#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 0.58 -0.00 3.14 0.01 -1.26 -1.65 113.70 114.51 1nbl s SER 2 Ca 0.00 0.31 0.07 0.00 1.31 0.00 0.00 55.95 57.64 1nbl s SER 2 Cb 0.00 0.75 -0.03 0.00 0.21 0.00 0.00 66.02 66.95 1nbl s SER 2 CO 0.00 -0.28 -0.21 0.00 0.41 0.00 0.00 173.24 173.16 1nbl h ARG 5 N 2.85 0.00 -1.63 0.00 9.65 -1.79 0.24 114.38 123.70 1nbl h ARG 5 Ca -0.47 0.00 0.28 0.00 -1.10 0.00 0.00 59.98 58.69 1nbl h ARG 5 Cb 1.18 0.00 -0.12 0.00 -1.39 0.00 0.00 29.97 29.64 1nbl h ARG 5 CO 0.64 0.00 0.76 0.54 2.80 0.00 0.00 179.97 184.71 1nbl s ASN 6 N -5.50 -0.10 0.53 -3.80 6.03 -1.26 -4.37 114.94 106.47 1nbl s ASN 6 Ca -0.05 -0.16 0.24 0.00 -1.03 0.00 0.00 52.86 51.87 1nbl s ASN 6 Cb 0.14 0.22 1.48 0.00 -3.03 0.00 0.00 41.25 40.06 1nbl s ASN 6 CO 0.46 -0.40 2.14 0.74 -2.03 0.00 0.00 177.10 178.00 1nbl h THR 7 N 2.00 0.71 -0.25 0.54 2.02 -1.95 0.23 112.91 116.22 1nbl h THR 7 Ca -0.26 -0.29 0.06 0.00 0.77 0.00 0.00 66.41 66.68 1nbl h THR 7 Cb 1.20 1.17 -0.06 0.00 -1.74 0.00 0.00 68.15 68.73 1nbl h THR 7 CO 0.27 0.07 -0.13 0.25 0.37 0.00 0.00 175.52 176.36 1nbl h LEU 8 N 0.00 -0.42 -0.35 2.58 6.46 -1.98 0.59 115.31 122.19 1nbl h LEU 8 Ca -0.00 0.10 -0.19 0.00 -0.12 0.00 0.00 57.88 57.67 1nbl h LEU 8 Cb 0.17 0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.33 1nbl h LEU 8 CO 0.01 -0.16 -0.67 0.00 -0.62 0.00 0.00 178.44 177.00 1nbl h ALA 9 N 1.10 0.52 -0.92 1.25 0.00 -1.01 -0.14 119.26 120.05 1nbl h ALA 9 Ca 0.13 -0.56 0.09 0.00 0.00 0.00 0.00 54.91 54.57 1nbl h ALA 9 Cb 0.30 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 1nbl h ALA 9 CO -0.31 0.71 0.57 -0.09 0.00 0.00 0.00 179.25 180.12 1nbl h ARG 10 N 0.46 0.92 0.10 0.00 9.65 -0.77 0.36 114.38 125.09 1nbl h ARG 10 Ca -0.02 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.80 1nbl h ARG 10 Cb 1.25 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.63 1nbl h ARG 10 CO 0.13 0.61 -0.05 -0.91 2.80 0.00 0.00 179.97 182.55 1nbl h ASN 11 N 0.95 -0.11 -0.88 -3.80 2.35 -0.31 0.32 115.58 114.11 1nbl h ASN 11 Ca 0.44 -0.36 0.23 0.00 -0.55 0.00 0.00 56.30 56.05 1nbl h ASN 11 Cb 0.35 0.03 -0.13 0.00 0.05 0.00 0.00 38.32 38.62 1nbl h ASN 11 CO -0.23 0.32 0.30 0.00 -1.65 0.00 0.00 177.43 176.17 1nbl h TYR 13 N 0.28 0.21 -0.06 0.00 5.03 -0.11 0.48 116.97 122.80 1nbl h TYR 13 Ca 0.55 -0.07 -0.04 0.00 2.58 0.00 0.00 58.73 61.75 1nbl h TYR 13 Cb 1.08 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 39.32 1nbl h TYR 13 CO -0.21 0.67 -0.14 -0.91 -1.32 0.00 0.00 178.16 176.25 1nbl h ASN 14 N -0.30 0.08 -0.01 -2.11 2.35 -0.75 -0.47 115.58 114.36 1nbl h ASN 14 Ca 0.01 -0.01 -0.21 0.00 -0.55 0.00 0.00 56.30 55.53 1nbl h ASN 14 Cb 0.65 -0.02 0.02 0.00 0.05 0.00 0.00 38.32 39.01 1nbl h ASN 14 CO 0.02 0.24 -0.81 0.00 -1.65 0.00 0.00 177.43 175.23 1nbl h ALA 15 N 1.78 0.11 -0.45 -0.83 0.00 -0.65 -1.61 119.26 117.61 1nbl h ALA 15 Ca 0.02 -0.63 -0.04 0.00 0.00 0.00 0.00 54.91 54.26 1nbl h ALA 15 Cb 0.31 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1nbl h ALA 15 CO 0.02 0.51 0.09 0.00 0.00 0.00 0.00 179.25 179.88 1nbl h ARG 17 N 0.66 0.65 0.47 0.00 9.65 -1.08 -1.96 114.38 122.77 1nbl h ARG 17 Ca 0.15 -0.16 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 1nbl h ARG 17 Cb 0.27 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.78 1nbl h ARG 17 CO -0.00 0.68 -0.23 0.35 2.80 0.00 0.00 179.97 183.57 1nbl h PHE 18 N 0.61 -0.59 0.00 2.20 3.04 -0.69 -3.32 116.94 118.19 1nbl h PHE 18 Ca 0.12 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.06 1nbl h PHE 18 Cb 0.41 0.19 0.00 0.00 2.56 0.00 0.00 35.95 39.11 1nbl h PHE 18 CO 0.02 -0.34 0.00 0.25 -2.02 0.00 0.00 178.31 176.22 1nbl n THR 19 N -5.34 0.00 0.00 4.41 -2.24 0.21 -4.80 114.28 106.53 1nbl n THR 19 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1nbl n THR 19 Cb 0.28 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 1nbl n THR 19 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nbl n GLY 20 N -0.53 2.76 3.48 3.38 0.00 -1.16 -4.97 105.19 108.15 1nbl n GLY 20 Ca 0.04 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.52 1nbl n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nbl n GLY 21 N -1.96 0.51 3.55 -0.02 0.00 -0.86 -4.91 105.19 101.49 1nbl n GLY 21 Ca 0.00 0.96 -0.29 0.00 0.00 0.00 0.00 46.02 46.68 1nbl n GLY 21 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nbl n SER 22 N 8.53 -0.89 -0.29 1.61 7.64 -1.26 -3.60 113.62 125.36 1nbl n SER 22 Ca 0.40 0.07 0.01 0.00 1.01 0.00 0.00 58.87 60.36 1nbl n SER 22 Cb 0.17 -1.35 0.14 0.00 -1.01 0.00 0.00 64.21 62.16 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 -2.38 0.85 0.61 1.43 4.20 -1.94 0.66 115.11 118.55 1nbl h GLN 23 Ca -0.54 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.09 1nbl h GLN 23 Cb 1.31 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.90 1nbl h GLN 23 CO 0.46 0.56 -0.30 -1.35 -0.67 0.00 0.00 178.83 177.53 1nbl h PRO 24 N 0.88 -0.80 -0.93 1.46 0.11 -1.97 -1.94 132.00 128.81 1nbl h PRO 24 Ca 0.36 0.05 0.21 0.00 0.11 0.00 0.00 66.00 66.74 1nbl h PRO 24 Cb 0.21 0.18 -0.07 0.00 0.11 0.00 0.00 31.00 31.43 1nbl h PRO 24 CO -0.19 -0.53 0.61 1.15 -0.21 0.00 0.00 178.00 178.83 1nbl h THR 25 N -0.83 0.67 0.47 -1.15 2.02 -1.67 0.46 112.91 112.87 1nbl h THR 25 Ca -0.08 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 1nbl h THR 25 Cb 0.64 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1nbl h THR 25 CO 0.13 0.08 -0.23 0.00 0.37 0.00 0.00 175.52 175.87 1nbl n GLY 27 N -0.13 -0.81 0.06 0.00 0.00 -0.65 -1.11 105.19 102.55 1nbl n GLY 27 Ca -0.09 0.18 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 1nbl n GLY 27 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nbl n ILE 28 N -2.18 1.15 -0.17 -0.61 5.41 0.15 -0.24 119.36 122.87 1nbl n ILE 28 Ca -0.01 0.27 -0.09 0.00 1.00 0.00 0.00 62.75 63.91 1nbl n ILE 28 Cb 0.07 -2.21 0.01 0.00 -0.71 0.00 0.00 39.64 36.79 1nbl n ILE 28 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1nbl h LEU 29 N -0.80 0.72 -0.09 1.39 3.38 -0.65 -0.53 115.31 118.73 1nbl h LEU 29 Ca 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1nbl h LEU 29 Cb 0.47 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1nbl h LEU 29 CO 0.00 0.75 -0.07 0.00 0.09 0.00 0.00 178.44 179.21 1nbl n ASP 31 N -1.18 -5.76 -4.83 0.00 2.03 -0.21 -4.49 116.55 102.10 1nbl n ASP 31 Ca 0.13 -0.26 -0.37 0.00 0.52 0.00 0.00 54.79 54.82 1nbl n ASP 31 Cb 0.27 -4.59 -0.06 0.00 -0.72 0.00 0.00 41.12 36.02 1nbl n ASP 31 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nbl n ILE 33 N 1.27 0.00 -3.65 0.00 -5.35 -0.37 -4.27 119.36 106.99 1nbl n ILE 33 Ca -0.09 0.00 -0.19 0.00 -0.27 0.00 0.00 62.75 62.20 1nbl n ILE 33 Cb 0.52 -0.24 -0.17 0.00 -1.74 0.00 0.00 39.64 38.01 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 1.36 -0.04 0.06 4.28 5.65 -1.26 -3.65 115.29 121.68 1nbl s HIS 34 Ca 0.00 0.32 0.02 0.00 0.25 0.00 0.00 55.06 55.64 1nbl s HIS 34 Cb 0.00 -0.41 -0.04 0.00 -1.18 0.00 0.00 32.58 30.95 1nbl s HIS 34 CO 0.00 -0.29 0.12 0.14 -0.65 0.00 0.00 174.74 174.05 1nbl s VAL 35 N 2.23 4.82 -0.57 0.89 -7.23 -0.66 -4.96 120.40 114.92 1nbl s VAL 35 Ca 0.04 -0.61 0.03 0.00 -1.81 0.00 0.00 61.98 59.63 1nbl s VAL 35 Cb -0.13 -3.32 0.40 0.00 0.56 0.00 0.00 36.38 33.90 1nbl s VAL 35 CO -0.06 0.16 1.45 0.35 -0.31 0.00 0.00 175.10 176.69 1nbl n THR 36 N 0.50 2.83 -1.88 5.32 -2.24 -1.26 -3.97 114.28 113.58 1nbl n THR 36 Ca -0.08 -4.59 -0.29 0.00 -2.27 0.00 0.00 64.05 56.82 1nbl n THR 36 Cb 0.52 -1.24 0.14 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 -5.28 1.99 0.12 4.28 2.01 -1.26 -5.01 115.64 112.48 1nbl s THR 37 Ca 0.50 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 62.35 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 -0.24 0.00 1.57 0.74 -0.69 0.00 0.00 174.62 176.00 1nbl h THR 38 N -1.39 1.25 -3.34 -0.82 2.02 -2.06 -3.48 112.91 105.10 1nbl h THR 38 Ca -0.45 -0.96 -0.05 0.00 0.77 0.00 0.00 66.41 65.72 1nbl h THR 38 Cb 1.28 1.14 -0.05 0.00 -1.74 0.00 0.00 68.15 68.79 1nbl h THR 38 CO 0.52 0.32 0.09 -0.89 0.37 0.00 0.00 175.52 175.93 1nbl s THR 39 N -5.04 0.00 -0.05 3.16 2.01 -1.26 -5.14 115.64 109.32 1nbl s THR 39 Ca -0.13 -1.20 -0.30 0.00 0.31 0.00 0.00 61.69 60.38 1nbl s THR 39 Cb 0.10 -2.43 -0.05 0.00 0.01 0.00 0.00 72.50 70.12 1nbl s THR 39 CO 0.78 0.00 1.59 0.00 -0.69 0.00 0.00 174.62 176.30 1nbl s PRO 41 N 3.68 -2.28 0.21 0.00 0.04 -0.89 -4.57 135.00 131.19 1nbl s PRO 41 Ca 0.71 0.44 -0.09 0.00 0.04 0.00 0.00 61.00 62.09 1nbl s PRO 41 Cb -0.32 -1.43 0.29 0.00 0.04 0.00 0.00 34.50 33.08 1nbl s PRO 41 CO 0.28 -4.52 1.74 0.77 0.04 0.00 0.00 177.00 175.31 1nbl h SER 42 N -3.18 0.23 -0.06 6.66 0.02 -1.96 -2.19 113.55 113.07 1nbl h SER 42 Ca -0.52 0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 60.45 1nbl h SER 42 Cb 1.34 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.93 1nbl h SER 42 CO 0.38 0.13 -0.12 0.28 -1.14 0.00 0.00 176.83 176.36 1nbl h SER 43 N 0.41 0.35 -2.26 3.07 0.02 -1.98 -3.38 113.55 109.79 1nbl h SER 43 Ca 0.31 -0.08 -0.53 0.00 -0.84 0.00 0.00 61.79 60.66 1nbl h SER 43 Cb 0.39 -0.09 -0.36 0.00 0.14 0.00 0.00 62.40 62.48 1nbl h SER 43 CO -0.31 0.50 -0.88 -1.00 -1.14 0.00 0.00 176.83 174.00 1nbl s HIS 44 N -4.75 0.62 0.30 3.45 3.76 -1.15 -4.67 115.29 112.84 1nbl s HIS 44 Ca -0.06 -1.85 0.05 0.00 -0.15 0.00 0.00 55.06 53.05 1nbl s HIS 44 Cb 0.15 -0.75 0.46 0.00 1.11 0.00 0.00 32.58 33.55 1nbl s HIS 44 CO 0.75 -0.88 1.72 -1.00 -0.85 0.00 0.00 174.74 174.48 1nbl h PRO 45 N 6.07 0.31 -0.02 8.40 0.13 -0.84 -2.36 132.00 143.69 1nbl h PRO 45 Ca 0.18 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1nbl h PRO 45 Cb 0.96 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1nbl h PRO 45 CO 0.30 0.63 0.00 0.45 -0.23 0.00 0.00 178.00 179.14