#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 1.76 0.04 3.14 0.01 -1.26 -0.86 113.70 116.53 1nbl s SER 2 Ca 0.00 -0.16 0.06 0.00 1.31 0.00 0.00 55.95 57.17 1nbl s SER 2 Cb 0.00 -0.53 -0.02 0.00 0.21 0.00 0.00 66.02 65.68 1nbl s SER 2 CO 0.00 -0.18 -0.19 0.00 0.41 0.00 0.00 173.24 173.28 1nbl n ARG 5 N 0.69 0.57 -3.67 0.00 1.85 -1.26 -0.17 116.66 114.66 1nbl n ARG 5 Ca -0.15 0.03 -0.06 0.00 -1.00 0.00 0.00 57.85 56.67 1nbl n ARG 5 Cb 0.53 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.43 1nbl n ARG 5 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1nbl s ASN 6 N -2.28 -0.27 0.50 2.89 6.03 -1.26 -4.46 114.94 116.10 1nbl s ASN 6 Ca 0.30 -0.29 0.22 0.00 -1.03 0.00 0.00 52.86 52.06 1nbl s ASN 6 Cb 0.17 0.50 1.31 0.00 -3.03 0.00 0.00 41.25 40.19 1nbl s ASN 6 CO 0.32 -0.88 2.07 0.74 -2.03 0.00 0.00 177.10 177.32 1nbl h THR 7 N 2.00 0.82 -0.34 0.54 2.02 -1.94 0.17 112.91 116.18 1nbl h THR 7 Ca -0.24 -0.46 0.07 0.00 0.77 0.00 0.00 66.41 66.55 1nbl h THR 7 Cb 1.24 1.27 -0.07 0.00 -1.74 0.00 0.00 68.15 68.86 1nbl h THR 7 CO 0.28 0.12 -0.10 0.25 0.37 0.00 0.00 175.52 176.43 1nbl h LEU 8 N 0.00 -0.37 -0.13 2.58 6.46 -1.98 0.50 115.31 122.37 1nbl h LEU 8 Ca -0.00 0.11 -0.24 0.00 -0.12 0.00 0.00 57.88 57.63 1nbl h LEU 8 Cb 0.26 0.23 0.01 0.00 -0.73 0.00 0.00 40.66 40.43 1nbl h LEU 8 CO 0.02 -0.13 -0.92 0.00 -0.62 0.00 0.00 178.44 176.78 1nbl h ALA 9 N 1.31 0.28 -0.86 1.25 0.00 -1.18 -0.29 119.26 119.77 1nbl h ALA 9 Ca 0.17 -0.67 0.18 0.00 0.00 0.00 0.00 54.91 54.59 1nbl h ALA 9 Cb 0.28 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.97 1nbl h ALA 9 CO -0.37 0.73 0.40 -0.09 0.00 0.00 0.00 179.25 179.92 1nbl h ARG 10 N 0.38 0.47 0.06 0.00 9.65 -0.84 0.41 114.38 124.51 1nbl h ARG 10 Ca -0.09 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.76 1nbl h ARG 10 Cb 1.56 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 30.03 1nbl h ARG 10 CO 0.18 0.31 -0.03 -0.91 2.80 0.00 0.00 179.97 182.32 1nbl h ASN 11 N 0.48 -0.07 -0.90 -3.80 2.35 -0.23 0.65 115.58 114.06 1nbl h ASN 11 Ca 0.51 -0.40 0.24 0.00 -0.55 0.00 0.00 56.30 56.10 1nbl h ASN 11 Cb 0.86 0.02 -0.14 0.00 0.05 0.00 0.00 38.32 39.12 1nbl h ASN 11 CO -0.46 0.38 0.34 0.00 -1.65 0.00 0.00 177.43 176.05 1nbl h TYR 13 N 0.30 0.33 -0.20 0.00 5.03 0.04 0.45 116.97 122.91 1nbl h TYR 13 Ca 0.58 -0.13 -0.04 0.00 2.58 0.00 0.00 58.73 61.72 1nbl h TYR 13 Cb 1.17 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 39.38 1nbl h TYR 13 CO -0.18 0.81 -0.06 -0.91 -1.32 0.00 0.00 178.16 176.50 1nbl h ASN 14 N -0.25 0.28 -0.07 -2.11 2.35 -0.71 -0.38 115.58 114.69 1nbl h ASN 14 Ca -0.01 -0.05 -0.15 0.00 -0.55 0.00 0.00 56.30 55.55 1nbl h ASN 14 Cb 0.81 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 39.12 1nbl h ASN 14 CO 0.04 0.39 -0.55 0.00 -1.65 0.00 0.00 177.43 175.66 1nbl h ALA 15 N 1.65 0.16 -0.32 -0.83 0.00 -0.75 -0.90 119.26 118.27 1nbl h ALA 15 Ca 0.06 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1nbl h ALA 15 Cb 0.30 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1nbl h ALA 15 CO 0.01 0.38 0.02 0.00 0.00 0.00 0.00 179.25 179.66 1nbl h ARG 17 N 0.46 0.12 0.61 0.00 9.65 -1.03 -1.85 114.38 122.34 1nbl h ARG 17 Ca 0.10 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 58.90 1nbl h ARG 17 Cb 0.28 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 1nbl h ARG 17 CO 0.01 0.52 -0.30 0.35 2.80 0.00 0.00 179.97 183.35 1nbl h PHE 18 N 0.10 -0.78 -3.21 2.20 3.04 -0.45 -3.46 116.94 114.38 1nbl h PHE 18 Ca 0.01 -0.02 -0.39 0.00 3.98 0.00 0.00 57.97 61.55 1nbl h PHE 18 Cb 0.78 0.26 0.21 0.00 2.56 0.00 0.00 35.95 39.76 1nbl h PHE 18 CO 0.01 -0.48 -0.02 0.95 -2.02 0.00 0.00 178.31 176.74 1nbl s THR 19 N -6.07 1.35 -0.15 4.41 -4.23 0.26 -4.91 115.64 106.31 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 -2.23 0.14 0.00 1.34 0.00 0.00 72.50 71.79 1nbl s THR 19 CO 0.62 0.00 1.15 0.61 -0.54 0.00 0.00 174.62 176.47 1nbl n GLY 20 N 0.50 2.45 3.54 3.99 0.00 -1.26 -4.71 105.19 109.69 1nbl n GLY 20 Ca 0.13 -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 0.48 1.93 1.17 -0.02 0.00 -1.22 -5.09 107.32 104.58 1nbl s GLY 21 Ca 0.11 -1.30 -0.13 0.00 0.00 0.00 0.00 44.72 43.41 1nbl s GLY 21 CO 0.02 0.90 1.00 1.44 0.00 0.00 0.00 173.10 176.46 1nbl n SER 22 N 5.26 -1.66 -0.26 1.64 7.64 -1.26 -4.01 113.62 120.97 1nbl n SER 22 Ca -0.11 -0.14 -0.05 0.00 1.01 0.00 0.00 58.87 59.58 1nbl n SER 22 Cb 0.49 -1.26 0.05 0.00 -1.01 0.00 0.00 64.21 62.48 1nbl n SER 22 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1nbl h GLN 23 N -2.65 0.98 0.09 1.43 4.15 -1.97 0.15 115.11 117.28 1nbl h GLN 23 Ca -0.61 -0.10 0.02 0.00 0.77 0.00 0.00 58.65 58.74 1nbl h GLN 23 Cb 1.33 -0.20 -0.04 0.00 0.21 0.00 0.00 27.48 28.78 1nbl h GLN 23 CO 0.48 0.70 -0.32 -1.35 -1.93 0.00 0.00 178.83 176.42 1nbl h PRO 24 N 0.97 -0.51 -0.90 -2.39 0.11 -1.97 -1.41 132.00 125.90 1nbl h PRO 24 Ca 0.25 0.03 0.19 0.00 0.11 0.00 0.00 66.00 66.59 1nbl h PRO 24 Cb -0.01 0.12 -0.07 0.00 0.11 0.00 0.00 31.00 31.14 1nbl h PRO 24 CO -0.05 -0.34 0.59 1.15 -0.21 0.00 0.00 178.00 179.14 1nbl h THR 25 N -0.53 0.70 0.41 -1.15 2.02 -1.70 0.46 112.91 113.12 1nbl h THR 25 Ca 0.04 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 1nbl h THR 25 Cb 0.57 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1nbl h THR 25 CO -0.21 0.08 -0.20 0.00 0.37 0.00 0.00 175.52 175.57 1nbl h GLY 27 N -0.91 0.00 0.00 0.00 0.00 -0.33 -0.80 103.07 101.03 1nbl h GLY 27 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1nbl h GLY 27 CO 0.09 0.00 -0.38 -2.22 0.00 0.00 0.00 176.54 174.03 1nbl h ILE 28 N 0.00 0.00 -0.46 2.60 2.04 0.03 0.23 117.51 121.95 1nbl h ILE 28 Ca 0.00 -0.84 -0.03 0.00 1.00 0.00 0.00 64.86 64.99 1nbl h ILE 28 Cb 0.06 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.12 1nbl h ILE 28 CO 0.00 0.00 0.17 -0.07 0.00 0.00 0.00 178.15 178.25 1nbl h LEU 29 N -0.84 0.64 -0.05 1.44 3.38 -0.62 -0.37 115.31 118.89 1nbl h LEU 29 Ca 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1nbl h LEU 29 Cb 0.38 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1nbl h LEU 29 CO 0.00 0.65 -0.05 0.00 0.09 0.00 0.00 178.44 179.13 1nbl n ASP 31 N -1.24 -6.10 -4.86 0.00 2.03 -0.15 -4.56 116.55 101.66 1nbl n ASP 31 Ca 0.13 -0.33 -0.32 0.00 0.52 0.00 0.00 54.79 54.79 1nbl n ASP 31 Cb 0.27 -4.88 -0.06 0.00 -0.72 0.00 0.00 41.12 35.73 1nbl n ASP 31 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nbl s ILE 33 N -1.87 0.65 -0.55 0.00 -0.00 0.11 -4.36 121.20 115.18 1nbl s ILE 33 Ca 0.50 -0.93 -0.18 0.00 -0.00 0.00 0.00 60.65 60.04 1nbl s ILE 33 Cb -0.11 -0.66 0.10 0.00 -0.00 0.00 0.00 42.46 41.79 1nbl s ILE 33 CO 0.20 -0.22 0.60 -2.28 -0.00 0.00 0.00 174.94 173.23 1nbl s HIS 34 N -1.06 3.11 0.16 1.37 2.46 -1.26 -1.18 115.29 118.89 1nbl s HIS 34 Ca -0.05 -1.00 -0.12 0.00 0.47 0.00 0.00 55.06 54.35 1nbl s HIS 34 Cb -0.08 -3.79 -0.07 0.00 -0.13 0.00 0.00 32.58 28.51 1nbl s HIS 34 CO 0.01 -1.12 0.53 0.14 -2.47 0.00 0.00 174.74 171.83 1nbl s VAL 35 N 2.23 4.91 -0.61 0.89 -7.23 -0.04 -4.94 120.40 115.61 1nbl s VAL 35 Ca 0.08 0.68 0.02 0.00 -1.81 0.00 0.00 61.98 60.96 1nbl s VAL 35 Cb -0.25 -3.69 0.39 0.00 0.56 0.00 0.00 36.38 33.39 1nbl s VAL 35 CO 0.06 0.16 1.48 0.35 -0.31 0.00 0.00 175.10 176.85 1nbl n THR 36 N 0.56 2.89 -1.48 5.32 -2.24 -1.26 -2.20 114.28 115.86 1nbl n THR 36 Ca -0.04 -4.69 -0.30 0.00 -2.27 0.00 0.00 64.05 56.75 1nbl n THR 36 Cb 0.52 -1.26 0.20 0.00 -2.10 0.00 0.00 70.33 67.69 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 -5.34 1.83 0.08 4.28 2.01 -1.26 -5.00 115.64 112.24 1nbl s THR 37 Ca 0.50 0.00 -0.23 0.00 0.31 0.00 0.00 61.69 62.27 1nbl s THR 37 Cb 0.41 -2.73 -0.14 0.00 0.01 0.00 0.00 72.50 70.05 1nbl s THR 37 CO -0.28 0.00 1.68 0.74 -0.69 0.00 0.00 174.62 176.07 1nbl h THR 38 N -2.02 1.06 -2.99 -0.82 2.02 -2.05 -3.48 112.91 104.64 1nbl h THR 38 Ca -0.46 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 66.55 1nbl h THR 38 Cb 1.28 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.80 1nbl h THR 38 CO 0.41 0.05 0.27 -0.89 0.37 0.00 0.00 175.52 175.73 1nbl s THR 39 N -5.92 0.00 0.07 3.16 2.01 -1.26 -5.14 115.64 108.56 1nbl s THR 39 Ca -0.13 -0.99 -0.32 0.00 0.31 0.00 0.00 61.69 60.55 1nbl s THR 39 Cb 0.06 -2.65 -0.11 0.00 0.01 0.00 0.00 72.50 69.81 1nbl s THR 39 CO 0.67 0.00 1.83 0.00 -0.69 0.00 0.00 174.62 176.43 1nbl s PRO 41 N 3.00 0.86 0.36 0.00 0.04 -1.21 -4.78 135.00 133.28 1nbl s PRO 41 Ca 0.85 0.32 0.09 0.00 0.04 0.00 0.00 61.00 62.30 1nbl s PRO 41 Cb -0.56 -1.80 0.82 0.00 0.04 0.00 0.00 34.50 33.01 1nbl s PRO 41 CO 0.41 -2.39 1.89 1.03 0.04 0.00 0.00 177.00 177.98 1nbl h SER 42 N -1.64 0.63 0.42 6.66 0.87 -1.96 -1.97 113.55 116.57 1nbl h SER 42 Ca -0.52 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.02 1nbl h SER 42 Cb 1.33 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 63.19 1nbl h SER 42 CO 0.60 0.34 -0.26 0.28 -0.53 0.00 0.00 176.83 177.26 1nbl h SER 43 N 0.68 0.00 -1.94 6.23 0.02 -1.99 -3.38 113.55 113.17 1nbl h SER 43 Ca 0.41 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.93 1nbl h SER 43 Cb 0.64 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 62.87 1nbl h SER 43 CO -0.18 0.26 -0.80 -1.00 -1.14 0.00 0.00 176.83 173.98 1nbl s HIS 44 N -4.16 0.14 0.37 3.45 3.76 -0.77 -4.73 115.29 113.34 1nbl s HIS 44 Ca -0.02 -1.60 0.20 0.00 -0.15 0.00 0.00 55.06 53.49 1nbl s HIS 44 Cb 0.14 -0.50 1.07 0.00 1.11 0.00 0.00 32.58 34.40 1nbl s HIS 44 CO 0.67 -0.97 1.94 -1.00 -0.85 0.00 0.00 174.74 174.53 1nbl h PRO 45 N 5.74 0.00 -0.01 8.40 0.13 -1.25 -3.22 132.00 141.79 1nbl h PRO 45 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1nbl h PRO 45 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1nbl h PRO 45 CO 0.24 0.23 0.00 0.45 -0.23 0.00 0.00 178.00 178.69