#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 0.78 -0.01 3.14 0.15 -1.26 -0.97 113.70 115.53 1nbl s SER 2 Ca 0.00 -0.10 0.04 0.00 0.70 0.00 0.00 55.95 56.58 1nbl s SER 2 Cb 0.00 -0.35 -0.01 0.00 -1.71 0.00 0.00 66.02 63.95 1nbl s SER 2 CO 0.00 -0.04 -0.12 0.00 1.20 0.00 0.00 173.24 174.28 1nbl n ARG 5 N 0.63 0.86 -3.66 0.00 1.85 -1.25 -0.10 116.66 114.99 1nbl n ARG 5 Ca -0.12 0.00 -0.06 0.00 -1.00 0.00 0.00 57.85 56.67 1nbl n ARG 5 Cb 0.52 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.42 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 -0.27 0.52 2.89 6.03 -1.26 -4.52 114.94 116.27 1nbl s ASN 6 Ca 0.42 -0.27 0.24 0.00 -1.03 0.00 0.00 52.86 52.23 1nbl s ASN 6 Cb 0.20 0.48 1.40 0.00 -3.03 0.00 0.00 41.25 40.30 1nbl s ASN 6 CO 0.35 -0.85 2.09 0.74 -2.03 0.00 0.00 177.10 177.39 1nbl h THR 7 N 2.00 0.71 -0.26 0.54 2.02 -1.95 0.18 112.91 116.15 1nbl h THR 7 Ca -0.24 -0.45 0.06 0.00 0.77 0.00 0.00 66.41 66.55 1nbl h THR 7 Cb 1.24 1.28 -0.06 0.00 -1.74 0.00 0.00 68.15 68.87 1nbl h THR 7 CO 0.28 0.11 -0.12 0.25 0.37 0.00 0.00 175.52 176.41 1nbl h LEU 8 N 0.00 -0.41 -0.20 2.58 6.46 -1.98 0.18 115.31 121.93 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 0.27 0.23 0.01 0.00 -0.73 0.00 0.00 40.66 40.43 1nbl h LEU 8 CO 0.01 -0.15 -0.83 0.00 -0.62 0.00 0.00 178.44 176.85 1nbl h ALA 9 N 1.13 0.37 -0.82 1.25 0.00 -1.16 -0.45 119.26 119.57 1nbl h ALA 9 Ca 0.14 -0.63 0.17 0.00 0.00 0.00 0.00 54.91 54.58 1nbl h ALA 9 Cb 0.29 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.96 1nbl h ALA 9 CO -0.32 0.73 0.36 -0.09 0.00 0.00 0.00 179.25 179.93 1nbl h ARG 10 N 0.40 0.46 0.07 0.00 9.65 -0.84 0.39 114.38 124.51 1nbl h ARG 10 Ca -0.06 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1nbl h ARG 10 Cb 1.45 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.93 1nbl h ARG 10 CO 0.16 0.30 -0.03 -0.91 2.80 0.00 0.00 179.97 182.29 1nbl h ASN 11 N 0.47 -0.08 -0.85 -3.80 2.35 -0.23 0.97 115.58 114.42 1nbl h ASN 11 Ca 0.47 -0.40 0.21 0.00 -0.55 0.00 0.00 56.30 56.03 1nbl h ASN 11 Cb 0.76 0.02 -0.13 0.00 0.05 0.00 0.00 38.32 39.02 1nbl h ASN 11 CO -0.43 0.38 0.25 0.00 -1.65 0.00 0.00 177.43 175.98 1nbl h TYR 13 N 0.27 0.45 -0.13 0.00 5.03 0.00 0.43 116.97 123.02 1nbl h TYR 13 Ca 0.52 -0.14 -0.05 0.00 2.58 0.00 0.00 58.73 61.64 1nbl h TYR 13 Cb 0.99 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 39.17 1nbl h TYR 13 CO -0.24 0.77 -0.16 -0.91 -1.32 0.00 0.00 178.16 176.31 1nbl h ASN 14 N -0.00 0.19 -0.06 -2.11 2.35 -0.63 -0.40 115.58 114.93 1nbl h ASN 14 Ca 0.02 -0.04 -0.17 0.00 -0.55 0.00 0.00 56.30 55.56 1nbl h ASN 14 Cb 0.70 -0.05 0.01 0.00 0.05 0.00 0.00 38.32 39.03 1nbl h ASN 14 CO 0.04 0.37 -0.63 0.00 -1.65 0.00 0.00 177.43 175.56 1nbl h ALA 15 N 1.65 0.16 -0.25 -0.83 0.00 -0.63 -0.67 119.26 118.69 1nbl h ALA 15 Ca 0.04 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 1nbl h ALA 15 Cb 0.40 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1nbl h ALA 15 CO 0.02 0.44 -0.06 0.00 0.00 0.00 0.00 179.25 179.66 1nbl h ARG 17 N 0.38 0.15 0.59 0.00 9.65 -1.02 -1.83 114.38 122.30 1nbl h ARG 17 Ca 0.08 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 58.87 1nbl h ARG 17 Cb 0.35 -0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.93 1nbl h ARG 17 CO 0.02 0.52 -0.28 0.35 2.80 0.00 0.00 179.97 183.37 1nbl h PHE 18 N 0.13 -0.73 -3.22 2.20 3.04 -0.39 -3.46 116.94 114.50 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 0.74 0.24 0.21 0.00 2.56 0.00 0.00 35.95 39.70 1nbl h PHE 18 CO 0.01 -0.45 -0.02 0.95 -2.02 0.00 0.00 178.31 176.77 1nbl s THR 19 N -6.07 1.41 -0.12 4.41 -4.23 0.24 -4.91 115.64 106.38 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 0.13 0.00 1.34 0.00 0.00 72.50 71.79 1nbl s THR 19 CO 0.62 0.00 1.15 0.61 -0.54 0.00 0.00 174.62 176.47 1nbl n GLY 20 N 0.53 2.44 3.55 3.99 0.00 -1.26 -4.71 105.19 109.73 1nbl n GLY 20 Ca 0.12 -0.20 -0.39 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 0.54 1.95 1.08 -0.02 0.00 -1.23 -5.09 107.32 104.55 1nbl s GLY 21 Ca 0.11 -1.28 -0.13 0.00 0.00 0.00 0.00 44.72 43.42 1nbl s GLY 21 CO 0.02 0.73 0.73 -1.14 0.00 0.00 0.00 173.10 173.44 1nbl n SER 22 N 5.09 -1.49 -0.37 1.64 3.41 -1.26 -4.05 113.62 116.58 1nbl n SER 22 Ca -0.13 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 1nbl n SER 22 Cb 0.51 -1.23 0.14 0.00 -0.26 0.00 0.00 64.21 63.36 1nbl n SER 22 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1nbl h GLN 23 N -2.24 1.25 0.35 4.33 4.15 -1.97 0.67 115.11 121.65 1nbl h GLN 23 Ca -0.53 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 58.79 1nbl h GLN 23 Cb 1.32 -0.28 0.00 0.00 0.21 0.00 0.00 27.48 28.73 1nbl h GLN 23 CO 0.43 0.82 -0.17 -1.35 -1.93 0.00 0.00 178.83 176.63 1nbl h PRO 24 N 1.28 -0.46 -0.91 -2.39 0.11 -1.98 -1.72 132.00 125.94 1nbl h PRO 24 Ca 0.39 0.03 0.20 0.00 0.11 0.00 0.00 66.00 66.73 1nbl h PRO 24 Cb -0.02 0.10 -0.07 0.00 0.11 0.00 0.00 31.00 31.12 1nbl h PRO 24 CO -0.12 -0.30 0.60 1.15 -0.21 0.00 0.00 178.00 179.12 1nbl h THR 25 N -0.48 0.69 0.45 -1.15 2.02 -1.74 0.39 112.91 113.09 1nbl h THR 25 Ca -0.05 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 1nbl h THR 25 Cb 0.37 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1nbl h THR 25 CO 0.08 0.09 -0.21 0.00 0.37 0.00 0.00 175.52 175.84 1nbl h GLY 27 N -0.94 0.00 0.00 0.00 0.00 -0.61 -0.38 103.07 101.14 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 -0.08 -2.22 0.00 0.00 0.00 176.54 174.34 1nbl h ILE 28 N 0.00 0.00 -0.49 2.60 2.04 -0.10 0.36 117.51 121.91 1nbl h ILE 28 Ca 0.00 -0.67 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 1nbl h ILE 28 Cb 0.01 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.07 1nbl h ILE 28 CO 0.00 0.00 0.08 -0.07 0.00 0.00 0.00 178.15 178.16 1nbl h LEU 29 N -0.67 0.79 -0.23 1.44 3.38 -0.61 -0.56 115.31 118.85 1nbl h LEU 29 Ca 0.00 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1nbl h LEU 29 Cb 0.08 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1nbl h LEU 29 CO 0.00 0.85 -0.08 0.00 0.09 0.00 0.00 178.44 179.31 1nbl n ASP 31 N -0.91 -3.26 -5.00 0.00 9.92 -0.22 -4.66 116.55 112.43 1nbl n ASP 31 Ca 0.16 -0.65 -0.18 0.00 -0.53 0.00 0.00 54.79 53.59 1nbl n ASP 31 Cb 0.26 -4.82 0.01 0.00 -0.64 0.00 0.00 41.12 35.93 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 -1.92 0.00 -3.71 0.00 -5.35 -0.50 -4.40 119.36 103.47 1nbl n ILE 33 Ca 0.06 0.00 -0.24 0.00 -0.27 0.00 0.00 62.75 62.30 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 -0.76 0.55 0.08 4.28 5.65 -1.26 -3.57 115.29 120.26 1nbl s HIS 34 Ca 0.00 -0.30 0.01 0.00 0.25 0.00 0.00 55.06 55.03 1nbl s HIS 34 Cb 0.00 -0.78 -0.04 0.00 -1.18 0.00 0.00 32.58 30.58 1nbl s HIS 34 CO 0.00 -0.41 0.19 0.14 -0.65 0.00 0.00 174.74 174.01 1nbl s VAL 35 N 2.01 5.17 -0.49 0.89 -7.23 -0.14 -4.97 120.40 115.65 1nbl s VAL 35 Ca 0.03 -0.54 0.04 0.00 -1.81 0.00 0.00 61.98 59.70 1nbl s VAL 35 Cb -0.14 -3.54 0.42 0.00 0.56 0.00 0.00 36.38 33.67 1nbl s VAL 35 CO -0.06 0.09 1.27 0.35 -0.31 0.00 0.00 175.10 176.44 1nbl n THR 36 N 0.18 2.59 -0.56 5.32 -2.24 -1.26 -3.64 114.28 114.67 1nbl n THR 36 Ca -0.06 -4.72 -0.22 0.00 -2.27 0.00 0.00 64.05 56.78 1nbl n THR 36 Cb 0.52 -1.25 0.20 0.00 -2.10 0.00 0.00 70.33 67.70 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 -0.53 0.00 0.00 4.28 -2.24 -1.26 -4.99 114.28 109.55 1nbl n THR 37 Ca 0.42 -0.19 -0.12 0.00 -2.27 0.00 0.00 64.05 61.89 1nbl n THR 37 Cb 0.63 -0.96 -0.08 0.00 -2.10 0.00 0.00 70.33 67.82 1nbl n THR 37 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1nbl h THR 38 N -2.79 1.19 -2.44 4.28 2.02 -2.06 -3.49 112.91 109.62 1nbl h THR 38 Ca -0.30 -0.57 0.16 0.00 0.77 0.00 0.00 66.41 66.48 1nbl h THR 38 Cb 0.95 1.53 -0.08 0.00 -1.74 0.00 0.00 68.15 68.81 1nbl h THR 38 CO 0.19 0.15 0.45 -0.89 0.37 0.00 0.00 175.52 175.78 1nbl s THR 39 N -5.26 0.00 0.02 3.16 2.01 -1.26 -5.14 115.64 109.17 1nbl s THR 39 Ca -0.14 -0.71 -0.32 0.00 0.31 0.00 0.00 61.69 60.83 1nbl s THR 39 Cb 0.04 -1.99 -0.11 0.00 0.01 0.00 0.00 72.50 70.46 1nbl s THR 39 CO 0.67 0.00 1.90 0.00 -0.69 0.00 0.00 174.62 176.50 1nbl s PRO 41 N 3.80 0.57 0.39 0.00 0.04 -1.19 -4.73 135.00 133.87 1nbl s PRO 41 Ca 0.88 0.10 0.09 0.00 0.04 0.00 0.00 61.00 62.11 1nbl s PRO 41 Cb -0.54 -1.79 0.86 0.00 0.04 0.00 0.00 34.50 33.06 1nbl s PRO 41 CO 0.44 -2.54 1.96 0.77 0.04 0.00 0.00 177.00 177.67 1nbl h SER 42 N -1.74 0.55 0.63 6.66 0.02 -1.96 -2.28 113.55 115.43 1nbl h SER 42 Ca -0.48 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.39 1nbl h SER 42 Cb 1.31 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 1nbl h SER 42 CO 0.52 0.34 -0.40 -1.28 -1.14 0.00 0.00 176.83 174.88 1nbl h SER 43 N 0.62 0.00 -2.11 3.07 0.87 -1.99 -3.39 113.55 110.62 1nbl h SER 43 Ca 0.30 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 60.37 1nbl h SER 43 Cb 0.39 0.00 -0.34 0.00 -0.44 0.00 0.00 62.40 62.01 1nbl h SER 43 CO -0.10 0.40 -0.85 -1.00 -0.53 0.00 0.00 176.83 174.75 1nbl s HIS 44 N -3.81 0.43 0.35 2.24 3.76 -0.90 -4.70 115.29 112.66 1nbl s HIS 44 Ca -0.01 -1.78 0.06 0.00 -0.15 0.00 0.00 55.06 53.18 1nbl s HIS 44 Cb 0.12 -0.65 0.65 0.00 1.11 0.00 0.00 32.58 33.82 1nbl s HIS 44 CO 0.70 -0.92 1.88 -1.00 -0.85 0.00 0.00 174.74 174.55 1nbl h PRO 45 N 5.86 0.41 -0.01 8.40 0.13 -1.20 -3.16 132.00 142.42 1nbl h PRO 45 Ca 0.19 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1nbl h PRO 45 Cb 0.97 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1nbl h PRO 45 CO 0.28 0.50 0.00 0.45 -0.23 0.00 0.00 178.00 179.00