#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 0.08 0.00 3.14 0.01 -1.26 -0.79 113.70 114.88 1nbl s SER 2 Ca 0.00 0.04 0.02 0.00 1.31 0.00 0.00 55.95 57.32 1nbl s SER 2 Cb 0.00 -0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.15 1nbl s SER 2 CO 0.00 -0.13 -0.07 0.00 0.41 0.00 0.00 173.24 173.45 1nbl h ARG 5 N 2.68 0.00 -3.25 0.00 -0.00 -1.82 0.24 114.38 112.23 1nbl h ARG 5 Ca -0.47 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.51 1nbl h ARG 5 Cb 1.21 0.00 -0.09 0.00 -0.00 0.00 0.00 29.97 31.09 1nbl h ARG 5 CO 0.57 0.05 0.07 0.54 -0.00 0.00 0.00 179.97 181.20 1nbl s ASN 6 N -6.49 -0.28 0.49 0.08 4.22 -1.26 -4.37 114.94 107.33 1nbl s ASN 6 Ca -0.04 -0.49 0.17 0.00 -2.14 0.00 0.00 52.86 50.36 1nbl s ASN 6 Cb 0.15 0.61 1.19 0.00 1.28 0.00 0.00 41.25 44.48 1nbl s ASN 6 CO 0.60 -1.10 2.08 0.74 -2.04 0.00 0.00 177.10 177.38 1nbl h THR 7 N 2.15 1.00 -0.35 0.54 2.02 -1.91 0.19 112.91 116.54 1nbl h THR 7 Ca -0.27 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 66.57 1nbl h THR 7 Cb 1.26 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.84 1nbl h THR 7 CO 0.35 0.10 0.22 0.25 0.37 0.00 0.00 175.52 176.81 1nbl h LEU 8 N 0.00 0.38 -0.36 2.58 6.46 -1.98 0.66 115.31 123.06 1nbl h LEU 8 Ca -0.00 -0.01 -0.18 0.00 -0.12 0.00 0.00 57.88 57.57 1nbl h LEU 8 Cb 0.18 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.02 1nbl h LEU 8 CO 0.01 0.28 -0.61 0.00 -0.62 0.00 0.00 178.44 177.50 1nbl h ALA 9 N 1.14 0.53 -0.88 1.25 0.00 -1.18 0.04 119.26 120.17 1nbl h ALA 9 Ca 0.13 -0.54 0.06 0.00 0.00 0.00 0.00 54.91 54.57 1nbl h ALA 9 Cb -0.03 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 1nbl h ALA 9 CO -0.04 0.69 0.55 -0.09 0.00 0.00 0.00 179.25 180.36 1nbl h ARG 10 N 0.53 0.98 -0.10 0.00 2.43 -0.78 0.14 114.38 117.58 1nbl h ARG 10 Ca -0.00 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1nbl h ARG 10 Cb 1.19 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1nbl h ARG 10 CO 0.12 0.65 0.05 -0.91 -1.51 0.00 0.00 179.97 178.37 1nbl h ASN 11 N 1.01 0.14 -0.53 -3.80 2.35 -0.17 0.28 115.58 114.85 1nbl h ASN 11 Ca 0.38 -0.12 0.11 0.00 -0.55 0.00 0.00 56.30 56.12 1nbl h ASN 11 Cb 0.16 -0.04 -0.10 0.00 0.05 0.00 0.00 38.32 38.39 1nbl h ASN 11 CO -0.17 0.22 -0.17 0.00 -1.65 0.00 0.00 177.43 175.66 1nbl h TYR 13 N -0.04 1.08 -0.01 0.00 5.03 -0.23 0.47 116.97 123.27 1nbl h TYR 13 Ca 0.25 -0.01 -0.12 0.00 2.58 0.00 0.00 58.73 61.43 1nbl h TYR 13 Cb 0.43 -0.35 -0.02 0.00 1.55 0.00 0.00 36.73 38.34 1nbl h TYR 13 CO -0.48 0.74 -0.56 -0.91 -1.32 0.00 0.00 178.16 175.63 1nbl h ASN 14 N 1.12 0.04 0.02 -2.11 2.35 -0.21 -1.67 115.58 115.12 1nbl h ASN 14 Ca 0.29 -0.02 -0.25 0.00 -0.55 0.00 0.00 56.30 55.76 1nbl h ASN 14 Cb -0.02 -0.01 0.02 0.00 0.05 0.00 0.00 38.32 38.36 1nbl h ASN 14 CO -0.05 0.59 -1.00 0.00 -1.65 0.00 0.00 177.43 175.32 1nbl h ALA 15 N 1.41 0.10 -0.38 -0.83 0.00 -0.19 0.14 119.26 119.52 1nbl h ALA 15 Ca -0.00 -0.69 -0.07 0.00 0.00 0.00 0.00 54.91 54.15 1nbl h ALA 15 Cb 0.99 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1nbl h ALA 15 CO 0.07 0.63 -0.04 0.00 0.00 0.00 0.00 179.25 179.91 1nbl h ARG 17 N 0.58 0.09 0.60 0.00 9.65 -1.21 -1.07 114.38 123.01 1nbl h ARG 17 Ca 0.11 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.93 1nbl h ARG 17 Cb 0.43 -0.01 0.01 0.00 -1.39 0.00 0.00 29.97 29.01 1nbl h ARG 17 CO 0.02 0.40 -0.29 0.35 2.80 0.00 0.00 179.97 183.25 1nbl h PHE 18 N 0.08 -0.75 -3.22 2.20 3.04 -0.49 -3.46 116.94 114.34 1nbl h PHE 18 Ca 0.01 -0.02 -0.40 0.00 3.98 0.00 0.00 57.97 61.55 1nbl h PHE 18 Cb 0.59 0.25 0.21 0.00 2.56 0.00 0.00 35.95 39.56 1nbl h PHE 18 CO 0.00 -0.47 -0.02 0.95 -2.02 0.00 0.00 178.31 176.76 1nbl s THR 19 N -6.07 1.37 -0.23 4.41 -4.23 0.15 -4.91 115.64 106.13 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 0.15 0.00 1.34 0.00 0.00 72.50 71.79 1nbl s THR 19 CO 0.62 0.00 1.11 0.61 -0.54 0.00 0.00 174.62 176.43 1nbl n GLY 20 N 0.47 2.39 3.56 3.99 0.00 -1.26 -4.70 105.19 109.64 1nbl n GLY 20 Ca 0.13 -0.22 -0.40 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 0.40 1.92 1.05 -0.02 0.00 -1.23 -5.09 107.32 104.35 1nbl s GLY 21 Ca 0.12 -1.15 -0.11 0.00 0.00 0.00 0.00 44.72 43.58 1nbl s GLY 21 CO 0.02 0.84 1.08 -0.56 0.00 0.00 0.00 173.10 174.48 1nbl s SER 22 N 1.72 1.85 0.22 1.64 0.01 -1.26 -4.05 113.70 113.83 1nbl s SER 22 Ca 0.10 1.84 -0.08 0.00 1.31 0.00 0.00 55.95 59.12 1nbl s SER 22 Cb -0.16 -2.44 0.18 0.00 0.21 0.00 0.00 66.02 63.81 1nbl s SER 22 CO 0.11 -3.71 1.85 -0.61 0.41 0.00 0.00 173.24 171.29 1nbl h GLN 23 N -2.29 1.15 0.26 12.44 4.15 -1.96 0.11 115.11 128.96 1nbl h GLN 23 Ca -0.53 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 58.77 1nbl h GLN 23 Cb 1.30 -0.23 -0.04 0.00 0.21 0.00 0.00 27.48 28.72 1nbl h GLN 23 CO 0.46 0.82 -0.49 -1.35 -1.93 0.00 0.00 178.83 176.34 1nbl h PRO 24 N 1.15 -0.78 -0.95 -2.39 0.11 -1.99 -1.76 132.00 125.40 1nbl h PRO 24 Ca 0.30 0.05 0.21 0.00 0.11 0.00 0.00 66.00 66.67 1nbl h PRO 24 Cb -0.01 0.18 -0.08 0.00 0.11 0.00 0.00 31.00 31.20 1nbl h PRO 24 CO -0.05 -0.52 0.62 1.15 -0.21 0.00 0.00 178.00 178.99 1nbl h THR 25 N -0.81 0.66 0.66 -1.15 2.02 -1.66 0.16 112.91 112.78 1nbl h THR 25 Ca -0.03 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1nbl h THR 25 Cb 0.76 0.14 0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1nbl h THR 25 CO -0.19 0.09 -0.32 0.00 0.37 0.00 0.00 175.52 175.47 1nbl h GLY 27 N -0.98 0.77 0.29 0.00 0.00 0.00 -0.79 103.07 102.36 1nbl h GLY 27 Ca -0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1nbl h GLY 27 CO 0.15 0.07 -0.12 -2.22 0.00 0.00 0.00 176.54 174.42 1nbl h ILE 28 N 0.46 0.27 -0.24 2.60 5.03 -0.69 0.51 117.51 125.45 1nbl h ILE 28 Ca 0.37 -0.88 -0.07 0.00 -0.12 0.00 0.00 64.86 64.17 1nbl h ILE 28 Cb 0.80 0.46 -0.01 0.00 -3.03 0.00 0.00 36.82 35.04 1nbl h ILE 28 CO -0.13 0.07 -0.11 -0.07 -0.68 0.00 0.00 178.15 177.24 1nbl h LEU 29 N -1.04 0.51 0.00 1.44 3.38 -0.40 -0.19 115.31 119.00 1nbl h LEU 29 Ca -0.03 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1nbl h LEU 29 Cb 0.37 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1nbl h LEU 29 CO 0.05 0.80 0.00 0.00 0.09 0.00 0.00 178.44 179.38 1nbl n ASP 31 N -1.12 -5.63 -4.29 0.00 8.00 -0.09 -4.77 116.55 108.64 1nbl n ASP 31 Ca 0.17 -0.03 -0.29 0.00 0.71 0.00 0.00 54.79 55.34 1nbl n ASP 31 Cb 0.14 -4.68 0.20 0.00 -0.02 0.00 0.00 41.12 36.76 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 -4.32 0.00 -3.72 0.00 -5.35 -0.27 -4.48 119.36 101.21 1nbl n ILE 33 Ca 0.09 0.00 -0.26 0.00 -0.27 0.00 0.00 62.75 62.31 1nbl n ILE 33 Cb 0.59 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 -0.51 0.79 0.08 4.28 5.65 -1.26 -3.38 115.29 120.94 1nbl s HIS 34 Ca 0.00 -0.58 0.01 0.00 0.25 0.00 0.00 55.06 54.74 1nbl s HIS 34 Cb 0.00 -0.91 -0.04 0.00 -1.18 0.00 0.00 32.58 30.45 1nbl s HIS 34 CO 0.00 -0.52 0.20 0.14 -0.65 0.00 0.00 174.74 173.92 1nbl s VAL 35 N 1.94 5.26 -0.48 0.89 -7.23 0.03 -4.96 120.40 115.84 1nbl s VAL 35 Ca 0.01 -0.49 0.04 0.00 -1.81 0.00 0.00 61.98 59.73 1nbl s VAL 35 Cb -0.16 -3.58 0.41 0.00 0.56 0.00 0.00 36.38 33.61 1nbl s VAL 35 CO -0.07 0.10 1.20 0.35 -0.31 0.00 0.00 175.10 176.37 1nbl n THR 36 N 0.18 2.50 -0.58 5.32 -2.24 -1.26 -3.49 114.28 114.72 1nbl n THR 36 Ca -0.06 -4.86 -0.19 0.00 -2.27 0.00 0.00 64.05 56.67 1nbl n THR 36 Cb 0.52 -1.26 0.17 0.00 -2.10 0.00 0.00 70.33 67.65 1nbl n THR 36 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1nbl n THR 37 N -0.49 0.00 0.12 4.28 -2.24 -1.26 -4.97 114.28 109.72 1nbl n THR 37 Ca 0.41 -0.19 -0.16 0.00 -2.27 0.00 0.00 64.05 61.84 1nbl n THR 37 Cb 0.62 -0.95 -0.09 0.00 -2.10 0.00 0.00 70.33 67.82 1nbl n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nbl h THR 38 N -2.58 0.07 -1.84 4.28 1.03 -2.06 -3.49 112.91 108.32 1nbl h THR 38 Ca -0.26 0.00 0.27 0.00 -0.01 0.00 0.00 66.41 66.41 1nbl h THR 38 Cb 0.81 0.07 -0.10 0.00 -1.07 0.00 0.00 68.15 67.86 1nbl h THR 38 CO 0.16 0.00 0.71 -0.89 -0.01 0.00 0.00 175.52 175.49 1nbl s THR 39 N -5.84 0.00 -0.18 0.00 2.01 -1.26 -5.14 115.64 105.24 1nbl s THR 39 Ca -0.16 -0.39 -0.35 0.00 0.31 0.00 0.00 61.69 61.09 1nbl s THR 39 Cb 0.07 -2.11 -0.12 0.00 0.01 0.00 0.00 72.50 70.35 1nbl s THR 39 CO 0.62 0.00 1.92 0.00 -0.69 0.00 0.00 174.62 176.47 1nbl s PRO 41 N 4.42 0.54 0.37 0.00 0.04 -1.12 -4.64 135.00 134.62 1nbl s PRO 41 Ca 0.97 0.16 0.11 0.00 0.04 0.00 0.00 61.00 62.28 1nbl s PRO 41 Cb -0.78 -1.78 0.88 0.00 0.04 0.00 0.00 34.50 32.86 1nbl s PRO 41 CO 0.54 -2.58 1.88 0.77 0.04 0.00 0.00 177.00 177.65 1nbl h SER 42 N -1.77 0.58 0.53 6.66 0.02 -1.96 -1.60 113.55 116.02 1nbl h SER 42 Ca -0.49 0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.38 1nbl h SER 42 Cb 1.31 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.76 1nbl h SER 42 CO 0.53 0.30 -0.51 0.77 -1.14 0.00 0.00 176.83 176.78 1nbl h SER 43 N 0.62 0.00 -1.78 3.07 4.64 -1.97 -3.39 113.55 114.74 1nbl h SER 43 Ca 0.43 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 61.35 1nbl h SER 43 Cb 0.76 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.56 1nbl h SER 43 CO -0.18 0.51 -0.77 1.41 -0.87 0.00 0.00 176.83 176.93 1nbl n HIS 44 N -3.90 -2.18 0.15 4.77 8.25 -0.81 -4.63 115.22 116.87 1nbl n HIS 44 Ca -0.01 -2.48 0.01 0.00 -0.26 0.00 0.00 57.72 54.98 1nbl n HIS 44 Cb 0.53 0.79 0.19 0.00 1.12 0.00 0.00 29.99 32.62 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 5.35 0.00 0.00 -0.41 0.13 -0.57 -2.97 132.00 133.53 1nbl h PRO 45 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1nbl h PRO 45 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1nbl h PRO 45 CO 0.22 0.55 0.00 0.45 -0.23 0.00 0.00 178.00 178.99