#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 0.68 0.09 3.14 0.01 -1.26 -0.60 113.70 115.76 1nbl s SER 2 Ca 0.00 -0.04 0.07 0.00 1.31 0.00 0.00 55.95 57.29 1nbl s SER 2 Cb 0.00 -0.28 -0.03 0.00 0.21 0.00 0.00 66.02 65.92 1nbl s SER 2 CO 0.00 -0.11 -0.19 0.00 0.41 0.00 0.00 173.24 173.34 1nbl n ARG 5 N 0.48 0.69 -3.70 0.00 1.85 -1.25 -0.14 116.66 114.59 1nbl n ARG 5 Ca -0.13 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.65 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 -2.30 -0.31 0.49 2.89 6.03 -1.26 -4.49 114.94 115.99 1nbl s ASN 6 Ca 0.37 -0.35 0.20 0.00 -1.03 0.00 0.00 52.86 52.05 1nbl s ASN 6 Cb 0.21 0.59 1.25 0.00 -3.03 0.00 0.00 41.25 40.26 1nbl s ASN 6 CO 0.41 -1.05 2.06 0.74 -2.03 0.00 0.00 177.10 177.23 1nbl h THR 7 N 2.00 0.89 -0.36 0.54 2.02 -1.90 0.18 112.91 116.29 1nbl h THR 7 Ca -0.24 -0.48 0.07 0.00 0.77 0.00 0.00 66.41 66.53 1nbl h THR 7 Cb 1.25 1.27 -0.07 0.00 -1.74 0.00 0.00 68.15 68.87 1nbl h THR 7 CO 0.28 0.13 -0.10 0.25 0.37 0.00 0.00 175.52 176.45 1nbl h LEU 8 N 0.00 -0.35 -0.18 2.58 6.46 -1.98 0.78 115.31 122.61 1nbl h LEU 8 Ca -0.00 0.11 -0.23 0.00 -0.12 0.00 0.00 57.88 57.64 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 -0.90 0.00 -0.62 0.00 0.00 178.44 176.81 1nbl h ALA 9 N 1.34 0.35 -0.85 1.25 0.00 -1.19 -0.48 119.26 119.69 1nbl h ALA 9 Ca 0.17 -0.67 0.14 0.00 0.00 0.00 0.00 54.91 54.55 1nbl h ALA 9 Cb 0.27 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.96 1nbl h ALA 9 CO -0.37 0.76 0.45 -0.09 0.00 0.00 0.00 179.25 180.00 1nbl h ARG 10 N 0.31 0.63 0.07 0.00 9.65 -0.82 0.38 114.38 124.60 1nbl h ARG 10 Ca -0.08 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.76 1nbl h ARG 10 Cb 1.53 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.97 1nbl h ARG 10 CO 0.16 0.41 -0.03 -0.91 2.80 0.00 0.00 179.97 182.41 1nbl h ASN 11 N 0.65 -0.08 -0.85 -3.80 2.35 -0.18 0.89 115.58 114.56 1nbl h ASN 11 Ca 0.46 -0.39 0.20 0.00 -0.55 0.00 0.00 56.30 56.02 1nbl h ASN 11 Cb 0.63 0.02 -0.12 0.00 0.05 0.00 0.00 38.32 38.90 1nbl h ASN 11 CO -0.35 0.37 0.31 0.00 -1.65 0.00 0.00 177.43 176.11 1nbl h TYR 13 N 0.34 0.07 -0.54 0.00 5.03 -0.03 0.45 116.97 122.29 1nbl h TYR 13 Ca 0.52 -0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.83 1nbl h TYR 13 Cb 0.97 -0.01 -0.03 0.00 1.55 0.00 0.00 36.73 39.20 1nbl h TYR 13 CO -0.19 0.51 0.36 -0.91 -1.32 0.00 0.00 178.16 176.61 1nbl h ASN 14 N -0.40 0.57 -0.13 -2.11 2.35 -0.65 0.97 115.58 116.19 1nbl h ASN 14 Ca 0.00 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.63 1nbl h ASN 14 Cb 0.50 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1nbl h ASN 14 CO 0.01 0.40 -0.36 0.00 -1.65 0.00 0.00 177.43 175.82 1nbl h ALA 15 N 1.68 0.21 -0.07 -0.83 0.00 -0.79 -0.58 119.26 118.88 1nbl h ALA 15 Ca 0.21 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1nbl h ALA 15 Cb 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1nbl h ALA 15 CO -0.05 0.29 -0.32 0.00 0.00 0.00 0.00 179.25 179.16 1nbl h ARG 17 N 0.12 0.00 0.56 0.00 2.47 -0.81 -2.14 114.38 114.58 1nbl h ARG 17 Ca 0.02 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.71 1nbl h ARG 17 Cb 0.63 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.96 1nbl h ARG 17 CO 0.05 0.38 -0.27 0.35 0.56 0.00 0.00 179.97 181.04 1nbl h PHE 18 N 0.00 -0.70 -3.20 3.04 3.04 -0.22 -3.47 116.94 115.43 1nbl h PHE 18 Ca -0.00 -0.02 -0.40 0.00 3.98 0.00 0.00 57.97 61.53 1nbl h PHE 18 Cb 0.83 0.23 0.21 0.00 2.56 0.00 0.00 35.95 39.78 1nbl h PHE 18 CO 0.00 -0.37 -0.03 0.95 -2.02 0.00 0.00 178.31 176.83 1nbl s THR 19 N -5.31 1.41 -0.10 4.41 -4.23 0.29 -4.91 115.64 107.21 1nbl s THR 19 Ca -0.16 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.36 1nbl s THR 19 Cb 0.03 -2.19 0.15 0.00 1.34 0.00 0.00 72.50 71.83 1nbl s THR 19 CO 0.55 0.00 1.21 0.61 -0.54 0.00 0.00 174.62 176.46 1nbl n GLY 20 N 0.66 2.57 3.54 3.99 0.00 -1.26 -4.72 105.19 109.98 1nbl n GLY 20 Ca 0.11 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 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 1.94 1.16 -0.02 0.00 -1.23 -5.09 107.32 104.56 1nbl s GLY 21 Ca 0.13 -1.29 -0.13 0.00 0.00 0.00 0.00 44.72 43.44 1nbl s GLY 21 CO 0.02 0.85 1.03 -0.56 0.00 0.00 0.00 173.10 174.44 1nbl s SER 22 N 1.73 1.02 0.20 1.64 0.01 -1.26 -4.11 113.70 112.92 1nbl s SER 22 Ca 0.08 1.51 -0.11 0.00 1.31 0.00 0.00 55.95 58.74 1nbl s SER 22 Cb -0.17 -2.28 0.13 0.00 0.21 0.00 0.00 66.02 63.91 1nbl s SER 22 CO 0.11 -4.17 1.83 -0.61 0.41 0.00 0.00 173.24 170.81 1nbl h GLN 23 N -2.60 0.96 0.12 12.44 4.15 -1.98 0.32 115.11 128.52 1nbl h GLN 23 Ca -0.61 -0.09 0.02 0.00 0.77 0.00 0.00 58.65 58.73 1nbl h GLN 23 Cb 1.33 -0.20 -0.04 0.00 0.21 0.00 0.00 27.48 28.79 1nbl h GLN 23 CO 0.51 0.69 -0.31 -1.35 -1.93 0.00 0.00 178.83 176.44 1nbl h PRO 24 N 0.96 -0.51 -0.91 -2.39 0.11 -1.97 -1.35 132.00 125.93 1nbl h PRO 24 Ca 0.25 0.04 0.19 0.00 0.11 0.00 0.00 66.00 66.58 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 0.72 0.39 -1.15 2.02 -1.68 0.44 112.91 113.12 1nbl h THR 25 Ca 0.03 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 1nbl h THR 25 Cb 0.56 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1nbl h THR 25 CO -0.18 0.10 -0.19 0.00 0.37 0.00 0.00 175.52 175.62 1nbl h GLY 27 N -0.90 0.00 0.00 0.00 0.00 -0.40 -0.36 103.07 101.41 1nbl h GLY 27 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1nbl h GLY 27 CO 0.09 0.00 -0.24 -2.22 0.00 0.00 0.00 176.54 174.17 1nbl h ILE 28 N 0.00 0.00 -0.55 2.60 2.04 0.00 0.26 117.51 121.86 1nbl h ILE 28 Ca 0.00 -0.74 -0.05 0.00 1.00 0.00 0.00 64.86 65.07 1nbl h ILE 28 Cb 0.28 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 1nbl h ILE 28 CO -0.00 0.00 0.13 -0.07 0.00 0.00 0.00 178.15 178.21 1nbl h LEU 29 N -0.74 0.84 -0.03 1.44 3.38 -0.64 -0.56 115.31 119.00 1nbl h LEU 29 Ca 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1nbl h LEU 29 Cb 0.24 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1nbl h LEU 29 CO 0.00 0.86 -0.11 0.00 0.09 0.00 0.00 178.44 179.28 1nbl n ASP 31 N -1.40 -2.36 -4.99 0.00 9.92 -0.22 -4.68 116.55 112.83 1nbl n ASP 31 Ca 0.09 -0.69 -0.19 0.00 -0.53 0.00 0.00 54.79 53.47 1nbl n ASP 31 Cb 0.32 -4.69 -0.00 0.00 -0.64 0.00 0.00 41.12 36.10 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 -1.72 0.00 -3.76 0.00 -5.35 -0.32 -4.37 119.36 103.84 1nbl n ILE 33 Ca 0.01 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 62.24 1nbl n ILE 33 Cb 0.58 0.00 -0.17 0.00 -1.74 0.00 0.00 39.64 38.31 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 -0.94 0.82 0.05 4.28 5.65 -1.26 -3.50 115.29 120.38 1nbl s HIS 34 Ca 0.00 -0.47 -0.06 0.00 0.25 0.00 0.00 55.06 54.79 1nbl s HIS 34 Cb 0.00 -0.90 -0.05 0.00 -1.18 0.00 0.00 32.58 30.45 1nbl s HIS 34 CO 0.00 -0.45 0.29 0.14 -0.65 0.00 0.00 174.74 174.07 1nbl s VAL 35 N 1.92 5.27 -0.58 0.89 -7.23 0.23 -4.94 120.40 115.97 1nbl s VAL 35 Ca 0.03 0.10 0.02 0.00 -1.81 0.00 0.00 61.98 60.31 1nbl s VAL 35 Cb -0.14 -3.59 0.40 0.00 0.56 0.00 0.00 36.38 33.61 1nbl s VAL 35 CO -0.07 0.27 1.51 0.35 -0.31 0.00 0.00 175.10 176.85 1nbl n THR 36 N 0.80 2.91 -1.98 5.32 -2.24 -1.26 -3.63 114.28 114.20 1nbl n THR 36 Ca -0.08 -4.45 -0.29 0.00 -2.27 0.00 0.00 64.05 56.95 1nbl n THR 36 Cb 0.52 -1.23 0.12 0.00 -2.10 0.00 0.00 70.33 67.64 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 2.04 0.12 4.28 2.01 -1.26 -5.01 115.64 112.61 1nbl s THR 37 Ca 0.51 -0.06 -0.17 0.00 0.31 0.00 0.00 61.69 62.29 1nbl s THR 37 Cb 0.42 -2.98 -0.03 0.00 0.01 0.00 0.00 72.50 69.92 1nbl s THR 37 CO -0.22 0.00 1.62 0.74 -0.69 0.00 0.00 174.62 176.07 1nbl h THR 38 N -1.15 1.22 -3.34 -0.82 2.02 -2.05 -3.48 112.91 105.31 1nbl h THR 38 Ca -0.45 -0.74 -0.07 0.00 0.77 0.00 0.00 66.41 65.93 1nbl h THR 38 Cb 1.30 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 68.71 1nbl h THR 38 CO 0.56 0.25 0.11 -0.89 0.37 0.00 0.00 175.52 175.92 1nbl s THR 39 N -5.32 0.00 -0.14 3.16 2.01 -1.26 -5.13 115.64 108.97 1nbl s THR 39 Ca -0.13 -1.19 -0.36 0.00 0.31 0.00 0.00 61.69 60.32 1nbl s THR 39 Cb 0.09 -2.59 -0.13 0.00 0.01 0.00 0.00 72.50 69.89 1nbl s THR 39 CO 0.75 0.00 1.86 0.00 -0.69 0.00 0.00 174.62 176.54 1nbl s PRO 41 N 4.00 -0.04 0.34 0.00 0.04 -1.09 -4.80 135.00 133.45 1nbl s PRO 41 Ca 0.94 0.04 0.04 0.00 0.04 0.00 0.00 61.00 62.06 1nbl s PRO 41 Cb -0.78 -1.72 0.65 0.00 0.04 0.00 0.00 34.50 32.69 1nbl s PRO 41 CO 0.55 -2.95 1.95 0.77 0.04 0.00 0.00 177.00 177.36 1nbl h SER 42 N -2.03 0.76 0.62 6.66 0.02 -1.97 -2.84 113.55 114.76 1nbl h SER 42 Ca -0.48 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.39 1nbl h SER 42 Cb 1.30 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 1nbl h SER 42 CO 0.45 0.49 -0.42 0.28 -1.14 0.00 0.00 176.83 176.50 1nbl h SER 43 N 0.86 0.00 -2.35 3.07 0.02 -1.99 -3.39 113.55 109.77 1nbl h SER 43 Ca 0.33 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.82 1nbl h SER 43 Cb 0.21 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 62.39 1nbl h SER 43 CO -0.11 0.42 -0.75 -1.00 -1.14 0.00 0.00 176.83 174.25 1nbl s HIS 44 N -3.81 0.12 0.19 3.45 3.76 -1.08 -4.71 115.29 113.21 1nbl s HIS 44 Ca -0.01 -0.98 0.03 0.00 -0.15 0.00 0.00 55.06 53.95 1nbl s HIS 44 Cb 0.13 -0.68 0.10 0.00 1.11 0.00 0.00 32.58 33.24 1nbl s HIS 44 CO 0.71 -0.89 1.46 -1.00 -0.85 0.00 0.00 174.74 174.17 1nbl h PRO 45 N 7.52 0.23 -0.01 8.40 0.13 -1.36 -2.89 132.00 144.02 1nbl h PRO 45 Ca -0.03 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1nbl h PRO 45 Cb 1.02 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1nbl h PRO 45 CO 0.29 0.88 0.00 0.45 -0.23 0.00 0.00 178.00 179.39