#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 1.95 0.00 3.14 1.04 -1.26 -0.59 113.70 117.98 1nbl s SER 2 Ca 0.00 -0.32 -0.00 0.00 0.48 0.00 0.00 55.95 56.11 1nbl s SER 2 Cb 0.00 -0.64 -0.00 0.00 0.10 0.00 0.00 66.02 65.48 1nbl s SER 2 CO 0.00 0.11 0.00 0.00 0.98 0.00 0.00 173.24 174.33 1nbl n ARG 5 N 0.18 0.42 -3.73 0.00 1.85 -1.25 -0.29 116.66 113.84 1nbl n ARG 5 Ca -0.11 0.03 -0.07 0.00 -1.00 0.00 0.00 57.85 56.70 1nbl n ARG 5 Cb 0.54 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.43 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 -2.53 -0.30 0.49 2.89 6.03 -1.26 -4.59 114.94 115.67 1nbl s ASN 6 Ca 0.27 -0.41 0.22 0.00 -1.03 0.00 0.00 52.86 51.91 1nbl s ASN 6 Cb 0.18 0.62 1.27 0.00 -3.03 0.00 0.00 41.25 40.29 1nbl s ASN 6 CO 0.40 -1.12 2.03 0.74 -2.03 0.00 0.00 177.10 177.12 1nbl h THR 7 N 2.00 0.79 -0.29 0.54 2.02 -1.95 0.18 112.91 116.19 1nbl h THR 7 Ca -0.23 -0.60 0.06 0.00 0.77 0.00 0.00 66.41 66.41 1nbl h THR 7 Cb 1.26 1.36 -0.06 0.00 -1.74 0.00 0.00 68.15 68.97 1nbl h THR 7 CO 0.27 0.15 -0.09 0.25 0.37 0.00 0.00 175.52 176.47 1nbl h LEU 8 N 0.00 -0.33 -0.14 2.58 6.46 -1.98 0.59 115.31 122.50 1nbl h LEU 8 Ca -0.00 0.10 -0.24 0.00 -0.12 0.00 0.00 57.88 57.62 1nbl h LEU 8 Cb 0.35 0.21 0.01 0.00 -0.73 0.00 0.00 40.66 40.49 1nbl h LEU 8 CO 0.02 -0.12 -0.93 0.00 -0.62 0.00 0.00 178.44 176.79 1nbl h ALA 9 N 1.25 0.30 -0.80 1.25 0.00 -1.25 -0.52 119.26 119.48 1nbl h ALA 9 Ca 0.15 -0.67 0.16 0.00 0.00 0.00 0.00 54.91 54.54 1nbl h ALA 9 Cb 0.25 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.95 1nbl h ALA 9 CO -0.32 0.74 0.34 -0.09 0.00 0.00 0.00 179.25 179.92 1nbl h ARG 10 N 0.35 0.46 0.05 0.00 9.65 -0.83 0.35 114.38 124.41 1nbl h ARG 10 Ca -0.09 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.76 1nbl h ARG 10 Cb 1.56 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 30.04 1nbl h ARG 10 CO 0.17 0.30 -0.02 -0.91 2.80 0.00 0.00 179.97 182.31 1nbl h ASN 11 N 0.47 -0.06 -0.77 -3.80 2.35 -0.25 0.78 115.58 114.31 1nbl h ASN 11 Ca 0.45 -0.36 0.18 0.00 -0.55 0.00 0.00 56.30 56.01 1nbl h ASN 11 Cb 0.70 0.01 -0.12 0.00 0.05 0.00 0.00 38.32 38.96 1nbl h ASN 11 CO -0.42 0.34 0.12 0.00 -1.65 0.00 0.00 177.43 175.82 1nbl h TYR 13 N 0.19 0.49 -0.10 0.00 3.20 -0.04 0.47 116.97 121.19 1nbl h TYR 13 Ca 0.44 -0.10 -0.07 0.00 3.14 0.00 0.00 58.73 62.14 1nbl h TYR 13 Cb 0.79 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 1nbl h TYR 13 CO -0.32 0.65 -0.27 -0.91 -1.64 0.00 0.00 178.16 175.67 1nbl h ASN 14 N 0.20 0.18 -0.01 -2.11 2.35 -0.66 -1.20 115.58 114.32 1nbl h ASN 14 Ca 0.06 -0.05 -0.22 0.00 -0.55 0.00 0.00 56.30 55.55 1nbl h ASN 14 Cb 0.47 -0.05 0.02 0.00 0.05 0.00 0.00 38.32 38.81 1nbl h ASN 14 CO 0.02 0.45 -0.84 0.00 -1.65 0.00 0.00 177.43 175.41 1nbl h ALA 15 N 1.56 0.12 -0.23 -0.83 0.00 -0.64 -0.48 119.26 118.77 1nbl h ALA 15 Ca 0.03 -0.63 -0.07 0.00 0.00 0.00 0.00 54.91 54.23 1nbl h ALA 15 Cb 0.57 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1nbl h ALA 15 CO 0.04 0.54 -0.16 0.00 0.00 0.00 0.00 179.25 179.67 1nbl h ARG 17 N 0.36 0.11 0.57 0.00 9.65 -1.16 -1.52 114.38 122.40 1nbl h ARG 17 Ca 0.07 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 58.87 1nbl h ARG 17 Cb 0.49 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.07 1nbl h ARG 17 CO 0.03 0.49 -0.29 0.35 2.80 0.00 0.00 179.97 183.34 1nbl h PHE 18 N 0.10 -0.76 -3.22 2.20 3.04 -0.52 -3.46 116.94 114.32 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 0.73 0.26 0.21 0.00 2.56 0.00 0.00 35.95 39.70 1nbl h PHE 18 CO 0.01 -0.46 -0.02 0.95 -2.02 0.00 0.00 178.31 176.76 1nbl s THR 19 N -6.07 1.39 -0.27 4.41 -4.23 0.16 -4.91 115.64 106.12 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 -2.22 0.15 0.00 1.34 0.00 0.00 72.50 71.81 1nbl s THR 19 CO 0.63 0.00 1.10 0.61 -0.54 0.00 0.00 174.62 176.41 1nbl n GLY 20 N 0.50 2.37 3.57 3.99 0.00 -1.26 -4.70 105.19 109.65 1nbl n GLY 20 Ca 0.12 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 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 0.35 1.90 1.07 -0.02 0.00 -1.23 -5.09 107.32 104.31 1nbl s GLY 21 Ca 0.12 -1.09 -0.12 0.00 0.00 0.00 0.00 44.72 43.63 1nbl s GLY 21 CO 0.03 0.92 1.07 -0.56 0.00 0.00 0.00 173.10 174.56 1nbl s SER 22 N 1.71 1.67 0.22 1.64 0.01 -1.26 -4.07 113.70 113.62 1nbl s SER 22 Ca 0.12 1.79 -0.09 0.00 1.31 0.00 0.00 55.95 59.08 1nbl s SER 22 Cb -0.16 -2.42 0.18 0.00 0.21 0.00 0.00 66.02 63.83 1nbl s SER 22 CO 0.11 -3.82 1.86 -0.61 0.41 0.00 0.00 173.24 171.19 1nbl h GLN 23 N -2.36 1.13 0.12 12.44 4.15 -1.97 0.68 115.11 129.30 1nbl h GLN 23 Ca -0.55 -0.11 0.02 0.00 0.77 0.00 0.00 58.65 58.79 1nbl h GLN 23 Cb 1.31 -0.24 -0.04 0.00 0.21 0.00 0.00 27.48 28.72 1nbl h GLN 23 CO 0.47 0.80 -0.33 -1.35 -1.93 0.00 0.00 178.83 176.49 1nbl h PRO 24 N 1.14 -0.53 -0.88 -2.39 0.11 -1.98 -1.24 132.00 126.23 1nbl h PRO 24 Ca 0.30 0.04 0.16 0.00 0.11 0.00 0.00 66.00 66.60 1nbl h PRO 24 Cb -0.04 0.12 -0.07 0.00 0.11 0.00 0.00 31.00 31.12 1nbl h PRO 24 CO -0.06 -0.35 0.57 1.15 -0.21 0.00 0.00 178.00 179.10 1nbl h THR 25 N -0.55 0.79 0.33 -1.15 2.02 -1.67 0.23 112.91 112.91 1nbl h THR 25 Ca 0.03 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 1nbl h THR 25 Cb 0.58 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1nbl h THR 25 CO -0.19 0.11 -0.16 0.00 0.37 0.00 0.00 175.52 175.65 1nbl h GLY 27 N -0.76 0.00 0.00 0.00 0.00 -0.41 -1.61 103.07 100.28 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 0.07 0.00 -0.13 -2.22 0.00 0.00 0.00 176.54 174.27 1nbl h ILE 28 N 0.00 0.00 -0.40 2.60 2.04 -0.45 0.25 117.51 121.54 1nbl h ILE 28 Ca -0.00 -0.79 -0.05 0.00 1.00 0.00 0.00 64.86 65.02 1nbl h ILE 28 Cb 0.00 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 0.06 -0.07 0.00 0.00 0.00 178.15 178.14 1nbl h LEU 29 N -0.79 0.64 -0.08 1.44 3.38 -0.62 0.07 115.31 119.36 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 0.13 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1nbl h LEU 29 CO 0.00 0.74 0.00 0.00 0.09 0.00 0.00 178.44 179.27 1nbl n ASP 31 N -1.68 -1.66 -3.81 0.00 8.00 0.01 -4.77 116.55 112.64 1nbl n ASP 31 Ca 0.05 -0.75 -0.28 0.00 0.71 0.00 0.00 54.79 54.53 1nbl n ASP 31 Cb 0.28 -4.42 0.19 0.00 -0.02 0.00 0.00 41.12 37.15 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 -3.72 0.00 -3.85 0.00 -5.35 -0.46 -4.56 119.36 101.41 1nbl n ILE 33 Ca 0.16 0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.35 1nbl n ILE 33 Cb 0.55 0.00 -0.16 0.00 -1.74 0.00 0.00 39.64 38.29 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 -1.52 1.73 0.15 4.28 5.65 -1.26 -3.35 115.29 120.97 1nbl s HIS 34 Ca 0.00 -1.29 -0.08 0.00 0.25 0.00 0.00 55.06 53.94 1nbl s HIS 34 Cb 0.00 -1.31 -0.06 0.00 -1.18 0.00 0.00 32.58 30.03 1nbl s HIS 34 CO 0.00 -0.68 0.44 0.14 -0.65 0.00 0.00 174.74 173.99 1nbl s VAL 35 N 1.62 5.06 -0.49 0.89 -7.23 0.24 -4.95 120.40 115.53 1nbl s VAL 35 Ca -0.03 0.33 0.04 0.00 -1.81 0.00 0.00 61.98 60.51 1nbl s VAL 35 Cb -0.18 -3.64 0.41 0.00 0.56 0.00 0.00 36.38 33.54 1nbl s VAL 35 CO -0.07 0.10 1.26 0.35 -0.31 0.00 0.00 175.10 176.43 1nbl n THR 36 N 0.32 2.58 -0.68 5.32 -2.24 -1.26 -3.20 114.28 115.12 1nbl n THR 36 Ca -0.03 -4.78 -0.27 0.00 -2.27 0.00 0.00 64.05 56.70 1nbl n THR 36 Cb 0.52 -1.26 0.24 0.00 -2.10 0.00 0.00 70.33 67.73 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 -0.51 0.00 0.13 4.28 -2.24 -1.26 -4.97 114.28 109.71 1nbl n THR 37 Ca 0.42 -0.26 -0.15 0.00 -2.27 0.00 0.00 64.05 61.79 1nbl n THR 37 Cb 0.62 -1.08 -0.08 0.00 -2.10 0.00 0.00 70.33 67.69 1nbl n THR 37 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1nbl h THR 38 N -2.93 0.11 -2.04 4.28 1.35 -2.06 -3.49 112.91 108.12 1nbl h THR 38 Ca -0.36 0.00 0.24 0.00 -0.55 0.00 0.00 66.41 65.74 1nbl h THR 38 Cb 1.13 0.11 -0.09 0.00 -1.73 0.00 0.00 68.15 67.57 1nbl h THR 38 CO 0.23 0.00 0.64 -0.89 -0.25 0.00 0.00 175.52 175.24 1nbl s THR 39 N -5.88 0.00 -0.39 6.82 2.01 -1.26 -5.14 115.64 111.81 1nbl s THR 39 Ca -0.16 -0.48 -0.43 0.00 0.31 0.00 0.00 61.69 60.93 1nbl s THR 39 Cb 0.07 -2.15 -0.17 0.00 0.01 0.00 0.00 72.50 70.25 1nbl s THR 39 CO 0.62 0.00 1.78 0.00 -0.69 0.00 0.00 174.62 176.33 1nbl s PRO 41 N 3.88 1.24 0.38 0.00 0.04 -1.18 -4.82 135.00 134.55 1nbl s PRO 41 Ca 1.04 0.13 0.07 0.00 0.04 0.00 0.00 61.00 62.29 1nbl s PRO 41 Cb -1.26 -1.87 0.81 0.00 0.04 0.00 0.00 34.50 32.22 1nbl s PRO 41 CO 0.70 -2.10 1.99 1.03 0.04 0.00 0.00 177.00 178.67 1nbl h SER 42 N -1.42 0.57 0.69 6.66 0.87 -1.97 -2.51 113.55 116.44 1nbl h SER 42 Ca -0.48 -0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.01 1nbl h SER 42 Cb 1.32 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.14 1nbl h SER 42 CO 0.59 0.39 -0.32 0.28 -0.53 0.00 0.00 176.83 177.24 1nbl h SER 43 N 0.66 0.00 -1.84 6.23 0.02 -1.98 -3.39 113.55 113.24 1nbl h SER 43 Ca 0.26 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.84 1nbl h SER 43 Cb 0.18 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 62.43 1nbl h SER 43 CO -0.07 0.32 -0.70 -1.00 -1.14 0.00 0.00 176.83 174.23 1nbl s HIS 44 N -3.81 -0.29 0.07 3.45 3.76 -0.97 -4.69 115.29 112.81 1nbl s HIS 44 Ca -0.01 -1.03 0.12 0.00 -0.15 0.00 0.00 55.06 54.00 1nbl s HIS 44 Cb 0.12 -0.36 0.13 0.00 1.11 0.00 0.00 32.58 33.58 1nbl s HIS 44 CO 0.67 -1.00 1.47 -1.00 -0.85 0.00 0.00 174.74 174.03 1nbl h PRO 45 N 6.49 0.00 -0.00 8.40 0.13 -1.15 -3.12 132.00 142.75 1nbl h PRO 45 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1nbl h PRO 45 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1nbl h PRO 45 CO 0.20 0.67 0.00 0.45 -0.23 0.00 0.00 178.00 179.09