#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 0.40 -0.04 3.14 0.15 -1.26 -1.28 113.70 114.81 1nbl s SER 2 Ca 0.00 0.04 0.04 0.00 0.70 0.00 0.00 55.95 56.73 1nbl s SER 2 Cb 0.00 -0.11 -0.00 0.00 -1.71 0.00 0.00 66.02 64.19 1nbl s SER 2 CO 0.00 -0.16 -0.16 0.00 1.20 0.00 0.00 173.24 174.12 1nbl n ARG 5 N 0.55 0.86 -3.69 0.00 1.85 -1.25 -0.17 116.66 114.82 1nbl n ARG 5 Ca -0.10 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.70 1nbl n ARG 5 Cb 0.52 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.41 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 -2.06 -0.24 0.51 2.89 6.03 -1.26 -4.53 114.94 116.27 1nbl s ASN 6 Ca 0.42 -0.30 0.25 0.00 -1.03 0.00 0.00 52.86 52.20 1nbl s ASN 6 Cb 0.20 0.48 1.37 0.00 -3.03 0.00 0.00 41.25 40.27 1nbl s ASN 6 CO 0.35 -0.86 2.06 0.74 -2.03 0.00 0.00 177.10 177.36 1nbl h THR 7 N 2.00 0.69 -0.24 0.54 2.02 -1.89 0.18 112.91 116.21 1nbl h THR 7 Ca -0.24 -0.53 0.05 0.00 0.77 0.00 0.00 66.41 66.47 1nbl h THR 7 Cb 1.24 1.33 -0.06 0.00 -1.74 0.00 0.00 68.15 68.92 1nbl h THR 7 CO 0.27 0.13 -0.12 0.25 0.37 0.00 0.00 175.52 176.42 1nbl h LEU 8 N 0.00 -0.40 -0.21 2.58 6.46 -1.98 0.01 115.31 121.77 1nbl h LEU 8 Ca -0.00 0.10 -0.22 0.00 -0.12 0.00 0.00 57.88 57.64 1nbl h LEU 8 Cb 0.32 0.22 0.01 0.00 -0.73 0.00 0.00 40.66 40.47 1nbl h LEU 8 CO 0.02 -0.15 -0.77 0.00 -0.62 0.00 0.00 178.44 176.91 1nbl h ALA 9 N 1.10 0.37 -0.84 1.25 0.00 -1.21 -0.36 119.26 119.56 1nbl h ALA 9 Ca 0.13 -0.60 0.18 0.00 0.00 0.00 0.00 54.91 54.61 1nbl h ALA 9 Cb 0.28 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.94 1nbl h ALA 9 CO -0.30 0.70 0.37 -0.09 0.00 0.00 0.00 179.25 179.94 1nbl h ARG 10 N 0.49 0.46 0.08 0.00 9.65 -0.84 0.41 114.38 124.63 1nbl h ARG 10 Ca -0.05 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.80 1nbl h ARG 10 Cb 1.39 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.87 1nbl h ARG 10 CO 0.15 0.30 -0.04 -0.91 2.80 0.00 0.00 179.97 182.28 1nbl h ASN 11 N 0.47 -0.09 -0.88 -3.80 2.35 -0.29 0.97 115.58 114.31 1nbl h ASN 11 Ca 0.49 -0.38 0.23 0.00 -0.55 0.00 0.00 56.30 56.08 1nbl h ASN 11 Cb 0.82 0.02 -0.13 0.00 0.05 0.00 0.00 38.32 39.08 1nbl h ASN 11 CO -0.45 0.35 0.31 0.00 -1.65 0.00 0.00 177.43 175.99 1nbl h TYR 13 N 0.30 0.47 -0.05 0.00 5.03 0.03 0.45 116.97 123.20 1nbl h TYR 13 Ca 0.55 -0.16 -0.06 0.00 2.58 0.00 0.00 58.73 61.64 1nbl h TYR 13 Cb 1.08 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 39.26 1nbl h TYR 13 CO -0.20 0.83 -0.24 -0.91 -1.32 0.00 0.00 178.16 176.32 1nbl h ASN 14 N -0.03 0.07 -0.05 -2.11 2.35 -0.62 -0.59 115.58 114.61 1nbl h ASN 14 Ca 0.01 -0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.58 1nbl h ASN 14 Cb 0.79 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 39.15 1nbl h ASN 14 CO 0.05 0.32 -0.61 0.00 -1.65 0.00 0.00 177.43 175.53 1nbl h ALA 15 N 1.69 0.14 -0.32 -0.83 0.00 -0.66 -0.72 119.26 118.56 1nbl h ALA 15 Ca 0.01 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1nbl h ALA 15 Cb 0.46 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1nbl h ALA 15 CO 0.03 0.41 0.03 0.00 0.00 0.00 0.00 179.25 179.73 1nbl h ARG 17 N 0.47 0.27 0.52 0.00 9.65 -1.07 -1.87 114.38 122.35 1nbl h ARG 17 Ca 0.11 -0.11 -0.02 0.00 -1.10 0.00 0.00 59.98 58.85 1nbl h ARG 17 Cb 0.25 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 28.82 1nbl h ARG 17 CO 0.00 0.59 -0.29 0.35 2.80 0.00 0.00 179.97 183.42 1nbl h PHE 18 N 0.24 -0.77 -3.19 2.20 3.04 -0.37 -3.46 116.94 114.62 1nbl h PHE 18 Ca 0.03 -0.01 -0.39 0.00 3.98 0.00 0.00 57.97 61.58 1nbl h PHE 18 Cb 0.72 0.27 0.21 0.00 2.56 0.00 0.00 35.95 39.71 1nbl h PHE 18 CO 0.01 -0.46 -0.03 0.95 -2.02 0.00 0.00 178.31 176.77 1nbl s THR 19 N -6.06 1.30 -0.15 4.41 -4.23 0.29 -4.90 115.64 106.29 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 0.04 -2.23 0.13 0.00 1.34 0.00 0.00 72.50 71.78 1nbl s THR 19 CO 0.63 0.00 1.14 0.61 -0.54 0.00 0.00 174.62 176.45 1nbl n GLY 20 N 0.51 2.42 3.53 3.99 0.00 -1.26 -4.73 105.19 109.65 1nbl n GLY 20 Ca 0.14 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 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 0.50 1.94 1.21 -0.02 0.00 -1.20 -5.09 107.32 104.66 1nbl s GLY 21 Ca 0.11 -1.34 -0.13 0.00 0.00 0.00 0.00 44.72 43.35 1nbl s GLY 21 CO 0.02 0.90 0.99 1.44 0.00 0.00 0.00 173.10 176.45 1nbl n SER 22 N 5.25 -1.96 -0.25 1.64 7.64 -1.26 -3.98 113.62 120.70 1nbl n SER 22 Ca -0.11 -0.23 -0.06 0.00 1.01 0.00 0.00 58.87 59.49 1nbl n SER 22 Cb 0.49 -1.24 0.05 0.00 -1.01 0.00 0.00 64.21 62.50 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 -2.78 0.96 0.17 1.43 4.20 -1.98 0.43 115.11 117.53 1nbl h GLN 23 Ca -0.64 -0.12 0.01 0.00 0.06 0.00 0.00 58.65 57.97 1nbl h GLN 23 Cb 1.34 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.90 1nbl h GLN 23 CO 0.50 0.73 -0.32 -1.35 -0.67 0.00 0.00 178.83 177.72 1nbl h PRO 24 N 0.94 -0.55 -0.87 1.46 0.11 -1.98 -1.78 132.00 129.33 1nbl h PRO 24 Ca 0.24 0.04 0.17 0.00 0.11 0.00 0.00 66.00 66.56 1nbl h PRO 24 Cb 0.06 0.12 -0.07 0.00 0.11 0.00 0.00 31.00 31.23 1nbl h PRO 24 CO -0.04 -0.36 0.57 1.15 -0.21 0.00 0.00 178.00 179.11 1nbl h THR 25 N -0.57 0.75 0.37 -1.15 2.02 -1.73 0.43 112.91 113.03 1nbl h THR 25 Ca 0.02 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 1nbl h THR 25 Cb 0.58 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1nbl h THR 25 CO -0.16 0.09 -0.18 0.00 0.37 0.00 0.00 175.52 175.65 1nbl h GLY 27 N -0.86 0.00 0.00 0.00 0.00 -0.46 -0.67 103.07 101.08 1nbl h GLY 27 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1nbl h GLY 27 CO 0.08 0.00 -0.19 -2.22 0.00 0.00 0.00 176.54 174.21 1nbl h ILE 28 N 0.00 0.00 -0.59 2.60 2.04 -0.02 0.30 117.51 121.84 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 0.02 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.08 1nbl h ILE 28 CO 0.00 0.00 0.13 -0.07 0.00 0.00 0.00 178.15 178.21 1nbl h LEU 29 N -0.72 0.90 -0.31 1.44 3.38 -0.67 -0.70 115.31 118.63 1nbl h LEU 29 Ca 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1nbl h LEU 29 Cb 0.19 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1nbl h LEU 29 CO 0.00 0.91 -0.11 0.00 0.09 0.00 0.00 178.44 179.33 1nbl n ASP 31 N -0.83 -3.77 -4.99 0.00 9.92 -0.27 -4.64 116.55 111.97 1nbl n ASP 31 Ca 0.15 -0.64 -0.19 0.00 -0.53 0.00 0.00 54.79 53.58 1nbl n ASP 31 Cb 0.28 -4.80 0.01 0.00 -0.64 0.00 0.00 41.12 35.97 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 -1.82 0.00 -3.72 0.00 -5.35 -0.55 -4.38 119.36 103.54 1nbl n ILE 33 Ca 0.04 0.00 -0.24 0.00 -0.27 0.00 0.00 62.75 62.28 1nbl n ILE 33 Cb 0.59 0.00 -0.17 0.00 -1.74 0.00 0.00 39.64 38.31 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 -0.83 0.58 0.05 4.28 5.65 -1.26 -3.53 115.29 120.22 1nbl s HIS 34 Ca 0.00 -0.28 -0.02 0.00 0.25 0.00 0.00 55.06 55.02 1nbl s HIS 34 Cb 0.00 -0.78 -0.04 0.00 -1.18 0.00 0.00 32.58 30.57 1nbl s HIS 34 CO 0.00 -0.40 0.23 0.14 -0.65 0.00 0.00 174.74 174.06 1nbl s VAL 35 N 2.00 5.37 -0.57 0.89 -7.23 -0.41 -4.95 120.40 115.51 1nbl s VAL 35 Ca 0.03 -0.22 0.03 0.00 -1.81 0.00 0.00 61.98 60.01 1nbl s VAL 35 Cb -0.14 -3.60 0.40 0.00 0.56 0.00 0.00 36.38 33.60 1nbl s VAL 35 CO -0.06 0.20 1.43 0.35 -0.31 0.00 0.00 175.10 176.71 1nbl n THR 36 N 0.52 2.81 -1.88 5.32 -2.24 -1.26 -3.85 114.28 113.69 1nbl n THR 36 Ca -0.07 -4.62 -0.29 0.00 -2.27 0.00 0.00 64.05 56.80 1nbl n THR 36 Cb 0.52 -1.25 0.12 0.00 -2.10 0.00 0.00 70.33 67.62 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 -5.31 2.00 0.10 4.28 2.01 -1.26 -5.01 115.64 112.45 1nbl s THR 37 Ca 0.50 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 62.30 1nbl s THR 37 Cb 0.42 -2.98 -0.08 0.00 0.01 0.00 0.00 72.50 69.87 1nbl s THR 37 CO -0.24 0.00 1.69 0.71 -0.69 0.00 0.00 174.62 176.09 1nbl h THR 38 N -1.25 1.12 -3.20 -0.82 1.35 -2.05 -3.48 112.91 104.58 1nbl h THR 38 Ca -0.46 -0.34 -0.02 0.00 -0.55 0.00 0.00 66.41 65.04 1nbl h THR 38 Cb 1.30 0.97 -0.04 0.00 -1.73 0.00 0.00 68.15 68.66 1nbl h THR 38 CO 0.58 0.12 0.16 -0.89 -0.25 0.00 0.00 175.52 175.24 1nbl s THR 39 N -5.79 0.00 -0.07 6.82 2.01 -1.26 -5.14 115.64 112.22 1nbl s THR 39 Ca -0.13 -1.11 -0.30 0.00 0.31 0.00 0.00 61.69 60.46 1nbl s THR 39 Cb 0.08 -2.45 -0.05 0.00 0.01 0.00 0.00 72.50 70.09 1nbl s THR 39 CO 0.70 0.00 1.55 0.00 -0.69 0.00 0.00 174.62 176.18 1nbl s PRO 41 N 3.72 -0.30 0.34 0.00 0.04 -1.10 -4.66 135.00 133.03 1nbl s PRO 41 Ca 0.68 0.06 0.08 0.00 0.04 0.00 0.00 61.00 61.87 1nbl s PRO 41 Cb -0.31 -1.69 0.79 0.00 0.04 0.00 0.00 34.50 33.33 1nbl s PRO 41 CO 0.26 -3.13 1.83 0.77 0.04 0.00 0.00 177.00 176.77 1nbl h SER 42 N -2.16 0.71 0.80 6.66 0.02 -1.98 -2.06 113.55 115.54 1nbl h SER 42 Ca -0.48 0.06 -0.15 0.00 -0.84 0.00 0.00 61.79 60.38 1nbl h SER 42 Cb 1.30 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.75 1nbl h SER 42 CO 0.44 0.31 -0.73 -1.28 -1.14 0.00 0.00 176.83 174.43 1nbl h SER 43 N 0.72 0.00 -2.76 3.07 0.87 -1.99 -3.41 113.55 110.06 1nbl h SER 43 Ca 0.51 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 60.48 1nbl h SER 43 Cb 0.84 0.00 -0.39 0.00 -0.44 0.00 0.00 62.40 62.41 1nbl h SER 43 CO -0.28 0.73 -0.84 -1.00 -0.53 0.00 0.00 176.83 174.91 1nbl s HIS 44 N -3.27 1.38 0.26 2.24 3.76 -0.79 -4.62 115.29 114.26 1nbl s HIS 44 Ca -0.00 -2.20 -0.01 0.00 -0.15 0.00 0.00 55.06 52.69 1nbl s HIS 44 Cb 0.11 -1.29 0.35 0.00 1.11 0.00 0.00 32.58 32.86 1nbl s HIS 44 CO 0.78 -0.79 1.76 -1.00 -0.85 0.00 0.00 174.74 174.63 1nbl h PRO 45 N 6.32 0.75 -0.01 8.40 0.13 -1.30 -2.91 132.00 143.38 1nbl h PRO 45 Ca 0.13 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1nbl h PRO 45 Cb 0.92 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1nbl h PRO 45 CO 0.39 0.78 0.00 0.45 -0.23 0.00 0.00 178.00 179.39