#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrj n ASN 11 N 0.00 6.02 0.09 4.31 4.13 -1.26 -4.67 115.26 123.88 2jrj n ASN 11 Ca 0.00 -3.77 -0.06 0.00 1.68 0.00 0.00 54.58 52.44 2jrj n ASN 11 Cb 0.00 -0.59 -0.02 0.00 -1.54 0.00 0.00 39.78 37.63 2jrj n ASN 11 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 2jrj h VAL 12 N 1.73 1.60 0.00 2.41 3.04 -2.03 -3.14 116.25 119.87 2jrj h VAL 12 Ca 0.46 -2.93 0.00 0.00 -1.01 0.00 0.00 66.70 63.23 2jrj h VAL 12 Cb 1.24 2.60 0.00 0.00 -2.01 0.00 0.00 31.29 33.11 2jrj h VAL 12 CO 1.09 0.84 -0.12 0.28 -1.01 0.00 0.00 177.57 178.65 2jrj h SER 13 N 0.02 0.00 -3.18 3.17 0.02 -1.93 -3.44 113.55 108.20 2jrj h SER 13 Ca -0.02 -0.02 -0.57 0.00 -0.84 0.00 0.00 61.79 60.34 2jrj h SER 13 Cb 1.54 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.04 2jrj h SER 13 CO 0.12 0.01 0.67 -1.10 -1.14 0.00 0.00 176.83 175.39 2jrj s GLN 14 N -3.17 4.35 0.09 3.45 -0.21 -1.19 -4.99 119.66 117.99 2jrj s GLN 14 Ca 0.08 1.38 -0.31 0.00 0.02 0.00 0.00 55.36 56.53 2jrj s GLN 14 Cb 0.09 -3.59 -0.09 0.00 1.00 0.00 0.00 33.01 30.43 2jrj s GLN 14 CO 0.65 -0.46 1.73 -0.65 -2.12 0.00 0.00 175.29 174.44 2jrj s GLN 15 N 2.56 4.17 0.13 2.91 -0.21 -1.26 -4.98 119.66 122.97 2jrj s GLN 15 Ca 0.46 2.44 -0.10 0.00 0.02 0.00 0.00 55.36 58.19 2jrj s GLN 15 Cb -0.17 -3.63 0.00 0.00 1.00 0.00 0.00 33.01 30.22 2jrj s GLN 15 CO 0.12 -0.79 0.27 0.54 -2.12 0.00 0.00 175.29 173.31 2jrj s ASN 16 N 2.62 0.03 -0.42 5.90 2.20 -1.26 -3.64 114.94 120.37 2jrj s ASN 16 Ca 0.77 -0.68 -0.16 0.00 -0.94 0.00 0.00 52.86 51.86 2jrj s ASN 16 Cb -0.42 0.40 0.03 0.00 -2.00 0.00 0.00 41.25 39.26 2jrj s ASN 16 CO 0.34 -0.82 0.35 0.00 -2.94 0.00 0.00 177.10 174.03 2jrj h PRO 18 N 8.68 0.00 0.00 0.00 0.13 -1.95 0.25 132.00 139.10 2jrj h PRO 18 Ca -0.27 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.85 2jrj h PRO 18 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 2jrj h PRO 18 CO 0.77 0.00 -0.03 0.82 -0.23 0.00 0.00 178.00 179.33 2jrj h ILE 19 N 0.00 0.61 0.00 -3.56 1.08 -1.95 -3.30 117.51 110.39 2jrj h ILE 19 Ca 0.00 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 2jrj h ILE 19 Cb 0.59 1.08 0.00 0.00 -3.07 0.00 0.00 36.82 35.42 2jrj h ILE 19 CO 0.00 0.03 -0.07 0.00 -0.69 0.00 0.00 178.15 177.42 2jrj n LEU 21 N 0.00 -2.91 -4.72 0.00 4.77 0.81 -4.99 117.00 109.96 2jrj n LEU 21 Ca 0.00 -0.66 -0.30 0.00 -0.03 0.00 0.00 56.01 55.02 2jrj n LEU 21 Cb 0.53 -2.77 -0.08 0.00 -2.33 0.00 0.00 43.42 38.77 2jrj n LEU 21 CO 0.00 0.55 -0.23 -1.61 -1.33 0.00 0.00 177.39 174.77 2jrj s GLU 22 N -6.48 2.12 0.65 3.23 0.41 -0.75 -4.93 118.70 112.96 2jrj s GLU 22 Ca 0.63 -2.19 -0.16 0.00 -0.41 0.00 0.00 54.97 52.84 2jrj s GLU 22 Cb -0.30 -1.68 -0.00 0.00 -1.78 0.00 0.00 34.13 30.37 2jrj s GLU 22 CO 0.78 -0.24 1.14 0.34 -0.49 0.00 0.00 175.26 176.79 2jrj s ASP 23 N -3.86 5.01 -0.09 -0.19 2.15 -1.26 -0.07 116.67 118.36 2jrj s ASP 23 Ca 0.23 2.15 -0.20 0.00 0.43 0.00 0.00 52.55 55.16 2jrj s ASP 23 Cb 0.05 -2.57 0.04 0.00 -0.30 0.00 0.00 42.92 40.14 2jrj s ASP 23 CO 0.12 -1.70 0.48 -0.63 -0.17 0.00 0.00 175.17 173.27 2jrj s ILE 24 N -2.10 0.02 0.01 4.11 1.01 -1.24 -4.38 121.20 118.63 2jrj s ILE 24 Ca 0.71 -0.17 -0.00 0.00 0.00 0.00 0.00 60.65 61.18 2jrj s ILE 24 Cb -0.24 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.49 2jrj s ILE 24 CO 0.39 -0.09 0.01 1.41 0.00 0.00 0.00 174.94 176.65 2jrj n HIS 25 N 1.77 -0.48 0.28 3.97 8.25 -1.26 -4.28 115.22 123.47 2jrj n HIS 25 Ca -0.18 -0.03 0.17 0.00 -0.26 0.00 0.00 57.72 57.41 2jrj n HIS 25 Cb 0.56 0.01 0.83 0.00 1.12 0.00 0.00 29.99 32.51 2jrj n HIS 25 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 2jrj h THR 26 N 1.01 0.00 -1.35 1.59 1.35 -1.99 -3.43 112.91 110.10 2jrj h THR 26 Ca -0.00 -0.11 -0.44 0.00 -0.55 0.00 0.00 66.41 65.30 2jrj h THR 26 Cb 0.02 0.90 -0.00 0.00 -1.73 0.00 0.00 68.15 67.34 2jrj h THR 26 CO 0.01 0.00 1.58 -1.20 -0.25 0.00 0.00 175.52 175.65 2jrj n SER 27 N -2.69 2.03 0.16 5.36 7.64 -1.26 -4.78 113.62 120.08 2jrj n SER 27 Ca -0.01 -0.49 0.02 0.00 1.01 0.00 0.00 58.87 59.40 2jrj n SER 27 Cb 0.12 -1.51 0.25 0.00 -1.01 0.00 0.00 64.21 62.06 2jrj n SER 27 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2jrj h ARG 28 N 18.41 0.00 -0.68 1.43 -0.00 -1.82 0.27 114.38 131.99 2jrj h ARG 28 Ca -0.20 0.00 -0.04 0.00 -0.50 0.00 0.00 59.98 59.24 2jrj h ARG 28 Cb 1.26 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 31.20 2jrj h ARG 28 CO 1.18 0.51 0.29 0.28 0.00 0.00 0.00 179.97 182.22 2jrj h VAL 29 N 0.00 1.23 0.00 2.04 2.07 -1.97 -3.23 116.25 116.39 2jrj h VAL 29 Ca -0.01 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2jrj h VAL 29 Cb 0.97 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2jrj h VAL 29 CO 0.07 0.29 -0.09 0.58 0.02 0.00 0.00 177.57 178.44 2jrj h VAL 30 N 0.98 0.00 -2.48 2.57 2.07 -1.90 -3.43 116.25 114.07 2jrj h VAL 30 Ca 0.23 -0.74 -0.61 0.00 0.82 0.00 0.00 66.70 66.41 2jrj h VAL 30 Cb 0.17 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.81 2jrj h VAL 30 CO -0.02 0.00 0.75 0.00 0.02 0.00 0.00 177.57 178.32 2jrj s ALA 31 N -2.70 3.02 0.46 1.67 0.00 0.95 -2.86 121.76 122.29 2jrj s ALA 31 Ca -0.02 -1.81 -0.25 0.00 0.00 0.00 0.00 51.96 49.87 2jrj s ALA 31 Cb 0.00 -4.01 -0.08 0.00 0.00 0.00 0.00 23.12 19.03 2jrj s ALA 31 CO 0.04 -2.97 1.38 -1.58 0.00 0.00 0.00 175.76 172.63 2jrj s HIS 32 N 4.44 2.52 -0.34 0.00 2.46 0.31 -4.18 115.29 120.50 2jrj s HIS 32 Ca 0.27 1.32 -0.23 0.00 0.47 0.00 0.00 55.06 56.89 2jrj s HIS 32 Cb -0.13 -3.83 0.01 0.00 -0.13 0.00 0.00 32.58 28.49 2jrj s HIS 32 CO 0.09 -2.72 0.79 0.08 -2.47 0.00 0.00 174.74 170.52 2jrj s VAL 33 N -1.24 4.75 0.61 0.89 1.01 -1.26 -1.39 120.40 123.77 2jrj s VAL 33 Ca 0.62 1.03 -0.18 0.00 0.00 0.00 0.00 61.98 63.45 2jrj s VAL 33 Cb -0.42 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 31.75 2jrj s VAL 33 CO 0.53 -0.36 1.16 -0.76 0.00 0.00 0.00 175.10 175.67 2jrj s LEU 34 N 3.06 3.58 0.60 3.92 1.43 0.15 -4.91 118.68 126.51 2jrj s LEU 34 Ca 0.32 2.22 0.39 0.00 -1.03 0.00 0.00 54.13 56.03 2jrj s LEU 34 Cb -0.13 -4.58 2.12 0.00 0.03 0.00 0.00 46.19 43.62 2jrj s LEU 34 CO 0.15 -1.57 2.19 -0.65 0.23 0.00 0.00 176.35 176.70 2jrj h PRO 35 N 0.62 0.00 -0.62 1.29 0.11 -1.97 -0.58 132.00 130.85 2jrj h PRO 35 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2jrj h PRO 35 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2jrj h PRO 35 CO 0.55 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.34 2jrj n GLY 37 N 0.81 0.44 3.88 0.00 0.00 -0.23 -5.02 105.19 105.07 2jrj n GLY 37 Ca 0.27 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 2jrj n GLY 37 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jrj s HIS 38 N -2.00 3.29 -0.09 1.61 3.76 -1.25 -4.88 115.29 115.73 2jrj s HIS 38 Ca 0.00 -0.01 -0.01 0.00 -0.15 0.00 0.00 55.06 54.89 2jrj s HIS 38 Cb 0.00 -1.54 -0.03 0.00 1.11 0.00 0.00 32.58 32.12 2jrj s HIS 38 CO 0.00 0.50 -0.03 -0.51 -0.85 0.00 0.00 174.74 173.85 2jrj s LEU 39 N -3.53 3.37 -0.26 0.89 1.43 -1.26 0.32 118.68 119.65 2jrj s LEU 39 Ca 0.33 0.04 -0.23 0.00 -1.03 0.00 0.00 54.13 53.24 2jrj s LEU 39 Cb -0.09 -1.76 0.07 0.00 0.03 0.00 0.00 46.19 44.43 2jrj s LEU 39 CO 0.26 0.34 0.68 -1.48 0.23 0.00 0.00 176.35 176.38 2jrj s LEU 40 N -0.67 -0.63 1.02 1.79 0.05 -0.49 -4.92 118.68 114.83 2jrj s LEU 40 Ca 0.10 1.38 -0.13 0.00 0.05 0.00 0.00 54.13 55.54 2jrj s LEU 40 Cb -0.12 2.33 0.14 0.00 -2.05 0.00 0.00 46.19 46.49 2jrj s LEU 40 CO 0.02 -0.24 0.72 0.00 -0.55 0.00 0.00 176.35 176.30 2jrj n HIS 41 N 2.89 -0.65 -0.14 3.48 -0.00 -1.25 0.12 115.22 119.66 2jrj n HIS 41 Ca -0.15 0.19 -0.07 0.00 -0.00 0.00 0.00 57.72 57.70 2jrj n HIS 41 Cb 0.56 -1.80 -0.05 0.00 -0.00 0.00 0.00 29.99 28.69 2jrj n HIS 41 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2jrj h ARG 42 N -2.01 -0.11 -0.38 -1.40 2.47 -1.86 0.33 114.38 111.42 2jrj h ARG 42 Ca -0.49 0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.28 2jrj h ARG 42 Cb 1.30 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 29.60 2jrj h ARG 42 CO 0.40 -0.07 0.13 1.79 0.56 0.00 0.00 179.97 182.78 2jrj h THR 43 N -0.11 0.88 0.00 2.04 1.35 -1.92 -0.56 112.91 114.58 2jrj h THR 43 Ca 0.06 -0.10 -0.02 0.00 -0.55 0.00 0.00 66.41 65.80 2jrj h THR 43 Cb 0.27 0.57 -0.00 0.00 -1.73 0.00 0.00 68.15 67.26 2jrj h THR 43 CO -0.40 0.05 -0.09 0.00 -0.25 0.00 0.00 175.52 174.84 2jrj h TYR 45 N 0.00 -0.23 -0.43 0.00 3.20 0.12 -1.85 116.97 117.79 2jrj h TYR 45 Ca -0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2jrj h TYR 45 Cb 0.17 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 2jrj h TYR 45 CO 0.00 0.15 0.21 0.93 -1.64 0.00 0.00 178.16 177.81 2jrj h GLU 46 N -0.68 0.61 0.45 1.82 5.08 -0.79 -1.17 114.58 119.90 2jrj h GLU 46 Ca -0.02 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 2jrj h GLU 46 Cb 0.48 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2jrj h GLU 46 CO 0.04 0.52 -0.22 0.93 -1.00 0.00 0.00 179.01 179.28 2jrj h GLU 47 N 0.55 -0.59 -0.93 2.33 4.39 -0.99 0.56 114.58 119.89 2jrj h GLU 47 Ca 0.15 0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.92 2jrj h GLU 47 Cb 0.11 0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 28.84 2jrj h GLU 47 CO -0.02 -0.39 0.61 1.98 -1.16 0.00 0.00 179.01 180.03 2jrj h MET 48 N -0.61 1.16 0.00 2.33 4.05 -1.23 -0.91 114.93 119.71 2jrj h MET 48 Ca -0.06 -0.07 -0.17 0.00 -0.28 0.00 0.00 59.70 59.12 2jrj h MET 48 Cb 0.48 -0.26 -0.02 0.00 -0.80 0.00 0.00 31.60 30.99 2jrj h MET 48 CO 0.10 0.77 -0.79 1.25 0.23 0.00 0.00 176.91 178.47 2jrj h LEU 49 N 1.19 0.00 0.08 3.39 5.85 -1.09 0.34 115.31 125.08 2jrj h LEU 49 Ca 0.37 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.08 2jrj h LEU 49 Cb -0.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.00 2jrj h LEU 49 CO -0.11 0.79 -0.04 0.50 -0.34 0.00 0.00 178.44 179.23 2jrj h LYS 50 N 0.00 -0.11 -0.04 1.25 3.64 0.12 -2.81 116.57 118.62 2jrj h LYS 50 Ca -0.01 0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 2jrj h LYS 50 Cb 1.40 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.23 2jrj h LYS 50 CO 0.10 0.17 -0.56 0.93 -2.27 0.00 0.00 179.45 177.83 2jrj h GLU 51 N -0.39 0.13 -4.90 1.90 3.07 -1.26 -3.48 114.58 109.66 2jrj h GLU 51 Ca -0.01 -0.08 -0.35 0.00 -0.50 0.00 0.00 59.36 58.41 2jrj h GLU 51 Cb 0.33 0.01 0.10 0.00 -0.84 0.00 0.00 28.75 28.35 2jrj h GLU 51 CO 0.02 0.65 -0.58 0.41 -1.40 0.00 0.00 179.01 178.11 2jrj n GLY 52 N 0.12 -0.37 2.37 -3.84 0.00 0.12 -5.01 105.19 98.58 2jrj n GLY 52 Ca -0.02 0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 2jrj n GLY 52 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2jrj n TYR 53 N -4.62 -3.42 -2.54 1.61 4.11 -1.20 -5.03 117.16 106.07 2jrj n TYR 53 Ca -0.02 -0.95 -0.37 0.00 -0.00 0.00 0.00 57.90 56.55 2jrj n TYR 53 Cb 0.57 -0.51 -0.04 0.00 -0.00 0.00 0.00 39.34 39.36 2jrj n TYR 53 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.86 175.88 2jrj s ARG 54 N -4.30 4.27 -0.53 -3.48 3.03 -1.26 -4.98 118.95 111.70 2jrj s ARG 54 Ca 0.42 1.56 -0.26 0.00 2.03 0.00 0.00 55.73 59.49 2jrj s ARG 54 Cb -0.02 -2.68 0.03 0.00 -1.03 0.00 0.00 34.95 31.26 2jrj s ARG 54 CO 0.29 -0.06 1.01 0.00 -1.13 0.00 0.00 175.30 175.40 2jrj n PRO 56 N 7.64 0.14 0.00 0.00 -0.04 -1.26 -1.83 135.00 139.64 2jrj n PRO 56 Ca 0.05 0.44 0.11 0.00 -0.04 0.00 0.00 63.50 64.06 2jrj n PRO 56 Cb 0.48 -1.80 0.54 0.00 -0.04 0.00 0.00 33.50 32.69 2jrj n PRO 56 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2jrj n LEU 57 N -2.06 0.00 0.19 1.53 4.32 -1.26 -1.79 117.00 117.93 2jrj n LEU 57 Ca 0.01 0.34 0.07 0.00 -0.02 0.00 0.00 56.01 56.41 2jrj n LEU 57 Cb 0.16 -0.34 0.33 0.00 -1.62 0.00 0.00 43.42 41.95 2jrj n LEU 57 CO 0.15 -0.08 0.70 0.00 -1.22 0.00 0.00 177.39 176.93 2jrj h MET 59 N 0.00 0.08 -4.34 0.00 1.85 -1.56 -3.44 114.93 107.52 2jrj h MET 59 Ca -0.00 -0.13 -0.73 0.00 -0.61 0.00 0.00 59.70 58.23 2jrj h MET 59 Cb 0.92 0.05 -0.27 0.00 0.43 0.00 0.00 31.60 32.73 2jrj h MET 59 CO 0.04 1.06 -0.40 -1.58 -0.40 0.00 0.00 176.91 175.64 2jrj s HIS 60 N -2.38 3.35 0.00 1.39 5.65 -0.98 -5.18 115.29 117.14 2jrj s HIS 60 Ca -0.25 -1.54 0.00 0.00 0.25 0.00 0.00 55.06 53.53 2jrj s HIS 60 Cb 0.04 -3.26 0.00 0.00 -1.18 0.00 0.00 32.58 28.18 2jrj s HIS 60 CO 0.66 -0.91 0.39 0.43 -0.65 0.00 0.00 174.74 174.66