#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 2.96 -4.57 4.31 4.13 -1.26 -4.94 115.26 115.89 2jrj n ASN 11 Ca 0.00 -3.76 -0.31 0.00 1.68 0.00 0.00 54.58 52.19 2jrj n ASN 11 Cb 0.00 -0.68 -0.05 0.00 -1.54 0.00 0.00 39.78 37.51 2jrj n ASN 11 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2jrj s VAL 12 N -3.37 3.63 -0.53 2.41 1.01 -1.26 -4.62 120.40 117.68 2jrj s VAL 12 Ca 0.48 -0.94 0.24 0.00 0.00 0.00 0.00 61.98 61.76 2jrj s VAL 12 Cb 0.43 -4.57 0.18 0.00 0.00 0.00 0.00 36.38 32.42 2jrj s VAL 12 CO 0.02 -1.19 1.47 0.28 0.00 0.00 0.00 175.10 175.67 2jrj h SER 13 N 9.75 0.00 -2.27 3.32 0.02 -2.02 -3.43 113.55 118.92 2jrj h SER 13 Ca 0.22 -0.06 -0.54 0.00 -0.84 0.00 0.00 61.79 60.58 2jrj h SER 13 Cb 0.95 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.41 2jrj h SER 13 CO 1.27 0.03 1.10 -1.10 -1.14 0.00 0.00 176.83 176.99 2jrj s GLN 14 N -3.20 3.15 -0.15 3.45 1.11 -1.26 -4.96 119.66 117.80 2jrj s GLN 14 Ca 0.06 -0.19 -0.29 0.00 0.01 0.00 0.00 55.36 54.95 2jrj s GLN 14 Cb 0.10 -4.25 -0.06 0.00 -1.01 0.00 0.00 33.01 27.79 2jrj s GLN 14 CO 0.69 -2.21 2.12 -1.14 0.01 0.00 0.00 175.29 174.76 2jrj s GLN 15 N 5.84 3.44 0.51 2.91 0.74 -1.26 -4.86 119.66 126.98 2jrj s GLN 15 Ca 0.39 2.17 -0.19 0.00 0.05 0.00 0.00 55.36 57.79 2jrj s GLN 15 Cb -0.08 -4.30 -0.08 0.00 1.10 0.00 0.00 33.01 29.65 2jrj s GLN 15 CO 0.14 -1.75 1.01 0.54 -0.55 0.00 0.00 175.29 174.69 2jrj s ASN 16 N 7.05 6.39 -0.48 6.67 2.20 -1.26 -2.98 114.94 132.52 2jrj s ASN 16 Ca 0.96 1.78 -0.23 0.00 -0.94 0.00 0.00 52.86 54.42 2jrj s ASN 16 Cb -0.35 -2.54 0.03 0.00 -2.00 0.00 0.00 41.25 36.39 2jrj s ASN 16 CO 0.37 -0.75 0.84 0.00 -2.94 0.00 0.00 177.10 174.62 2jrj h PRO 18 N 9.09 0.00 -0.09 0.00 0.11 -1.95 0.69 132.00 139.86 2jrj h PRO 18 Ca -0.25 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.88 2jrj h PRO 18 Cb 1.08 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 2jrj h PRO 18 CO 1.01 0.16 0.16 0.82 -0.21 0.00 0.00 178.00 179.94 2jrj h ILE 19 N 0.00 0.26 0.00 4.15 1.08 -1.97 -3.15 117.51 117.89 2jrj h ILE 19 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2jrj h ILE 19 Cb 0.30 0.86 0.00 0.00 -3.07 0.00 0.00 36.82 34.90 2jrj h ILE 19 CO 0.02 0.00 -0.02 0.00 -0.69 0.00 0.00 178.15 177.46 2jrj n LEU 21 N 0.00 -2.89 0.00 0.00 4.77 0.24 -5.01 117.00 114.10 2jrj n LEU 21 Ca 0.00 -0.82 -0.18 0.00 -0.03 0.00 0.00 56.01 54.98 2jrj n LEU 21 Cb 0.51 -2.09 -0.06 0.00 -2.33 0.00 0.00 43.42 39.45 2jrj n LEU 21 CO 0.00 0.12 -0.10 -0.62 -1.33 0.00 0.00 177.39 175.46 2jrj n GLU 22 N -2.92 0.46 -2.50 3.23 -0.58 -0.96 -4.92 120.64 112.45 2jrj n GLU 22 Ca -0.20 -2.78 -0.33 0.00 -0.42 0.00 0.00 57.16 53.43 2jrj n GLU 22 Cb 0.63 1.95 -0.04 0.00 -0.57 0.00 0.00 31.44 33.41 2jrj n GLU 22 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2jrj s ASP 23 N -2.97 6.49 -0.05 1.62 2.15 -1.26 -0.07 116.67 122.58 2jrj s ASP 23 Ca 0.26 1.75 -0.11 0.00 0.43 0.00 0.00 52.55 54.88 2jrj s ASP 23 Cb 0.01 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 40.12 2jrj s ASP 23 CO 0.18 -0.68 0.26 -0.63 -0.17 0.00 0.00 175.17 174.13 2jrj s ILE 24 N -2.28 0.04 0.40 4.11 1.01 -1.16 -4.56 121.20 118.76 2jrj s ILE 24 Ca 0.63 -0.34 0.03 0.00 0.00 0.00 0.00 60.65 60.97 2jrj s ILE 24 Cb -0.13 -0.49 -0.01 0.00 0.01 0.00 0.00 42.46 41.85 2jrj s ILE 24 CO 0.24 -0.19 0.10 1.57 0.00 0.00 0.00 174.94 176.66 2jrj n HIS 25 N 1.96 0.38 0.08 3.97 -0.00 -1.26 -4.02 115.22 116.33 2jrj n HIS 25 Ca -0.18 -2.35 -0.06 0.00 0.46 0.00 0.00 57.72 55.58 2jrj n HIS 25 Cb 0.57 -0.09 0.09 0.00 -0.12 0.00 0.00 29.99 30.44 2jrj n HIS 25 CO 0.00 0.00 0.00 1.15 0.46 0.00 0.00 176.34 177.95 2jrj h THR 26 N 1.51 1.40 -2.20 3.57 2.02 -1.99 -3.46 112.91 113.76 2jrj h THR 26 Ca -0.31 -2.07 -0.56 0.00 0.77 0.00 0.00 66.41 64.24 2jrj h THR 26 Cb 1.12 2.06 0.01 0.00 -1.74 0.00 0.00 68.15 69.60 2jrj h THR 26 CO 0.51 0.61 1.28 -0.24 0.37 0.00 0.00 175.52 178.05 2jrj n SER 27 N -3.85 3.83 0.00 4.18 2.88 -1.26 -4.82 113.62 114.59 2jrj n SER 27 Ca -0.03 0.74 0.12 0.00 -1.33 0.00 0.00 58.87 58.38 2jrj n SER 27 Cb 0.65 -1.51 0.61 0.00 -0.75 0.00 0.00 64.21 63.21 2jrj n SER 27 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2jrj n ARG 28 N 7.72 0.26 0.03 -1.46 3.00 -1.26 -1.10 116.66 123.84 2jrj n ARG 28 Ca 0.23 0.06 -0.15 0.00 -0.01 0.00 0.00 57.85 57.97 2jrj n ARG 28 Cb 0.40 -1.50 -0.14 0.00 0.00 0.00 0.00 32.46 31.22 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 0.96 0.00 1.55 2.07 -1.99 -3.39 116.25 115.45 2jrj h VAL 29 Ca 0.00 -2.68 -0.02 0.00 0.82 0.00 0.00 66.70 64.82 2jrj h VAL 29 Cb 0.29 2.61 -0.00 0.00 -1.52 0.00 0.00 31.29 32.67 2jrj h VAL 29 CO 0.00 0.75 -0.12 0.58 0.02 0.00 0.00 177.57 178.80 2jrj h VAL 30 N 0.05 0.79 -3.48 2.57 2.07 -1.91 -3.45 116.25 112.90 2jrj h VAL 30 Ca -0.29 -1.63 -0.60 0.00 0.82 0.00 0.00 66.70 65.00 2jrj h VAL 30 Cb 2.01 1.53 -0.12 0.00 -1.52 0.00 0.00 31.29 33.20 2jrj h VAL 30 CO 0.12 0.27 -0.22 0.00 0.02 0.00 0.00 177.57 177.76 2jrj s ALA 31 N -2.42 3.56 0.19 1.67 0.00 -0.26 -4.51 121.76 120.00 2jrj s ALA 31 Ca -0.11 -0.54 -0.30 0.00 0.00 0.00 0.00 51.96 51.01 2jrj s ALA 31 Cb -0.01 -2.61 -0.09 0.00 0.00 0.00 0.00 23.12 20.41 2jrj s ALA 31 CO 0.34 -0.29 1.39 -1.58 0.00 0.00 0.00 175.76 175.62 2jrj s HIS 32 N 1.28 3.18 -0.32 0.00 2.46 0.12 -4.16 115.29 117.84 2jrj s HIS 32 Ca 0.18 1.05 -0.23 0.00 0.47 0.00 0.00 55.06 56.53 2jrj s HIS 32 Cb -0.15 -3.71 0.00 0.00 -0.13 0.00 0.00 32.58 28.60 2jrj s HIS 32 CO 0.08 -2.35 0.75 0.54 -2.47 0.00 0.00 174.74 171.29 2jrj s VAL 33 N 0.43 4.81 0.72 0.89 0.11 -1.26 -2.05 120.40 124.05 2jrj s VAL 33 Ca 0.61 1.05 -0.14 0.00 -2.93 0.00 0.00 61.98 60.56 2jrj s VAL 33 Cb -0.39 -4.13 0.03 0.00 -1.53 0.00 0.00 36.38 30.37 2jrj s VAL 33 CO 0.37 -0.26 1.15 -0.76 -3.33 0.00 0.00 175.10 172.27 2jrj s LEU 34 N 2.91 3.28 0.32 2.54 1.43 0.16 -4.90 118.68 124.42 2jrj s LEU 34 Ca 0.31 2.16 0.21 0.00 -1.03 0.00 0.00 54.13 55.77 2jrj s LEU 34 Cb -0.14 -4.57 1.12 0.00 0.03 0.00 0.00 46.19 42.63 2jrj s LEU 34 CO 0.13 -2.07 1.62 -2.65 0.23 0.00 0.00 176.35 173.61 2jrj n PRO 35 N -2.79 0.13 -0.40 1.29 -0.02 -1.26 -0.51 135.00 131.44 2jrj n PRO 35 Ca 0.12 0.63 0.11 0.00 -2.02 0.00 0.00 63.50 62.34 2jrj n PRO 35 Cb 0.51 -1.97 0.31 0.00 -0.02 0.00 0.00 33.50 32.34 2jrj n PRO 35 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jrj n GLY 37 N 1.41 0.52 3.88 0.00 0.00 0.33 -5.06 105.19 106.27 2jrj n GLY 37 Ca 0.23 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 45.14 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 3.30 -0.03 1.61 3.76 -1.25 -4.87 115.29 115.80 2jrj s HIS 38 Ca 0.00 0.01 0.03 0.00 -0.15 0.00 0.00 55.06 54.95 2jrj s HIS 38 Cb 0.00 -1.55 -0.03 0.00 1.11 0.00 0.00 32.58 32.11 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 -3.42 2.88 -0.04 0.89 1.43 -1.26 0.37 118.68 119.52 2jrj s LEU 39 Ca 0.33 -0.18 -0.28 0.00 -1.03 0.00 0.00 54.13 52.98 2jrj s LEU 39 Cb -0.10 -1.62 0.06 0.00 0.03 0.00 0.00 46.19 44.56 2jrj s LEU 39 CO 0.26 0.33 0.60 -1.48 0.23 0.00 0.00 176.35 176.29 2jrj s LEU 40 N -0.94 -0.35 0.99 1.79 0.05 -0.87 -4.95 118.68 114.40 2jrj s LEU 40 Ca 0.13 0.58 -0.12 0.00 0.05 0.00 0.00 54.13 54.77 2jrj s LEU 40 Cb -0.11 2.28 0.19 0.00 -2.05 0.00 0.00 46.19 46.50 2jrj s LEU 40 CO 0.02 -0.58 1.08 -1.38 -0.55 0.00 0.00 176.35 174.94 2jrj s HIS 41 N -1.26 1.82 0.04 3.48 0.00 -1.26 0.14 115.29 118.25 2jrj s HIS 41 Ca -0.11 1.36 -0.13 0.00 -3.00 0.00 0.00 55.06 53.18 2jrj s HIS 41 Cb -0.01 -3.19 -0.05 0.00 -4.00 0.00 0.00 32.58 25.33 2jrj s HIS 41 CO 0.08 -3.00 1.21 0.00 -1.00 0.00 0.00 174.74 172.03 2jrj h ARG 42 N -2.00 -0.22 -0.93 -0.38 2.47 -1.97 0.23 114.38 111.59 2jrj h ARG 42 Ca -0.52 0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.26 2jrj h ARG 42 Cb 1.30 0.05 -0.06 0.00 -1.65 0.00 0.00 29.97 29.61 2jrj h ARG 42 CO 0.50 -0.15 0.60 1.15 0.56 0.00 0.00 179.97 182.63 2jrj h THR 43 N -0.23 1.12 0.00 2.04 2.02 -1.99 0.05 112.91 115.92 2jrj h THR 43 Ca 0.01 -0.39 -0.06 0.00 0.77 0.00 0.00 66.41 66.74 2jrj h THR 43 Cb 0.26 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.55 2jrj h THR 43 CO -0.16 0.21 -0.28 0.00 0.37 0.00 0.00 175.52 175.65 2jrj h TYR 45 N 0.00 -0.59 -0.10 0.00 3.20 0.15 -2.21 116.97 117.42 2jrj h TYR 45 Ca -0.00 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.86 2jrj h TYR 45 Cb 0.52 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 2jrj h TYR 45 CO 0.00 -0.29 0.03 0.93 -1.64 0.00 0.00 178.16 177.19 2jrj h GLU 46 N -0.81 0.08 -0.72 1.82 5.08 -1.29 0.31 114.58 119.05 2jrj h GLU 46 Ca -0.06 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2jrj h GLU 46 Cb 0.56 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 2jrj h GLU 46 CO 0.11 0.05 0.42 0.93 -1.00 0.00 0.00 179.01 179.52 2jrj h GLU 47 N 0.08 0.76 -0.25 2.33 4.39 -1.50 0.24 114.58 120.63 2jrj h GLU 47 Ca 0.04 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 2jrj h GLU 47 Cb 0.02 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 2jrj h GLU 47 CO -0.04 0.50 -0.15 1.98 -1.16 0.00 0.00 179.01 180.14 2jrj h MET 48 N 0.78 0.55 -0.23 2.33 4.05 -0.98 -3.21 114.93 118.23 2jrj h MET 48 Ca 0.31 -0.25 -0.08 0.00 -0.28 0.00 0.00 59.70 59.41 2jrj h MET 48 Cb 0.15 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.93 2jrj h MET 48 CO -0.17 0.82 -0.20 1.25 0.23 0.00 0.00 176.91 178.85 2jrj h LEU 49 N 0.27 0.39 -1.57 3.39 7.12 0.27 0.25 115.31 125.44 2jrj h LEU 49 Ca 0.05 -0.11 0.03 0.00 0.13 0.00 0.00 57.88 57.98 2jrj h LEU 49 Cb 0.67 -0.11 -0.03 0.00 -0.53 0.00 0.00 40.66 40.67 2jrj h LEU 49 CO 0.04 0.60 0.32 0.11 -0.13 0.00 0.00 178.44 179.39 2jrj h LYS 50 N 0.36 0.56 0.04 1.25 1.57 -0.54 -3.10 116.57 116.72 2jrj h LYS 50 Ca 0.06 -0.03 -0.38 0.00 -1.87 0.00 0.00 60.65 58.43 2jrj h LYS 50 Cb 0.55 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.69 2jrj h LYS 50 CO 0.04 0.37 -2.27 0.39 -0.57 0.00 0.00 179.45 177.41 2jrj n GLU 51 N -4.47 0.69 -2.04 3.15 1.02 -0.81 -4.99 120.64 113.19 2jrj n GLU 51 Ca 0.05 0.18 -0.16 0.00 -0.02 0.00 0.00 57.16 57.22 2jrj n GLU 51 Cb 0.13 -1.60 -0.03 0.00 -0.02 0.00 0.00 31.44 29.92 2jrj n GLU 51 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jrj n GLY 52 N 2.09 0.29 3.62 0.62 0.00 0.83 -4.99 105.19 107.66 2jrj n GLY 52 Ca -0.39 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.72 0.56 -0.02 1.61 1.13 -1.26 -4.90 117.35 111.76 2jrj s TYR 53 Ca 0.00 0.47 -0.33 0.00 -1.41 0.00 0.00 57.07 55.80 2jrj s TYR 53 Cb 0.00 -3.52 -0.11 0.00 -1.10 0.00 0.00 41.96 37.23 2jrj s TYR 53 CO 0.00 -3.78 1.87 0.54 -2.51 0.00 0.00 175.55 171.67 2jrj n ARG 54 N -4.68 2.39 -2.25 -3.49 5.12 -1.26 -4.89 116.66 107.60 2jrj n ARG 54 Ca 0.13 0.88 -0.41 0.00 -1.93 0.00 0.00 57.85 56.52 2jrj n ARG 54 Cb 0.59 -2.74 -0.03 0.00 -1.16 0.00 0.00 32.46 29.12 2jrj n ARG 54 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jrj n PRO 56 N 8.62 0.14 0.13 0.00 -0.04 -1.26 -1.53 135.00 141.06 2jrj n PRO 56 Ca 0.16 0.46 0.12 0.00 -0.04 0.00 0.00 63.50 64.21 2jrj n PRO 56 Cb 0.49 -1.82 0.47 0.00 -0.04 0.00 0.00 33.50 32.59 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 -2.10 0.76 0.27 1.53 4.32 -1.26 -2.45 117.00 118.07 2jrj n LEU 57 Ca 0.01 0.64 0.13 0.00 -0.02 0.00 0.00 56.01 56.78 2jrj n LEU 57 Cb 0.16 -0.48 0.76 0.00 -1.62 0.00 0.00 43.42 42.23 2jrj n LEU 57 CO 0.15 -0.44 0.99 0.00 -1.22 0.00 0.00 177.39 176.87 2jrj h MET 59 N 0.00 0.00 -6.27 0.00 -1.53 -1.70 -3.44 114.93 102.00 2jrj h MET 59 Ca -0.00 0.00 -0.68 0.00 -3.44 0.00 0.00 59.70 55.58 2jrj h MET 59 Cb 0.30 0.00 -0.18 0.00 -0.55 0.00 0.00 31.60 31.17 2jrj h MET 59 CO 0.01 0.34 -0.71 -1.58 0.14 0.00 0.00 176.91 175.11 2jrj s HIS 60 N -3.63 2.87 0.00 1.39 5.04 -0.66 -5.21 115.29 115.09 2jrj s HIS 60 Ca 0.00 -0.04 0.00 0.00 -1.54 0.00 0.00 55.06 53.48 2jrj s HIS 60 Cb 0.11 -1.63 0.00 0.00 0.04 0.00 0.00 32.58 31.10 2jrj s HIS 60 CO 0.67 0.34 0.00 -1.13 -2.34 0.00 0.00 174.74 172.29