#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2emp s SER 2 N 0.00 -0.11 -0.16 1.61 1.04 -1.26 -5.08 113.70 109.74 2emp s SER 2 Ca 0.00 -0.36 -0.18 0.00 0.48 0.00 0.00 55.95 55.89 2emp s SER 2 Cb 0.00 0.41 -0.15 0.00 0.10 0.00 0.00 66.02 66.38 2emp s SER 2 CO 0.00 -0.75 0.27 0.28 0.98 0.00 0.00 173.24 174.02 2emp h SER 3 N 2.70 0.00 0.00 7.02 0.02 -2.13 -3.48 113.55 117.68 2emp h SER 3 Ca -0.33 -0.47 0.00 0.00 -0.84 0.00 0.00 61.79 60.14 2emp h SER 3 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2emp h SER 3 CO 0.49 1.04 0.00 0.61 -1.14 0.00 0.00 176.83 177.83 2emp n GLY 4 N 1.58 1.37 3.06 -3.77 0.00 -1.26 -4.68 105.19 101.50 2emp n GLY 4 Ca -0.15 0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 2emp n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2emp s SER 5 N -4.00 1.18 -0.00 1.61 0.01 -1.26 -5.06 113.70 106.18 2emp s SER 5 Ca 0.00 -0.32 -0.25 0.00 1.31 0.00 0.00 55.95 56.69 2emp s SER 5 Cb 0.00 -0.08 -0.18 0.00 0.21 0.00 0.00 66.02 65.96 2emp s SER 5 CO 0.00 0.03 1.31 0.28 0.41 0.00 0.00 173.24 175.26 2emp h SER 6 N 5.36 -0.09 -1.40 2.44 0.02 -2.04 -3.43 113.55 114.40 2emp h SER 6 Ca -0.34 -0.34 -0.10 0.00 -0.84 0.00 0.00 61.79 60.17 2emp h SER 6 Cb 1.18 0.02 -0.25 0.00 0.14 0.00 0.00 62.40 63.50 2emp h SER 6 CO 0.46 0.30 -0.47 -0.83 -1.14 0.00 0.00 176.83 175.15 2emp s GLY 7 N -2.94 -0.87 -0.05 -3.77 0.00 -1.26 -5.14 107.32 93.30 2emp s GLY 7 Ca -0.15 0.53 0.05 0.00 0.00 0.00 0.00 44.72 45.15 2emp s GLY 7 CO 0.63 3.32 -0.20 -1.59 0.00 0.00 0.00 173.10 175.27 2emp s THR 8 N 2.61 1.64 0.00 0.90 2.01 -1.26 -5.14 115.64 116.40 2emp s THR 8 Ca 0.10 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.27 2emp s THR 8 Cb -0.11 -1.40 0.00 0.00 0.01 0.00 0.00 72.50 70.99 2emp s THR 8 CO -0.27 0.47 0.00 0.61 -0.69 0.00 0.00 174.62 174.73 2emp n GLY 9 N 3.08 -1.96 2.58 4.40 0.00 -1.26 -5.07 105.19 106.97 2emp n GLY 9 Ca -0.18 -1.50 -0.27 0.00 0.00 0.00 0.00 46.02 44.07 2emp n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2emp s VAL 10 N -0.75 -0.09 -0.67 1.61 0.11 -1.26 -5.08 120.40 114.27 2emp s VAL 10 Ca 0.00 -0.44 -0.00 0.00 -2.93 0.00 0.00 61.98 58.60 2emp s VAL 10 Cb 0.00 -0.77 0.17 0.00 -1.53 0.00 0.00 36.38 34.25 2emp s VAL 10 CO 0.00 -0.49 0.48 -0.54 -3.33 0.00 0.00 175.10 171.22 2emp s LYS 11 N 2.13 2.58 0.37 1.54 1.02 -1.26 -4.91 119.74 121.21 2emp s LYS 11 Ca 0.05 -2.80 0.16 0.00 0.02 0.00 0.00 55.97 53.40 2emp s LYS 11 Cb -0.16 -3.66 0.73 0.00 -0.52 0.00 0.00 37.83 34.22 2emp s LYS 11 CO -0.22 -1.19 1.78 -1.00 -0.92 0.00 0.00 175.35 173.79 2emp h PRO 12 N 6.52 0.00 -6.04 -1.68 0.13 -1.95 -3.39 132.00 125.58 2emp h PRO 12 Ca 0.03 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.55 2emp h PRO 12 Cb 0.89 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.91 2emp h PRO 12 CO 0.73 0.39 1.47 0.71 -0.23 0.00 0.00 178.00 181.07 2emp s TYR 13 N -3.87 2.57 -0.03 1.56 2.02 -1.26 -4.95 117.35 113.39 2emp s TYR 13 Ca -0.01 -0.89 0.03 0.00 -0.37 0.00 0.00 57.07 55.83 2emp s TYR 13 Cb 0.13 -4.67 -0.00 0.00 -0.40 0.00 0.00 41.96 37.01 2emp s TYR 13 CO 0.70 -1.91 -0.12 -1.64 -1.57 0.00 0.00 175.55 171.02 2emp s MET 14 N 4.82 1.19 -0.20 -0.62 -1.94 -1.26 -0.10 119.30 121.19 2emp s MET 14 Ca 0.45 -0.41 -0.16 0.00 -1.71 0.00 0.00 55.69 53.86 2emp s MET 14 Cb -0.00 -1.09 -0.04 0.00 2.01 0.00 0.00 34.83 35.71 2emp s MET 14 CO -0.10 0.17 0.42 0.00 -0.01 0.00 0.00 175.02 175.50 2emp n ASN 16 N 4.51 0.72 -0.20 0.00 2.85 -1.26 -1.11 115.26 120.77 2emp n ASN 16 Ca -0.08 0.30 0.14 0.00 -0.11 0.00 0.00 54.58 54.84 2emp n ASN 16 Cb 0.51 0.47 0.46 0.00 1.24 0.00 0.00 39.78 42.46 2emp n ASN 16 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 2emp h GLU 17 N 0.00 0.49 0.00 1.20 3.07 -1.99 -3.36 114.58 113.98 2emp h GLU 17 Ca -0.13 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.70 2emp h GLU 17 Cb 1.43 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.23 2emp h GLU 17 CO 0.03 0.32 -0.38 0.00 -1.40 0.00 0.00 179.01 177.58 2emp n GLY 19 N 2.16 0.70 2.79 0.00 0.00 -0.26 -5.10 105.19 105.48 2emp n GLY 19 Ca 0.00 -0.67 -0.15 0.00 0.00 0.00 0.00 46.02 45.20 2emp n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2emp s LYS 20 N -0.29 -0.02 0.07 1.61 1.02 -1.01 -4.94 119.74 116.18 2emp s LYS 20 Ca 0.00 0.22 -0.05 0.00 0.02 0.00 0.00 55.97 56.16 2emp s LYS 20 Cb 0.00 -0.24 -0.05 0.00 -0.52 0.00 0.00 37.83 37.02 2emp s LYS 20 CO 0.00 -0.17 0.30 0.00 -0.92 0.00 0.00 175.35 174.56 2emp s ALA 21 N 1.11 3.85 0.03 5.17 0.00 -1.26 -0.21 121.76 130.44 2emp s ALA 21 Ca -0.09 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.28 2emp s ALA 21 Cb -0.13 -2.06 -0.02 0.00 0.00 0.00 0.00 23.12 20.91 2emp s ALA 21 CO -0.03 0.68 -0.05 -0.06 0.00 0.00 0.00 175.76 176.30 2emp s PHE 22 N -1.46 0.42 -0.08 0.00 0.40 0.85 -4.99 117.98 113.12 2emp s PHE 22 Ca 0.34 -0.45 0.14 0.00 -0.60 0.00 0.00 56.93 56.36 2emp s PHE 22 Cb -0.13 -0.27 -0.11 0.00 0.51 0.00 0.00 43.02 43.02 2emp s PHE 22 CO 0.21 -0.12 1.03 0.66 0.70 0.00 0.00 175.22 177.70 2emp h SER 23 N 4.79 0.00 -3.85 1.36 4.64 -1.97 -3.36 113.55 115.15 2emp h SER 23 Ca -0.33 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.31 2emp h SER 23 Cb 1.21 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.05 2emp h SER 23 CO 0.42 0.69 -0.77 -0.69 -0.87 0.00 0.00 176.83 175.61 2emp s VAL 24 N -2.85 3.03 0.40 0.95 1.01 -1.26 -4.96 120.40 116.72 2emp s VAL 24 Ca -0.01 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.33 2emp s VAL 24 Cb 0.08 -2.20 0.28 0.00 0.00 0.00 0.00 36.38 34.54 2emp s VAL 24 CO 0.80 0.57 2.03 0.22 0.00 0.00 0.00 175.10 178.72 2emp h TYR 25 N 5.72 0.55 -0.68 5.22 3.20 -1.97 -2.02 116.97 126.99 2emp h TYR 25 Ca -0.41 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.47 2emp h TYR 25 Cb 1.17 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 39.22 2emp h TYR 25 CO 0.50 0.33 0.40 1.03 -1.64 0.00 0.00 178.16 178.78 2emp h SER 26 N 0.58 0.83 0.24 -2.11 0.87 -1.99 -1.33 113.55 110.64 2emp h SER 26 Ca 0.20 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 2emp h SER 26 Cb 0.07 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 61.82 2emp h SER 26 CO -0.05 0.65 -0.05 -1.28 -0.53 0.00 0.00 176.83 175.58 2emp h SER 27 N 0.93 0.00 0.19 6.23 0.87 -1.79 0.04 113.55 120.02 2emp h SER 27 Ca 0.24 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.54 2emp h SER 27 Cb -0.02 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 61.97 2emp h SER 27 CO -0.04 0.05 -1.18 0.25 -0.53 0.00 0.00 176.83 175.38 2emp h LEU 28 N 0.00 0.62 -0.77 2.23 5.85 -1.17 -2.87 115.31 119.20 2emp h LEU 28 Ca -0.00 -0.93 -0.03 0.00 0.84 0.00 0.00 57.88 57.76 2emp h LEU 28 Cb 0.18 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 2emp h LEU 28 CO 0.01 1.56 -0.15 0.00 -0.34 0.00 0.00 178.44 179.51 2emp h THR 29 N -0.14 0.32 0.12 1.05 1.03 -0.89 -0.63 112.91 113.77 2emp h THR 29 Ca -0.21 -1.09 -0.28 0.00 -0.01 0.00 0.00 66.41 64.82 2emp h THR 29 Cb 1.88 1.85 0.00 0.00 -1.07 0.00 0.00 68.15 70.82 2emp h THR 29 CO 0.19 0.15 -1.28 0.74 -0.01 0.00 0.00 175.52 175.31 2emp h THR 30 N 0.00 1.46 0.00 0.00 2.02 -1.08 -3.31 112.91 112.00 2emp h THR 30 Ca -0.00 -3.04 -0.08 0.00 0.77 0.00 0.00 66.41 64.05 2emp h THR 30 Cb 0.84 2.92 -0.01 0.00 -1.74 0.00 0.00 68.15 70.15 2emp h THR 30 CO 0.02 0.88 -0.46 -0.74 0.37 0.00 0.00 175.52 175.59 2emp h HIS 31 N 0.07 0.00 -0.06 3.16 -0.00 -1.45 -3.31 115.15 113.56 2emp h HIS 31 Ca -0.14 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.24 2emp h HIS 31 Cb 1.97 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 29.38 2emp h HIS 31 CO 0.06 1.15 0.67 1.96 -0.00 0.00 0.00 177.93 181.77 2emp h GLN 32 N -1.00 0.00 0.00 5.26 1.08 -1.28 0.22 115.11 119.40 2emp h GLN 32 Ca -0.13 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 2emp h GLN 32 Cb 1.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.52 2emp h GLN 32 CO -0.08 0.00 0.23 -0.24 -0.95 0.00 0.00 178.83 177.80 2emp h VAL 33 N 0.00 0.00 0.00 -0.54 3.04 -1.65 0.48 116.25 117.58 2emp h VAL 33 Ca 0.03 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 65.63 2emp h VAL 33 Cb 1.36 0.61 -0.01 0.00 -2.01 0.00 0.00 31.29 31.23 2emp h VAL 33 CO -0.00 0.00 -0.40 0.16 -1.01 0.00 0.00 177.57 176.32 2emp h ILE 34 N 0.00 0.69 0.01 3.17 3.07 -0.82 -3.26 117.51 120.37 2emp h ILE 34 Ca 0.00 -1.97 -0.35 0.00 1.55 0.00 0.00 64.86 64.09 2emp h ILE 34 Cb 0.47 2.34 -0.06 0.00 -0.27 0.00 0.00 36.82 39.30 2emp h ILE 34 CO 0.00 0.39 -2.17 1.41 -1.05 0.00 0.00 178.15 176.73 2emp n HIS 35 N -3.20 0.41 -3.88 0.16 8.25 0.16 -4.68 115.22 112.44 2emp n HIS 35 Ca 0.02 0.13 -0.28 0.00 -0.26 0.00 0.00 57.72 57.34 2emp n HIS 35 Cb 0.69 -1.07 -0.12 0.00 1.12 0.00 0.00 29.99 30.61 2emp n HIS 35 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2emp n THR 36 N -2.99 1.60 -1.64 1.59 5.66 -0.33 -5.05 114.28 113.12 2emp n THR 36 Ca -0.30 -4.85 0.00 0.00 -3.05 0.00 0.00 64.05 55.85 2emp n THR 36 Cb 1.09 -2.18 0.00 0.00 -1.55 0.00 0.00 70.33 67.70 2emp n THR 36 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2emp n GLY 37 N 1.95 4.68 3.54 1.09 0.00 -1.23 -4.65 105.19 110.57 2emp n GLY 37 Ca 0.20 -1.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.30 2emp n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2emp s GLU 38 N 2.59 0.83 -0.08 1.61 2.12 -1.26 -5.15 118.70 119.37 2emp s GLU 38 Ca 0.00 0.11 -0.13 0.00 0.36 0.00 0.00 54.97 55.32 2emp s GLU 38 Cb 0.00 0.39 0.03 0.00 0.26 0.00 0.00 34.13 34.81 2emp s GLU 38 CO 0.00 -0.28 0.32 -1.59 -0.54 0.00 0.00 175.26 173.17 2emp s LYS 39 N -1.48 0.49 -0.01 4.30 0.00 -1.26 -5.07 119.74 116.72 2emp s LYS 39 Ca -0.05 0.20 -0.25 0.00 0.00 0.00 0.00 55.97 55.87 2emp s LYS 39 Cb -0.00 0.23 -0.19 0.00 0.00 0.00 0.00 37.83 37.86 2emp s LYS 39 CO 0.03 -0.10 1.29 -1.00 0.00 0.00 0.00 175.35 175.57 2emp h PRO 40 N 4.94 0.08 -3.54 1.78 0.13 -2.04 -3.48 132.00 129.87 2emp h PRO 40 Ca -0.28 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.77 2emp h PRO 40 Cb 1.18 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.23 2emp h PRO 40 CO 0.34 0.54 -0.05 -1.12 -0.23 0.00 0.00 178.00 177.48 2emp s SER 41 N -5.78 -0.08 0.00 1.44 0.01 -1.26 -5.17 113.70 102.86 2emp s SER 41 Ca -0.16 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.20 2emp s SER 41 Cb 0.02 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.88 2emp s SER 41 CO 0.69 -1.20 0.00 0.61 0.41 0.00 0.00 173.24 173.75 2emp n GLY 42 N -0.41 2.82 3.74 3.44 0.00 -1.26 -5.10 105.19 108.43 2emp n GLY 42 Ca -0.02 -2.05 -0.30 0.00 0.00 0.00 0.00 46.02 43.65 2emp n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2emp s PRO 43 N -2.19 1.80 -1.08 1.61 0.04 -1.26 -4.97 135.00 128.95 2emp s PRO 43 Ca 0.00 1.01 -0.12 0.00 0.04 0.00 0.00 61.00 61.93 2emp s PRO 43 Cb 0.00 -1.86 0.22 0.00 0.04 0.00 0.00 34.50 32.91 2emp s PRO 43 CO 0.00 -1.92 1.15 0.45 0.04 0.00 0.00 177.00 176.72 2emp s SER 44 N -3.40 7.10 0.15 6.66 0.15 -1.26 -5.00 113.70 118.10 2emp s SER 44 Ca 0.62 -3.13 0.10 0.00 0.70 0.00 0.00 55.95 54.24 2emp s SER 44 Cb -0.18 -2.28 -0.04 0.00 -1.71 0.00 0.00 66.02 61.81 2emp s SER 44 CO 0.56 -0.54 -0.22 -0.55 1.20 0.00 0.00 173.24 173.69 2emp s SER 45 N 2.11 3.03 0.00 5.45 0.15 -1.26 -5.35 113.70 117.83 2emp s SER 45 Ca 0.32 -0.80 0.20 0.00 0.70 0.00 0.00 55.95 56.37 2emp s SER 45 Cb -0.07 -0.20 0.16 0.00 -1.71 0.00 0.00 66.02 64.20 2emp s SER 45 CO -0.06 0.08 1.15 0.61 1.20 0.00 0.00 173.24 176.22