#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 0.66 -0.01 3.14 0.01 -1.26 -1.11 113.70 115.13 1nbl s SER 2 Ca 0.00 0.36 0.07 0.00 1.31 0.00 0.00 55.95 57.68 1nbl s SER 2 Cb 0.00 0.31 -0.02 0.00 0.21 0.00 0.00 66.02 66.52 1nbl s SER 2 CO 0.00 -0.24 -0.22 0.00 0.41 0.00 0.00 173.24 173.20 1nbl h ARG 5 N 2.44 0.00 -1.96 0.00 9.65 -1.81 0.23 114.38 122.93 1nbl h ARG 5 Ca -0.48 0.00 0.23 0.00 -1.10 0.00 0.00 59.98 58.64 1nbl h ARG 5 Cb 1.20 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 29.67 1nbl h ARG 5 CO 0.63 0.03 0.63 0.54 2.80 0.00 0.00 179.97 184.60 1nbl s ASN 6 N -5.93 -0.15 0.48 -3.80 6.03 -1.26 -4.35 114.94 105.96 1nbl s ASN 6 Ca -0.04 -0.25 0.14 0.00 -1.03 0.00 0.00 52.86 51.68 1nbl s ASN 6 Cb 0.14 0.34 1.11 0.00 -3.03 0.00 0.00 41.25 39.81 1nbl s ASN 6 CO 0.53 -0.62 2.07 0.74 -2.03 0.00 0.00 177.10 177.79 1nbl h THR 7 N 2.00 1.07 -0.40 0.54 2.02 -1.92 0.18 112.91 116.41 1nbl h THR 7 Ca -0.25 -0.29 0.08 0.00 0.77 0.00 0.00 66.41 66.72 1nbl h THR 7 Cb 1.22 1.09 -0.07 0.00 -1.74 0.00 0.00 68.15 68.64 1nbl h THR 7 CO 0.27 0.09 -0.07 0.25 0.37 0.00 0.00 175.52 176.42 1nbl h LEU 8 N 0.06 -0.31 -0.40 2.58 6.46 -1.98 0.62 115.31 122.35 1nbl h LEU 8 Ca 0.02 0.11 -0.18 0.00 -0.12 0.00 0.00 57.88 57.71 1nbl h LEU 8 Cb 0.13 0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 40.28 1nbl h LEU 8 CO 0.01 -0.11 -0.61 0.00 -0.62 0.00 0.00 178.44 177.11 1nbl h ALA 9 N 1.38 0.57 -0.75 1.25 0.00 -1.06 0.42 119.26 121.07 1nbl h ALA 9 Ca 0.19 -0.54 0.04 0.00 0.00 0.00 0.00 54.91 54.60 1nbl h ALA 9 Cb 0.29 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1nbl h ALA 9 CO -0.39 0.70 0.47 -0.09 0.00 0.00 0.00 179.25 179.94 1nbl h ARG 10 N 0.48 0.87 0.33 0.00 2.43 -0.88 0.26 114.38 117.87 1nbl h ARG 10 Ca -0.00 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1nbl h ARG 10 Cb 1.19 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1nbl h ARG 10 CO 0.12 0.58 -0.16 -0.91 -1.51 0.00 0.00 179.97 178.09 1nbl h ASN 11 N 0.90 -0.37 -0.85 -3.80 2.35 -0.30 0.15 115.58 113.65 1nbl h ASN 11 Ca 0.31 -0.04 0.21 0.00 -0.55 0.00 0.00 56.30 56.23 1nbl h ASN 11 Cb 0.05 0.10 -0.13 0.00 0.05 0.00 0.00 38.32 38.39 1nbl h ASN 11 CO -0.13 -0.20 0.28 0.00 -1.65 0.00 0.00 177.43 175.73 1nbl h TYR 13 N 0.29 0.49 -0.28 0.00 5.03 -0.09 0.48 116.97 122.89 1nbl h TYR 13 Ca 0.52 -0.15 -0.05 0.00 2.58 0.00 0.00 58.73 61.64 1nbl h TYR 13 Cb 1.00 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 39.16 1nbl h TYR 13 CO -0.22 0.78 -0.02 -0.91 -1.32 0.00 0.00 178.16 176.47 1nbl h ASN 14 N 0.06 0.41 -0.16 -2.11 2.35 -0.53 -0.73 115.58 114.88 1nbl h ASN 14 Ca 0.03 -0.07 -0.14 0.00 -0.55 0.00 0.00 56.30 55.56 1nbl h ASN 14 Cb 0.70 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.97 1nbl h ASN 14 CO 0.04 0.49 -0.45 0.00 -1.65 0.00 0.00 177.43 175.87 1nbl h ALA 15 N 1.56 0.26 -0.25 -0.83 0.00 -0.74 -0.48 119.26 118.78 1nbl h ALA 15 Ca 0.09 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1nbl h ALA 15 Cb 0.32 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1nbl h ALA 15 CO 0.01 0.40 -0.08 0.00 0.00 0.00 0.00 179.25 179.59 1nbl h ARG 17 N 0.37 0.30 0.58 0.00 9.65 -1.07 -2.33 114.38 121.88 1nbl h ARG 17 Ca 0.08 -0.15 -0.03 0.00 -1.10 0.00 0.00 59.98 58.78 1nbl h ARG 17 Cb 0.38 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 1nbl h ARG 17 CO 0.02 0.67 -0.29 0.35 2.80 0.00 0.00 179.97 183.51 1nbl h PHE 18 N 0.25 -0.77 -2.98 2.20 3.04 -0.52 -3.46 116.94 114.70 1nbl h PHE 18 Ca 0.02 -0.02 -0.35 0.00 3.98 0.00 0.00 57.97 61.61 1nbl h PHE 18 Cb 0.84 0.26 0.19 0.00 2.56 0.00 0.00 35.95 39.80 1nbl h PHE 18 CO 0.02 -0.47 -0.02 0.25 -2.02 0.00 0.00 178.31 176.07 1nbl n THR 19 N -5.44 0.00 0.67 4.41 -2.24 0.25 -4.90 114.28 107.03 1nbl n THR 19 Ca -0.13 -0.23 -0.03 0.00 -2.27 0.00 0.00 64.05 61.40 1nbl n THR 19 Cb 0.33 -1.06 0.04 0.00 -2.10 0.00 0.00 70.33 67.54 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 -4.67 2.22 3.82 3.38 0.00 -1.26 -4.70 105.19 103.98 1nbl n GLY 20 Ca 0.13 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 0.47 2.60 0.00 -0.02 0.00 -1.17 -5.11 107.32 104.09 1nbl s GLY 21 Ca 0.09 0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.85 1nbl s GLY 21 CO 0.02 0.40 0.00 1.44 0.00 0.00 0.00 173.10 174.96 1nbl n SER 22 N 1.09 0.00 -0.02 1.64 7.64 -1.26 -4.21 113.62 118.51 1nbl n SER 22 Ca -0.06 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.79 1nbl n SER 22 Cb 0.51 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.70 1nbl n SER 22 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1nbl n GLN 23 N 0.00 0.07 0.05 1.43 0.00 -1.26 -4.17 117.38 113.50 1nbl n GLN 23 Ca 0.00 0.02 -0.12 0.00 -0.00 0.00 0.00 57.00 56.91 1nbl n GLN 23 Cb 0.00 -0.86 -0.05 0.00 0.00 0.00 0.00 30.24 29.33 1nbl n GLN 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.06 175.71 1nbl h PRO 24 N -0.05 -0.44 -0.92 3.69 0.11 -1.98 -1.72 132.00 130.68 1nbl h PRO 24 Ca -0.07 0.03 0.22 0.00 0.11 0.00 0.00 66.00 66.28 1nbl h PRO 24 Cb 1.09 0.10 -0.07 0.00 0.11 0.00 0.00 31.00 32.23 1nbl h PRO 24 CO -0.03 -0.30 0.61 1.15 -0.21 0.00 0.00 178.00 179.23 1nbl h THR 25 N -0.46 0.64 0.31 -1.15 2.02 -1.95 0.48 112.91 112.80 1nbl h THR 25 Ca 0.07 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 1nbl h THR 25 Cb 0.56 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1nbl h THR 25 CO -0.29 0.07 -0.15 0.00 0.37 0.00 0.00 175.52 175.52 1nbl h GLY 27 N -0.74 0.00 0.02 0.00 0.00 -0.31 -0.25 103.07 101.79 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 -0.01 -2.22 0.00 0.00 0.00 176.54 174.38 1nbl h ILE 28 N 0.00 0.00 -0.68 2.60 1.08 0.39 0.40 117.51 121.30 1nbl h ILE 28 Ca 0.11 -0.32 -0.06 0.00 -0.39 0.00 0.00 64.86 64.20 1nbl h ILE 28 Cb 0.79 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.51 1nbl h ILE 28 CO -0.00 0.00 0.21 -0.07 -0.69 0.00 0.00 178.15 177.60 1nbl h LEU 29 N -0.35 1.00 -0.38 1.44 3.38 -0.67 -0.34 115.31 119.39 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 0.02 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1nbl h LEU 29 CO 0.00 0.94 -0.11 0.00 0.09 0.00 0.00 178.44 179.37 1nbl n ASP 31 N -0.72 -3.81 -4.94 0.00 9.92 -0.14 -4.59 116.55 112.28 1nbl n ASP 31 Ca 0.16 -0.63 -0.27 0.00 -0.53 0.00 0.00 54.79 53.52 1nbl n ASP 31 Cb 0.29 -4.86 -0.03 0.00 -0.64 0.00 0.00 41.12 35.88 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 -0.54 0.00 -3.68 0.00 -5.35 -0.58 -4.34 119.36 104.87 1nbl n ILE 33 Ca -0.06 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.20 1nbl n ILE 33 Cb 0.54 0.00 -0.18 0.00 -1.74 0.00 0.00 39.64 38.26 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 0.24 0.24 0.05 4.28 5.65 -1.26 -3.62 115.29 120.87 1nbl s HIS 34 Ca 0.00 0.03 0.00 0.00 0.25 0.00 0.00 55.06 55.34 1nbl s HIS 34 Cb 0.00 -0.60 -0.04 0.00 -1.18 0.00 0.00 32.58 30.76 1nbl s HIS 34 CO 0.00 -0.29 0.18 0.14 -0.65 0.00 0.00 174.74 174.12 1nbl s VAL 35 N 2.11 5.24 -0.57 0.89 -7.23 -0.27 -4.95 120.40 115.62 1nbl s VAL 35 Ca 0.04 -0.41 0.03 0.00 -1.81 0.00 0.00 61.98 59.83 1nbl s VAL 35 Cb -0.13 -3.53 0.40 0.00 0.56 0.00 0.00 36.38 33.68 1nbl s VAL 35 CO -0.05 0.17 1.47 0.35 -0.31 0.00 0.00 175.10 176.73 1nbl n THR 36 N 0.45 2.85 -1.93 5.32 -2.24 -1.26 -3.87 114.28 113.60 1nbl n THR 36 Ca -0.07 -4.57 -0.29 0.00 -2.27 0.00 0.00 64.05 56.86 1nbl n THR 36 Cb 0.51 -1.24 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 -5.27 2.01 0.11 4.28 2.01 -1.26 -5.02 115.64 112.51 1nbl s THR 37 Ca 0.50 -0.02 -0.16 0.00 0.31 0.00 0.00 61.69 62.32 1nbl s THR 37 Cb 0.42 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.90 1nbl s THR 37 CO -0.24 0.00 1.58 0.74 -0.69 0.00 0.00 174.62 176.01 1nbl h THR 38 N -1.25 1.25 -3.39 -0.82 2.02 -2.05 -3.48 112.91 105.19 1nbl h THR 38 Ca -0.45 -0.89 -0.06 0.00 0.77 0.00 0.00 66.41 65.77 1nbl h THR 38 Cb 1.29 1.14 -0.05 0.00 -1.74 0.00 0.00 68.15 68.80 1nbl h THR 38 CO 0.55 0.30 0.07 -0.89 0.37 0.00 0.00 175.52 175.92 1nbl s THR 39 N -5.11 0.00 -0.10 3.16 2.01 -1.26 -5.13 115.64 109.22 1nbl s THR 39 Ca -0.13 -1.22 -0.29 0.00 0.31 0.00 0.00 61.69 60.35 1nbl s THR 39 Cb 0.09 -2.48 -0.05 0.00 0.01 0.00 0.00 72.50 70.07 1nbl s THR 39 CO 0.77 0.00 1.70 0.00 -0.69 0.00 0.00 174.62 176.40 1nbl s PRO 41 N 4.36 0.27 0.40 0.00 0.04 -1.17 -4.67 135.00 134.24 1nbl s PRO 41 Ca 0.76 0.20 0.12 0.00 0.04 0.00 0.00 61.00 62.11 1nbl s PRO 41 Cb -0.32 -1.75 0.94 0.00 0.04 0.00 0.00 34.50 33.41 1nbl s PRO 41 CO 0.31 -2.77 1.94 0.77 0.04 0.00 0.00 177.00 177.29 1nbl h SER 42 N -1.91 0.48 0.02 6.66 0.02 -1.95 -1.80 113.55 115.07 1nbl h SER 42 Ca -0.50 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.39 1nbl h SER 42 Cb 1.31 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 1nbl h SER 42 CO 0.52 0.28 -0.22 0.28 -1.14 0.00 0.00 176.83 176.55 1nbl h SER 43 N 0.53 0.34 -1.91 3.07 0.02 -1.97 -3.38 113.55 110.24 1nbl h SER 43 Ca 0.33 -0.10 -0.46 0.00 -0.84 0.00 0.00 61.79 60.72 1nbl h SER 43 Cb 0.58 -0.09 -0.32 0.00 0.14 0.00 0.00 62.40 62.72 1nbl h SER 43 CO -0.11 0.57 -0.85 1.41 -1.14 0.00 0.00 176.83 176.72 1nbl n HIS 44 N -4.16 -1.74 0.10 3.45 8.25 -0.83 -4.72 115.22 115.58 1nbl n HIS 44 Ca -0.00 -2.77 0.00 0.00 -0.26 0.00 0.00 57.72 54.69 1nbl n HIS 44 Cb 0.36 0.58 0.31 0.00 1.12 0.00 0.00 29.99 32.36 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 5.30 0.25 -0.01 -0.41 0.13 -0.73 -3.09 132.00 133.45 1nbl h PRO 45 Ca 0.19 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1nbl h PRO 45 Cb 0.96 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1nbl h PRO 45 CO 0.28 0.49 0.00 0.45 -0.23 0.00 0.00 178.00 178.99