#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 6.96 -1.28 -1.84 4.22 -1.26 -4.99 114.94 116.76 2jrj s ASN 11 Ca 0.00 1.14 -0.19 0.00 -2.14 0.00 0.00 52.86 51.67 2jrj s ASN 11 Cb 0.00 -2.32 0.03 0.00 1.28 0.00 0.00 41.25 40.25 2jrj s ASN 11 CO 0.00 0.29 1.81 0.52 -2.04 0.00 0.00 177.10 177.68 2jrj n VAL 12 N 1.73 3.46 -3.56 3.54 0.31 -1.26 -4.91 118.33 117.63 2jrj n VAL 12 Ca -0.12 -3.57 -0.41 0.00 -0.01 0.00 0.00 64.34 60.23 2jrj n VAL 12 Cb 0.51 -2.32 -0.10 0.00 -0.91 0.00 0.00 33.84 31.02 2jrj n VAL 12 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2jrj s SER 13 N 4.69 5.75 -0.03 4.52 1.04 -1.26 -5.06 113.70 123.35 2jrj s SER 13 Ca 0.57 -1.32 0.02 0.00 0.48 0.00 0.00 55.95 55.69 2jrj s SER 13 Cb 0.04 -2.03 0.01 0.00 0.10 0.00 0.00 66.02 64.13 2jrj s SER 13 CO 0.09 -0.51 -0.07 -1.10 0.98 0.00 0.00 173.24 172.62 2jrj s GLN 14 N 1.50 0.95 0.45 4.02 -0.21 -1.26 -5.13 119.66 119.97 2jrj s GLN 14 Ca 0.03 -0.23 -0.23 0.00 0.02 0.00 0.00 55.36 54.94 2jrj s GLN 14 Cb -0.22 -0.89 -0.08 0.00 1.00 0.00 0.00 33.01 32.83 2jrj s GLN 14 CO 0.04 0.03 1.17 -1.14 -2.12 0.00 0.00 175.29 173.27 2jrj s GLN 15 N 0.48 3.82 0.21 2.91 2.00 -1.12 -4.95 119.66 123.00 2jrj s GLN 15 Ca -0.07 1.79 0.11 0.00 -2.00 0.00 0.00 55.36 55.18 2jrj s GLN 15 Cb -0.11 -2.46 -0.04 0.00 0.80 0.00 0.00 33.01 31.20 2jrj s GLN 15 CO 0.01 -0.50 -0.17 0.54 -0.50 0.00 0.00 175.29 174.66 2jrj s ASN 16 N -1.32 3.78 -0.45 6.67 4.22 -1.26 -1.46 114.94 125.12 2jrj s ASN 16 Ca 0.62 -0.79 -0.21 0.00 -2.14 0.00 0.00 52.86 50.33 2jrj s ASN 16 Cb -0.29 -0.44 0.03 0.00 1.28 0.00 0.00 41.25 41.83 2jrj s ASN 16 CO 0.35 0.09 0.69 0.00 -2.04 0.00 0.00 177.10 176.20 2jrj h PRO 18 N 8.93 0.00 0.00 0.00 0.11 -1.89 0.80 132.00 139.95 2jrj h PRO 18 Ca -0.25 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 2jrj h PRO 18 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2jrj h PRO 18 CO 0.92 0.14 -0.11 0.82 -0.21 0.00 0.00 178.00 179.55 2jrj h ILE 19 N 0.00 0.88 0.00 4.15 1.08 -1.91 -3.32 117.51 118.39 2jrj h ILE 19 Ca -0.00 -0.41 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 2jrj h ILE 19 Cb 0.34 1.24 0.00 0.00 -3.07 0.00 0.00 36.82 35.33 2jrj h ILE 19 CO 0.02 0.11 -0.02 0.00 -0.69 0.00 0.00 178.15 177.56 2jrj n LEU 21 N 0.00 -5.82 -4.08 0.00 4.77 0.28 -5.04 117.00 107.10 2jrj n LEU 21 Ca 0.00 0.24 -0.10 0.00 -0.03 0.00 0.00 56.01 56.12 2jrj n LEU 21 Cb 0.51 -2.71 -0.08 0.00 -2.33 0.00 0.00 43.42 38.80 2jrj n LEU 21 CO 0.00 -1.42 -0.11 -1.61 -1.33 0.00 0.00 177.39 172.92 2jrj s GLU 22 N -2.60 1.19 0.11 3.23 0.41 -1.12 -4.91 118.70 115.01 2jrj s GLU 22 Ca 0.29 -1.39 -0.30 0.00 -0.41 0.00 0.00 54.97 53.16 2jrj s GLU 22 Cb -0.06 0.33 -0.07 0.00 -1.78 0.00 0.00 34.13 32.56 2jrj s GLU 22 CO 0.81 -0.42 1.19 0.34 -0.49 0.00 0.00 175.26 176.69 2jrj s ASP 23 N -3.05 7.10 -0.04 -0.19 2.15 -1.26 0.01 116.67 121.38 2jrj s ASP 23 Ca 0.26 2.08 -0.00 0.00 0.43 0.00 0.00 52.55 55.32 2jrj s ASP 23 Cb 0.05 -2.59 0.03 0.00 -0.30 0.00 0.00 42.92 40.10 2jrj s ASP 23 CO 0.06 -0.41 0.01 -0.63 -0.17 0.00 0.00 175.17 174.03 2jrj s ILE 24 N 0.60 0.17 0.13 4.11 1.01 -0.53 -4.79 121.20 121.91 2jrj s ILE 24 Ca 0.56 0.15 0.00 0.00 0.00 0.00 0.00 60.65 61.36 2jrj s ILE 24 Cb -0.30 -0.31 0.00 0.00 0.01 0.00 0.00 42.46 41.86 2jrj s ILE 24 CO 0.32 0.17 0.04 1.41 0.00 0.00 0.00 174.94 176.88 2jrj n HIS 25 N 4.53 -0.28 0.27 3.97 8.25 -1.26 -2.81 115.22 127.90 2jrj n HIS 25 Ca -0.19 -0.62 0.17 0.00 -0.26 0.00 0.00 57.72 56.82 2jrj n HIS 25 Cb 0.50 -0.10 0.90 0.00 1.12 0.00 0.00 29.99 32.42 2jrj n HIS 25 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jrj h THR 26 N 0.87 0.00 -1.53 1.59 1.03 -2.00 -3.42 112.91 109.45 2jrj h THR 26 Ca -0.10 -0.05 -0.44 0.00 -0.01 0.00 0.00 66.41 65.81 2jrj h THR 26 Cb 0.33 0.83 0.01 0.00 -1.07 0.00 0.00 68.15 68.24 2jrj h THR 26 CO 0.16 0.00 1.56 -0.24 -0.01 0.00 0.00 175.52 177.00 2jrj n SER 27 N -2.71 2.27 -0.34 0.00 2.88 -1.26 -4.74 113.62 109.72 2jrj n SER 27 Ca -0.02 -0.56 0.14 0.00 -1.33 0.00 0.00 58.87 57.10 2jrj n SER 27 Cb 0.08 -1.59 0.52 0.00 -0.75 0.00 0.00 64.21 62.47 2jrj n SER 27 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2jrj n ARG 28 N 8.99 1.28 0.01 -1.46 -4.01 -1.26 -2.98 116.66 117.23 2jrj n ARG 28 Ca 0.38 -0.69 -0.19 0.00 -1.04 0.00 0.00 57.85 56.31 2jrj n ARG 28 Cb 0.54 -1.49 -0.14 0.00 -3.04 0.00 0.00 32.46 28.33 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 1.68 0.68 0.12 8.89 3.04 -1.98 -3.40 116.25 125.28 2jrj h VAL 29 Ca 0.00 -2.41 -0.01 0.00 -1.01 0.00 0.00 66.70 63.28 2jrj h VAL 29 Cb 0.45 2.51 0.00 0.00 -2.01 0.00 0.00 31.29 32.24 2jrj h VAL 29 CO 0.00 0.84 -0.06 0.58 -1.01 0.00 0.00 177.57 177.92 2jrj h VAL 30 N 0.06 0.81 -3.37 1.51 2.07 -1.97 -3.45 116.25 111.92 2jrj h VAL 30 Ca -0.40 -1.29 -0.55 0.00 0.82 0.00 0.00 66.70 65.28 2jrj h VAL 30 Cb 2.04 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 33.20 2jrj h VAL 30 CO 0.09 0.24 0.07 0.00 0.02 0.00 0.00 177.57 177.99 2jrj s ALA 31 N -3.26 3.48 0.15 1.67 0.00 -1.16 -4.71 121.76 117.94 2jrj s ALA 31 Ca -0.11 0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.72 2jrj s ALA 31 Cb -0.00 -2.83 -0.07 0.00 0.00 0.00 0.00 23.12 20.22 2jrj s ALA 31 CO 0.42 0.23 1.17 -1.58 0.00 0.00 0.00 175.76 175.99 2jrj s HIS 32 N -0.62 3.48 -0.25 0.00 2.46 0.15 -4.47 115.29 116.04 2jrj s HIS 32 Ca 0.33 1.45 -0.14 0.00 0.47 0.00 0.00 55.06 57.17 2jrj s HIS 32 Cb -0.20 -3.38 -0.04 0.00 -0.13 0.00 0.00 32.58 28.83 2jrj s HIS 32 CO 0.21 -1.03 0.34 0.54 -2.47 0.00 0.00 174.74 172.33 2jrj s VAL 33 N 0.15 5.21 0.67 0.89 0.11 -1.26 -1.61 120.40 124.56 2jrj s VAL 33 Ca 0.53 0.53 -0.14 0.00 -2.93 0.00 0.00 61.98 59.97 2jrj s VAL 33 Cb -0.31 -3.67 0.00 0.00 -1.53 0.00 0.00 36.38 30.87 2jrj s VAL 33 CO 0.34 0.21 1.10 -0.76 -3.33 0.00 0.00 175.10 172.66 2jrj s LEU 34 N 1.74 3.34 0.35 2.54 1.43 0.11 -4.93 118.68 123.27 2jrj s LEU 34 Ca 0.15 1.93 0.26 0.00 -1.03 0.00 0.00 54.13 55.44 2jrj s LEU 34 Cb -0.15 -4.54 1.22 0.00 0.03 0.00 0.00 46.19 42.75 2jrj s LEU 34 CO 0.09 -1.62 1.78 1.55 0.23 0.00 0.00 176.35 178.38 2jrj h PRO 35 N -0.11 0.00 -0.43 1.29 0.13 -1.98 -0.79 132.00 130.11 2jrj h PRO 35 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2jrj h PRO 35 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2jrj h PRO 35 CO 0.54 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.31 2jrj n GLY 37 N 1.30 0.54 3.85 0.00 0.00 -0.30 -5.06 105.19 105.52 2jrj n GLY 37 Ca 0.17 -0.85 -0.26 0.00 0.00 0.00 0.00 46.02 45.08 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 3.26 -0.07 1.61 3.76 -1.25 -4.91 115.29 115.69 2jrj s HIS 38 Ca 0.00 0.01 0.02 0.00 -0.15 0.00 0.00 55.06 54.95 2jrj s HIS 38 Cb 0.00 -1.55 -0.02 0.00 1.11 0.00 0.00 32.58 32.12 2jrj s HIS 38 CO 0.00 0.52 -0.13 -0.51 -0.85 0.00 0.00 174.74 173.77 2jrj s LEU 39 N -3.24 2.81 -0.05 0.89 1.43 -1.26 0.08 118.68 119.34 2jrj s LEU 39 Ca 0.32 -0.19 -0.26 0.00 -1.03 0.00 0.00 54.13 52.98 2jrj s LEU 39 Cb -0.10 -1.59 0.06 0.00 0.03 0.00 0.00 46.19 44.59 2jrj s LEU 39 CO 0.25 0.32 0.57 -1.48 0.23 0.00 0.00 176.35 176.24 2jrj s LEU 40 N -0.55 -0.20 1.01 1.79 0.05 -0.64 -4.94 118.68 115.21 2jrj s LEU 40 Ca 0.08 0.57 -0.12 0.00 0.05 0.00 0.00 54.13 54.71 2jrj s LEU 40 Cb -0.12 2.14 0.20 0.00 -2.05 0.00 0.00 46.19 46.36 2jrj s LEU 40 CO 0.01 -0.53 1.08 -1.38 -0.55 0.00 0.00 176.35 174.98 2jrj s HIS 41 N -1.12 2.02 0.09 3.48 0.00 -1.26 0.34 115.29 118.83 2jrj s HIS 41 Ca -0.11 1.05 -0.33 0.00 -3.00 0.00 0.00 55.06 52.67 2jrj s HIS 41 Cb -0.02 -3.23 -0.15 0.00 -4.00 0.00 0.00 32.58 25.18 2jrj s HIS 41 CO 0.08 -2.98 1.52 0.00 -1.00 0.00 0.00 174.74 172.35 2jrj h ARG 42 N -1.96 -0.80 -0.56 -0.38 2.47 -1.95 0.54 114.38 111.74 2jrj h ARG 42 Ca -0.55 0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.21 2jrj h ARG 42 Cb 1.32 0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 29.80 2jrj h ARG 42 CO 0.56 -0.53 0.30 1.15 0.56 0.00 0.00 179.97 182.01 2jrj h THR 43 N -0.83 1.19 0.00 2.04 2.02 -2.01 -2.14 112.91 113.18 2jrj h THR 43 Ca -0.03 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 2jrj h THR 43 Cb 0.77 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2jrj h THR 43 CO -0.16 0.21 -0.06 0.00 0.37 0.00 0.00 175.52 175.87 2jrj h TYR 45 N 0.00 0.06 -0.36 0.00 3.20 -0.22 -2.47 116.97 117.19 2jrj h TYR 45 Ca -0.00 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 2jrj h TYR 45 Cb 0.14 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 2jrj h TYR 45 CO 0.00 0.15 0.23 0.93 -1.64 0.00 0.00 178.16 177.82 2jrj h GLU 46 N -0.04 0.45 0.35 1.82 5.08 -0.91 -2.15 114.58 119.18 2jrj h GLU 46 Ca 0.01 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2jrj h GLU 46 Cb 0.11 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2jrj h GLU 46 CO -0.00 0.30 -0.33 0.93 -1.00 0.00 0.00 179.01 178.91 2jrj h GLU 47 N 0.46 -0.68 -0.21 2.33 5.08 -1.09 0.27 114.58 120.76 2jrj h GLU 47 Ca 0.14 0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 2jrj h GLU 47 Cb -0.03 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2jrj h GLU 47 CO -0.04 -0.45 0.04 1.98 -1.00 0.00 0.00 179.01 179.54 2jrj h MET 48 N -0.70 0.34 0.00 2.33 4.05 -1.43 -2.75 114.93 116.77 2jrj h MET 48 Ca -0.02 -0.09 -0.06 0.00 -0.28 0.00 0.00 59.70 59.25 2jrj h MET 48 Cb 0.63 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.38 2jrj h MET 48 CO -0.05 0.48 -0.28 1.25 0.23 0.00 0.00 176.91 178.54 2jrj h LEU 49 N 0.14 0.00 -0.24 3.39 5.85 -1.29 -2.80 115.31 120.35 2jrj h LEU 49 Ca 0.06 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 2jrj h LEU 49 Cb 0.30 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2jrj h LEU 49 CO 0.00 0.28 0.04 0.50 -0.34 0.00 0.00 178.44 178.93 2jrj h LYS 50 N 0.00 0.40 0.00 1.25 3.64 -0.17 -2.76 116.57 118.94 2jrj h LYS 50 Ca -0.00 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 2jrj h LYS 50 Cb 0.54 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2jrj h LYS 50 CO 0.04 0.54 -0.11 0.93 -2.27 0.00 0.00 179.45 178.58 2jrj h GLU 51 N 0.21 0.00 -5.08 1.90 4.39 -1.25 -3.46 114.58 111.29 2jrj h GLU 51 Ca 0.07 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.46 2jrj h GLU 51 Cb 0.33 0.00 0.13 0.00 -0.10 0.00 0.00 28.75 29.10 2jrj h GLU 51 CO 0.00 0.11 -0.60 0.41 -1.16 0.00 0.00 179.01 177.77 2jrj n GLY 52 N -0.58 -0.29 3.53 -3.84 0.00 -1.04 -5.02 105.19 97.96 2jrj n GLY 52 Ca -0.01 0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.28 2.42 0.30 1.61 1.13 -1.26 -5.10 117.35 113.17 2jrj s TYR 53 Ca 0.34 -0.35 -0.29 0.00 -1.41 0.00 0.00 57.07 55.36 2jrj s TYR 53 Cb -0.15 -1.15 -0.13 0.00 -1.10 0.00 0.00 41.96 39.43 2jrj s TYR 53 CO 0.61 0.65 1.37 2.89 -2.51 0.00 0.00 175.55 178.56 2jrj n ARG 54 N -0.74 2.15 -1.80 -3.49 0.00 -1.26 -4.84 116.66 106.68 2jrj n ARG 54 Ca -0.05 0.76 -0.43 0.00 -0.00 0.00 0.00 57.85 58.13 2jrj n ARG 54 Cb 0.61 -2.39 -0.03 0.00 -0.00 0.00 0.00 32.46 30.65 2jrj n ARG 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2jrj n PRO 56 N 7.90 0.09 0.00 0.00 -0.04 -1.26 -1.40 135.00 140.29 2jrj n PRO 56 Ca 0.22 0.42 0.14 0.00 -0.04 0.00 0.00 63.50 64.24 2jrj n PRO 56 Cb 0.44 -1.71 0.65 0.00 -0.04 0.00 0.00 33.50 32.84 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 -1.88 0.00 -0.03 1.53 4.32 -1.26 -0.43 117.00 119.25 2jrj n LEU 57 Ca 0.02 0.41 -0.14 0.00 -0.02 0.00 0.00 56.01 56.28 2jrj n LEU 57 Cb 0.14 -0.41 -0.11 0.00 -1.62 0.00 0.00 43.42 41.42 2jrj n LEU 57 CO 0.13 -0.01 0.50 0.00 -1.22 0.00 0.00 177.39 176.78 2jrj n MET 59 N -4.64 0.45 -1.74 0.00 0.00 -1.21 -5.06 117.12 104.91 2jrj n MET 59 Ca -0.09 0.07 0.00 0.00 0.00 0.00 0.00 57.70 57.68 2jrj n MET 59 Cb 0.40 -1.73 0.00 0.00 0.00 0.00 0.00 33.22 31.90 2jrj n MET 59 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 175.97 177.55 2jrj n HIS 60 N -2.35 -4.05 -1.44 3.17 -0.00 0.43 -5.15 115.22 105.84 2jrj n HIS 60 Ca 0.01 2.40 0.00 0.00 0.46 0.00 0.00 57.72 60.60 2jrj n HIS 60 Cb 0.50 -3.38 0.00 0.00 -0.12 0.00 0.00 29.99 26.99 2jrj n HIS 60 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23