#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 -0.28 -0.01 3.14 1.04 -1.26 -0.46 113.70 115.87 1nbl s SER 2 Ca 0.00 0.54 0.01 0.00 0.48 0.00 0.00 55.95 56.98 1nbl s SER 2 Cb 0.00 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1nbl s SER 2 CO 0.00 -0.13 -0.02 0.00 0.98 0.00 0.00 173.24 174.07 1nbl h ARG 5 N 3.12 0.10 -3.02 0.00 -0.00 -1.83 0.74 114.38 113.50 1nbl h ARG 5 Ca -0.48 -0.01 0.01 0.00 -0.00 0.00 0.00 59.98 59.51 1nbl h ARG 5 Cb 1.19 -0.02 -0.09 0.00 -0.00 0.00 0.00 29.97 31.04 1nbl h ARG 5 CO 0.54 0.07 0.21 0.54 -0.00 0.00 0.00 179.97 181.33 1nbl s ASN 6 N -6.39 -0.43 0.52 0.08 4.22 -1.26 -4.24 114.94 107.43 1nbl s ASN 6 Ca -0.06 -0.26 0.25 0.00 -2.14 0.00 0.00 52.86 50.65 1nbl s ASN 6 Cb 0.19 0.65 1.42 0.00 1.28 0.00 0.00 41.25 44.79 1nbl s ASN 6 CO 0.72 -1.12 2.09 0.74 -2.04 0.00 0.00 177.10 177.49 1nbl h THR 7 N 2.01 0.67 -0.23 0.54 2.02 -1.89 0.24 112.91 116.27 1nbl h THR 7 Ca -0.28 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.44 1nbl h THR 7 Cb 1.28 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 1nbl h THR 7 CO 0.32 0.11 0.15 0.25 0.37 0.00 0.00 175.52 176.72 1nbl h LEU 8 N 0.00 0.26 -0.29 2.58 6.46 -1.98 0.83 115.31 123.17 1nbl h LEU 8 Ca -0.00 -0.01 -0.20 0.00 -0.12 0.00 0.00 57.88 57.55 1nbl h LEU 8 Cb 0.28 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.15 1nbl h LEU 8 CO 0.01 0.19 -0.73 0.00 -0.62 0.00 0.00 178.44 177.30 1nbl h ALA 9 N 1.09 0.46 -0.95 1.25 0.00 -1.13 -0.70 119.26 119.28 1nbl h ALA 9 Ca 0.08 -0.59 0.12 0.00 0.00 0.00 0.00 54.91 54.52 1nbl h ALA 9 Cb -0.03 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 1nbl h ALA 9 CO -0.02 0.71 0.58 -0.09 0.00 0.00 0.00 179.25 180.43 1nbl h ARG 10 N 0.44 0.89 0.13 0.00 9.65 -0.73 0.30 114.38 125.06 1nbl h ARG 10 Ca -0.03 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.79 1nbl h ARG 10 Cb 1.33 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.71 1nbl h ARG 10 CO 0.14 0.59 -0.06 -0.91 2.80 0.00 0.00 179.97 182.53 1nbl h ASN 11 N 0.92 -0.15 -0.75 -3.80 2.35 -0.20 0.16 115.58 114.10 1nbl h ASN 11 Ca 0.47 -0.31 0.17 0.00 -0.55 0.00 0.00 56.30 56.08 1nbl h ASN 11 Cb 0.47 0.04 -0.12 0.00 0.05 0.00 0.00 38.32 38.75 1nbl h ASN 11 CO -0.27 0.25 0.08 0.00 -1.65 0.00 0.00 177.43 175.84 1nbl h TYR 13 N 0.16 -0.03 -0.25 0.00 5.03 -0.22 0.46 116.97 122.13 1nbl h TYR 13 Ca 0.42 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.73 1nbl h TYR 13 Cb 0.75 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 39.02 1nbl h TYR 13 CO -0.35 0.26 0.15 -0.91 -1.32 0.00 0.00 178.16 175.99 1nbl h ASN 14 N -0.32 0.29 -0.05 -2.11 2.35 -0.50 0.10 115.58 115.33 1nbl h ASN 14 Ca -0.00 -0.01 -0.17 0.00 -0.55 0.00 0.00 56.30 55.57 1nbl h ASN 14 Cb 0.30 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 38.61 1nbl h ASN 14 CO 0.00 0.22 -0.62 0.00 -1.65 0.00 0.00 177.43 175.39 1nbl h ALA 15 N 1.83 0.14 -0.15 -0.83 0.00 -0.69 -0.75 119.26 118.82 1nbl h ALA 15 Ca 0.09 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 1nbl h ALA 15 Cb -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1nbl h ALA 15 CO -0.02 0.42 -0.25 0.00 0.00 0.00 0.00 179.25 179.40 1nbl h ARG 17 N 0.24 0.00 0.63 0.00 2.47 -0.82 -2.06 114.38 114.85 1nbl h ARG 17 Ca 0.04 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.73 1nbl h ARG 17 Cb 0.58 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.91 1nbl h ARG 17 CO 0.04 0.43 -0.30 0.35 0.56 0.00 0.00 179.97 181.04 1nbl h PHE 18 N 0.00 -0.79 -3.16 3.04 3.04 -0.37 -3.47 116.94 115.23 1nbl h PHE 18 Ca -0.00 -0.02 -0.39 0.00 3.98 0.00 0.00 57.97 61.53 1nbl h PHE 18 Cb 0.79 0.26 0.21 0.00 2.56 0.00 0.00 35.95 39.77 1nbl h PHE 18 CO 0.00 -0.46 -0.05 0.95 -2.02 0.00 0.00 178.31 176.72 1nbl s THR 19 N -5.69 1.32 -0.18 4.41 -4.23 0.26 -4.91 115.64 106.62 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 0.03 -2.17 0.13 0.00 1.34 0.00 0.00 72.50 71.83 1nbl s THR 19 CO 0.59 0.00 1.12 0.61 -0.54 0.00 0.00 174.62 176.39 1nbl n GLY 20 N 0.80 2.38 3.52 3.99 0.00 -1.26 -4.72 105.19 109.90 1nbl n GLY 20 Ca 0.12 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 0.48 1.95 1.21 -0.02 0.00 -1.22 -5.09 107.32 104.64 1nbl s GLY 21 Ca 0.11 -1.40 -0.14 0.00 0.00 0.00 0.00 44.72 43.29 1nbl s GLY 21 CO 0.02 0.90 0.96 1.44 0.00 0.00 0.00 173.10 176.42 1nbl n SER 22 N 5.24 -2.04 -0.23 1.64 7.64 -1.26 -4.06 113.62 120.54 1nbl n SER 22 Ca -0.11 -0.24 -0.06 0.00 1.01 0.00 0.00 58.87 59.47 1nbl n SER 22 Cb 0.49 -1.22 0.04 0.00 -1.01 0.00 0.00 64.21 62.51 1nbl n SER 22 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1nbl h GLN 23 N -2.79 0.88 0.16 1.43 4.15 -1.98 0.25 115.11 117.20 1nbl h GLN 23 Ca -0.63 -0.07 0.02 0.00 0.77 0.00 0.00 58.65 58.73 1nbl h GLN 23 Cb 1.34 -0.19 -0.04 0.00 0.21 0.00 0.00 27.48 28.81 1nbl h GLN 23 CO 0.49 0.62 -0.32 -1.35 -1.93 0.00 0.00 178.83 176.33 1nbl h PRO 24 N 0.89 -0.55 -0.84 -2.39 0.11 -1.97 -1.22 132.00 126.03 1nbl h PRO 24 Ca 0.24 0.04 0.18 0.00 0.11 0.00 0.00 66.00 66.56 1nbl h PRO 24 Cb -0.04 0.13 -0.06 0.00 0.11 0.00 0.00 31.00 31.14 1nbl h PRO 24 CO -0.05 -0.37 0.56 1.15 -0.21 0.00 0.00 178.00 179.08 1nbl h THR 25 N -0.57 0.73 0.44 -1.15 2.02 -1.68 0.48 112.91 113.18 1nbl h THR 25 Ca 0.02 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 1nbl h THR 25 Cb 0.59 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1nbl h THR 25 CO -0.16 0.08 -0.21 0.00 0.37 0.00 0.00 175.52 175.59 1nbl n GLY 27 N -0.12 -0.64 0.07 0.00 0.00 -0.48 -0.73 105.19 103.30 1nbl n GLY 27 Ca -0.09 0.08 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.80 1.35 -0.14 -0.61 5.41 0.16 -0.44 119.36 123.29 1nbl n ILE 28 Ca -0.01 0.21 -0.10 0.00 1.00 0.00 0.00 62.75 63.85 1nbl n ILE 28 Cb 0.02 -2.31 -0.01 0.00 -0.71 0.00 0.00 39.64 36.63 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 -0.93 0.65 -0.42 1.39 3.38 -0.61 -0.69 115.31 118.08 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 0.66 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1nbl h LEU 29 CO 0.00 0.77 -0.01 0.00 0.09 0.00 0.00 178.44 179.29 1nbl n ASP 31 N -0.51 -5.87 -4.31 0.00 9.92 -0.27 -4.68 116.55 110.82 1nbl n ASP 31 Ca 0.21 0.03 -0.27 0.00 -0.53 0.00 0.00 54.79 54.23 1nbl n ASP 31 Cb 0.23 -4.91 0.16 0.00 -0.64 0.00 0.00 41.12 35.96 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 -3.42 0.00 -3.78 0.00 -5.35 -0.12 -4.48 119.36 102.22 1nbl n ILE 33 Ca 0.16 -0.36 -0.28 0.00 -0.27 0.00 0.00 62.75 61.99 1nbl n ILE 33 Cb 0.60 0.15 -0.16 0.00 -1.74 0.00 0.00 39.64 38.48 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 -1.90 1.29 -0.04 4.28 5.65 -1.26 -2.89 115.29 120.42 1nbl s HIS 34 Ca 0.04 -1.02 -0.04 0.00 0.25 0.00 0.00 55.06 54.29 1nbl s HIS 34 Cb 0.00 -1.13 -0.04 0.00 -1.18 0.00 0.00 32.58 30.23 1nbl s HIS 34 CO 0.03 -0.64 0.16 0.14 -0.65 0.00 0.00 174.74 173.78 1nbl s VAL 35 N 1.77 5.36 -0.66 0.89 -7.23 0.39 -4.94 120.40 115.98 1nbl s VAL 35 Ca -0.02 -0.08 0.01 0.00 -1.81 0.00 0.00 61.98 60.08 1nbl s VAL 35 Cb -0.17 -3.44 0.38 0.00 0.56 0.00 0.00 36.38 33.70 1nbl s VAL 35 CO -0.08 0.42 1.56 0.35 -0.31 0.00 0.00 175.10 177.05 1nbl n THR 36 N 1.29 3.08 -1.38 5.32 -2.24 -1.26 -4.01 114.28 115.07 1nbl n THR 36 Ca -0.14 -4.68 -0.30 0.00 -2.27 0.00 0.00 64.05 56.66 1nbl n THR 36 Cb 0.53 -1.27 0.21 0.00 -2.10 0.00 0.00 70.33 67.71 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 -5.26 1.76 0.11 4.28 2.01 -1.26 -4.99 115.64 112.29 1nbl s THR 37 Ca 0.50 0.00 -0.25 0.00 0.31 0.00 0.00 61.69 62.25 1nbl s THR 37 Cb 0.41 -2.67 -0.07 0.00 0.01 0.00 0.00 72.50 70.18 1nbl s THR 37 CO -0.30 0.00 1.67 0.74 -0.69 0.00 0.00 174.62 176.04 1nbl h THR 38 N -2.20 0.58 -2.90 -0.82 2.02 -2.05 -3.48 112.91 104.06 1nbl h THR 38 Ca -0.45 0.00 0.04 0.00 0.77 0.00 0.00 66.41 66.76 1nbl h THR 38 Cb 1.28 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 1nbl h THR 38 CO 0.38 0.00 0.32 -0.89 0.37 0.00 0.00 175.52 175.70 1nbl s THR 39 N -6.12 0.00 -0.09 3.16 2.01 -1.26 -5.13 115.64 108.21 1nbl s THR 39 Ca -0.15 -0.92 -0.32 0.00 0.31 0.00 0.00 61.69 60.61 1nbl s THR 39 Cb 0.08 -2.63 -0.10 0.00 0.01 0.00 0.00 72.50 69.87 1nbl s THR 39 CO 0.66 0.00 2.00 0.00 -0.69 0.00 0.00 174.62 176.59 1nbl s PRO 41 N 4.81 0.22 0.38 0.00 0.04 -1.13 -4.66 135.00 134.65 1nbl s PRO 41 Ca 0.94 0.14 0.10 0.00 0.04 0.00 0.00 61.00 62.22 1nbl s PRO 41 Cb -0.55 -1.75 0.86 0.00 0.04 0.00 0.00 34.50 33.10 1nbl s PRO 41 CO 0.45 -2.79 1.91 0.77 0.04 0.00 0.00 177.00 177.39 1nbl h SER 42 N -1.92 0.58 0.39 6.66 0.02 -1.96 -1.89 113.55 115.44 1nbl h SER 42 Ca -0.49 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.40 1nbl h SER 42 Cb 1.31 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 1nbl h SER 42 CO 0.50 0.32 -0.40 0.28 -1.14 0.00 0.00 176.83 176.39 1nbl h SER 43 N 0.63 0.02 -1.96 3.07 0.02 -1.98 -3.38 113.55 109.98 1nbl h SER 43 Ca 0.38 -0.01 -0.44 0.00 -0.84 0.00 0.00 61.79 60.89 1nbl h SER 43 Cb 0.61 -0.01 -0.31 0.00 0.14 0.00 0.00 62.40 62.84 1nbl h SER 43 CO -0.15 0.43 -0.79 -1.00 -1.14 0.00 0.00 176.83 174.17 1nbl s HIS 44 N -4.12 0.13 0.22 3.45 3.76 -0.87 -4.65 115.29 113.20 1nbl s HIS 44 Ca -0.03 -1.56 -0.03 0.00 -0.15 0.00 0.00 55.06 53.29 1nbl s HIS 44 Cb 0.14 -0.51 0.19 0.00 1.11 0.00 0.00 32.58 33.52 1nbl s HIS 44 CO 0.73 -0.97 1.60 -1.00 -0.85 0.00 0.00 174.74 174.25 1nbl h PRO 45 N 5.83 0.66 -0.01 8.40 0.13 -0.81 -3.00 132.00 143.20 1nbl h PRO 45 Ca 0.16 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1nbl h PRO 45 Cb 0.99 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1nbl h PRO 45 CO 0.24 0.90 0.00 0.45 -0.23 0.00 0.00 178.00 179.37