#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 1.91 0.02 3.14 0.01 -1.26 -1.30 113.70 116.22 1nbl s SER 2 Ca 0.00 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 56.05 1nbl s SER 2 Cb 0.00 0.32 -0.04 0.00 0.21 0.00 0.00 66.02 66.51 1nbl s SER 2 CO 0.00 -0.35 0.12 0.00 0.41 0.00 0.00 173.24 173.42 1nbl n ARG 5 N 0.81 0.64 -3.61 0.00 1.85 -1.25 -0.12 116.66 114.97 1nbl n ARG 5 Ca -0.11 0.02 -0.07 0.00 -1.00 0.00 0.00 57.85 56.69 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 -2.27 -0.33 0.59 2.89 6.03 -1.26 -4.58 114.94 116.01 1nbl s ASN 6 Ca 0.34 -0.19 0.33 0.00 -1.03 0.00 0.00 52.86 52.31 1nbl s ASN 6 Cb 0.19 0.49 1.88 0.00 -3.03 0.00 0.00 41.25 40.78 1nbl s ASN 6 CO 0.36 -0.85 2.24 0.74 -2.03 0.00 0.00 177.10 177.56 1nbl h THR 7 N 2.00 0.38 -0.17 0.54 2.02 -1.89 0.22 112.91 116.02 1nbl h THR 7 Ca -0.24 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 1nbl h THR 7 Cb 1.25 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 1nbl h THR 7 CO 0.30 0.03 0.10 0.25 0.37 0.00 0.00 175.52 176.56 1nbl h LEU 8 N 0.00 0.20 -0.24 2.58 6.46 -1.98 -0.34 115.31 121.99 1nbl h LEU 8 Ca -0.00 -0.06 -0.19 0.00 -0.12 0.00 0.00 57.88 57.51 1nbl h LEU 8 Cb 0.10 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 39.98 1nbl h LEU 8 CO 0.00 0.20 -0.58 0.00 -0.62 0.00 0.00 178.44 177.45 1nbl h ALA 9 N 1.01 0.39 -0.84 1.25 0.00 -1.02 -0.21 119.26 119.84 1nbl h ALA 9 Ca 0.06 -0.53 0.18 0.00 0.00 0.00 0.00 54.91 54.62 1nbl h ALA 9 Cb 0.04 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 17.67 1nbl h ALA 9 CO -0.01 0.63 0.37 -0.09 0.00 0.00 0.00 179.25 180.15 1nbl h ARG 10 N 0.57 0.46 0.15 0.00 9.65 -0.81 0.43 114.38 124.83 1nbl h ARG 10 Ca -0.01 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 1nbl h ARG 10 Cb 1.20 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.67 1nbl h ARG 10 CO 0.13 0.30 -0.07 -0.91 2.80 0.00 0.00 179.97 182.22 1nbl h ASN 11 N 0.47 -0.17 -0.89 -3.80 2.35 -0.45 0.77 115.58 113.86 1nbl h ASN 11 Ca 0.49 -0.30 0.23 0.00 -0.55 0.00 0.00 56.30 56.17 1nbl h ASN 11 Cb 0.81 0.04 -0.13 0.00 0.05 0.00 0.00 38.32 39.09 1nbl h ASN 11 CO -0.45 0.23 0.32 0.00 -1.65 0.00 0.00 177.43 175.88 1nbl h TYR 13 N 0.29 0.47 -0.12 0.00 5.03 0.09 0.43 116.97 123.16 1nbl h TYR 13 Ca 0.56 -0.17 -0.06 0.00 2.58 0.00 0.00 58.73 61.64 1nbl h TYR 13 Cb 1.12 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 39.30 1nbl h TYR 13 CO -0.20 0.86 -0.18 -0.91 -1.32 0.00 0.00 178.16 176.41 1nbl h ASN 14 N -0.05 0.19 -0.04 -2.11 2.35 -0.67 -0.60 115.58 114.65 1nbl h ASN 14 Ca 0.00 -0.04 -0.18 0.00 -0.55 0.00 0.00 56.30 55.53 1nbl h ASN 14 Cb 0.84 -0.05 0.01 0.00 0.05 0.00 0.00 38.32 39.17 1nbl h ASN 14 CO 0.05 0.39 -0.70 0.00 -1.65 0.00 0.00 177.43 175.52 1nbl h ALA 15 N 1.63 0.13 -0.31 -0.83 0.00 -0.72 -0.41 119.26 118.76 1nbl h ALA 15 Ca 0.03 -0.59 -0.05 0.00 0.00 0.00 0.00 54.91 54.31 1nbl h ALA 15 Cb 0.43 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1nbl h ALA 15 CO 0.03 0.46 -0.01 0.00 0.00 0.00 0.00 179.25 179.73 1nbl h ARG 17 N 0.46 0.09 0.56 0.00 9.65 -1.06 -1.76 114.38 122.33 1nbl h ARG 17 Ca 0.10 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.91 1nbl h ARG 17 Cb 0.32 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 1nbl h ARG 17 CO 0.01 0.52 -0.29 0.35 2.80 0.00 0.00 179.97 183.36 1nbl h PHE 18 N 0.08 -0.77 -3.19 2.20 3.04 -0.41 -3.46 116.94 114.43 1nbl h PHE 18 Ca 0.00 -0.01 -0.39 0.00 3.98 0.00 0.00 57.97 61.55 1nbl h PHE 18 Cb 0.82 0.26 0.21 0.00 2.56 0.00 0.00 35.95 39.80 1nbl h PHE 18 CO 0.01 -0.47 -0.03 0.95 -2.02 0.00 0.00 178.31 176.75 1nbl s THR 19 N -6.07 1.32 -0.26 4.41 -4.23 0.26 -4.91 115.64 106.17 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 -2.21 0.12 0.00 1.34 0.00 0.00 72.50 71.78 1nbl s THR 19 CO 0.63 0.00 1.05 0.61 -0.54 0.00 0.00 174.62 176.37 1nbl n GLY 20 N 0.59 2.26 3.54 3.99 0.00 -1.26 -4.72 105.19 109.59 1nbl n GLY 20 Ca 0.13 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 0.44 1.92 1.16 -0.02 0.00 -1.21 -5.09 107.32 104.53 1nbl s GLY 21 Ca 0.09 -1.28 -0.13 0.00 0.00 0.00 0.00 44.72 43.41 1nbl s GLY 21 CO 0.02 0.93 0.95 1.44 0.00 0.00 0.00 173.10 176.44 1nbl n SER 22 N 5.30 -1.68 -0.22 1.64 7.64 -1.26 -3.97 113.62 121.06 1nbl n SER 22 Ca -0.10 -0.13 -0.06 0.00 1.01 0.00 0.00 58.87 59.59 1nbl n SER 22 Cb 0.49 -1.25 0.04 0.00 -1.01 0.00 0.00 64.21 62.48 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 -2.62 0.82 0.09 1.43 -0.00 -1.97 0.38 115.11 113.24 1nbl h GLN 23 Ca -0.60 -0.06 0.02 0.00 -0.00 0.00 0.00 58.65 58.01 1nbl h GLN 23 Cb 1.33 -0.18 -0.04 0.00 0.00 0.00 0.00 27.48 28.59 1nbl h GLN 23 CO 0.48 0.55 -0.28 -1.35 0.00 0.00 0.00 178.83 178.23 1nbl h PRO 24 N 0.83 -0.46 -0.90 -2.39 0.11 -1.98 -1.51 132.00 125.71 1nbl h PRO 24 Ca 0.22 0.03 0.18 0.00 0.11 0.00 0.00 66.00 66.55 1nbl h PRO 24 Cb -0.07 0.10 -0.07 0.00 0.11 0.00 0.00 31.00 31.07 1nbl h PRO 24 CO -0.05 -0.31 0.59 1.15 -0.21 0.00 0.00 178.00 179.17 1nbl h THR 25 N -0.48 0.74 0.43 -1.15 2.02 -1.72 0.42 112.91 113.17 1nbl h THR 25 Ca 0.04 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1nbl h THR 25 Cb 0.52 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1nbl h THR 25 CO -0.18 0.10 -0.21 0.00 0.37 0.00 0.00 175.52 175.60 1nbl h GLY 27 N -0.90 0.00 0.00 0.00 0.00 -0.48 -0.32 103.07 101.37 1nbl h GLY 27 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1nbl h GLY 27 CO 0.10 0.00 -0.16 -2.22 0.00 0.00 0.00 176.54 174.26 1nbl h ILE 28 N 0.00 0.00 -0.61 2.60 2.04 -0.02 0.32 117.51 121.84 1nbl h ILE 28 Ca 0.00 -0.67 -0.05 0.00 1.00 0.00 0.00 64.86 65.14 1nbl h ILE 28 Cb 0.18 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.23 1nbl h ILE 28 CO 0.00 0.00 0.19 -0.07 0.00 0.00 0.00 178.15 178.27 1nbl h LEU 29 N -0.67 0.90 -0.21 1.44 3.38 -0.61 -0.61 115.31 118.93 1nbl h LEU 29 Ca 0.00 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1nbl h LEU 29 Cb 0.16 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1nbl h LEU 29 CO 0.00 0.87 -0.12 0.00 0.09 0.00 0.00 178.44 179.28 1nbl n ASP 31 N -1.01 -2.35 -4.82 0.00 8.00 -0.24 -4.69 116.55 111.44 1nbl n ASP 31 Ca 0.14 -0.69 -0.36 0.00 0.71 0.00 0.00 54.79 54.59 1nbl n ASP 31 Cb 0.28 -4.70 -0.07 0.00 -0.02 0.00 0.00 41.12 36.62 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 1.92 0.00 -3.66 0.00 -5.35 -0.53 -4.23 119.36 107.51 1nbl n ILE 33 Ca -0.19 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.09 1nbl n ILE 33 Cb 0.54 -0.57 -0.17 0.00 -1.74 0.00 0.00 39.64 37.70 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 2.30 0.04 -0.02 4.28 5.65 -1.26 -3.81 115.29 122.47 1nbl s HIS 34 Ca 0.00 0.23 -0.01 0.00 0.25 0.00 0.00 55.06 55.53 1nbl s HIS 34 Cb 0.00 -0.48 -0.04 0.00 -1.18 0.00 0.00 32.58 30.88 1nbl s HIS 34 CO 0.00 -0.25 0.06 0.14 -0.65 0.00 0.00 174.74 174.04 1nbl s VAL 35 N 2.18 4.61 -0.67 0.89 -7.23 -0.42 -4.95 120.40 114.81 1nbl s VAL 35 Ca 0.04 -0.39 0.01 0.00 -1.81 0.00 0.00 61.98 59.84 1nbl s VAL 35 Cb -0.13 -3.07 0.38 0.00 0.56 0.00 0.00 36.38 34.12 1nbl s VAL 35 CO -0.04 0.41 1.60 0.35 -0.31 0.00 0.00 175.10 177.10 1nbl n THR 36 N 1.40 3.16 -1.61 5.32 -2.24 -1.26 -2.58 114.28 116.47 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 0.19 0.00 -2.10 0.00 0.00 70.33 67.68 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 -5.23 1.87 0.11 4.28 2.01 -1.26 -5.00 115.64 112.43 1nbl s THR 37 Ca 0.50 0.00 -0.23 0.00 0.31 0.00 0.00 61.69 62.27 1nbl s THR 37 Cb 0.41 -2.80 -0.08 0.00 0.01 0.00 0.00 72.50 70.03 1nbl s THR 37 CO -0.30 0.00 1.70 0.74 -0.69 0.00 0.00 174.62 176.07 1nbl h THR 38 N -1.91 0.76 -3.15 -0.82 2.02 -2.05 -3.48 112.91 104.28 1nbl h THR 38 Ca -0.45 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 1nbl h THR 38 Cb 1.27 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 1nbl h THR 38 CO 0.40 0.00 0.19 -0.89 0.37 0.00 0.00 175.52 175.60 1nbl s THR 39 N -6.17 0.00 -0.29 3.16 2.01 -1.26 -5.14 115.64 107.95 1nbl s THR 39 Ca -0.14 -1.08 -0.44 0.00 0.31 0.00 0.00 61.69 60.34 1nbl s THR 39 Cb 0.08 -2.59 -0.20 0.00 0.01 0.00 0.00 72.50 69.80 1nbl s THR 39 CO 0.67 0.00 1.38 0.00 -0.69 0.00 0.00 174.62 175.98 1nbl s PRO 41 N 1.77 0.85 0.40 0.00 0.04 -1.19 -4.85 135.00 132.03 1nbl s PRO 41 Ca 0.99 0.04 0.06 0.00 0.04 0.00 0.00 61.00 62.13 1nbl s PRO 41 Cb -1.40 -1.83 0.81 0.00 0.04 0.00 0.00 34.50 32.12 1nbl s PRO 41 CO 0.72 -2.34 2.05 0.77 0.04 0.00 0.00 177.00 178.23 1nbl h SER 42 N -1.60 0.53 0.41 6.66 0.02 -1.97 -2.69 113.55 114.92 1nbl h SER 42 Ca -0.47 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.40 1nbl h SER 42 Cb 1.30 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 1nbl h SER 42 CO 0.53 0.39 -0.30 0.77 -1.14 0.00 0.00 176.83 177.08 1nbl h SER 43 N 0.63 0.00 -2.02 3.07 4.64 -1.99 -3.39 113.55 114.49 1nbl h SER 43 Ca 0.17 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 61.08 1nbl h SER 43 Cb -0.07 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 61.70 1nbl h SER 43 CO -0.04 0.30 -0.74 -1.00 -0.87 0.00 0.00 176.83 174.49 1nbl s HIS 44 N -4.16 -0.05 0.17 4.77 3.76 -1.03 -4.72 115.29 114.03 1nbl s HIS 44 Ca -0.03 -1.15 0.05 0.00 -0.15 0.00 0.00 55.06 53.78 1nbl s HIS 44 Cb 0.14 -0.49 0.01 0.00 1.11 0.00 0.00 32.58 33.34 1nbl s HIS 44 CO 0.69 -0.95 1.39 -1.00 -0.85 0.00 0.00 174.74 174.02 1nbl h PRO 45 N 6.66 0.12 -0.01 8.40 0.13 -1.31 -3.14 132.00 142.86 1nbl h PRO 45 Ca 0.09 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1nbl h PRO 45 Cb 1.03 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1nbl h PRO 45 CO 0.22 0.91 0.00 0.45 -0.23 0.00 0.00 178.00 179.35