#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iwc n GLY 2 N 0.00 -0.03 2.07 3.03 0.00 -1.26 -4.63 105.19 104.36 1iwc n GLY 2 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1iwc n GLY 2 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iwc n LYS 3 N 0.00 0.00 0.05 1.61 5.02 -1.26 -4.88 118.16 118.70 1iwc n LYS 3 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1iwc n LYS 3 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1iwc n LYS 3 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iwc n ALA 4 N -2.78 0.00 0.12 7.82 0.00 -1.26 -4.79 120.51 119.62 1iwc n ALA 4 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1iwc n ALA 4 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1iwc n ALA 4 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1iwc h GLU 5 N 0.00 -0.28 0.03 0.00 4.39 -1.99 -1.95 114.58 114.78 1iwc h GLU 5 Ca 0.00 0.02 -0.26 0.00 0.34 0.00 0.00 59.36 59.45 1iwc h GLU 5 Cb 0.00 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 1iwc h GLU 5 CO 0.00 -0.02 -1.39 -0.97 -1.16 0.00 0.00 179.01 175.48 1iwc h ASN 6 N -0.52 0.11 -0.02 1.42 -0.73 -1.96 -3.02 115.58 110.85 1iwc h ASN 6 Ca -0.03 -0.16 0.03 0.00 1.87 0.00 0.00 56.30 58.01 1iwc h ASN 6 Cb 0.39 -0.04 -0.04 0.00 0.27 0.00 0.00 38.32 38.91 1iwc h ASN 6 CO 0.05 1.13 -0.17 0.22 -0.37 0.00 0.00 177.43 178.29 1iwc h TYR 7 N 0.02 -0.43 -0.34 0.67 3.20 -1.82 -0.25 116.97 118.03 1iwc h TYR 7 Ca -0.17 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.63 1iwc h TYR 7 Cb 1.92 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 40.38 1iwc h TYR 7 CO 0.02 -0.24 -0.14 1.49 -1.64 0.00 0.00 178.16 177.65 1iwc h GLU 8 N -0.26 0.69 -0.24 1.82 4.81 -1.48 -2.66 114.58 117.26 1iwc h GLU 8 Ca 0.06 -0.29 0.07 0.00 -0.13 0.00 0.00 59.36 59.07 1iwc h GLU 8 Cb 0.34 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1iwc h GLU 8 CO -0.18 0.88 0.23 1.25 -0.73 0.00 0.00 179.01 180.46 1iwc h LEU 9 N 0.46 0.00 0.36 1.64 6.46 -1.33 -2.60 115.31 120.30 1iwc h LEU 9 Ca 0.08 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.82 1iwc h LEU 9 Cb 0.66 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.59 1iwc h LEU 9 CO 0.04 0.00 -0.17 0.22 -0.62 0.00 0.00 178.44 177.91 1iwc h TYR 10 N 0.00 -0.45 -0.80 1.25 3.20 -0.69 -1.51 116.97 117.97 1iwc h TYR 10 Ca 0.11 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.12 1iwc h TYR 10 Cb 0.56 0.15 -0.15 0.00 1.54 0.00 0.00 36.73 38.84 1iwc h TYR 10 CO 0.00 -0.25 -0.29 1.96 -1.64 0.00 0.00 178.16 177.94 1iwc h GLN 11 N -1.12 -0.05 -0.47 1.82 4.20 -1.38 0.72 115.11 118.85 1iwc h GLN 11 Ca -0.05 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 1iwc h GLN 11 Cb 0.39 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1iwc h GLN 11 CO 0.08 -0.03 0.08 -0.24 -0.67 0.00 0.00 178.83 178.05 1iwc h VAL 12 N -0.05 1.22 -0.00 -0.54 3.04 -1.57 -1.60 116.25 116.74 1iwc h VAL 12 Ca 0.34 -0.81 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 1iwc h VAL 12 Cb 0.59 0.78 -0.00 0.00 -2.01 0.00 0.00 31.29 30.65 1iwc h VAL 12 CO -0.84 0.29 0.00 -0.08 -1.01 0.00 0.00 177.57 175.94 1iwc h GLU 13 N 0.69 0.00 0.39 4.17 4.81 0.15 -2.44 114.58 122.35 1iwc h GLU 13 Ca 0.15 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1iwc h GLU 13 Cb 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1iwc h GLU 13 CO 0.00 0.00 -0.19 -0.07 -0.73 0.00 0.00 179.01 178.03 1iwc h LEU 14 N 0.00 -0.44 -6.38 1.64 -0.00 -0.24 -3.43 115.31 106.47 1iwc h LEU 14 Ca 0.00 -0.06 -0.36 0.00 -0.00 0.00 0.00 57.88 57.46 1iwc h LEU 14 Cb 0.01 0.11 -0.31 0.00 -0.00 0.00 0.00 40.66 40.47 1iwc h LEU 14 CO -0.00 0.00 -0.68 -0.83 -0.00 0.00 0.00 178.44 176.94 1iwc s GLY 15 N -2.93 -0.03 0.00 0.83 0.00 -1.08 -5.05 107.32 99.06 1iwc s GLY 15 Ca -0.10 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.73 1iwc s GLY 15 CO 0.31 2.71 0.06 -1.55 0.00 0.00 0.00 173.10 174.64 1iwc n PRO 16 N 4.40 0.00 -2.69 2.90 -0.04 -0.94 -4.85 135.00 133.79 1iwc n PRO 16 Ca 0.09 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.52 1iwc n PRO 16 Cb 0.45 -0.55 -0.02 0.00 -0.04 0.00 0.00 33.50 33.33 1iwc n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1iwc n GLY 17 N 2.14 -4.56 0.00 0.55 0.00 -1.26 -4.70 105.19 97.36 1iwc n GLY 17 Ca 0.00 1.14 -0.00 0.00 0.00 0.00 0.00 46.02 47.16 1iwc n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iwc h PRO 18 N 3.69 -0.00 -0.04 1.61 0.13 -1.96 -3.03 132.00 132.40 1iwc h PRO 18 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1iwc h PRO 18 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1iwc h PRO 18 CO 0.05 -0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.25 1iwc n SER 19 N -2.00 1.08 -0.01 1.44 7.64 -1.26 -3.58 113.62 116.93 1iwc n SER 19 Ca -0.00 -1.41 0.03 0.00 1.01 0.00 0.00 58.87 58.50 1iwc n SER 19 Cb 0.00 -0.02 -0.13 0.00 -1.01 0.00 0.00 64.21 63.05 1iwc n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iwc n GLY 20 N 1.10 -1.10 2.55 0.23 0.00 -1.26 -4.30 105.19 102.41 1iwc n GLY 20 Ca 0.19 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 1iwc n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1iwc n ASP 21 N -2.58 7.08 0.00 1.61 -0.08 -1.14 -4.09 116.55 117.35 1iwc n ASP 21 Ca -0.12 -3.52 0.00 0.00 -1.51 0.00 0.00 54.79 49.63 1iwc n ASP 21 Cb 0.78 -1.11 0.00 0.00 2.34 0.00 0.00 41.12 43.13 1iwc n ASP 21 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 1iwc n MET 22 N -0.02 0.00 -0.10 -0.67 2.81 -1.26 -4.81 117.12 113.06 1iwc n MET 22 Ca 0.51 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 56.42 1iwc n MET 22 Cb 0.46 0.00 0.08 0.00 -0.71 0.00 0.00 33.22 33.04 1iwc n MET 22 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1iwc n ALA 23 N -1.07 2.52 -0.34 3.04 0.00 -1.26 -4.07 120.51 119.33 1iwc n ALA 23 Ca 0.00 -0.32 0.07 0.00 0.00 0.00 0.00 53.44 53.19 1iwc n ALA 23 Cb 0.00 -0.99 0.26 0.00 0.00 0.00 0.00 19.45 18.71 1iwc n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iwc h ALA 24 N 3.21 1.56 0.00 0.00 0.00 -1.88 0.44 119.26 122.59 1iwc h ALA 24 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1iwc h ALA 24 Cb 0.31 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1iwc h ALA 24 CO 0.02 0.22 -0.54 0.87 0.00 0.00 0.00 179.25 179.82 1iwc h LYS 25 N 0.97 0.00 -0.00 0.00 1.79 -1.92 -3.07 116.57 114.34 1iwc h LYS 25 Ca 0.47 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.94 1iwc h LYS 25 Cb 0.46 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1iwc h LYS 25 CO -0.23 0.14 -0.00 0.52 -1.08 0.00 0.00 179.45 178.80 1iwc h MET 26 N 0.00 0.01 -0.04 3.15 2.86 -1.18 -1.32 114.93 118.41 1iwc h MET 26 Ca -0.02 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1iwc h MET 26 Cb 1.15 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.81 1iwc h MET 26 CO 0.02 0.33 -0.02 0.77 1.06 0.00 0.00 176.91 179.07 1iwc h SER 27 N -0.31 0.08 0.00 1.22 0.02 -1.46 -2.45 113.55 110.64 1iwc h SER 27 Ca 0.00 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1iwc h SER 27 Cb 0.32 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1iwc h SER 27 CO 0.00 0.48 0.02 0.29 -1.14 0.00 0.00 176.83 176.47 1iwc n LYS 28 N -4.83 0.11 0.06 3.45 4.76 -1.16 -0.11 118.16 120.43 1iwc n LYS 28 Ca -0.08 0.61 -0.03 0.00 -2.87 0.00 0.00 58.31 55.94 1iwc n LYS 28 Cb 0.24 -1.88 -0.01 0.00 -1.84 0.00 0.00 35.03 31.53 1iwc n LYS 28 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1iwc h LYS 29 N 0.00 -0.18 0.00 1.97 3.64 -0.73 -3.41 116.57 117.86 1iwc h LYS 29 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1iwc h LYS 29 Cb 0.03 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1iwc h LYS 29 CO 0.00 -0.12 -0.96 0.36 -2.27 0.00 0.00 179.45 176.46 1iwc n LYS 30 N -3.51 3.20 0.00 1.90 0.00 -1.12 -4.64 118.16 113.99 1iwc n LYS 30 Ca -0.02 0.00 0.21 0.00 -0.00 0.00 0.00 58.31 58.49 1iwc n LYS 30 Cb 0.07 -0.98 0.70 0.00 -0.00 0.00 0.00 35.03 34.83 1iwc n LYS 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1iwc h ALA 31 N 0.00 2.47 0.00 0.58 0.00 -0.68 -3.45 119.26 118.18 1iwc h ALA 31 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1iwc h ALA 31 Cb 0.79 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1iwc h ALA 31 CO 0.00 -0.68 0.00 0.41 0.00 0.00 0.00 179.25 178.98 1iwc n GLY 32 N -1.63 1.98 3.75 0.00 0.00 -0.48 -4.89 105.19 103.92 1iwc n GLY 32 Ca 0.10 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1iwc n GLY 32 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1iwc s ARG 33 N 0.00 4.24 0.00 1.61 1.70 -1.26 -4.71 118.95 120.53 1iwc s ARG 33 Ca 0.00 0.38 0.20 0.00 -0.47 0.00 0.00 55.73 55.85 1iwc s ARG 33 Cb 0.00 -3.39 0.16 0.00 -0.57 0.00 0.00 34.95 31.15 1iwc s ARG 33 CO 0.00 0.28 1.14 0.41 -1.08 0.00 0.00 175.30 176.05