#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nbl s SER 2 N 0.00 1.02 0.09 3.14 0.01 -1.26 -0.60 113.70 116.10 1nbl s SER 2 Ca 0.00 0.07 0.08 0.00 1.31 0.00 0.00 55.95 57.41 1nbl s SER 2 Cb 0.00 -0.14 -0.03 0.00 0.21 0.00 0.00 66.02 66.05 1nbl s SER 2 CO 0.00 -0.23 -0.22 0.00 0.41 0.00 0.00 173.24 173.20 1nbl h ARG 5 N 2.74 0.08 -3.09 0.00 2.47 -1.82 0.91 114.38 115.67 1nbl h ARG 5 Ca -0.47 -0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.28 1nbl h ARG 5 Cb 1.21 -0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 29.44 1nbl h ARG 5 CO 0.57 0.05 0.18 -0.80 0.56 0.00 0.00 179.97 180.53 1nbl s ASN 6 N -6.48 -0.29 0.23 7.04 0.01 -1.26 -4.15 114.94 110.03 1nbl s ASN 6 Ca -0.06 -0.54 0.02 0.00 -0.71 0.00 0.00 52.86 51.58 1nbl s ASN 6 Cb 0.19 0.68 0.23 0.00 0.41 0.00 0.00 41.25 42.76 1nbl s ASN 6 CO 0.72 -1.25 1.56 0.74 -1.51 0.00 0.00 177.10 177.36 1nbl h THR 7 N 2.04 1.35 -0.46 1.60 2.02 -1.90 0.16 112.91 117.72 1nbl h THR 7 Ca -0.23 -1.86 0.09 0.00 0.77 0.00 0.00 66.41 65.18 1nbl h THR 7 Cb 1.26 1.88 -0.09 0.00 -1.74 0.00 0.00 68.15 69.47 1nbl h THR 7 CO 0.28 0.56 -0.10 0.25 0.37 0.00 0.00 175.52 176.88 1nbl h LEU 8 N 0.27 -0.40 -0.27 2.58 6.46 -1.98 0.13 115.31 122.10 1nbl h LEU 8 Ca 0.00 0.14 -0.21 0.00 -0.12 0.00 0.00 57.88 57.69 1nbl h LEU 8 Cb 1.07 0.27 0.00 0.00 -0.73 0.00 0.00 40.66 41.27 1nbl h LEU 8 CO 0.09 -0.14 -0.79 0.00 -0.62 0.00 0.00 178.44 176.98 1nbl h ALA 9 N 1.46 0.44 -0.78 1.25 0.00 -1.67 0.48 119.26 120.44 1nbl h ALA 9 Ca 0.22 -0.62 0.03 0.00 0.00 0.00 0.00 54.91 54.54 1nbl h ALA 9 Cb 0.34 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1nbl h ALA 9 CO -0.46 0.74 0.50 -0.09 0.00 0.00 0.00 179.25 179.93 1nbl h ARG 10 N 0.36 0.93 0.24 0.00 2.43 -0.72 0.21 114.38 117.84 1nbl h ARG 10 Ca -0.05 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1nbl h ARG 10 Cb 1.40 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1nbl h ARG 10 CO 0.15 0.62 -0.12 -0.91 -1.51 0.00 0.00 179.97 178.20 1nbl h ASN 11 N 0.96 -0.27 -0.74 -3.80 2.35 -0.19 0.18 115.58 114.07 1nbl h ASN 11 Ca 0.32 -0.07 0.17 0.00 -0.55 0.00 0.00 56.30 56.16 1nbl h ASN 11 Cb 0.03 0.07 -0.12 0.00 0.05 0.00 0.00 38.32 38.34 1nbl h ASN 11 CO -0.12 -0.10 0.06 0.00 -1.65 0.00 0.00 177.43 175.62 1nbl h TYR 13 N 0.15 0.60 -0.07 0.00 5.03 -0.27 0.46 116.97 122.87 1nbl h TYR 13 Ca 0.41 -0.12 -0.08 0.00 2.58 0.00 0.00 58.73 61.52 1nbl h TYR 13 Cb 0.72 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.85 1nbl h TYR 13 CO -0.37 0.72 -0.32 -0.91 -1.32 0.00 0.00 178.16 175.97 1nbl h ASN 14 N 0.30 0.13 -0.13 -2.11 2.35 -0.47 -0.48 115.58 115.18 1nbl h ASN 14 Ca 0.07 -0.04 -0.17 0.00 -0.55 0.00 0.00 56.30 55.62 1nbl h ASN 14 Cb 0.52 -0.03 0.01 0.00 0.05 0.00 0.00 38.32 38.86 1nbl h ASN 14 CO 0.02 0.45 -0.57 0.00 -1.65 0.00 0.00 177.43 175.68 1nbl h ALA 15 N 1.57 0.24 -0.32 -0.83 0.00 -0.60 0.05 119.26 119.37 1nbl h ALA 15 Ca 0.01 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 1nbl h ALA 15 Cb 0.62 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1nbl h ALA 15 CO 0.05 0.47 -0.00 0.00 0.00 0.00 0.00 179.25 179.77 1nbl h ARG 17 N 0.47 0.07 0.58 0.00 9.65 -0.99 -1.76 114.38 122.39 1nbl h ARG 17 Ca 0.10 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.92 1nbl h ARG 17 Cb 0.31 -0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.89 1nbl h ARG 17 CO 0.01 0.48 -0.28 0.35 2.80 0.00 0.00 179.97 183.33 1nbl h PHE 18 N 0.06 -0.72 -3.19 2.20 3.04 -0.32 -3.46 116.94 114.55 1nbl h PHE 18 Ca 0.00 -0.02 -0.39 0.00 3.98 0.00 0.00 57.97 61.55 1nbl h PHE 18 Cb 0.77 0.24 0.21 0.00 2.56 0.00 0.00 35.95 39.73 1nbl h PHE 18 CO 0.00 -0.44 -0.03 0.95 -2.02 0.00 0.00 178.31 176.78 1nbl s THR 19 N -5.98 1.29 -0.17 4.41 -4.23 0.26 -4.91 115.64 106.30 1nbl s THR 19 Ca -0.17 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.35 1nbl s THR 19 Cb 0.04 -2.24 0.14 0.00 1.34 0.00 0.00 72.50 71.78 1nbl s THR 19 CO 0.62 0.00 1.14 0.61 -0.54 0.00 0.00 174.62 176.45 1nbl n GLY 20 N 0.50 2.44 3.52 3.99 0.00 -1.26 -4.73 105.19 109.65 1nbl n GLY 20 Ca 0.14 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1nbl n GLY 20 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nbl s GLY 21 N 0.45 1.94 1.23 -0.02 0.00 -1.21 -5.09 107.32 104.63 1nbl s GLY 21 Ca 0.12 -1.36 -0.15 0.00 0.00 0.00 0.00 44.72 43.32 1nbl s GLY 21 CO 0.02 0.90 0.86 1.44 0.00 0.00 0.00 173.10 176.32 1nbl n SER 22 N 5.25 -2.32 -0.25 1.64 7.64 -1.26 -4.02 113.62 120.30 1nbl n SER 22 Ca -0.11 -0.31 -0.04 0.00 1.01 0.00 0.00 58.87 59.42 1nbl n SER 22 Cb 0.49 -1.17 0.06 0.00 -1.01 0.00 0.00 64.21 62.59 1nbl n SER 22 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1nbl h GLN 23 N -2.83 0.88 0.40 1.43 4.20 -1.97 0.50 115.11 117.72 1nbl h GLN 23 Ca -0.59 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.05 1nbl h GLN 23 Cb 1.33 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.91 1nbl h GLN 23 CO 0.45 0.58 -0.25 -1.35 -0.67 0.00 0.00 178.83 177.59 1nbl h PRO 24 N 0.90 -0.60 -0.88 1.46 0.11 -1.98 -1.85 132.00 129.17 1nbl h PRO 24 Ca 0.27 0.04 0.20 0.00 0.11 0.00 0.00 66.00 66.61 1nbl h PRO 24 Cb -0.05 0.14 -0.06 0.00 0.11 0.00 0.00 31.00 31.13 1nbl h PRO 24 CO -0.08 -0.40 0.58 1.15 -0.21 0.00 0.00 178.00 179.04 1nbl h THR 25 N -0.63 0.69 0.52 -1.15 2.02 -1.75 0.44 112.91 113.06 1nbl h THR 25 Ca -0.04 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 1nbl h THR 25 Cb 0.52 0.27 0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1nbl h THR 25 CO 0.04 0.07 -0.25 0.00 0.37 0.00 0.00 175.52 175.75 1nbl h GLY 27 N -1.10 0.00 0.00 0.00 0.00 -0.46 -0.46 103.07 101.05 1nbl h GLY 27 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1nbl h GLY 27 CO 0.12 0.00 -0.27 -2.22 0.00 0.00 0.00 176.54 174.17 1nbl h ILE 28 N 0.00 0.00 -0.59 2.60 2.04 -0.05 0.30 117.51 121.81 1nbl h ILE 28 Ca 0.00 -0.72 -0.06 0.00 1.00 0.00 0.00 64.86 65.09 1nbl h ILE 28 Cb 0.20 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 1nbl h ILE 28 CO 0.00 0.00 0.15 -0.07 0.00 0.00 0.00 178.15 178.23 1nbl h LEU 29 N -0.72 0.89 -0.42 1.44 3.38 -0.64 -0.63 115.31 118.62 1nbl h LEU 29 Ca 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1nbl h LEU 29 Cb 0.27 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1nbl h LEU 29 CO 0.00 0.89 -0.08 0.00 0.09 0.00 0.00 178.44 179.34 1nbl n ASP 31 N -0.63 -6.23 -4.97 0.00 9.92 -0.24 -4.63 116.55 109.77 1nbl n ASP 31 Ca 0.17 -0.42 -0.21 0.00 -0.53 0.00 0.00 54.79 53.79 1nbl n ASP 31 Cb 0.28 -4.94 0.03 0.00 -0.64 0.00 0.00 41.12 35.84 1nbl n ASP 31 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nbl n ILE 33 N -2.21 0.00 -3.80 0.00 -5.35 -0.46 -4.39 119.36 103.15 1nbl n ILE 33 Ca 0.05 0.00 -0.26 0.00 -0.27 0.00 0.00 62.75 62.27 1nbl n ILE 33 Cb 0.59 0.00 -0.17 0.00 -1.74 0.00 0.00 39.64 38.32 1nbl n ILE 33 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1nbl s HIS 34 N -1.16 1.11 -0.08 4.28 5.65 -1.26 -3.39 115.29 120.44 1nbl s HIS 34 Ca 0.00 -0.65 -0.04 0.00 0.25 0.00 0.00 55.06 54.62 1nbl s HIS 34 Cb 0.00 -1.04 -0.04 0.00 -1.18 0.00 0.00 32.58 30.32 1nbl s HIS 34 CO 0.00 -0.50 0.09 0.14 -0.65 0.00 0.00 174.74 173.82 1nbl s VAL 35 N 1.83 4.97 -0.69 0.89 -7.23 0.23 -4.94 120.40 115.46 1nbl s VAL 35 Ca 0.02 -0.07 0.01 0.00 -1.81 0.00 0.00 61.98 60.13 1nbl s VAL 35 Cb -0.14 -3.17 0.38 0.00 0.56 0.00 0.00 36.38 34.00 1nbl s VAL 35 CO -0.07 0.55 1.62 0.35 -0.31 0.00 0.00 175.10 177.24 1nbl n THR 36 N 1.83 3.22 -1.48 5.32 -2.24 -1.26 -1.35 114.28 118.32 1nbl n THR 36 Ca -0.18 -4.67 -0.30 0.00 -2.27 0.00 0.00 64.05 56.63 1nbl n THR 36 Cb 0.54 -1.27 0.21 0.00 -2.10 0.00 0.00 70.33 67.71 1nbl n THR 36 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1nbl s THR 37 N -5.21 1.79 0.12 4.28 2.01 -1.26 -4.99 115.64 112.38 1nbl s THR 37 Ca 0.50 0.00 -0.24 0.00 0.31 0.00 0.00 61.69 62.26 1nbl s THR 37 Cb 0.41 -2.73 -0.06 0.00 0.01 0.00 0.00 72.50 70.12 1nbl s THR 37 CO -0.31 0.00 1.67 0.74 -0.69 0.00 0.00 174.62 176.04 1nbl h THR 38 N -2.14 0.63 -2.95 -0.82 2.02 -2.05 -3.48 112.91 104.13 1nbl h THR 38 Ca -0.45 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.75 1nbl h THR 38 Cb 1.27 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1nbl h THR 38 CO 0.36 0.00 0.30 -0.89 0.37 0.00 0.00 175.52 175.66 1nbl s THR 39 N -6.14 0.00 -0.49 3.16 2.01 -1.26 -5.13 115.64 107.79 1nbl s THR 39 Ca -0.14 -0.96 -0.47 0.00 0.31 0.00 0.00 61.69 60.43 1nbl s THR 39 Cb 0.09 -2.72 -0.20 0.00 0.01 0.00 0.00 72.50 69.68 1nbl s THR 39 CO 0.67 0.00 1.60 0.00 -0.69 0.00 0.00 174.62 176.20 1nbl s PRO 41 N 3.01 -0.10 0.33 0.00 0.04 -1.04 -4.81 135.00 132.42 1nbl s PRO 41 Ca 1.05 -0.16 0.03 0.00 0.04 0.00 0.00 61.00 61.96 1nbl s PRO 41 Cb -1.48 -1.74 0.61 0.00 0.04 0.00 0.00 34.50 31.93 1nbl s PRO 41 CO 0.81 -2.95 1.93 0.77 0.04 0.00 0.00 177.00 177.61 1nbl h SER 42 N -2.03 0.81 0.96 6.66 0.02 -1.98 -2.90 113.55 115.09 1nbl h SER 42 Ca -0.45 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.40 1nbl h SER 42 Cb 1.27 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 1nbl h SER 42 CO 0.40 0.52 -0.47 -1.28 -1.14 0.00 0.00 176.83 174.87 1nbl h SER 43 N 0.92 0.00 -2.63 3.07 0.87 -1.97 -3.40 113.55 110.41 1nbl h SER 43 Ca 0.35 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.37 1nbl h SER 43 Cb 0.21 0.00 -0.39 0.00 -0.44 0.00 0.00 62.40 61.78 1nbl h SER 43 CO -0.12 0.47 -0.81 -1.00 -0.53 0.00 0.00 176.83 174.84 1nbl s HIS 44 N -3.42 0.47 0.15 2.24 3.76 -1.10 -4.60 115.29 112.79 1nbl s HIS 44 Ca 0.01 -1.23 -0.05 0.00 -0.15 0.00 0.00 55.06 53.64 1nbl s HIS 44 Cb 0.10 -0.87 -0.01 0.00 1.11 0.00 0.00 32.58 32.91 1nbl s HIS 44 CO 0.71 -0.84 1.40 -1.00 -0.85 0.00 0.00 174.74 174.16 1nbl h PRO 45 N 7.65 0.54 -0.01 8.40 0.13 -1.31 -2.76 132.00 144.64 1nbl h PRO 45 Ca -0.06 -0.44 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1nbl h PRO 45 Cb 0.99 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1nbl h PRO 45 CO 0.34 1.06 0.00 0.45 -0.23 0.00 0.00 178.00 179.62