#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 -2.71 -3.92 -1.84 5.15 -1.26 -5.06 115.26 105.61 2jrj n ASN 11 Ca 0.00 -3.43 -0.42 0.00 -0.60 0.00 0.00 54.58 50.13 2jrj n ASN 11 Cb 0.00 1.86 0.00 0.00 -0.53 0.00 0.00 39.78 41.12 2jrj n ASN 11 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 2jrj n VAL 12 N 1.22 3.99 -2.65 3.44 0.24 -1.26 -4.90 118.33 118.42 2jrj n VAL 12 Ca 0.08 -3.92 -0.42 0.00 -2.04 0.00 0.00 64.34 58.04 2jrj n VAL 12 Cb 0.65 -2.46 -0.02 0.00 -1.47 0.00 0.00 33.84 30.55 2jrj n VAL 12 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2jrj s SER 13 N 2.11 6.66 -0.15 -1.34 0.15 -1.26 -4.92 113.70 114.95 2jrj s SER 13 Ca 0.44 -1.95 -0.03 0.00 0.70 0.00 0.00 55.95 55.11 2jrj s SER 13 Cb 0.10 -2.53 0.05 0.00 -1.71 0.00 0.00 66.02 61.92 2jrj s SER 13 CO -0.02 -1.28 0.04 -1.58 1.20 0.00 0.00 173.24 171.60 2jrj s GLN 14 N 4.14 0.45 -1.15 5.44 0.74 -1.26 -4.76 119.66 123.25 2jrj s GLN 14 Ca 0.46 -0.16 -0.14 0.00 0.05 0.00 0.00 55.36 55.57 2jrj s GLN 14 Cb 0.00 -1.67 0.18 0.00 1.10 0.00 0.00 33.01 32.62 2jrj s GLN 14 CO -0.04 -0.55 1.34 -0.65 -0.55 0.00 0.00 175.29 174.84 2jrj s GLN 15 N 1.98 4.02 0.36 1.67 -1.52 -1.23 -5.00 119.66 119.93 2jrj s GLN 15 Ca 0.02 -2.52 -0.28 0.00 -1.95 0.00 0.00 55.36 50.62 2jrj s GLN 15 Cb -0.15 -4.98 -0.11 0.00 -0.22 0.00 0.00 33.01 27.55 2jrj s GLN 15 CO -0.07 -1.71 1.48 -0.80 -0.25 0.00 0.00 175.29 173.95 2jrj s ASN 16 N 2.79 6.38 -0.36 5.90 0.01 -1.26 -3.93 114.94 124.47 2jrj s ASN 16 Ca 0.39 3.01 -0.29 0.00 -0.71 0.00 0.00 52.86 55.27 2jrj s ASN 16 Cb -0.04 -2.66 -0.01 0.00 0.41 0.00 0.00 41.25 38.95 2jrj s ASN 16 CO -0.02 -0.85 1.62 0.00 -1.51 0.00 0.00 177.10 176.33 2jrj n PRO 18 N 8.23 0.17 0.23 0.00 -0.02 -1.26 -0.39 135.00 141.96 2jrj n PRO 18 Ca 0.20 0.26 0.08 0.00 -2.02 0.00 0.00 63.50 62.03 2jrj n PRO 18 Cb 0.47 -1.75 0.56 0.00 -0.02 0.00 0.00 33.50 32.77 2jrj n PRO 18 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2jrj h ILE 19 N 0.00 0.85 0.00 4.25 1.08 -1.97 -3.37 117.51 118.35 2jrj h ILE 19 Ca 0.00 -0.81 -0.00 0.00 -0.39 0.00 0.00 64.86 63.65 2jrj h ILE 19 Cb 0.51 1.48 -0.00 0.00 -3.07 0.00 0.00 36.82 35.73 2jrj h ILE 19 CO 0.00 0.21 -0.01 0.00 -0.69 0.00 0.00 178.15 177.66 2jrj n LEU 21 N 0.00 -7.10 -3.90 0.00 4.77 0.48 -5.07 117.00 106.18 2jrj n LEU 21 Ca -0.01 1.20 -0.08 0.00 -0.03 0.00 0.00 56.01 57.09 2jrj n LEU 21 Cb 0.38 -2.99 -0.02 0.00 -2.33 0.00 0.00 43.42 38.46 2jrj n LEU 21 CO -0.00 -2.82 0.38 -1.61 -1.33 0.00 0.00 177.39 172.00 2jrj s GLU 22 N -1.54 1.80 0.29 3.23 2.02 -1.05 -4.95 118.70 118.50 2jrj s GLU 22 Ca 0.01 -1.18 -0.21 0.00 0.02 0.00 0.00 54.97 53.61 2jrj s GLU 22 Cb -0.00 0.57 -0.09 0.00 0.10 0.00 0.00 34.13 34.70 2jrj s GLU 22 CO 0.63 -0.81 0.82 0.34 0.02 0.00 0.00 175.26 176.26 2jrj s ASP 23 N -2.99 7.11 -0.15 -0.19 2.15 -1.26 0.01 116.67 121.35 2jrj s ASP 23 Ca 0.16 1.57 -0.04 0.00 0.43 0.00 0.00 52.55 54.66 2jrj s ASP 23 Cb -0.04 -2.48 0.05 0.00 -0.30 0.00 0.00 42.92 40.16 2jrj s ASP 23 CO 0.09 -0.06 0.07 -0.63 -0.17 0.00 0.00 175.17 174.47 2jrj s ILE 24 N -1.67 0.05 0.44 4.11 1.01 -1.25 -4.69 121.20 119.19 2jrj s ILE 24 Ca 0.48 -0.15 -0.20 0.00 0.00 0.00 0.00 60.65 60.79 2jrj s ILE 24 Cb -0.16 -0.60 -0.10 0.00 0.01 0.00 0.00 42.46 41.61 2jrj s ILE 24 CO 0.21 -0.18 0.94 -2.28 0.00 0.00 0.00 174.94 173.63 2jrj s HIS 25 N 2.08 3.34 0.34 3.97 5.65 -1.26 -3.57 115.29 125.84 2jrj s HIS 25 Ca 0.02 1.56 0.31 0.00 0.25 0.00 0.00 55.06 57.20 2jrj s HIS 25 Cb -0.16 -2.82 1.71 0.00 -1.18 0.00 0.00 32.58 30.14 2jrj s HIS 25 CO -0.08 -0.15 1.95 1.79 -0.65 0.00 0.00 174.74 177.60 2jrj h THR 26 N 1.71 0.00 -1.49 0.89 1.35 -1.98 -3.40 112.91 109.98 2jrj h THR 26 Ca -0.48 0.00 -0.40 0.00 -0.55 0.00 0.00 66.41 64.97 2jrj h THR 26 Cb 1.18 0.70 -0.02 0.00 -1.73 0.00 0.00 68.15 68.28 2jrj h THR 26 CO 0.61 0.00 1.18 -0.44 -0.25 0.00 0.00 175.52 176.63 2jrj s SER 27 N -4.48 4.88 0.00 5.36 0.01 -1.26 -4.79 113.70 113.43 2jrj s SER 27 Ca -0.03 0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.54 2jrj s SER 27 Cb 0.09 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.79 2jrj s SER 27 CO 0.29 -2.73 0.84 -2.11 0.41 0.00 0.00 173.24 169.93 2jrj n ARG 28 N 9.05 0.90 -0.02 12.44 0.00 -1.26 -2.62 116.66 135.15 2jrj n ARG 28 Ca 0.31 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 58.00 2jrj n ARG 28 Cb 0.51 -1.06 -0.10 0.00 -0.00 0.00 0.00 32.46 31.81 2jrj n ARG 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2jrj h VAL 29 N 0.00 1.44 0.08 8.89 2.07 -1.94 -3.38 116.25 123.41 2jrj h VAL 29 Ca 0.00 -1.87 -0.27 0.00 0.82 0.00 0.00 66.70 65.38 2jrj h VAL 29 Cb 0.06 2.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 2jrj h VAL 29 CO 0.00 0.54 -1.44 1.62 0.02 0.00 0.00 177.57 178.31 2jrj h VAL 30 N -0.16 0.95 -3.54 2.57 3.04 -1.93 -3.44 116.25 113.75 2jrj h VAL 30 Ca -0.04 -2.33 -0.57 0.00 -1.01 0.00 0.00 66.70 62.75 2jrj h VAL 30 Cb 1.09 2.57 -0.07 0.00 -2.01 0.00 0.00 31.29 32.87 2jrj h VAL 30 CO 0.08 0.64 0.83 0.00 -1.01 0.00 0.00 177.57 178.12 2jrj s ALA 31 N -2.45 3.31 0.22 3.17 0.00 -1.08 -4.24 121.76 120.69 2jrj s ALA 31 Ca -0.23 -0.34 -0.32 0.00 0.00 0.00 0.00 51.96 51.08 2jrj s ALA 31 Cb 0.05 -3.76 -0.11 0.00 0.00 0.00 0.00 23.12 19.30 2jrj s ALA 31 CO 0.72 -1.89 1.67 -1.58 0.00 0.00 0.00 175.76 174.68 2jrj s HIS 32 N 4.00 2.91 -0.23 0.00 2.46 0.18 -4.36 115.29 120.25 2jrj s HIS 32 Ca 0.45 0.48 -0.23 0.00 0.47 0.00 0.00 55.06 56.23 2jrj s HIS 32 Cb -0.10 -4.08 -0.01 0.00 -0.13 0.00 0.00 32.58 28.26 2jrj s HIS 32 CO 0.24 -4.00 0.77 0.54 -2.47 0.00 0.00 174.74 169.82 2jrj s VAL 33 N 0.94 4.89 0.56 0.89 0.11 -1.26 -1.88 120.40 124.64 2jrj s VAL 33 Ca 0.72 1.44 -0.17 0.00 -2.93 0.00 0.00 61.98 61.04 2jrj s VAL 33 Cb -0.48 -4.06 -0.05 0.00 -1.53 0.00 0.00 36.38 30.25 2jrj s VAL 33 CO 0.35 -0.03 1.05 -0.76 -3.33 0.00 0.00 175.10 172.38 2jrj s LEU 34 N 2.62 3.60 0.49 2.54 1.43 0.12 -4.95 118.68 124.54 2jrj s LEU 34 Ca 0.33 1.83 0.33 0.00 -1.03 0.00 0.00 54.13 55.59 2jrj s LEU 34 Cb -0.15 -4.54 1.58 0.00 0.03 0.00 0.00 46.19 43.11 2jrj s LEU 34 CO 0.08 -1.02 2.00 1.55 0.23 0.00 0.00 176.35 179.20 2jrj h PRO 35 N 0.78 0.00 -0.37 1.29 0.13 -1.97 -0.84 132.00 131.03 2jrj h PRO 35 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2jrj h PRO 35 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2jrj h PRO 35 CO 0.58 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.35 2jrj n GLY 37 N 1.14 0.58 3.85 0.00 0.00 -0.32 -5.05 105.19 105.39 2jrj n GLY 37 Ca 0.14 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 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 3.22 0.01 1.61 3.76 -1.24 -4.91 115.29 115.74 2jrj s HIS 38 Ca 0.00 -0.03 0.05 0.00 -0.15 0.00 0.00 55.06 54.93 2jrj s HIS 38 Cb 0.00 -1.51 -0.03 0.00 1.11 0.00 0.00 32.58 32.15 2jrj s HIS 38 CO 0.00 0.51 -0.12 -0.51 -0.85 0.00 0.00 174.74 173.77 2jrj s LEU 39 N -3.46 2.88 -0.09 0.89 1.43 -1.26 0.13 118.68 119.19 2jrj s LEU 39 Ca 0.32 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 52.87 2jrj s LEU 39 Cb -0.09 -1.66 0.07 0.00 0.03 0.00 0.00 46.19 44.53 2jrj s LEU 39 CO 0.25 0.28 0.66 -1.48 0.23 0.00 0.00 176.35 176.29 2jrj s LEU 40 N -1.32 -0.56 0.69 1.79 0.05 -0.79 -4.95 118.68 113.59 2jrj s LEU 40 Ca 0.15 0.81 -0.17 0.00 0.05 0.00 0.00 54.13 54.98 2jrj s LEU 40 Cb -0.11 2.43 0.00 0.00 -2.05 0.00 0.00 46.19 46.46 2jrj s LEU 40 CO 0.06 -0.53 1.14 0.00 -0.55 0.00 0.00 176.35 176.47 2jrj n HIS 41 N 1.29 1.32 -0.08 3.48 -0.00 -1.26 0.51 115.22 120.47 2jrj n HIS 41 Ca -0.18 0.41 -0.11 0.00 -0.00 0.00 0.00 57.72 57.84 2jrj n HIS 41 Cb 0.57 -2.17 -0.06 0.00 -0.00 0.00 0.00 29.99 28.32 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 0.08 -0.38 -0.98 -1.40 2.47 -1.94 0.40 114.38 112.62 2jrj h ARG 42 Ca -0.49 0.03 0.14 0.00 -1.26 0.00 0.00 59.98 58.39 2jrj h ARG 42 Cb 1.34 0.09 -0.09 0.00 -1.65 0.00 0.00 29.97 29.65 2jrj h ARG 42 CO 0.50 -0.26 0.60 1.15 0.56 0.00 0.00 179.97 182.52 2jrj h THR 43 N -0.40 0.85 0.00 2.04 2.02 -1.97 -0.43 112.91 115.03 2jrj h THR 43 Ca 0.11 -0.31 -0.07 0.00 0.77 0.00 0.00 66.41 66.91 2jrj h THR 43 Cb 0.61 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 2jrj h THR 43 CO -0.52 0.16 -0.32 0.00 0.37 0.00 0.00 175.52 175.21 2jrj h TYR 45 N 0.00 0.42 0.10 0.00 3.20 -0.00 -0.63 116.97 120.05 2jrj h TYR 45 Ca -0.00 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 2jrj h TYR 45 Cb 0.86 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.99 2jrj h TYR 45 CO 0.00 0.32 -0.05 0.93 -1.64 0.00 0.00 178.16 177.73 2jrj h GLU 46 N 0.40 -0.13 0.17 1.82 5.08 -1.20 -1.74 114.58 118.98 2jrj h GLU 46 Ca 0.11 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2jrj h GLU 46 Cb 0.03 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 2jrj h GLU 46 CO -0.02 -0.05 -0.33 0.93 -1.00 0.00 0.00 179.01 178.54 2jrj h GLU 47 N -0.17 -0.57 -0.40 2.33 5.08 -1.09 0.46 114.58 120.21 2jrj h GLU 47 Ca -0.01 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2jrj h GLU 47 Cb 0.13 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2jrj h GLU 47 CO 0.02 -0.38 0.16 1.98 -1.00 0.00 0.00 179.01 179.79 2jrj h MET 48 N -0.59 0.61 -0.30 2.33 4.05 -1.14 -1.06 114.93 118.82 2jrj h MET 48 Ca 0.02 -0.11 -0.05 0.00 -0.28 0.00 0.00 59.70 59.27 2jrj h MET 48 Cb 0.60 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.28 2jrj h MET 48 CO -0.16 0.58 -0.03 1.25 0.23 0.00 0.00 176.91 178.77 2jrj h LEU 49 N 0.51 0.44 0.01 3.39 5.85 -1.11 0.13 115.31 124.53 2jrj h LEU 49 Ca 0.13 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2jrj h LEU 49 Cb 0.20 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2jrj h LEU 49 CO -0.01 0.53 -0.01 0.11 -0.34 0.00 0.00 178.44 178.73 2jrj h LYS 50 N 0.45 -0.02 0.00 1.25 1.57 -0.51 -3.12 116.57 116.19 2jrj h LYS 50 Ca 0.10 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 2jrj h LYS 50 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2jrj h LYS 50 CO 0.01 0.37 -0.17 0.93 -0.57 0.00 0.00 179.45 180.03 2jrj h GLU 51 N -0.41 0.00 -1.66 3.15 5.08 -0.86 -3.46 114.58 116.42 2jrj h GLU 51 Ca -0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.95 2jrj h GLU 51 Cb 0.40 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.54 2jrj h GLU 51 CO 0.00 0.17 -0.42 0.41 -1.00 0.00 0.00 179.01 178.17 2jrj n GLY 52 N -1.00 1.04 3.93 -3.84 0.00 0.41 -4.97 105.19 100.77 2jrj n GLY 52 Ca -0.02 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.84 2.96 0.13 1.61 1.13 -1.26 -4.99 117.35 114.10 2jrj s TYR 53 Ca 0.00 0.46 -0.32 0.00 -1.41 0.00 0.00 57.07 55.79 2jrj s TYR 53 Cb 0.00 -3.11 -0.12 0.00 -1.10 0.00 0.00 41.96 37.63 2jrj s TYR 53 CO 0.00 -1.30 1.74 0.54 -2.51 0.00 0.00 175.55 174.02 2jrj n ARG 54 N -2.85 2.56 -1.62 -3.49 5.12 -1.26 -4.87 116.66 110.24 2jrj n ARG 54 Ca 0.07 0.93 -0.41 0.00 -1.93 0.00 0.00 57.85 56.52 2jrj n ARG 54 Cb 0.60 -2.77 -0.03 0.00 -1.16 0.00 0.00 32.46 29.10 2jrj n ARG 54 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jrj h PRO 56 N 16.55 0.00 0.00 0.00 0.13 -1.97 -0.97 132.00 145.74 2jrj h PRO 56 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2jrj h PRO 56 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2jrj h PRO 56 CO 1.04 0.00 0.00 -0.07 -0.23 0.00 0.00 178.00 178.74 2jrj h LEU 57 N 0.00 0.00 -1.53 1.56 4.07 -1.89 -0.63 115.31 116.90 2jrj h LEU 57 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2jrj h LEU 57 Cb 0.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.01 2jrj h LEU 57 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.36 2jrj n MET 59 N -2.67 0.07 -3.82 0.00 0.00 -0.24 -4.69 117.12 105.77 2jrj n MET 59 Ca -0.00 0.02 -0.30 0.00 -0.00 0.00 0.00 57.70 57.42 2jrj n MET 59 Cb 0.18 -1.54 -0.15 0.00 0.00 0.00 0.00 33.22 31.71 2jrj n MET 59 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 2jrj s HIS 60 N -3.04 2.36 -2.32 1.12 5.04 -0.30 -5.18 115.29 112.97 2jrj s HIS 60 Ca 0.10 -2.18 0.29 0.00 -1.54 0.00 0.00 55.06 51.74 2jrj s HIS 60 Cb 0.17 -2.10 1.36 0.00 0.04 0.00 0.00 32.58 32.04 2jrj s HIS 60 CO 0.70 -0.89 1.92 -1.13 -2.34 0.00 0.00 174.74 172.99