#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 1.07 -0.02 3.14 0.01 -1.26 -0.84 113.70 115.81 1nbl s SER 2 Ca 0.00 -0.16 0.01 0.00 1.31 0.00 0.00 55.95 57.10 1nbl s SER 2 Cb 0.00 -0.42 0.01 0.00 0.21 0.00 0.00 66.02 65.82 1nbl s SER 2 CO 0.00 0.00 -0.01 0.00 0.41 0.00 0.00 173.24 173.64 1nbl n ARG 5 N 0.37 0.65 -3.68 0.00 1.85 -1.25 -0.03 116.66 114.56 1nbl n ARG 5 Ca -0.11 0.02 -0.06 0.00 -1.00 0.00 0.00 57.85 56.70 1nbl n ARG 5 Cb 0.53 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.42 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 -2.23 -0.27 0.50 2.89 6.03 -1.26 -4.54 114.94 116.06 1nbl s ASN 6 Ca 0.34 -0.31 0.22 0.00 -1.03 0.00 0.00 52.86 52.09 1nbl s ASN 6 Cb 0.18 0.51 1.33 0.00 -3.03 0.00 0.00 41.25 40.24 1nbl s ASN 6 CO 0.34 -0.92 2.07 0.74 -2.03 0.00 0.00 177.10 177.31 1nbl h THR 7 N 2.00 0.79 -0.27 0.54 2.02 -1.95 0.17 112.91 116.21 1nbl h THR 7 Ca -0.24 -0.48 0.06 0.00 0.77 0.00 0.00 66.41 66.52 1nbl h THR 7 Cb 1.24 1.28 -0.06 0.00 -1.74 0.00 0.00 68.15 68.88 1nbl h THR 7 CO 0.27 0.12 -0.10 0.25 0.37 0.00 0.00 175.52 176.44 1nbl h LEU 8 N 0.00 -0.35 -0.18 2.58 6.46 -1.98 0.37 115.31 122.21 1nbl h LEU 8 Ca -0.00 0.10 -0.23 0.00 -0.12 0.00 0.00 57.88 57.63 1nbl h LEU 8 Cb 0.27 0.21 0.01 0.00 -0.73 0.00 0.00 40.66 40.42 1nbl h LEU 8 CO 0.02 -0.13 -0.86 0.00 -0.62 0.00 0.00 178.44 176.85 1nbl h ALA 9 N 1.20 0.34 -0.84 1.25 0.00 -1.19 -0.52 119.26 119.49 1nbl h ALA 9 Ca 0.14 -0.64 0.17 0.00 0.00 0.00 0.00 54.91 54.58 1nbl h ALA 9 Cb 0.26 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.94 1nbl h ALA 9 CO -0.31 0.72 0.37 -0.09 0.00 0.00 0.00 179.25 179.94 1nbl h ARG 10 N 0.40 0.47 0.03 0.00 9.65 -0.85 0.34 114.38 124.42 1nbl h ARG 10 Ca -0.07 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.78 1nbl h ARG 10 Cb 1.48 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.96 1nbl h ARG 10 CO 0.16 0.31 -0.01 -0.91 2.80 0.00 0.00 179.97 182.32 1nbl h ASN 11 N 0.48 -0.03 -0.79 -3.80 2.35 -0.23 0.84 115.58 114.40 1nbl h ASN 11 Ca 0.48 -0.43 0.19 0.00 -0.55 0.00 0.00 56.30 55.99 1nbl h ASN 11 Cb 0.79 0.01 -0.13 0.00 0.05 0.00 0.00 38.32 39.04 1nbl h ASN 11 CO -0.44 0.42 0.11 0.00 -1.65 0.00 0.00 177.43 175.88 1nbl h TYR 13 N 0.17 0.47 -0.03 0.00 5.03 -0.06 0.49 116.97 123.05 1nbl h TYR 13 Ca 0.46 -0.10 -0.06 0.00 2.58 0.00 0.00 58.73 61.61 1nbl h TYR 13 Cb 0.84 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.99 1nbl h TYR 13 CO -0.34 0.65 -0.28 -0.91 -1.32 0.00 0.00 178.16 175.96 1nbl h ASN 14 N 0.16 0.06 0.01 -2.11 2.35 -0.65 -1.11 115.58 114.29 1nbl h ASN 14 Ca 0.06 -0.02 -0.22 0.00 -0.55 0.00 0.00 56.30 55.57 1nbl h ASN 14 Cb 0.49 -0.02 0.02 0.00 0.05 0.00 0.00 38.32 38.86 1nbl h ASN 14 CO 0.02 0.34 -0.87 0.00 -1.65 0.00 0.00 177.43 175.27 1nbl h ALA 15 N 1.67 0.10 -0.37 -0.83 0.00 -0.57 -1.32 119.26 117.94 1nbl h ALA 15 Ca 0.01 -0.65 -0.05 0.00 0.00 0.00 0.00 54.91 54.22 1nbl h ALA 15 Cb 0.52 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1nbl h ALA 15 CO 0.04 0.54 0.02 0.00 0.00 0.00 0.00 179.25 179.85 1nbl h ARG 17 N 0.54 0.46 0.47 0.00 9.65 -1.18 -1.87 114.38 122.45 1nbl h ARG 17 Ca 0.12 -0.14 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 1nbl h ARG 17 Cb 0.32 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 1nbl h ARG 17 CO 0.01 0.60 -0.22 0.35 2.80 0.00 0.00 179.97 183.51 1nbl h PHE 18 N 0.42 -0.58 0.00 2.20 3.04 -0.65 -3.32 116.94 118.06 1nbl h PHE 18 Ca 0.08 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.01 1nbl h PHE 18 Cb 0.51 0.19 0.00 0.00 2.56 0.00 0.00 35.95 39.21 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 0.20 -4.80 114.28 106.51 1nbl n THR 19 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1nbl n THR 19 Cb 0.27 -0.89 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 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 -0.63 2.98 3.51 3.38 0.00 -1.14 -4.97 105.19 108.31 1nbl n GLY 20 Ca 0.04 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.00 0.50 3.60 -0.02 0.00 -0.92 -4.90 105.19 101.47 1nbl n GLY 21 Ca 0.00 0.97 -0.30 0.00 0.00 0.00 0.00 46.02 46.69 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 5.67 2.16 0.20 1.61 0.01 -1.26 -3.69 113.70 118.40 1nbl s SER 22 Ca 1.07 1.99 -0.10 0.00 1.31 0.00 0.00 55.95 60.22 1nbl s SER 22 Cb -1.06 -2.50 0.21 0.00 0.21 0.00 0.00 66.02 62.88 1nbl s SER 22 CO 0.59 -3.54 1.82 1.56 0.41 0.00 0.00 173.24 174.07 1nbl h GLN 23 N -2.17 0.68 0.36 12.44 7.50 -1.94 0.82 115.11 132.80 1nbl h GLN 23 Ca -0.49 -0.04 -0.00 0.00 0.50 0.00 0.00 58.65 58.61 1nbl h GLN 23 Cb 1.29 -0.15 -0.03 0.00 0.05 0.00 0.00 27.48 28.64 1nbl h GLN 23 CO 0.44 0.45 -0.43 -1.35 -1.50 0.00 0.00 178.83 176.44 1nbl h PRO 24 N 0.70 -0.80 -0.87 1.46 0.11 -1.98 -1.86 132.00 128.76 1nbl h PRO 24 Ca 0.28 0.05 0.18 0.00 0.11 0.00 0.00 66.00 66.62 1nbl h PRO 24 Cb 0.13 0.18 -0.06 0.00 0.11 0.00 0.00 31.00 31.35 1nbl h PRO 24 CO -0.15 -0.53 0.57 1.15 -0.21 0.00 0.00 178.00 178.83 1nbl h THR 25 N -0.83 0.73 0.31 -1.15 2.02 -1.60 0.35 112.91 112.74 1nbl h THR 25 Ca -0.03 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 1nbl h THR 25 Cb 0.75 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1nbl h THR 25 CO -0.10 0.08 -0.15 0.00 0.37 0.00 0.00 175.52 175.72 1nbl h GLY 27 N -0.89 0.00 0.00 0.00 0.00 -0.39 -1.47 103.07 100.32 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 -0.29 -2.22 0.00 0.00 0.00 176.54 174.10 1nbl h ILE 28 N 0.00 0.00 -0.45 2.60 2.04 -0.29 0.15 117.51 121.56 1nbl h ILE 28 Ca 0.00 -0.72 -0.06 0.00 1.00 0.00 0.00 64.86 65.08 1nbl h ILE 28 Cb 0.05 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.11 1nbl h ILE 28 CO 0.00 0.00 0.05 -0.07 0.00 0.00 0.00 178.15 178.13 1nbl h LEU 29 N -0.72 0.74 0.00 1.44 3.38 -0.70 -0.12 115.31 119.34 1nbl h LEU 29 Ca 0.00 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1nbl h LEU 29 Cb 0.29 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1nbl h LEU 29 CO 0.00 0.83 0.00 0.00 0.09 0.00 0.00 178.44 179.36 1nbl n ASP 31 N -1.45 -1.82 -3.96 0.00 8.00 -0.06 -4.74 116.55 112.53 1nbl n ASP 31 Ca 0.08 -0.74 -0.28 0.00 0.71 0.00 0.00 54.79 54.56 1nbl n ASP 31 Cb 0.29 -4.44 0.19 0.00 -0.02 0.00 0.00 41.12 37.13 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 -3.66 0.00 -3.79 0.00 -5.35 -0.53 -4.56 119.36 101.47 1nbl n ILE 33 Ca 0.16 0.00 -0.26 0.00 -0.27 0.00 0.00 62.75 62.38 1nbl n ILE 33 Cb 0.57 0.00 -0.17 0.00 -1.74 0.00 0.00 39.64 38.30 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 -1.28 1.08 0.09 4.28 5.65 -1.26 -3.46 115.29 120.39 1nbl s HIS 34 Ca 0.00 -0.68 -0.00 0.00 0.25 0.00 0.00 55.06 54.63 1nbl s HIS 34 Cb 0.00 -1.03 -0.04 0.00 -1.18 0.00 0.00 32.58 30.33 1nbl s HIS 34 CO 0.00 -0.52 0.24 0.14 -0.65 0.00 0.00 174.74 173.96 1nbl s VAL 35 N 1.84 5.35 -0.50 0.89 -7.23 -0.02 -4.97 120.40 115.77 1nbl s VAL 35 Ca 0.02 -0.40 0.04 0.00 -1.81 0.00 0.00 61.98 59.83 1nbl s VAL 35 Cb -0.15 -3.65 0.41 0.00 0.56 0.00 0.00 36.38 33.55 1nbl s VAL 35 CO -0.07 0.08 1.26 0.35 -0.31 0.00 0.00 175.10 176.41 1nbl n THR 36 N 0.10 2.57 -0.69 5.32 -2.24 -1.26 -3.68 114.28 114.40 1nbl n THR 36 Ca -0.05 -4.79 -0.24 0.00 -2.27 0.00 0.00 64.05 56.70 1nbl n THR 36 Cb 0.52 -1.26 0.21 0.00 -2.10 0.00 0.00 70.33 67.70 1nbl n THR 36 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1nbl n THR 37 N -0.50 0.00 0.01 4.28 -2.24 -1.26 -4.99 114.28 109.58 1nbl n THR 37 Ca 0.42 -0.26 -0.12 0.00 -2.27 0.00 0.00 64.05 61.82 1nbl n THR 37 Cb 0.61 -1.05 -0.08 0.00 -2.10 0.00 0.00 70.33 67.71 1nbl n THR 37 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1nbl h THR 38 N -2.74 1.15 -2.34 4.28 2.02 -2.06 -3.49 112.91 109.72 1nbl h THR 38 Ca -0.32 -0.43 0.18 0.00 0.77 0.00 0.00 66.41 66.61 1nbl h THR 38 Cb 1.01 1.40 -0.08 0.00 -1.74 0.00 0.00 68.15 68.74 1nbl h THR 38 CO 0.20 0.12 0.50 -0.89 0.37 0.00 0.00 175.52 175.82 1nbl s THR 39 N -5.48 0.00 -0.00 3.16 2.01 -1.26 -5.14 115.64 108.93 1nbl s THR 39 Ca -0.14 -0.66 -0.31 0.00 0.31 0.00 0.00 61.69 60.89 1nbl s THR 39 Cb 0.05 -2.09 -0.10 0.00 0.01 0.00 0.00 72.50 70.37 1nbl s THR 39 CO 0.67 0.00 1.95 0.00 -0.69 0.00 0.00 174.62 176.55 1nbl s PRO 41 N 4.37 -1.96 0.20 0.00 0.04 -1.09 -4.68 135.00 131.88 1nbl s PRO 41 Ca 0.90 0.32 -0.10 0.00 0.04 0.00 0.00 61.00 62.16 1nbl s PRO 41 Cb -0.52 -1.48 0.25 0.00 0.04 0.00 0.00 34.50 32.80 1nbl s PRO 41 CO 0.45 -4.28 1.76 0.77 0.04 0.00 0.00 177.00 175.74 1nbl h SER 42 N -3.00 0.32 0.25 6.66 0.02 -1.96 -2.69 113.55 113.16 1nbl h SER 42 Ca -0.50 0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.45 1nbl h SER 42 Cb 1.33 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.88 1nbl h SER 42 CO 0.37 0.20 -0.26 0.77 -1.14 0.00 0.00 176.83 176.77 1nbl h SER 43 N 0.48 0.02 -2.18 3.07 4.64 -1.99 -3.38 113.55 114.22 1nbl h SER 43 Ca 0.29 -0.01 -0.49 0.00 -0.47 0.00 0.00 61.79 61.12 1nbl h SER 43 Cb 0.30 -0.01 -0.34 0.00 -0.31 0.00 0.00 62.40 62.04 1nbl h SER 43 CO -0.25 0.28 -0.82 -1.00 -0.87 0.00 0.00 176.83 174.17 1nbl s HIS 44 N -4.45 0.37 0.32 4.77 3.76 -1.18 -4.73 115.29 114.15 1nbl s HIS 44 Ca -0.04 -1.59 0.05 0.00 -0.15 0.00 0.00 55.06 53.33 1nbl s HIS 44 Cb 0.15 -0.66 0.54 0.00 1.11 0.00 0.00 32.58 33.72 1nbl s HIS 44 CO 0.71 -0.91 1.79 -1.00 -0.85 0.00 0.00 174.74 174.49 1nbl h PRO 45 N 6.30 0.41 -0.01 8.40 0.13 -1.17 -2.89 132.00 143.17 1nbl h PRO 45 Ca 0.14 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1nbl h PRO 45 Cb 0.98 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1nbl h PRO 45 CO 0.26 0.59 0.00 0.45 -0.23 0.00 0.00 178.00 179.07