#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ytm n SER 2 N 0.00 1.13 -4.65 1.61 2.88 -1.26 -5.05 113.62 108.29 2ytm n SER 2 Ca 0.00 0.18 -0.29 0.00 -1.33 0.00 0.00 58.87 57.43 2ytm n SER 2 Cb 0.00 -0.44 -0.08 0.00 -0.75 0.00 0.00 64.21 62.94 2ytm n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2ytm s SER 3 N -6.10 4.79 0.00 -3.46 0.15 -1.26 -4.85 113.70 102.97 2ytm s SER 3 Ca -0.17 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.21 2ytm s SER 3 Cb 0.05 -1.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.31 2ytm s SER 3 CO 0.22 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.43 2ytm n GLY 4 N 0.49 0.48 3.12 9.45 0.00 -1.26 -5.07 105.19 112.40 2ytm n GLY 4 Ca -0.11 -0.53 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 2ytm n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ytm s SER 5 N -2.09 5.29 0.30 1.61 0.15 -1.26 -5.04 113.70 112.65 2ytm s SER 5 Ca 0.00 -2.32 -0.19 0.00 0.70 0.00 0.00 55.95 54.14 2ytm s SER 5 Cb 0.00 -1.85 0.06 0.00 -1.71 0.00 0.00 66.02 62.52 2ytm s SER 5 CO 0.00 -0.49 0.87 -0.55 1.20 0.00 0.00 173.24 174.26 2ytm s SER 6 N 1.49 -0.03 0.00 5.45 0.15 -1.26 -5.18 113.70 114.32 2ytm s SER 6 Ca 0.11 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 55.85 2ytm s SER 6 Cb -0.22 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 2ytm s SER 6 CO -0.04 -1.40 0.00 0.61 1.20 0.00 0.00 173.24 173.61 2ytm n GLY 7 N -0.57 -0.09 3.07 9.45 0.00 -1.26 -5.09 105.19 110.70 2ytm n GLY 7 Ca -0.06 -1.31 -0.32 0.00 0.00 0.00 0.00 46.02 44.33 2ytm n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ytm s THR 8 N -3.05 2.07 0.00 2.61 2.01 -1.26 -5.06 115.64 112.97 2ytm s THR 8 Ca 0.00 -1.43 0.00 0.00 0.31 0.00 0.00 61.69 60.57 2ytm s THR 8 Cb 0.00 -2.13 0.00 0.00 0.01 0.00 0.00 72.50 70.38 2ytm s THR 8 CO 0.00 0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.63 2ytm n GLY 9 N 4.50 1.00 3.29 4.40 0.00 -1.26 -5.13 105.19 111.99 2ytm n GLY 9 Ca -0.15 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 43.76 2ytm n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ytm s GLU 10 N -1.28 1.74 -0.61 1.61 0.41 -1.26 -5.09 118.70 114.23 2ytm s GLU 10 Ca 0.00 -0.94 0.05 0.00 -0.41 0.00 0.00 54.97 53.66 2ytm s GLU 10 Cb 0.00 -1.80 0.17 0.00 -1.78 0.00 0.00 34.13 30.73 2ytm s GLU 10 CO 0.00 0.48 0.46 1.63 -0.49 0.00 0.00 175.26 177.33 2ytm n LYS 11 N 2.12 1.33 0.00 1.61 4.01 -1.26 -4.92 118.16 121.05 2ytm n LYS 11 Ca -0.16 -4.07 0.08 0.00 -0.51 0.00 0.00 58.31 53.64 2ytm n LYS 11 Cb 0.52 -2.08 0.44 0.00 -0.51 0.00 0.00 35.03 33.40 2ytm n LYS 11 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 2ytm n PRO 12 N 2.19 0.42 -0.10 1.97 -0.04 -1.26 -3.05 135.00 135.14 2ytm n PRO 12 Ca 0.23 0.04 -0.20 0.00 -0.04 0.00 0.00 63.50 63.53 2ytm n PRO 12 Cb 0.39 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.24 2ytm n PRO 12 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2ytm h TYR 13 N 0.00 0.00 -3.64 0.54 -1.99 -2.02 -3.47 116.97 106.39 2ytm h TYR 13 Ca 0.00 0.00 -0.68 0.00 2.00 0.00 0.00 58.73 60.05 2ytm h TYR 13 Cb 0.03 0.00 -0.18 0.00 2.00 0.00 0.00 36.73 38.58 2ytm h TYR 13 CO 0.00 1.34 -0.70 0.21 -0.00 0.00 0.00 178.16 179.01 2ytm s LYS 14 N -2.33 2.68 0.26 4.88 2.20 -1.17 -4.79 119.74 121.47 2ytm s LYS 14 Ca -0.26 -0.61 -0.30 0.00 -0.36 0.00 0.00 55.97 54.44 2ytm s LYS 14 Cb 0.04 -2.56 -0.11 0.00 -1.51 0.00 0.00 37.83 33.69 2ytm s LYS 14 CO 0.58 0.64 1.53 0.00 -0.36 0.00 0.00 175.35 177.75 2ytm n MET 16 N 2.41 0.67 -0.30 0.00 0.00 -1.26 -2.43 117.12 116.22 2ytm n MET 16 Ca 0.08 0.12 0.03 0.00 0.00 0.00 0.00 57.70 57.93 2ytm n MET 16 Cb 0.39 -1.60 0.10 0.00 0.00 0.00 0.00 33.22 32.10 2ytm n MET 16 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 2ytm h GLU 17 N 0.01 -0.01 0.00 0.03 4.39 -2.00 -3.32 114.58 113.68 2ytm h GLU 17 Ca -0.48 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.12 2ytm h GLU 17 Cb 2.11 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.75 2ytm h GLU 17 CO 0.03 -0.01 -1.33 0.00 -1.16 0.00 0.00 179.01 176.54 2ytm n GLY 19 N 2.81 0.76 2.78 0.00 0.00 -1.02 -5.12 105.19 105.41 2ytm n GLY 19 Ca -0.11 -0.68 -0.15 0.00 0.00 0.00 0.00 46.02 45.07 2ytm n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ytm s LYS 20 N -1.15 -0.03 0.11 1.61 2.20 -1.23 -5.01 119.74 116.25 2ytm s LYS 20 Ca 0.00 0.22 -0.24 0.00 -0.36 0.00 0.00 55.97 55.59 2ytm s LYS 20 Cb 0.00 -0.25 -0.07 0.00 -1.51 0.00 0.00 37.83 36.00 2ytm s LYS 20 CO 0.00 -0.18 0.72 0.00 -0.36 0.00 0.00 175.35 175.53 2ytm s ALA 21 N 1.13 3.47 0.38 3.13 0.00 -1.26 -3.64 121.76 124.97 2ytm s ALA 21 Ca -0.08 0.26 0.08 0.00 0.00 0.00 0.00 51.96 52.21 2ytm s ALA 21 Cb -0.13 -2.88 -0.06 0.00 0.00 0.00 0.00 23.12 20.05 2ytm s ALA 21 CO -0.03 0.27 0.05 -0.06 0.00 0.00 0.00 175.76 175.98 2ytm s PHE 22 N -0.88 2.54 -0.24 0.00 0.40 -1.26 -5.08 117.98 113.46 2ytm s PHE 22 Ca 0.34 -0.55 -0.12 0.00 -0.60 0.00 0.00 56.93 56.01 2ytm s PHE 22 Cb -0.22 -1.69 -0.16 0.00 0.51 0.00 0.00 43.02 41.46 2ytm s PHE 22 CO 0.24 0.40 -0.11 0.41 0.70 0.00 0.00 175.22 176.86 2ytm n GLY 23 N -1.02 -0.54 3.20 4.36 0.00 -1.26 -4.97 105.19 104.96 2ytm n GLY 23 Ca -0.04 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 2ytm n GLY 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ytm s ASP 24 N -7.09 2.45 0.24 1.61 -1.08 -1.26 -5.03 116.67 106.50 2ytm s ASP 24 Ca -0.34 -0.39 -0.08 0.00 -0.52 0.00 0.00 52.55 51.21 2ytm s ASP 24 Cb 0.11 -0.51 0.39 0.00 -1.46 0.00 0.00 42.92 41.45 2ytm s ASP 24 CO 0.57 0.21 1.64 -1.13 0.52 0.00 0.00 175.17 176.98 2ytm h ASN 25 N 5.95 -0.38 -0.73 -0.34 -0.73 -1.98 -1.00 115.58 116.37 2ytm h ASN 25 Ca -0.35 0.19 0.14 0.00 1.87 0.00 0.00 56.30 58.14 2ytm h ASN 25 Cb 1.16 0.34 -0.13 0.00 0.27 0.00 0.00 38.32 39.96 2ytm h ASN 25 CO 0.48 -0.17 -0.22 -1.20 -0.37 0.00 0.00 177.43 175.94 2ytm n SER 26 N -5.35 -0.34 0.08 1.15 7.64 -1.26 0.23 113.62 115.78 2ytm n SER 26 Ca 0.12 1.27 -0.09 0.00 1.01 0.00 0.00 58.87 61.18 2ytm n SER 26 Cb 0.43 -0.35 0.01 0.00 -1.01 0.00 0.00 64.21 63.29 2ytm n SER 26 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2ytm h SER 27 N 0.00 0.30 0.75 6.43 4.64 -1.63 -3.10 113.55 120.94 2ytm h SER 27 Ca 0.32 -0.23 -0.04 0.00 -0.47 0.00 0.00 61.79 61.37 2ytm h SER 27 Cb 0.50 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.51 2ytm h SER 27 CO -0.75 1.01 -0.37 0.00 -0.87 0.00 0.00 176.83 175.86 2ytm h THR 29 N -1.02 0.85 -0.42 0.00 1.03 -0.70 -1.71 112.91 110.95 2ytm h THR 29 Ca -0.10 -0.26 0.00 0.00 -0.01 0.00 0.00 66.41 66.04 2ytm h THR 29 Cb 0.79 0.04 -0.02 0.00 -1.07 0.00 0.00 68.15 67.89 2ytm h THR 29 CO 0.16 0.14 0.27 1.56 -0.01 0.00 0.00 175.52 177.64 2ytm h GLN 30 N 0.75 0.55 -0.85 0.00 1.08 -1.43 -2.85 115.11 112.36 2ytm h GLN 30 Ca 0.42 -0.04 0.17 0.00 -1.45 0.00 0.00 58.65 57.75 2ytm h GLN 30 Cb 0.46 -0.12 -0.16 0.00 -0.05 0.00 0.00 27.48 27.60 2ytm h GLN 30 CO -0.28 0.38 -0.23 1.25 -0.95 0.00 0.00 178.83 179.00 2ytm h HIS 31 N 0.56 -0.51 -1.14 2.96 -0.00 -0.22 0.71 115.15 117.52 2ytm h HIS 31 Ca 0.15 0.08 0.34 0.00 -0.00 0.00 0.00 60.37 60.94 2ytm h HIS 31 Cb -0.05 0.36 -0.12 0.00 -0.00 0.00 0.00 27.41 27.60 2ytm h HIS 31 CO -0.04 -0.37 0.72 1.96 -0.00 0.00 0.00 177.93 180.19 2ytm h GLN 32 N -0.01 0.26 -0.35 5.26 4.20 -1.47 -1.15 115.11 121.85 2ytm h GLN 32 Ca 0.40 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.14 2ytm h GLN 32 Cb 0.62 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.27 2ytm h GLN 32 CO -0.88 0.17 -0.53 -0.09 -0.67 0.00 0.00 178.83 176.83 2ytm h ARG 33 N 0.27 -0.39 -1.00 1.46 2.43 0.34 0.14 114.38 117.62 2ytm h ARG 33 Ca 0.71 0.03 0.19 0.00 -0.81 0.00 0.00 59.98 60.10 2ytm h ARG 33 Cb 1.94 0.09 -0.11 0.00 -0.42 0.00 0.00 29.97 31.47 2ytm h ARG 33 CO -0.41 -0.26 0.61 1.37 -1.51 0.00 0.00 179.97 179.78 2ytm h LEU 34 N -0.40 0.77 -0.67 3.80 8.10 -1.32 0.42 115.31 126.00 2ytm h LEU 34 Ca 0.06 0.10 -0.03 0.00 0.11 0.00 0.00 57.88 58.12 2ytm h LEU 34 Cb 0.58 -0.04 -0.03 0.00 -0.44 0.00 0.00 40.66 40.72 2ytm h LEU 34 CO -0.54 0.27 0.30 0.45 -4.11 0.00 0.00 178.44 174.80 2ytm h HIS 35 N 0.74 1.00 -0.95 0.17 3.86 -0.80 -2.94 115.15 116.23 2ytm h HIS 35 Ca 0.58 -0.06 0.24 0.00 -1.16 0.00 0.00 60.37 59.97 2ytm h HIS 35 Cb 0.93 -0.30 -0.17 0.00 1.06 0.00 0.00 27.41 28.92 2ytm h HIS 35 CO -0.00 0.76 -0.03 1.15 0.86 0.00 0.00 177.93 180.67 2ytm h THR 36 N 0.94 0.08 -2.13 2.45 2.02 0.14 -3.41 112.91 113.00 2ytm h THR 36 Ca 0.23 -0.01 -0.46 0.00 0.77 0.00 0.00 66.41 66.94 2ytm h THR 36 Cb 0.16 0.05 0.24 0.00 -1.74 0.00 0.00 68.15 66.86 2ytm h THR 36 CO -0.02 0.00 -1.28 0.61 0.37 0.00 0.00 175.52 175.20 2ytm n GLY 37 N -1.50 -2.56 0.37 2.16 0.00 -1.11 -4.87 105.19 97.67 2ytm n GLY 37 Ca 0.20 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 2ytm n GLY 37 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2ytm h GLN 38 N -1.97 -0.44 -5.47 1.61 4.20 -1.87 -3.47 115.11 107.70 2ytm h GLN 38 Ca -0.52 0.03 -0.29 0.00 0.06 0.00 0.00 58.65 57.93 2ytm h GLN 38 Cb 1.36 0.10 0.18 0.00 0.30 0.00 0.00 27.48 29.42 2ytm h GLN 38 CO 0.36 -0.29 -0.78 0.54 -0.67 0.00 0.00 178.83 178.00 2ytm n ARG 39 N -5.43 -4.80 -2.24 1.46 5.12 -1.26 -4.95 116.66 104.57 2ytm n ARG 39 Ca -0.04 0.83 -0.41 0.00 -1.93 0.00 0.00 57.85 56.30 2ytm n ARG 39 Cb 0.35 -5.74 -0.03 0.00 -1.16 0.00 0.00 32.46 25.88 2ytm n ARG 39 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2ytm s PRO 40 N -4.94 4.43 0.11 5.56 0.04 -1.26 -4.95 135.00 133.98 2ytm s PRO 40 Ca 0.17 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 62.98 2ytm s PRO 40 Cb -0.02 -3.16 -0.09 0.00 0.04 0.00 0.00 34.50 31.27 2ytm s PRO 40 CO 0.71 -0.15 1.47 0.77 0.04 0.00 0.00 177.00 179.84 2ytm h SER 41 N 4.53 -1.62 -1.69 6.66 0.02 -2.05 -3.47 113.55 115.94 2ytm h SER 41 Ca -0.46 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2ytm h SER 41 Cb 1.22 0.67 0.00 0.00 0.14 0.00 0.00 62.40 64.43 2ytm h SER 41 CO 0.72 -0.33 0.00 0.61 -1.14 0.00 0.00 176.83 176.69 2ytm n GLY 42 N -1.31 4.02 3.65 -3.77 0.00 -1.26 -5.16 105.19 101.36 2ytm n GLY 42 Ca -0.03 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 2ytm n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ytm s PRO 43 N -2.81 -0.20 0.27 1.61 0.04 -1.26 -5.03 135.00 127.61 2ytm s PRO 43 Ca 0.00 0.30 -0.15 0.00 0.04 0.00 0.00 61.00 61.19 2ytm s PRO 43 Cb 0.00 -1.68 -0.08 0.00 0.04 0.00 0.00 34.50 32.78 2ytm s PRO 43 CO 0.00 -3.11 0.67 -1.54 0.04 0.00 0.00 177.00 173.06 2ytm s SER 44 N -3.60 6.80 0.52 6.66 1.04 -1.26 -5.01 113.70 118.84 2ytm s SER 44 Ca 0.67 1.20 -0.18 0.00 0.48 0.00 0.00 55.95 58.13 2ytm s SER 44 Cb -0.16 -2.34 -0.14 0.00 0.10 0.00 0.00 66.02 63.49 2ytm s SER 44 CO 0.57 -0.10 0.02 -0.24 0.98 0.00 0.00 173.24 174.46 2ytm n SER 45 N -0.00 -3.10 0.00 7.02 2.88 -1.26 -5.35 113.62 113.81 2ytm n SER 45 Ca 0.01 0.67 0.00 0.00 -1.33 0.00 0.00 58.87 58.22 2ytm n SER 45 Cb 0.52 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 2ytm n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42