#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 0.37 -0.01 3.14 1.04 -1.26 -1.09 113.70 115.89 1nbl s SER 2 Ca 0.00 -0.02 0.03 0.00 0.48 0.00 0.00 55.95 56.44 1nbl s SER 2 Cb 0.00 -0.20 -0.01 0.00 0.10 0.00 0.00 66.02 65.91 1nbl s SER 2 CO 0.00 -0.09 -0.11 0.00 0.98 0.00 0.00 173.24 174.01 1nbl n ARG 5 N 0.61 0.66 -3.70 0.00 1.85 -1.25 -0.14 116.66 114.69 1nbl n ARG 5 Ca -0.13 0.01 -0.06 0.00 -1.00 0.00 0.00 57.85 56.67 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 -2.26 -0.28 0.51 2.89 6.03 -1.26 -4.52 114.94 116.06 1nbl s ASN 6 Ca 0.35 -0.34 0.24 0.00 -1.03 0.00 0.00 52.86 52.08 1nbl s ASN 6 Cb 0.19 0.55 1.39 0.00 -3.03 0.00 0.00 41.25 40.35 1nbl s ASN 6 CO 0.37 -0.98 2.08 0.74 -2.03 0.00 0.00 177.10 177.28 1nbl h THR 7 N 2.00 0.72 -0.25 0.54 2.02 -1.89 0.20 112.91 116.25 1nbl h THR 7 Ca -0.24 -0.47 0.05 0.00 0.77 0.00 0.00 66.41 66.53 1nbl h THR 7 Cb 1.25 1.28 -0.05 0.00 -1.74 0.00 0.00 68.15 68.89 1nbl h THR 7 CO 0.27 0.11 -0.09 0.25 0.37 0.00 0.00 175.52 176.43 1nbl h LEU 8 N 0.00 -0.32 -0.20 2.58 6.46 -1.98 0.42 115.31 122.28 1nbl h LEU 8 Ca -0.00 0.09 -0.22 0.00 -0.12 0.00 0.00 57.88 57.62 1nbl h LEU 8 Cb 0.27 0.19 0.01 0.00 -0.73 0.00 0.00 40.66 40.40 1nbl h LEU 8 CO 0.02 -0.12 -0.86 0.00 -0.62 0.00 0.00 178.44 176.85 1nbl h ALA 9 N 1.18 0.37 -0.85 1.25 0.00 -1.19 -0.63 119.26 119.39 1nbl h ALA 9 Ca 0.13 -0.65 0.15 0.00 0.00 0.00 0.00 54.91 54.54 1nbl h ALA 9 Cb 0.24 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.92 1nbl h ALA 9 CO -0.28 0.74 0.42 -0.09 0.00 0.00 0.00 179.25 180.04 1nbl h ARG 10 N 0.36 0.57 -0.03 0.00 9.65 -0.79 0.34 114.38 124.47 1nbl h ARG 10 Ca -0.07 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.77 1nbl h ARG 10 Cb 1.48 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 29.93 1nbl h ARG 10 CO 0.16 0.38 -0.01 -0.91 2.80 0.00 0.00 179.97 182.39 1nbl h ASN 11 N 0.59 0.07 -0.84 -3.80 2.35 -0.23 0.17 115.58 113.89 1nbl h ASN 11 Ca 0.47 -0.41 0.17 0.00 -0.55 0.00 0.00 56.30 55.98 1nbl h ASN 11 Cb 0.69 -0.02 -0.11 0.00 0.05 0.00 0.00 38.32 38.93 1nbl h ASN 11 CO -0.38 0.46 0.37 0.00 -1.65 0.00 0.00 177.43 176.23 1nbl h TYR 13 N 0.48 0.22 -0.20 0.00 5.03 -0.15 0.44 116.97 122.80 1nbl h TYR 13 Ca 0.48 -0.07 -0.01 0.00 2.58 0.00 0.00 58.73 61.71 1nbl h TYR 13 Cb 0.80 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 39.03 1nbl h TYR 13 CO -0.14 0.67 0.08 -0.91 -1.32 0.00 0.00 178.16 176.55 1nbl h ASN 14 N -0.30 0.24 0.02 -2.11 2.35 -0.57 0.21 115.58 115.42 1nbl h ASN 14 Ca 0.01 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1nbl h ASN 14 Cb 0.65 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.96 1nbl h ASN 14 CO 0.02 0.22 -0.01 0.00 -1.65 0.00 0.00 177.43 176.01 1nbl h ALA 15 N 1.82 -0.03 0.00 -0.83 0.00 -0.64 -0.04 119.26 119.55 1nbl h ALA 15 Ca 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1nbl h ALA 15 Cb 0.05 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1nbl h ALA 15 CO -0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 179.25 178.97 1nbl h ARG 17 N 0.00 0.00 0.58 0.00 2.47 -0.99 0.76 114.38 117.20 1nbl h ARG 17 Ca -0.00 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 1nbl h ARG 17 Cb 0.34 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.66 1nbl h ARG 17 CO 0.00 0.13 -0.28 0.35 0.56 0.00 0.00 179.97 180.73 1nbl h PHE 18 N 0.00 -0.73 -0.15 3.04 3.04 0.12 -2.95 116.94 119.30 1nbl h PHE 18 Ca -0.02 -0.02 0.04 0.00 3.98 0.00 0.00 57.97 61.96 1nbl h PHE 18 Cb 1.15 0.24 -0.01 0.00 2.56 0.00 0.00 35.95 39.89 1nbl h PHE 18 CO 0.00 -0.40 0.23 1.79 -2.02 0.00 0.00 178.31 177.91 1nbl h THR 19 N -0.95 0.32 -0.25 4.41 1.35 -0.77 -3.46 112.91 113.56 1nbl h THR 19 Ca -0.08 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 65.67 1nbl h THR 19 Cb 0.65 0.80 -0.04 0.00 -1.73 0.00 0.00 68.15 67.83 1nbl h THR 19 CO 0.13 0.00 -0.10 0.61 -0.25 0.00 0.00 175.52 175.92 1nbl n GLY 20 N -1.34 0.61 0.00 5.82 0.00 0.18 -4.95 105.19 105.51 1nbl n GLY 20 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.36 -0.44 3.67 -0.02 0.00 -0.74 -4.88 105.19 102.42 1nbl n GLY 21 Ca -0.05 0.09 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.41 -0.29 0.16 1.61 0.01 -1.26 -5.01 113.70 107.51 1nbl s SER 22 Ca 0.00 -0.30 -0.15 0.00 1.31 0.00 0.00 55.95 56.82 1nbl s SER 22 Cb 0.00 0.53 0.03 0.00 0.21 0.00 0.00 66.02 66.80 1nbl s SER 22 CO 0.00 -0.94 1.75 1.56 0.41 0.00 0.00 173.24 176.02 1nbl h GLN 23 N 2.00 0.68 0.18 12.44 4.20 -1.93 -0.77 115.11 131.91 1nbl h GLN 23 Ca -0.24 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.39 1nbl h GLN 23 Cb 1.25 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.88 1nbl h GLN 23 CO 0.28 0.55 -0.18 -1.35 -0.67 0.00 0.00 178.83 177.46 1nbl h PRO 24 N 0.63 -0.37 -0.98 1.46 0.11 -1.98 -1.24 132.00 129.63 1nbl h PRO 24 Ca 0.17 0.03 0.20 0.00 0.11 0.00 0.00 66.00 66.50 1nbl h PRO 24 Cb 0.08 0.09 -0.11 0.00 0.11 0.00 0.00 31.00 31.16 1nbl h PRO 24 CO -0.02 -0.25 0.57 1.15 -0.21 0.00 0.00 178.00 179.23 1nbl h THR 25 N -0.39 0.66 0.23 -1.15 2.02 -1.87 0.67 112.91 113.08 1nbl h THR 25 Ca 0.00 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 1nbl h THR 25 Cb 0.37 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1nbl h THR 25 CO -0.05 0.13 -0.11 0.00 0.37 0.00 0.00 175.52 175.86 1nbl h GLY 27 N -0.70 0.00 0.00 0.00 0.00 -0.24 -0.08 103.07 102.04 1nbl h GLY 27 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1nbl h GLY 27 CO 0.05 0.00 -0.51 1.39 0.00 0.00 0.00 176.54 177.47 1nbl n ILE 28 N -2.28 1.23 -0.22 2.60 5.41 0.23 -0.06 119.36 126.26 1nbl n ILE 28 Ca -0.01 0.25 -0.07 0.00 1.00 0.00 0.00 62.75 63.91 1nbl n ILE 28 Cb 0.07 -2.26 0.03 0.00 -0.71 0.00 0.00 39.64 36.77 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 -0.86 0.81 -0.23 1.39 3.38 -0.62 -0.83 115.31 118.35 1nbl h LEU 29 Ca 0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1nbl h LEU 29 Cb 0.51 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1nbl h LEU 29 CO 0.00 0.73 -0.19 0.00 0.09 0.00 0.00 178.44 179.06 1nbl n ASP 31 N -1.03 -3.44 -4.98 0.00 9.92 -0.32 -4.68 116.55 112.02 1nbl n ASP 31 Ca 0.12 -0.63 -0.19 0.00 -0.53 0.00 0.00 54.79 53.56 1nbl n ASP 31 Cb 0.31 -4.88 0.03 0.00 -0.64 0.00 0.00 41.12 35.93 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 -2.09 0.00 -3.76 0.00 -5.35 -0.39 -4.41 119.36 103.36 1nbl n ILE 33 Ca 0.09 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 62.32 1nbl n ILE 33 Cb 0.60 0.00 -0.17 0.00 -1.74 0.00 0.00 39.64 38.32 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 -1.13 0.83 0.07 4.28 5.65 -1.26 -3.40 115.29 120.32 1nbl s HIS 34 Ca 0.00 -0.46 -0.02 0.00 0.25 0.00 0.00 55.06 54.83 1nbl s HIS 34 Cb 0.00 -0.90 -0.04 0.00 -1.18 0.00 0.00 32.58 30.45 1nbl s HIS 34 CO 0.00 -0.45 0.25 0.14 -0.65 0.00 0.00 174.74 174.03 1nbl s VAL 35 N 1.92 5.33 -0.56 0.89 -7.23 -0.25 -4.95 120.40 115.55 1nbl s VAL 35 Ca 0.03 -0.22 0.03 0.00 -1.81 0.00 0.00 61.98 60.00 1nbl s VAL 35 Cb -0.14 -3.61 0.41 0.00 0.56 0.00 0.00 36.38 33.59 1nbl s VAL 35 CO -0.07 0.15 1.46 0.35 -0.31 0.00 0.00 175.10 176.69 1nbl n THR 36 N 0.37 2.84 -1.88 5.32 -2.24 -1.26 -3.85 114.28 113.59 1nbl n THR 36 Ca -0.05 -4.53 -0.29 0.00 -2.27 0.00 0.00 64.05 56.91 1nbl n THR 36 Cb 0.51 -1.24 0.13 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 -5.24 1.99 0.10 4.28 2.01 -1.26 -5.01 115.64 112.51 1nbl s THR 37 Ca 0.51 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 62.34 1nbl s THR 37 Cb 0.42 -2.98 -0.06 0.00 0.01 0.00 0.00 72.50 69.90 1nbl s THR 37 CO -0.22 0.00 1.54 0.74 -0.69 0.00 0.00 174.62 175.99 1nbl h THR 38 N -1.35 1.26 -3.32 -0.82 2.02 -2.05 -3.48 112.91 105.17 1nbl h THR 38 Ca -0.46 -0.95 -0.04 0.00 0.77 0.00 0.00 66.41 65.73 1nbl h THR 38 Cb 1.29 1.26 -0.04 0.00 -1.74 0.00 0.00 68.15 68.91 1nbl h THR 38 CO 0.54 0.31 0.10 -0.89 0.37 0.00 0.00 175.52 175.95 1nbl s THR 39 N -4.99 0.00 -0.10 3.16 2.01 -1.26 -5.13 115.64 109.33 1nbl s THR 39 Ca -0.13 -1.18 -0.29 0.00 0.31 0.00 0.00 61.69 60.39 1nbl s THR 39 Cb 0.09 -2.46 -0.05 0.00 0.01 0.00 0.00 72.50 70.09 1nbl s THR 39 CO 0.77 0.00 1.68 0.00 -0.69 0.00 0.00 174.62 176.38 1nbl s PRO 41 N 4.31 0.45 0.41 0.00 0.04 -1.19 -4.66 135.00 134.37 1nbl s PRO 41 Ca 0.75 0.30 0.13 0.00 0.04 0.00 0.00 61.00 62.22 1nbl s PRO 41 Cb -0.31 -1.76 0.97 0.00 0.04 0.00 0.00 34.50 33.44 1nbl s PRO 41 CO 0.30 -2.67 1.94 0.77 0.04 0.00 0.00 177.00 177.38 1nbl h SER 42 N -1.84 0.45 0.29 6.66 0.02 -1.95 -1.75 113.55 115.43 1nbl h SER 42 Ca -0.52 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.38 1nbl h SER 42 Cb 1.32 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 1nbl h SER 42 CO 0.56 0.26 -0.33 0.28 -1.14 0.00 0.00 176.83 176.46 1nbl h SER 43 N 0.49 0.06 -1.82 3.07 0.02 -1.99 -3.39 113.55 109.99 1nbl h SER 43 Ca 0.34 -0.02 -0.42 0.00 -0.84 0.00 0.00 61.79 60.86 1nbl h SER 43 Cb 0.66 -0.02 -0.29 0.00 0.14 0.00 0.00 62.40 62.89 1nbl h SER 43 CO -0.11 0.38 -0.79 1.41 -1.14 0.00 0.00 176.83 176.58 1nbl n HIS 44 N -4.14 -2.08 0.12 3.45 8.25 -0.73 -4.72 115.22 115.37 1nbl n HIS 44 Ca -0.02 -2.54 0.02 0.00 -0.26 0.00 0.00 57.72 54.92 1nbl n HIS 44 Cb 0.38 0.75 0.36 0.00 1.12 0.00 0.00 29.99 32.59 1nbl n HIS 44 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1nbl h PRO 45 N 5.37 0.20 -0.01 -0.41 0.13 -1.04 -3.14 132.00 133.10 1nbl h PRO 45 Ca 0.19 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1nbl h PRO 45 Cb 0.99 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1nbl h PRO 45 CO 0.23 0.42 0.00 0.45 -0.23 0.00 0.00 178.00 178.87