#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrj s ASN 11 N 0.00 6.20 -0.43 -1.84 2.20 -1.26 -4.95 114.94 114.86 2jrj s ASN 11 Ca 0.00 -1.06 -0.16 0.00 -0.94 0.00 0.00 52.86 50.70 2jrj s ASN 11 Cb 0.00 -2.56 0.03 0.00 -2.00 0.00 0.00 41.25 36.72 2jrj s ASN 11 CO 0.00 -1.77 0.40 0.68 -2.94 0.00 0.00 177.10 173.47 2jrj s VAL 12 N 5.96 5.15 -1.18 3.54 -7.23 -1.26 -5.00 120.40 120.39 2jrj s VAL 12 Ca 0.48 -0.58 -0.22 0.00 -1.81 0.00 0.00 61.98 59.84 2jrj s VAL 12 Cb -0.03 -4.04 -0.08 0.00 0.56 0.00 0.00 36.38 32.79 2jrj s VAL 12 CO -0.02 -0.44 1.92 -0.44 -0.31 0.00 0.00 175.10 175.81 2jrj s SER 13 N 1.97 5.14 0.16 4.85 0.01 -1.26 -4.90 113.70 119.67 2jrj s SER 13 Ca 0.09 -1.67 0.07 0.00 1.31 0.00 0.00 55.95 55.74 2jrj s SER 13 Cb -0.19 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.41 2jrj s SER 13 CO 0.11 -2.96 -0.02 -1.10 0.41 0.00 0.00 173.24 169.68 2jrj s GLN 14 N 6.36 2.35 -0.96 12.44 -1.52 -1.26 -5.04 119.66 132.03 2jrj s GLN 14 Ca 0.68 -1.08 -0.24 0.00 -1.95 0.00 0.00 55.36 52.76 2jrj s GLN 14 Cb -0.01 -2.35 -0.06 0.00 -0.22 0.00 0.00 33.01 30.37 2jrj s GLN 14 CO 0.12 0.47 1.97 -0.65 -0.25 0.00 0.00 175.29 176.96 2jrj s GLN 15 N -2.77 2.46 0.08 2.91 -1.52 -1.26 -4.93 119.66 114.64 2jrj s GLN 15 Ca 0.26 -0.44 -0.17 0.00 -1.95 0.00 0.00 55.36 53.06 2jrj s GLN 15 Cb -0.10 -5.09 -0.07 0.00 -0.22 0.00 0.00 33.01 27.54 2jrj s GLN 15 CO 0.18 -3.61 0.54 0.54 -0.25 0.00 0.00 175.29 172.68 2jrj s ASN 16 N 7.87 6.96 -0.38 5.90 4.22 -1.26 -0.92 114.94 137.32 2jrj s ASN 16 Ca 0.71 1.17 -0.29 0.00 -2.14 0.00 0.00 52.86 52.31 2jrj s ASN 16 Cb -0.06 -2.32 0.00 0.00 1.28 0.00 0.00 41.25 40.15 2jrj s ASN 16 CO 0.03 0.23 1.54 0.00 -2.04 0.00 0.00 177.10 176.87 2jrj h PRO 18 N 11.41 0.00 0.00 0.00 0.11 -1.94 0.53 132.00 142.11 2jrj h PRO 18 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2jrj h PRO 18 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2jrj h PRO 18 CO 1.07 0.00 0.00 0.82 -0.21 0.00 0.00 178.00 179.68 2jrj h ILE 19 N 0.00 0.00 0.00 4.15 1.08 -1.96 -3.36 117.51 117.43 2jrj h ILE 19 Ca 0.00 -0.42 -0.02 0.00 -0.39 0.00 0.00 64.86 64.03 2jrj h ILE 19 Cb 0.38 1.34 -0.02 0.00 -3.07 0.00 0.00 36.82 35.46 2jrj h ILE 19 CO 0.00 0.00 -0.03 0.00 -0.69 0.00 0.00 178.15 177.43 2jrj n LEU 21 N 0.00 -1.52 0.00 0.00 4.77 0.18 -4.97 117.00 115.46 2jrj n LEU 21 Ca -0.03 0.13 -0.19 0.00 -0.03 0.00 0.00 56.01 55.89 2jrj n LEU 21 Cb 0.35 -2.54 0.10 0.00 -2.33 0.00 0.00 43.42 38.99 2jrj n LEU 21 CO -0.02 -0.27 0.46 -0.62 -1.33 0.00 0.00 177.39 175.62 2jrj n GLU 22 N -2.81 -0.04 -3.42 3.23 1.02 -1.08 -4.81 120.64 112.73 2jrj n GLU 22 Ca -0.20 -2.13 -0.31 0.00 -0.02 0.00 0.00 57.16 54.51 2jrj n GLU 22 Cb 0.64 -0.57 -0.05 0.00 -0.02 0.00 0.00 31.44 31.44 2jrj n GLU 22 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2jrj s ASP 23 N -4.28 6.55 -0.17 1.62 2.15 -1.26 0.49 116.67 121.76 2jrj s ASP 23 Ca 0.53 0.81 -0.04 0.00 0.43 0.00 0.00 52.55 54.28 2jrj s ASP 23 Cb -0.03 -2.18 0.07 0.00 -0.30 0.00 0.00 42.92 40.48 2jrj s ASP 23 CO 0.35 -0.10 0.16 -0.63 -0.17 0.00 0.00 175.17 174.79 2jrj s ILE 24 N -1.89 -0.23 0.26 4.11 1.01 -0.10 -4.55 121.20 119.82 2jrj s ILE 24 Ca 0.45 -0.04 -0.10 0.00 0.00 0.00 0.00 60.65 60.97 2jrj s ILE 24 Cb -0.11 -0.57 -0.07 0.00 0.01 0.00 0.00 42.46 41.72 2jrj s ILE 24 CO 0.25 -0.16 0.59 -2.28 0.00 0.00 0.00 174.94 173.34 2jrj s HIS 25 N 2.26 3.43 0.59 3.97 2.46 -1.26 -4.21 115.29 122.52 2jrj s HIS 25 Ca 0.05 0.91 0.29 0.00 0.47 0.00 0.00 55.06 56.77 2jrj s HIS 25 Cb -0.15 -2.30 1.52 0.00 -0.13 0.00 0.00 32.58 31.53 2jrj s HIS 25 CO -0.10 0.20 1.94 1.15 -2.47 0.00 0.00 174.74 175.47 2jrj h THR 26 N 1.85 0.36 -0.51 0.89 2.02 -2.01 -3.37 112.91 112.14 2jrj h THR 26 Ca -0.47 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 66.57 2jrj h THR 26 Cb 1.17 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 2jrj h THR 26 CO 0.68 0.00 0.36 -0.94 0.37 0.00 0.00 175.52 175.99 2jrj s SER 27 N -5.29 4.46 0.00 4.18 1.04 -1.26 -4.77 113.70 112.06 2jrj s SER 27 Ca -0.04 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.03 2jrj s SER 27 Cb 0.15 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.71 2jrj s SER 27 CO 0.53 -3.39 0.50 -2.11 0.98 0.00 0.00 173.24 169.76 2jrj n ARG 28 N 8.80 0.91 0.11 4.02 -4.01 -1.26 -2.99 116.66 122.25 2jrj n ARG 28 Ca 0.44 0.00 -0.03 0.00 -1.04 0.00 0.00 57.85 57.21 2jrj n ARG 28 Cb 0.45 -1.41 0.12 0.00 -3.04 0.00 0.00 32.46 28.59 2jrj n ARG 28 CO 0.00 0.00 0.00 -0.24 -3.04 0.00 0.00 177.63 174.35 2jrj h VAL 29 N 0.00 1.45 0.00 8.89 3.04 -1.92 -3.34 116.25 124.37 2jrj h VAL 29 Ca 0.00 -2.21 -0.36 0.00 -1.01 0.00 0.00 66.70 63.13 2jrj h VAL 29 Cb 0.41 2.18 -0.06 0.00 -2.01 0.00 0.00 31.29 31.80 2jrj h VAL 29 CO 0.00 0.64 -2.35 0.55 -1.01 0.00 0.00 177.57 175.40 2jrj n VAL 30 N -3.78 1.36 -2.72 1.51 3.14 -1.16 -4.89 118.33 111.79 2jrj n VAL 30 Ca -0.02 -0.56 -0.43 0.00 -2.96 0.00 0.00 64.34 60.37 2jrj n VAL 30 Cb 0.65 -1.22 -0.03 0.00 -1.06 0.00 0.00 33.84 32.18 2jrj n VAL 30 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2jrj s ALA 31 N -2.47 3.25 0.23 1.55 0.00 -1.24 -4.54 121.76 118.52 2jrj s ALA 31 Ca -0.29 -0.57 -0.30 0.00 0.00 0.00 0.00 51.96 50.80 2jrj s ALA 31 Cb 0.08 -3.73 -0.10 0.00 0.00 0.00 0.00 23.12 19.37 2jrj s ALA 31 CO 0.58 -2.03 1.48 -1.58 0.00 0.00 0.00 175.76 174.21 2jrj s HIS 32 N 3.99 3.02 -0.23 0.00 2.46 0.20 -4.56 115.29 120.17 2jrj s HIS 32 Ca 0.42 0.90 -0.18 0.00 0.47 0.00 0.00 55.06 56.67 2jrj s HIS 32 Cb -0.09 -3.86 -0.03 0.00 -0.13 0.00 0.00 32.58 28.46 2jrj s HIS 32 CO 0.27 -2.93 0.51 0.54 -2.47 0.00 0.00 174.74 170.66 2jrj s VAL 33 N 0.34 5.09 0.69 0.89 0.11 -1.26 -1.02 120.40 125.24 2jrj s VAL 33 Ca 0.63 0.91 -0.15 0.00 -2.93 0.00 0.00 61.98 60.44 2jrj s VAL 33 Cb -0.43 -3.83 0.01 0.00 -1.53 0.00 0.00 36.38 30.61 2jrj s VAL 33 CO 0.40 0.13 1.13 -0.76 -3.33 0.00 0.00 175.10 172.68 2jrj s LEU 34 N 1.96 3.35 0.17 2.54 1.43 0.18 -4.91 118.68 123.40 2jrj s LEU 34 Ca 0.22 2.08 0.16 0.00 -1.03 0.00 0.00 54.13 55.57 2jrj s LEU 34 Cb -0.15 -4.56 0.76 0.00 0.03 0.00 0.00 46.19 42.26 2jrj s LEU 34 CO 0.09 -1.83 1.49 -0.81 0.23 0.00 0.00 176.35 175.52 2jrj n PRO 35 N -2.57 0.10 -0.56 1.29 -0.04 -1.26 -0.93 135.00 131.04 2jrj n PRO 35 Ca 0.11 0.48 0.10 0.00 -0.04 0.00 0.00 63.50 64.15 2jrj n PRO 35 Cb 0.52 -1.75 0.35 0.00 -0.04 0.00 0.00 33.50 32.57 2jrj n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jrj n GLY 37 N 1.22 0.54 3.87 0.00 0.00 -0.11 -5.03 105.19 105.67 2jrj n GLY 37 Ca 0.25 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 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 3.28 0.01 1.61 3.76 -1.25 -4.89 115.29 115.82 2jrj s HIS 38 Ca 0.00 0.01 0.04 0.00 -0.15 0.00 0.00 55.06 54.97 2jrj s HIS 38 Cb 0.00 -1.55 -0.03 0.00 1.11 0.00 0.00 32.58 32.10 2jrj s HIS 38 CO 0.00 0.51 -0.09 -0.51 -0.85 0.00 0.00 174.74 173.80 2jrj s LEU 39 N -3.33 3.05 -0.07 0.89 1.43 -1.26 0.48 118.68 119.88 2jrj s LEU 39 Ca 0.33 -0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.92 2jrj s LEU 39 Cb -0.10 -1.76 0.09 0.00 0.03 0.00 0.00 46.19 44.45 2jrj s LEU 39 CO 0.26 0.27 0.79 -1.48 0.23 0.00 0.00 176.35 176.42 2jrj s LEU 40 N -1.45 -0.54 0.85 1.79 0.05 -0.19 -4.95 118.68 114.24 2jrj s LEU 40 Ca 0.17 0.51 -0.11 0.00 0.05 0.00 0.00 54.13 54.75 2jrj s LEU 40 Cb -0.11 2.29 0.10 0.00 -2.05 0.00 0.00 46.19 46.43 2jrj s LEU 40 CO 0.07 -0.55 1.09 -1.38 -0.55 0.00 0.00 176.35 175.03 2jrj s HIS 41 N -1.50 2.41 0.14 3.48 0.00 -1.26 0.63 115.29 119.19 2jrj s HIS 41 Ca -0.06 1.36 -0.29 0.00 -3.00 0.00 0.00 55.06 53.06 2jrj s HIS 41 Cb -0.00 -3.12 -0.05 0.00 -4.00 0.00 0.00 32.58 25.40 2jrj s HIS 41 CO 0.04 -2.18 1.57 0.00 -1.00 0.00 0.00 174.74 173.18 2jrj h ARG 42 N -1.40 -0.43 0.09 -0.38 2.47 -1.95 0.34 114.38 113.12 2jrj h ARG 42 Ca -0.47 0.03 0.02 0.00 -1.26 0.00 0.00 59.98 58.30 2jrj h ARG 42 Cb 1.26 0.10 -0.05 0.00 -1.65 0.00 0.00 29.97 29.64 2jrj h ARG 42 CO 0.53 -0.29 -0.40 1.79 0.56 0.00 0.00 179.97 182.17 2jrj h THR 43 N -0.45 0.19 -0.12 2.04 1.35 -1.99 -0.64 112.91 113.28 2jrj h THR 43 Ca 0.09 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 65.98 2jrj h THR 43 Cb 0.62 0.19 -0.00 0.00 -1.73 0.00 0.00 68.15 67.22 2jrj h THR 43 CO -0.48 0.00 0.12 0.00 -0.25 0.00 0.00 175.52 174.91 2jrj h TYR 45 N 0.00 0.12 -0.49 0.00 3.20 0.12 -0.35 116.97 119.57 2jrj h TYR 45 Ca 0.06 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 2jrj h TYR 45 Cb 0.30 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 2jrj h TYR 45 CO 0.00 0.41 0.15 0.93 -1.64 0.00 0.00 178.16 178.01 2jrj h GLU 46 N -0.20 0.76 0.13 1.82 5.08 -0.42 -0.14 114.58 121.60 2jrj h GLU 46 Ca 0.02 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2jrj h GLU 46 Cb 0.37 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2jrj h GLU 46 CO 0.00 0.71 -0.18 0.93 -1.00 0.00 0.00 179.01 179.48 2jrj h GLU 47 N 0.65 -0.35 0.06 2.33 4.39 -1.08 0.13 114.58 120.72 2jrj h GLU 47 Ca 0.16 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.88 2jrj h GLU 47 Cb 0.27 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2jrj h GLU 47 CO -0.01 -0.23 -0.03 1.98 -1.16 0.00 0.00 179.01 179.56 2jrj h MET 48 N -0.36 -0.08 -0.02 2.33 4.05 -0.98 -2.50 114.93 117.36 2jrj h MET 48 Ca 0.02 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.41 2jrj h MET 48 Cb 0.36 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.18 2jrj h MET 48 CO -0.08 0.20 -0.13 1.25 0.23 0.00 0.00 176.91 178.38 2jrj h LEU 49 N -0.37 0.03 0.14 3.39 5.85 -1.00 0.05 115.31 123.41 2jrj h LEU 49 Ca -0.01 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2jrj h LEU 49 Cb 0.32 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.35 2jrj h LEU 49 CO 0.01 0.17 -0.07 0.50 -0.34 0.00 0.00 178.44 178.71 2jrj h LYS 50 N 0.03 -0.18 -0.30 1.25 3.64 -0.56 -3.11 116.57 117.35 2jrj h LYS 50 Ca 0.01 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 2jrj h LYS 50 Cb 0.25 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2jrj h LYS 50 CO 0.02 -0.03 -0.23 0.93 -2.27 0.00 0.00 179.45 177.87 2jrj h GLU 51 N -0.29 0.57 -1.58 1.90 4.39 -0.91 -3.47 114.58 115.20 2jrj h GLU 51 Ca -0.02 -0.21 -0.35 0.00 0.34 0.00 0.00 59.36 59.11 2jrj h GLU 51 Cb 0.23 -0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 28.76 2jrj h GLU 51 CO 0.03 0.76 -0.38 0.41 -1.16 0.00 0.00 179.01 178.67 2jrj n GLY 52 N -0.36 0.80 3.88 -3.84 0.00 -0.07 -4.98 105.19 100.61 2jrj n GLY 52 Ca -0.00 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 2jrj n GLY 52 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jrj s TYR 53 N -2.75 3.38 0.20 1.61 1.13 -1.26 -4.98 117.35 114.68 2jrj s TYR 53 Ca 0.00 1.11 -0.32 0.00 -1.41 0.00 0.00 57.07 56.45 2jrj s TYR 53 Cb 0.00 -2.99 -0.11 0.00 -1.10 0.00 0.00 41.96 37.76 2jrj s TYR 53 CO 0.00 -1.09 1.68 1.03 -2.51 0.00 0.00 175.55 174.67 2jrj s ARG 54 N -5.31 4.14 -0.18 -3.49 3.00 -1.26 -4.87 118.95 110.99 2jrj s ARG 54 Ca 0.57 2.56 -0.29 0.00 0.00 0.00 0.00 55.73 58.57 2jrj s ARG 54 Cb -0.11 -3.09 -0.05 0.00 0.00 0.00 0.00 34.95 31.71 2jrj s ARG 54 CO 0.52 -0.71 1.89 0.00 0.00 0.00 0.00 175.30 177.00 2jrj h PRO 56 N 12.21 0.00 0.00 0.00 0.13 -2.01 -2.53 132.00 139.80 2jrj h PRO 56 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2jrj h PRO 56 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2jrj h PRO 56 CO 0.98 0.19 0.00 -0.07 -0.23 0.00 0.00 178.00 178.87 2jrj h LEU 57 N 0.00 0.00 -2.16 1.56 4.07 -1.89 0.39 115.31 117.29 2jrj h LEU 57 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 2jrj h LEU 57 Cb 0.55 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.28 2jrj h LEU 57 CO 0.02 0.00 -0.04 0.00 -1.08 0.00 0.00 178.44 177.35 2jrj n MET 59 N -3.27 2.94 -3.49 0.00 2.81 0.12 -4.85 117.12 111.38 2jrj n MET 59 Ca -0.01 -2.41 -0.29 0.00 -1.81 0.00 0.00 57.70 53.18 2jrj n MET 59 Cb 0.20 -1.53 -0.13 0.00 -0.71 0.00 0.00 33.22 31.05 2jrj n MET 59 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 2jrj s HIS 60 N -1.77 0.62 0.00 2.03 5.04 -0.46 -5.14 115.29 115.60 2jrj s HIS 60 Ca 0.32 -1.41 0.00 0.00 -1.54 0.00 0.00 55.06 52.43 2jrj s HIS 60 Cb 0.22 -0.92 0.00 0.00 0.04 0.00 0.00 32.58 31.92 2jrj s HIS 60 CO 0.13 -0.83 0.00 0.43 -2.34 0.00 0.00 174.74 172.13