 1.32 0.04 1.22 2.07 0.16 -1.75 116.25 119.31 1p4q h VAL 25 Ca -0.00 -1.43 -0.24 0.00 0.82 0.00 0.00 66.70 65.84 1p4q h VAL 25 Cb 0.96 1.71 0.01 0.00 -1.52 0.00 0.00 31.29 32.44 1p4q h VAL 25 CO 0.06 0.44 -1.03 0.40 0.02 0.00 0.00 177.57 177.46 1p4q h ILE 26 N 0.28 1.40 -0.69 4.57 5.03 -1.26 1.00 117.51 127.84 1p4q h ILE 26 Ca 0.03 -2.55 -0.06 0.00 -0.12 0.00 0.00 64.86 62.17 1p4q h ILE 26 Cb 0.82 2.54 -0.03 0.00 -3.03 0.00 0.00 36.82 37.11 1p4q h ILE 26 CO 0.06 0.76 0.20 -0.08 -0.68 0.00 0.00 178.15 178.41 1p4q h GLU 27 N 0.21 1.07 0.19 2.37 4.81 -1.14 -3.16 114.58 118.94 1p4q h GLU 27 Ca -0.10 -0.23 -0.33 0.00 -0.13 0.00 0.00 59.36 58.57 1p4q h GLU 27 Cb 1.68 -0.15 0.02 0.00 0.63 0.00 0.00 28.75 30.93 1p4q h GLU 27 CO 0.18 0.93 -1.56 1.98 -0.73 0.00 0.00 179.01 179.80 1p4q h MET 28 N 1.03 0.41 0.00 1.92 4.05 -1.37 -3.49 114.93 117.48 1p4q h MET 28 Ca 0.22 -0.69 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 1p4q h MET 28 Cb 0.32 0.26 0.00 0.00 -0.80 0.00 0.00 31.60 31.38 1p4q h MET 28 CO -0.00 1.33 0.00 0.41 0.23 0.00 0.00 176.91 178.88 1p4q n GLY 29 N 1.79 1.29 0.33 1.39 0.00 -0.29 -5.02 105.19 104.69 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 -0.93 0.99 4.77 0.33 -3.57 117.00 119.61 1p4q n LEU 30 Ca 0.00 -0.39 0.07 0.00 -0.03 0.00 0.00 56.01 55.67 1p4q n LEU 30 Cb 0.00 -0.04 0.26 0.00 -2.33 0.00 0.00 43.42 41.31 1p4q n LEU 30 CO 0.00 0.19 0.71 -0.90 -1.33 0.00 0.00 177.39 176.07 1p4q n ASP 31 N -0.16 3.79 0.00 -1.43 5.75 -1.25 -4.74 116.55 118.51 1p4q n ASP 31 Ca 0.18 -3.08 0.00 0.00 -0.01 0.00 0.00 54.79 51.88 1p4q n ASP 31 Cb 0.25 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 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 -0.56 0.00 -3.54 0.11 0.00 -1.23 -5.13 116.66 106.31 1p4q n ARG 32 Ca 0.23 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.70 1p4q n ARG 32 Cb 0.91 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 33.28 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 0.00 5.28 0.15 5.15 1.01 -1.26 -4.97 121.20 126.56 1p4q s ILE 33 Ca 0.00 0.32 -0.12 0.00 0.00 0.00 0.00 60.65 60.86 1p4q s ILE 33 Cb 0.00 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.89 1p4q s ILE 33 CO 0.00 0.25 1.56 0.11 0.00 0.00 0.00 174.94 176.86 1p4q h LYS 34 N 8.01 0.91 -4.09 2.79 1.79 -2.01 -3.42 116.57 120.56 1p4q h LYS 34 Ca -0.35 -0.35 -0.49 0.00 -2.18 0.00 0.00 60.65 57.28 1p4q h LYS 34 Cb 1.18 -0.05 -0.37 0.00 -1.58 0.00 0.00 32.23 31.41 1p4q h LYS 34 CO 0.62 1.00 -0.79 -1.21 -1.08 0.00 0.00 179.45 177.98 1p4q s GLU 35 N -4.81 1.23 -0.54 3.15 2.02 -1.26 -5.11 118.70 113.38 1p4q s GLU 35 Ca -0.12 -0.15 -0.23 0.00 0.02 0.00 0.00 54.97 54.49 1p4q s GLU 35 Cb 0.12 -1.34 0.05 0.00 0.10 0.00 0.00 34.13 33.05 1p4q s GLU 35 CO 0.84 -0.24 0.86 -1.17 0.02 0.00 0.00 175.26 175.58 1p4q s LEU 36 N 1.63 4.33 0.99 1.80 2.96 -1.26 -5.04 118.68 124.08 1p4q s LEU 36 Ca 0.02 -0.52 -0.12 0.00 -0.22 0.00 0.00 54.13 53.29 1p4q s LEU 36 Cb -0.13 -2.71 0.18 0.00 0.50 0.00 0.00 46.19 44.03 1p4q s LEU 36 CO -0.06 -1.15 1.08 -2.16 -1.32 0.00 0.00 176.35 172.74 1p4q s PRO 37 N 3.63 0.49 0.23 0.98 0.04 -1.26 -5.03 135.00 134.07 1p4q s PRO 37 Ca 0.26 1.00 -0.07 0.00 0.04 0.00 0.00 61.00 62.23 1p4q s PRO 37 Cb -0.14 -1.71 -0.06 0.00 0.04 0.00 0.00 34.50 32.63 1p4q s PRO 37 CO 0.17 -2.82 0.51 -1.21 0.04 0.00 0.00 177.00 173.69 1p4q s GLU 38 N -4.71 3.70 -0.36 4.56 2.02 -1.26 -5.07 118.70 117.58 1p4q s GLU 38 Ca 0.66 0.10 0.04 0.00 0.02 0.00 0.00 54.97 55.78 1p4q s GLU 38 Cb -0.21 -2.70 0.10 0.00 0.10 0.00 0.00 34.13 31.42 1p4q s GLU 38 CO 0.60 0.32 0.07 -1.17 0.02 0.00 0.00 175.26 175.10 1p4q s LEU 39 N -3.02 4.78 0.08 1.80 1.98 -1.26 -5.09 118.68 117.95 1p4q s LEU 39 Ca 0.45 -2.20 0.04 0.00 -2.89 0.00 0.00 54.13 49.53 1p4q s LEU 39 Cb -0.11 -1.64 -0.03 0.00 0.66 0.00 0.00 46.19 45.06 1p4q s LEU 39 CO 0.25 -0.38 -0.12 0.26 -1.89 0.00 0.00 176.35 174.46 1p4q s TRP 40 N 0.84 1.12 0.30 5.38 0.23 -1.26 -5.04 118.94 120.52 1p4q s TRP 40 Ca 0.11 -0.53 0.06 0.00 -2.03 0.00 0.00 56.10 53.71 1p4q s TRP 40 Cb -0.20 -0.62 0.80 0.00 0.03 0.00 0.00 33.47 33.48 1p4q s TRP 40 CO -0.07 0.03 1.68 -0.07 0.96 0.00 0.00 176.95 179.48 1p4q h LEU 41 N 4.02 0.29 0.00 2.99 -0.00 -2.00 -3.43 115.31 117.18 1p4q h LEU 41 Ca -0.39 0.17 0.00 0.00 -0.00 0.00 0.00 57.88 57.66 1p4q h LEU 41 Cb 1.19 0.17 0.00 0.00 -0.00 0.00 0.00 40.66 42.02 1p4q h LEU 41 CO 0.45 -0.07 0.00 0.61 -0.00 0.00 0.00 178.44 179.43 1p4q n GLY 42 N -1.34 1.92 3.44 0.83 0.00 -1.26 -4.59 105.19 104.19 1p4q n GLY 42 Ca 0.24 0.48 -0.29 0.00 0.00 0.00 0.00 46.02 46.44 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 2.78 -2.21 -1.63 1.61 1.13 -1.26 -4.94 117.38 112.86 1p4q n GLN 43 Ca 0.00 -0.61 -0.30 0.00 -1.94 0.00 0.00 57.00 54.14 1p4q n GLN 43 Cb 0.00 -2.08 0.05 0.00 0.11 0.00 0.00 30.24 28.32 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 -4.26 6.48 -0.46 1.08 0.23 -1.26 -4.51 115.26 112.56 1p4q n ASN 44 Ca 0.03 -3.77 0.11 0.00 -0.53 0.00 0.00 54.58 50.42 1p4q n ASN 44 Cb 0.55 -0.70 -0.00 0.00 -2.08 0.00 0.00 39.78 37.55 1p4q n ASN 44 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1p4q n GLU 45 N -0.83 1.12 -1.14 -3.83 4.71 -1.26 -4.28 120.64 115.13 1p4q n GLU 45 Ca 0.55 -0.92 0.05 0.00 -0.01 0.00 0.00 57.16 56.82 1p4q n GLU 45 Cb 0.80 -1.48 0.08 0.00 -1.01 0.00 0.00 31.44 29.83 1p4q n GLU 45 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1p4q n PHE 46 N -0.14 0.00 0.19 -0.32 3.72 -1.26 -4.83 117.46 114.81 1p4q n PHE 46 Ca 0.09 -0.80 0.12 0.00 -0.05 0.00 0.00 57.45 56.80 1p4q n PHE 46 Cb 0.46 -0.18 0.62 0.00 -0.94 0.00 0.00 39.48 39.44 1p4q n PHE 46 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1p4q h ASP 47 N 0.93 0.00 0.22 4.37 3.32 -1.87 -0.97 116.42 122.43 1p4q h ASP 47 Ca -0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1p4q h ASP 47 Cb 1.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.13 1p4q h ASP 47 CO 0.06 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.07 1p4q n PHE 48 N -2.32 0.00 0.31 4.55 3.01 -1.26 -2.48 117.46 119.26 1p4q n PHE 48 Ca -0.02 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.49 1p4q n PHE 48 Cb 0.10 -0.38 0.19 0.00 -0.01 0.00 0.00 39.48 39.37 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 -1.38 0.02 0.00 -1.08 2.81 -0.37 -4.40 117.12 112.72 1p4q n MET 49 Ca 0.03 0.33 0.00 0.00 -1.81 0.00 0.00 57.70 56.25 1p4q n MET 49 Cb 0.08 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.09 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 -1.47 0.00 -1.05 2.03 5.66 -1.04 -5.00 114.28 113.42 1p4q n THR 50 Ca 0.02 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.01 1p4q n THR 50 Cb 0.09 -0.19 -0.01 0.00 -1.55 0.00 0.00 70.33 68.68 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 -0.77 -5.00 -0.76 1.09 -0.08 -1.24 -5.19 116.55 104.59 1p4q n ASP 51 Ca 0.00 0.04 0.10 0.00 -1.51 0.00 0.00 54.79 53.42 1p4q n ASP 51 Cb 0.00 -2.65 0.08 0.00 2.34 0.00 0.00 41.12 40.89 1p4q n ASP 51 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81