#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 0.71 -0.00 3.14 0.01 -1.26 -1.13 113.70 115.16 1nbl s SER 2 Ca 0.00 0.28 0.07 0.00 1.31 0.00 0.00 55.95 57.62 1nbl s SER 2 Cb 0.00 0.19 -0.02 0.00 0.21 0.00 0.00 66.02 66.40 1nbl s SER 2 CO 0.00 -0.23 -0.23 0.00 0.41 0.00 0.00 173.24 173.18 1nbl n ARG 5 N 0.89 0.49 -3.76 0.00 1.85 -1.26 -0.35 116.66 114.52 1nbl n ARG 5 Ca -0.13 0.04 -0.02 0.00 -1.00 0.00 0.00 57.85 56.74 1nbl n ARG 5 Cb 0.52 -1.50 -0.01 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 -2.22 -0.12 0.45 2.89 2.20 -1.26 -4.47 114.94 112.40 1nbl s ASN 6 Ca 0.25 -0.41 0.19 0.00 -0.94 0.00 0.00 52.86 51.96 1nbl s ASN 6 Cb 0.13 0.44 1.06 0.00 -2.00 0.00 0.00 41.25 40.88 1nbl s ASN 6 CO 0.25 -0.82 1.95 0.74 -2.94 0.00 0.00 177.10 176.28 1nbl h THR 7 N 2.00 0.92 -0.34 0.54 2.02 -1.96 0.18 112.91 116.26 1nbl h THR 7 Ca -0.26 -0.88 0.06 0.00 0.77 0.00 0.00 66.41 66.11 1nbl h THR 7 Cb 1.22 1.51 -0.06 0.00 -1.74 0.00 0.00 68.15 69.09 1nbl h THR 7 CO 0.28 0.23 -0.01 0.25 0.37 0.00 0.00 175.52 176.64 1nbl h LEU 8 N 0.00 -0.16 -0.08 2.58 6.46 -1.98 0.51 115.31 122.64 1nbl h LEU 8 Ca -0.00 0.08 -0.25 0.00 -0.12 0.00 0.00 57.88 57.59 1nbl h LEU 8 Cb 0.49 0.15 0.01 0.00 -0.73 0.00 0.00 40.66 40.58 1nbl h LEU 8 CO 0.03 -0.04 -0.99 0.00 -0.62 0.00 0.00 178.44 176.81 1nbl h ALA 9 N 1.30 0.24 -0.82 1.25 0.00 -1.40 -0.04 119.26 119.80 1nbl h ALA 9 Ca 0.17 -0.70 0.17 0.00 0.00 0.00 0.00 54.91 54.54 1nbl h ALA 9 Cb 0.23 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.94 1nbl h ALA 9 CO -0.29 0.75 0.35 -0.09 0.00 0.00 0.00 179.25 179.97 1nbl h ARG 10 N 0.32 0.44 0.02 0.00 9.65 -0.80 0.40 114.38 124.40 1nbl h ARG 10 Ca -0.11 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.75 1nbl h ARG 10 Cb 1.64 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 30.12 1nbl h ARG 10 CO 0.19 0.29 -0.01 -0.91 2.80 0.00 0.00 179.97 182.33 1nbl h ASN 11 N 0.45 -0.02 -0.88 -3.80 2.35 -0.32 0.87 115.58 114.23 1nbl h ASN 11 Ca 0.47 -0.43 0.22 0.00 -0.55 0.00 0.00 56.30 56.01 1nbl h ASN 11 Cb 0.78 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.03 1nbl h ASN 11 CO -0.45 0.43 0.34 0.00 -1.65 0.00 0.00 177.43 176.10 1nbl h TYR 13 N 0.33 0.60 -0.16 0.00 5.03 0.03 0.47 116.97 123.27 1nbl h TYR 13 Ca 0.55 -0.26 -0.04 0.00 2.58 0.00 0.00 58.73 61.56 1nbl h TYR 13 Cb 1.08 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 39.25 1nbl h TYR 13 CO -0.18 1.02 -0.10 -0.91 -1.32 0.00 0.00 178.16 176.67 1nbl h ASN 14 N 0.02 0.23 -0.00 -2.11 2.35 -0.66 -1.66 115.58 113.76 1nbl h ASN 14 Ca -0.02 -0.04 -0.23 0.00 -0.55 0.00 0.00 56.30 55.45 1nbl h ASN 14 Cb 1.06 -0.06 0.02 0.00 0.05 0.00 0.00 38.32 39.38 1nbl h ASN 14 CO 0.09 0.37 -0.89 0.00 -1.65 0.00 0.00 177.43 175.35 1nbl h ALA 15 N 1.66 0.11 0.00 -0.83 0.00 -0.66 0.44 119.26 119.98 1nbl h ALA 15 Ca 0.05 -0.65 -0.06 0.00 0.00 0.00 0.00 54.91 54.25 1nbl h ALA 15 Cb 0.33 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1nbl h ALA 15 CO 0.02 0.57 -0.27 0.00 0.00 0.00 0.00 179.25 179.57 1nbl h ARG 17 N 0.00 0.00 0.44 0.00 9.65 -1.29 -1.98 114.38 121.21 1nbl h ARG 17 Ca -0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 1nbl h ARG 17 Cb 0.61 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 1nbl h ARG 17 CO 0.03 0.14 -0.21 0.35 2.80 0.00 0.00 179.97 183.09 1nbl h PHE 18 N 0.00 -0.55 -0.11 2.20 3.04 -0.28 -3.12 116.94 118.12 1nbl h PHE 18 Ca -0.02 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.95 1nbl h PHE 18 Cb 1.15 0.18 -0.00 0.00 2.56 0.00 0.00 35.95 39.84 1nbl h PHE 18 CO 0.00 -0.26 0.20 1.79 -2.02 0.00 0.00 178.31 178.02 1nbl h THR 19 N -0.78 0.26 -1.22 4.41 1.35 -0.88 -3.46 112.91 112.59 1nbl h THR 19 Ca -0.06 0.00 -0.35 0.00 -0.55 0.00 0.00 66.41 65.45 1nbl h THR 19 Cb 0.54 0.83 -0.11 0.00 -1.73 0.00 0.00 68.15 67.68 1nbl h THR 19 CO 0.10 0.00 -0.35 0.61 -0.25 0.00 0.00 175.52 175.63 1nbl n GLY 20 N -1.30 1.21 0.00 5.82 0.00 -0.77 -4.97 105.19 105.18 1nbl n GLY 20 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.89 -0.34 3.40 -0.02 0.00 -1.05 -4.99 105.19 101.29 1nbl n GLY 21 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 1nbl n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nbl s SER 22 N -2.85 -0.48 0.15 1.61 0.01 -1.26 -5.02 113.70 105.86 1nbl s SER 22 Ca 0.00 -0.01 -0.11 0.00 1.31 0.00 0.00 55.95 57.14 1nbl s SER 22 Cb 0.00 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.79 1nbl s SER 22 CO 0.00 -0.90 1.55 -0.61 0.41 0.00 0.00 173.24 173.70 1nbl h GLN 23 N 2.23 0.95 -0.02 12.44 4.15 -1.94 -1.40 115.11 131.53 1nbl h GLN 23 Ca -0.33 -0.38 0.03 0.00 0.77 0.00 0.00 58.65 58.74 1nbl h GLN 23 Cb 1.28 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.88 1nbl h GLN 23 CO 0.40 1.05 -0.25 -1.35 -1.93 0.00 0.00 178.83 176.75 1nbl h PRO 24 N 0.80 -0.37 -1.05 -2.39 0.11 -1.97 -1.19 132.00 125.94 1nbl h PRO 24 Ca 0.12 0.03 0.28 0.00 0.11 0.00 0.00 66.00 66.53 1nbl h PRO 24 Cb 0.72 0.08 -0.11 0.00 0.11 0.00 0.00 31.00 31.80 1nbl h PRO 24 CO 0.05 -0.25 0.65 1.15 -0.21 0.00 0.00 178.00 179.40 1nbl h THR 25 N -0.38 0.48 0.56 -1.15 2.02 -1.92 0.52 112.91 113.04 1nbl h THR 25 Ca 0.07 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 1nbl h THR 25 Cb 0.48 0.01 0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1nbl h THR 25 CO -0.24 0.08 -0.27 0.00 0.37 0.00 0.00 175.52 175.46 1nbl h GLY 27 N -1.12 0.00 0.00 0.00 0.00 -0.27 -0.30 103.07 101.37 1nbl h GLY 27 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1nbl h GLY 27 CO 0.13 0.00 -0.53 1.39 0.00 0.00 0.00 176.54 177.53 1nbl n ILE 28 N -2.39 1.29 -0.14 2.60 5.41 0.17 -0.17 119.36 126.12 1nbl n ILE 28 Ca -0.02 0.24 -0.09 0.00 1.00 0.00 0.00 62.75 63.88 1nbl n ILE 28 Cb 0.20 -2.30 -0.00 0.00 -0.71 0.00 0.00 39.64 36.83 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 -0.90 0.59 -0.02 1.39 3.38 -0.56 -0.51 115.31 118.68 1nbl h LEU 29 Ca 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1nbl h LEU 29 Cb 0.53 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1nbl h LEU 29 CO 0.00 0.60 -0.03 0.00 0.09 0.00 0.00 178.44 179.11 1nbl n ASP 31 N -1.33 -6.01 -4.86 0.00 2.03 -0.20 -4.55 116.55 101.63 1nbl n ASP 31 Ca 0.12 -0.22 -0.32 0.00 0.52 0.00 0.00 54.79 54.88 1nbl n ASP 31 Cb 0.28 -4.87 -0.06 0.00 -0.72 0.00 0.00 41.12 35.75 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 -0.17 0.00 -3.65 0.00 -5.35 -0.22 -4.32 119.36 105.65 1nbl n ILE 33 Ca 0.01 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.29 1nbl n ILE 33 Cb 0.53 -0.09 -0.17 0.00 -1.74 0.00 0.00 39.64 38.17 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 1.00 0.02 0.06 4.28 5.65 -1.26 -3.53 115.29 121.51 1nbl s HIS 34 Ca 0.00 0.24 0.02 0.00 0.25 0.00 0.00 55.06 55.57 1nbl s HIS 34 Cb 0.00 -0.46 -0.04 0.00 -1.18 0.00 0.00 32.58 30.90 1nbl s HIS 34 CO 0.00 -0.27 0.10 0.14 -0.65 0.00 0.00 174.74 174.07 1nbl s VAL 35 N 2.20 4.73 -0.57 0.89 -7.23 -0.29 -4.96 120.40 115.17 1nbl s VAL 35 Ca 0.04 -0.64 0.03 0.00 -1.81 0.00 0.00 61.98 59.60 1nbl s VAL 35 Cb -0.13 -3.27 0.40 0.00 0.56 0.00 0.00 36.38 33.95 1nbl s VAL 35 CO -0.05 0.16 1.47 0.35 -0.31 0.00 0.00 175.10 176.72 1nbl n THR 36 N 0.54 2.86 -1.91 5.32 -2.24 -1.26 -3.85 114.28 113.73 1nbl n THR 36 Ca -0.09 -4.56 -0.29 0.00 -2.27 0.00 0.00 64.05 56.84 1nbl n THR 36 Cb 0.52 -1.24 0.13 0.00 -2.10 0.00 0.00 70.33 67.63 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 -5.27 2.00 0.12 4.28 2.01 -1.26 -5.01 115.64 112.51 1nbl s THR 37 Ca 0.51 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 62.35 1nbl s THR 37 Cb 0.42 -3.00 -0.03 0.00 0.01 0.00 0.00 72.50 69.90 1nbl s THR 37 CO -0.23 0.00 1.57 0.74 -0.69 0.00 0.00 174.62 176.01 1nbl h THR 38 N -1.27 1.25 -3.34 -0.82 2.02 -2.05 -3.48 112.91 105.22 1nbl h THR 38 Ca -0.45 -0.96 -0.04 0.00 0.77 0.00 0.00 66.41 65.73 1nbl h THR 38 Cb 1.30 1.13 -0.05 0.00 -1.74 0.00 0.00 68.15 68.78 1nbl h THR 38 CO 0.56 0.32 0.09 -0.89 0.37 0.00 0.00 175.52 175.97 1nbl s THR 39 N -5.05 0.00 -0.10 3.16 2.01 -1.26 -5.13 115.64 109.27 1nbl s THR 39 Ca -0.13 -1.20 -0.29 0.00 0.31 0.00 0.00 61.69 60.38 1nbl s THR 39 Cb 0.10 -2.40 -0.05 0.00 0.01 0.00 0.00 72.50 70.15 1nbl s THR 39 CO 0.78 0.00 1.66 0.00 -0.69 0.00 0.00 174.62 176.37 1nbl s PRO 41 N 4.24 0.13 0.36 0.00 0.04 -1.10 -4.59 135.00 134.07 1nbl s PRO 41 Ca 0.73 0.13 0.10 0.00 0.04 0.00 0.00 61.00 62.01 1nbl s PRO 41 Cb -0.31 -1.74 0.84 0.00 0.04 0.00 0.00 34.50 33.34 1nbl s PRO 41 CO 0.29 -2.85 1.85 0.77 0.04 0.00 0.00 177.00 177.11 1nbl h SER 42 N -1.97 0.64 0.64 6.66 0.02 -1.95 -1.88 113.55 115.71 1nbl h SER 42 Ca -0.49 0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 60.40 1nbl h SER 42 Cb 1.31 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.76 1nbl h SER 42 CO 0.49 0.30 -0.52 -1.28 -1.14 0.00 0.00 176.83 174.68 1nbl h SER 43 N 0.66 0.00 -2.07 3.07 0.87 -1.99 -3.40 113.55 110.70 1nbl h SER 43 Ca 0.47 0.00 -0.48 0.00 -1.23 0.00 0.00 61.79 60.55 1nbl h SER 43 Cb 0.81 0.00 -0.33 0.00 -0.44 0.00 0.00 62.40 62.43 1nbl h SER 43 CO -0.22 0.52 -0.84 -1.00 -0.53 0.00 0.00 176.83 174.76 1nbl s HIS 44 N -3.69 0.37 0.36 2.24 3.76 -0.78 -4.70 115.29 112.86 1nbl s HIS 44 Ca -0.01 -1.75 0.10 0.00 -0.15 0.00 0.00 55.06 53.24 1nbl s HIS 44 Cb 0.12 -0.61 0.69 0.00 1.11 0.00 0.00 32.58 33.89 1nbl s HIS 44 CO 0.74 -0.93 1.84 -1.00 -0.85 0.00 0.00 174.74 174.53 1nbl h PRO 45 N 5.80 0.16 -0.00 8.40 0.13 -1.14 -2.92 132.00 142.43 1nbl h PRO 45 Ca 0.19 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1nbl h PRO 45 Cb 0.97 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1nbl h PRO 45 CO 0.27 0.43 0.00 0.45 -0.23 0.00 0.00 178.00 178.92