#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 -0.20 0.07 3.14 0.01 -1.26 -1.14 113.70 114.31 1nbl s SER 2 Ca 0.00 0.81 0.04 0.00 1.31 0.00 0.00 55.95 58.11 1nbl s SER 2 Cb 0.00 0.91 -0.03 0.00 0.21 0.00 0.00 66.02 67.11 1nbl s SER 2 CO 0.00 -0.21 -0.12 0.00 0.41 0.00 0.00 173.24 173.32 1nbl h ARG 5 N 3.12 0.01 -2.91 0.00 2.47 -1.82 0.73 114.38 115.97 1nbl h ARG 5 Ca -0.47 -0.00 0.08 0.00 -1.26 0.00 0.00 59.98 58.33 1nbl h ARG 5 Cb 1.20 -0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.46 1nbl h ARG 5 CO 0.51 0.00 0.26 -0.80 0.56 0.00 0.00 179.97 180.51 1nbl s ASN 6 N -6.24 -0.26 0.27 7.04 0.01 -1.26 -4.10 114.94 110.40 1nbl s ASN 6 Ca -0.05 -0.56 0.12 0.00 -0.71 0.00 0.00 52.86 51.66 1nbl s ASN 6 Cb 0.20 0.69 0.33 0.00 0.41 0.00 0.00 41.25 42.88 1nbl s ASN 6 CO 0.73 -1.28 1.58 0.74 -1.51 0.00 0.00 177.10 177.37 1nbl h THR 7 N 2.00 1.34 -0.27 1.60 2.02 -1.91 0.20 112.91 117.89 1nbl h THR 7 Ca -0.20 -2.18 0.06 0.00 0.77 0.00 0.00 66.41 64.86 1nbl h THR 7 Cb 1.25 2.21 -0.06 0.00 -1.74 0.00 0.00 68.15 69.80 1nbl h THR 7 CO 0.24 0.60 -0.15 0.25 0.37 0.00 0.00 175.52 176.83 1nbl h LEU 8 N 0.00 -0.49 -0.25 2.58 6.46 -1.98 0.12 115.31 121.75 1nbl h LEU 8 Ca -0.01 0.11 -0.21 0.00 -0.12 0.00 0.00 57.88 57.65 1nbl h LEU 8 Cb 1.16 0.26 0.00 0.00 -0.73 0.00 0.00 40.66 41.36 1nbl h LEU 8 CO 0.08 -0.18 -0.86 0.00 -0.62 0.00 0.00 178.44 176.85 1nbl h ALA 9 N 1.08 0.44 -0.77 1.25 0.00 -1.68 0.17 119.26 119.75 1nbl h ALA 9 Ca 0.14 -0.67 0.07 0.00 0.00 0.00 0.00 54.91 54.46 1nbl h ALA 9 Cb 0.34 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1nbl h ALA 9 CO -0.35 0.79 0.44 -0.09 0.00 0.00 0.00 179.25 180.05 1nbl h ARG 10 N 0.27 0.76 -0.09 0.00 9.65 -0.68 0.30 114.38 124.59 1nbl h ARG 10 Ca -0.06 -0.05 -0.15 0.00 -1.10 0.00 0.00 59.98 58.63 1nbl h ARG 10 Cb 1.48 -0.17 0.01 0.00 -1.39 0.00 0.00 29.97 29.89 1nbl h ARG 10 CO 0.15 0.51 -0.51 -2.95 2.80 0.00 0.00 179.97 179.96 1nbl h ASN 11 N 0.79 0.61 -0.72 -3.80 7.08 -0.23 0.10 115.58 119.41 1nbl h ASN 11 Ca 0.35 -0.65 0.16 0.00 -3.08 0.00 0.00 56.30 53.08 1nbl h ASN 11 Cb 0.25 -0.18 -0.11 0.00 -2.08 0.00 0.00 38.32 36.20 1nbl h ASN 11 CO -0.21 1.17 0.13 0.00 -2.08 0.00 0.00 177.43 176.43 1nbl h TYR 13 N 0.22 0.37 -0.05 0.00 5.03 -0.16 0.47 116.97 122.84 1nbl h TYR 13 Ca 0.40 -0.09 -0.05 0.00 2.58 0.00 0.00 58.73 61.56 1nbl h TYR 13 Cb 0.68 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.87 1nbl h TYR 13 CO -0.30 0.65 -0.21 -0.91 -1.32 0.00 0.00 178.16 176.07 1nbl h ASN 14 N -0.02 0.08 0.08 -2.11 2.35 -0.71 -0.40 115.58 114.85 1nbl h ASN 14 Ca 0.03 -0.02 -0.29 0.00 -0.55 0.00 0.00 56.30 55.48 1nbl h ASN 14 Cb 0.56 -0.02 0.03 0.00 0.05 0.00 0.00 38.32 38.93 1nbl h ASN 14 CO 0.02 0.30 -1.17 0.00 -1.65 0.00 0.00 177.43 174.94 1nbl h ALA 15 N 1.71 0.03 -0.24 -0.83 0.00 -0.64 -0.48 119.26 118.81 1nbl h ALA 15 Ca 0.01 -0.74 -0.06 0.00 0.00 0.00 0.00 54.91 54.12 1nbl h ALA 15 Cb 0.43 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1nbl h ALA 15 CO 0.03 0.67 -0.11 0.00 0.00 0.00 0.00 179.25 179.84 1nbl h ARG 17 N 0.37 0.09 0.58 0.00 9.65 -1.02 -1.72 114.38 122.34 1nbl h ARG 17 Ca 0.07 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.89 1nbl h ARG 17 Cb 0.43 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.01 1nbl h ARG 17 CO 0.02 0.48 -0.28 0.35 2.80 0.00 0.00 179.97 183.34 1nbl h PHE 18 N 0.08 -0.74 -3.22 2.20 3.04 -0.49 -3.46 116.94 114.34 1nbl h PHE 18 Ca 0.01 -0.02 -0.40 0.00 3.98 0.00 0.00 57.97 61.54 1nbl h PHE 18 Cb 0.74 0.25 0.21 0.00 2.56 0.00 0.00 35.95 39.70 1nbl h PHE 18 CO 0.00 -0.45 -0.02 0.95 -2.02 0.00 0.00 178.31 176.77 1nbl s THR 19 N -6.07 1.38 -0.17 4.41 -4.23 0.18 -4.91 115.64 106.23 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 0.15 0.00 1.34 0.00 0.00 72.50 71.79 1nbl s THR 19 CO 0.63 0.00 1.16 0.61 -0.54 0.00 0.00 174.62 176.48 1nbl n GLY 20 N 0.45 2.47 3.55 3.99 0.00 -1.26 -4.73 105.19 109.66 1nbl n GLY 20 Ca 0.13 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 0.44 1.93 1.20 -0.02 0.00 -1.22 -5.09 107.32 104.56 1nbl s GLY 21 Ca 0.12 -1.24 -0.13 0.00 0.00 0.00 0.00 44.72 43.47 1nbl s GLY 21 CO 0.02 0.89 1.01 -0.56 0.00 0.00 0.00 173.10 174.47 1nbl s SER 22 N 1.73 0.67 0.16 1.64 0.01 -1.26 -4.05 113.70 112.60 1nbl s SER 22 Ca 0.10 1.47 -0.15 0.00 1.31 0.00 0.00 55.95 58.68 1nbl s SER 22 Cb -0.17 -2.28 0.04 0.00 0.21 0.00 0.00 66.02 63.82 1nbl s SER 22 CO 0.11 -4.39 1.78 1.56 0.41 0.00 0.00 173.24 172.72 1nbl h GLN 23 N -2.75 0.65 0.10 12.44 7.50 -1.98 0.86 115.11 131.94 1nbl h GLN 23 Ca -0.63 -0.06 0.02 0.00 0.50 0.00 0.00 58.65 58.48 1nbl h GLN 23 Cb 1.34 -0.13 -0.03 0.00 0.05 0.00 0.00 27.48 28.70 1nbl h GLN 23 CO 0.50 0.49 -0.25 -1.35 -1.50 0.00 0.00 178.83 176.72 1nbl h PRO 24 N 0.63 -0.43 -0.98 1.46 0.11 -1.98 -1.73 132.00 129.08 1nbl h PRO 24 Ca 0.17 0.03 0.18 0.00 0.11 0.00 0.00 66.00 66.49 1nbl h PRO 24 Cb 0.01 0.10 -0.10 0.00 0.11 0.00 0.00 31.00 31.12 1nbl h PRO 24 CO -0.03 -0.29 0.58 1.15 -0.21 0.00 0.00 178.00 179.20 1nbl h THR 25 N -0.45 0.72 0.32 -1.15 2.02 -1.74 0.28 112.91 112.91 1nbl h THR 25 Ca 0.03 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 1nbl h THR 25 Cb 0.48 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1nbl h THR 25 CO -0.15 0.14 -0.15 0.00 0.37 0.00 0.00 175.52 175.72 1nbl h GLY 27 N -0.66 0.00 0.00 0.00 0.00 -0.66 -0.66 103.07 101.10 1nbl h GLY 27 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1nbl h GLY 27 CO 0.07 0.00 -0.24 -2.22 0.00 0.00 0.00 176.54 174.15 1nbl h ILE 28 N 0.00 0.00 -0.83 2.60 2.04 -0.07 0.34 117.51 121.60 1nbl h ILE 28 Ca 0.00 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 1nbl h ILE 28 Cb 0.03 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.07 1nbl h ILE 28 CO 0.00 0.00 0.46 0.25 0.00 0.00 0.00 178.15 178.86 1nbl h LEU 29 N -0.84 1.03 -0.68 1.44 5.85 -0.41 -0.61 115.31 121.10 1nbl h LEU 29 Ca 0.00 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1nbl h LEU 29 Cb 0.24 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1nbl h LEU 29 CO 0.00 0.83 -0.26 0.00 -0.34 0.00 0.00 178.44 178.68 1nbl n ASP 31 N -0.38 -4.30 -4.98 0.00 8.00 -0.24 -4.64 116.55 110.02 1nbl n ASP 31 Ca 0.13 -0.55 -0.20 0.00 0.71 0.00 0.00 54.79 54.87 1nbl n ASP 31 Cb 0.38 -4.90 0.01 0.00 -0.02 0.00 0.00 41.12 36.58 1nbl n ASP 31 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nbl n ILE 33 N -1.87 0.00 -3.81 0.00 -5.35 -0.41 -4.40 119.36 103.51 1nbl n ILE 33 Ca 0.02 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 62.25 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 -1.14 1.05 0.11 4.28 5.65 -1.26 -3.41 115.29 120.58 1nbl s HIS 34 Ca 0.00 -0.52 0.02 0.00 0.25 0.00 0.00 55.06 54.81 1nbl s HIS 34 Cb 0.00 -1.01 -0.04 0.00 -1.18 0.00 0.00 32.58 30.36 1nbl s HIS 34 CO 0.00 -0.45 0.21 0.14 -0.65 0.00 0.00 174.74 173.99 1nbl s VAL 35 N 1.85 5.10 -0.56 0.89 -7.23 -0.29 -4.96 120.40 115.19 1nbl s VAL 35 Ca 0.04 -0.67 0.02 0.00 -1.81 0.00 0.00 61.98 59.56 1nbl s VAL 35 Cb -0.13 -3.56 0.42 0.00 0.56 0.00 0.00 36.38 33.66 1nbl s VAL 35 CO -0.07 0.01 1.57 0.35 -0.31 0.00 0.00 175.10 176.65 1nbl n THR 36 N -0.12 3.00 -2.95 5.32 -2.24 -1.26 -3.66 114.28 112.38 1nbl n THR 36 Ca -0.07 -4.17 -0.40 0.00 -2.27 0.00 0.00 64.05 57.14 1nbl n THR 36 Cb 0.53 -1.21 -0.05 0.00 -2.10 0.00 0.00 70.33 67.50 1nbl n THR 36 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1nbl s THR 37 N -5.05 4.56 0.26 4.28 -4.23 -1.26 -4.97 115.64 109.23 1nbl s THR 37 Ca 0.53 1.72 0.14 0.00 -1.18 0.00 0.00 61.69 62.91 1nbl s THR 37 Cb 0.44 -4.15 0.25 0.00 1.34 0.00 0.00 72.50 70.38 1nbl s THR 37 CO -0.16 0.42 1.13 0.35 -0.54 0.00 0.00 174.62 175.82 1nbl n THR 38 N 2.35 -0.30 -2.30 3.99 -2.24 -1.26 -4.77 114.28 109.75 1nbl n THR 38 Ca -0.03 1.46 0.00 0.00 -2.27 0.00 0.00 64.05 63.21 1nbl n THR 38 Cb 0.49 -2.36 0.00 0.00 -2.10 0.00 0.00 70.33 66.37 1nbl n THR 38 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1nbl n THR 39 N -4.64 0.00 -4.05 4.28 5.66 -1.26 -5.13 114.28 109.14 1nbl n THR 39 Ca 0.27 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.93 1nbl n THR 39 Cb 0.90 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.53 1nbl n THR 39 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nbl s PRO 41 N 1.26 -0.48 0.36 0.00 0.04 -1.05 -4.52 135.00 130.61 1nbl s PRO 41 Ca -0.00 0.16 0.11 0.00 0.04 0.00 0.00 61.00 61.31 1nbl s PRO 41 Cb -0.16 -1.66 0.88 0.00 0.04 0.00 0.00 34.50 33.60 1nbl s PRO 41 CO -0.08 -3.27 1.82 0.77 0.04 0.00 0.00 177.00 176.29 1nbl h SER 42 N -2.27 0.62 0.47 6.66 0.02 -2.00 -1.59 113.55 115.46 1nbl h SER 42 Ca -0.49 0.07 -0.11 0.00 -0.84 0.00 0.00 61.79 60.41 1nbl h SER 42 Cb 1.31 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 1nbl h SER 42 CO 0.45 0.24 -0.52 0.28 -1.14 0.00 0.00 176.83 176.14 1nbl h SER 43 N 0.62 0.07 -1.95 3.07 0.02 -1.97 -3.39 113.55 110.00 1nbl h SER 43 Ca 0.52 -0.03 -0.44 0.00 -0.84 0.00 0.00 61.79 61.00 1nbl h SER 43 Cb 0.99 -0.02 -0.31 0.00 0.14 0.00 0.00 62.40 63.20 1nbl h SER 43 CO -0.28 0.58 -0.80 -1.00 -1.14 0.00 0.00 176.83 174.19 1nbl s HIS 44 N -3.86 0.14 0.30 3.45 3.76 -0.74 -4.64 115.29 113.70 1nbl s HIS 44 Ca -0.02 -1.58 0.03 0.00 -0.15 0.00 0.00 55.06 53.34 1nbl s HIS 44 Cb 0.13 -0.51 0.49 0.00 1.11 0.00 0.00 32.58 33.80 1nbl s HIS 44 CO 0.76 -0.97 1.77 -1.00 -0.85 0.00 0.00 174.74 174.45 1nbl h PRO 45 N 5.80 0.47 -0.00 8.40 0.13 -0.72 -2.77 132.00 143.31 1nbl h PRO 45 Ca 0.17 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1nbl h PRO 45 Cb 0.99 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1nbl h PRO 45 CO 0.24 0.64 0.00 0.45 -0.23 0.00 0.00 178.00 179.10