#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nla n LYS 2 N 0.00 2.54 -3.53 0.03 5.02 -1.26 -4.86 118.16 116.10 1nla n LYS 2 Ca 0.00 -3.24 0.00 0.00 -2.02 0.00 0.00 58.31 53.06 1nla n LYS 2 Cb 0.00 -2.22 -0.04 0.00 -0.02 0.00 0.00 35.03 32.75 1nla n LYS 2 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1nla s GLY 3 N -1.78 -0.55 0.43 0.72 0.00 -1.26 -5.17 107.32 99.71 1nla s GLY 3 Ca 0.60 2.58 0.07 0.00 0.00 0.00 0.00 44.72 47.97 1nla s GLY 3 CO 0.04 3.16 0.16 1.06 0.00 0.00 0.00 173.10 177.51 1nla s MET 4 N 2.74 2.19 -0.00 2.90 -1.94 -1.26 -5.15 119.30 118.77 1nla s MET 4 Ca -0.03 -1.93 -0.28 0.00 -1.71 0.00 0.00 55.69 51.73 1nla s MET 4 Cb -0.10 -1.91 0.07 0.00 2.01 0.00 0.00 34.83 34.89 1nla s MET 4 CO -0.18 -0.16 0.64 -1.12 -0.01 0.00 0.00 175.02 174.19 1nla s SER 5 N -3.90 -0.61 0.24 3.03 0.01 -1.26 -5.18 113.70 106.03 1nla s SER 5 Ca 0.38 0.53 -0.05 0.00 1.31 0.00 0.00 55.95 58.11 1nla s SER 5 Cb 0.04 0.54 0.02 0.00 0.21 0.00 0.00 66.02 66.83 1nla s SER 5 CO 0.21 -0.68 0.41 0.29 0.41 0.00 0.00 173.24 173.88 1nla n LYS 6 N 0.65 0.59 -1.13 12.44 5.02 -1.26 -5.16 118.16 129.32 1nla n LYS 6 Ca -0.19 -1.60 -0.30 0.00 -2.02 0.00 0.00 58.31 54.20 1nla n LYS 6 Cb 0.59 1.75 0.13 0.00 -0.02 0.00 0.00 35.03 37.48 1nla n LYS 6 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nla s MET 7 N -2.28 1.43 0.67 1.97 0.23 -1.26 -5.00 119.30 115.06 1nla s MET 7 Ca 0.14 1.02 -0.13 0.00 -1.03 0.00 0.00 55.69 55.69 1nla s MET 7 Cb -0.02 -1.81 0.00 0.00 -1.53 0.00 0.00 34.83 31.47 1nla s MET 7 CO 0.10 -2.18 1.07 -1.25 -2.03 0.00 0.00 175.02 170.74 1nla s PRO 8 N -4.87 2.89 0.03 3.16 0.04 -1.26 -4.93 135.00 130.06 1nla s PRO 8 Ca 0.63 1.14 0.23 0.00 0.04 0.00 0.00 61.00 63.05 1nla s PRO 8 Cb -0.19 -1.98 0.98 0.00 0.04 0.00 0.00 34.50 33.35 1nla s PRO 8 CO 0.57 -1.15 1.74 0.94 0.04 0.00 0.00 177.00 179.15 1nla n GLN 9 N -2.77 0.03 0.15 4.56 0.00 -1.26 -3.06 117.38 115.03 1nla n GLN 9 Ca 0.09 0.12 0.01 0.00 -0.00 0.00 0.00 57.00 57.22 1nla n GLN 9 Cb 0.53 -1.54 0.17 0.00 0.00 0.00 0.00 30.24 29.40 1nla n GLN 9 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 1nla h PHE 10 N 0.00 0.00 -0.59 3.69 3.57 -2.04 -3.06 116.94 118.52 1nla h PHE 10 Ca 0.00 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 1nla h PHE 10 Cb 0.42 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.08 1nla h PHE 10 CO 0.00 0.56 0.18 1.28 -2.23 0.00 0.00 178.31 178.11 1nla n LEU 11 N -3.53 5.27 0.22 0.59 4.77 -1.17 -4.33 117.00 118.82 1nla n LEU 11 Ca -0.00 -2.72 0.15 0.00 -0.03 0.00 0.00 56.01 53.40 1nla n LEU 11 Cb 0.65 -0.70 0.51 0.00 -2.33 0.00 0.00 43.42 41.55 1nla n LEU 11 CO 0.40 0.69 0.92 -1.13 -1.33 0.00 0.00 177.39 176.94 1nla h ASN 12 N 2.42 0.00 -0.10 -1.43 -0.73 -1.69 -2.86 115.58 111.19 1nla h ASN 12 Ca 0.18 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.35 1nla h ASN 12 Cb 1.99 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.58 1nla h ASN 12 CO 0.57 0.00 0.00 0.54 -0.37 0.00 0.00 177.43 178.17 1nla n ARG 13 N -2.82 2.19 -2.63 6.67 5.12 -1.26 -4.94 116.66 118.99 1nla n ARG 13 Ca 0.02 -1.74 -0.32 0.00 -1.93 0.00 0.00 57.85 53.88 1nla n ARG 13 Cb 0.35 -1.47 -0.04 0.00 -1.16 0.00 0.00 32.46 30.14 1nla n ARG 13 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1nla s TRP 14 N -1.89 3.44 0.82 -1.55 0.52 -1.08 -5.04 118.94 114.15 1nla s TRP 14 Ca 0.32 1.33 -0.11 0.00 0.02 0.00 0.00 56.10 57.66 1nla s TRP 14 Cb 0.21 -2.67 0.08 0.00 -1.15 0.00 0.00 33.47 29.94 1nla s TRP 14 CO 0.31 -0.23 1.09 -1.25 0.02 0.00 0.00 176.95 176.89 1nla s PRO 15 N -3.84 1.88 0.20 4.98 0.04 -1.26 -4.87 135.00 132.12 1nla s PRO 15 Ca 0.56 0.96 -0.09 0.00 0.04 0.00 0.00 61.00 62.48 1nla s PRO 15 Cb -0.10 -1.87 0.12 0.00 0.04 0.00 0.00 34.50 32.69 1nla s PRO 15 CO 0.29 -1.85 1.74 -0.09 0.04 0.00 0.00 177.00 177.13 1nla h ARG 16 N -1.27 1.10 0.37 4.56 2.43 -1.98 -2.37 114.38 117.22 1nla h ARG 16 Ca -0.46 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 58.47 1nla h ARG 16 Cb 1.25 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1nla h ARG 16 CO 0.54 0.92 -0.18 0.93 -1.51 0.00 0.00 179.97 180.67 1nla h GLU 17 N 1.04 -0.48 -0.51 0.20 5.08 -1.99 -1.29 114.58 116.63 1nla h GLU 17 Ca 0.23 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1nla h GLU 17 Cb 0.26 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1nla h GLU 17 CO -0.01 -0.30 0.31 0.28 -1.00 0.00 0.00 179.01 178.29 1nla h VAL 18 N -0.54 1.16 -0.06 3.13 2.07 -1.93 -2.28 116.25 117.81 1nla h VAL 18 Ca -0.05 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 1nla h VAL 18 Cb 0.41 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1nla h VAL 18 CO 0.08 0.16 -0.09 -0.07 0.02 0.00 0.00 177.57 177.67 1nla h LEU 19 N 0.69 0.07 -0.99 2.57 3.38 -1.34 -1.51 115.31 118.19 1nla h LEU 19 Ca 0.18 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1nla h LEU 19 Cb -0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1nla h LEU 19 CO -0.03 0.18 -0.20 -0.78 0.09 0.00 0.00 178.44 177.70 1nla h ASP 20 N 0.08 0.00 0.28 -0.43 1.82 -0.65 -3.16 116.42 114.37 1nla h ASP 20 Ca 0.02 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 56.32 1nla h ASP 20 Cb 0.22 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.22 1nla h ASP 20 CO 0.01 0.20 -1.76 0.25 -1.61 0.00 0.00 179.24 176.33 1nla h LEU 21 N 0.00 0.41 -0.56 2.28 5.85 -1.05 -3.30 115.31 118.94 1nla h LEU 21 Ca -0.00 -0.71 0.05 0.00 0.84 0.00 0.00 57.88 58.06 1nla h LEU 21 Cb 0.78 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 1nla h LEU 21 CO 0.03 1.61 0.29 0.58 -0.34 0.00 0.00 178.44 180.61 1nla h VAL 22 N 0.07 0.96 0.00 1.05 2.07 -1.35 -0.78 116.25 118.27 1nla h VAL 22 Ca -0.33 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 1nla h VAL 22 Cb 2.04 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1nla h VAL 22 CO 0.13 0.10 -0.27 0.08 0.02 0.00 0.00 177.57 177.63 1nla h ARG 23 N 0.56 0.00 0.00 1.57 0.11 -1.70 -1.44 114.38 113.48 1nla h ARG 23 Ca 0.24 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.32 1nla h ARG 23 Cb 0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.22 1nla h ARG 23 CO -0.16 0.27 -0.19 1.17 0.10 0.00 0.00 179.97 181.17 1nla n LYS 24 N -4.19 0.03 -0.08 0.08 4.81 -0.56 -3.44 118.16 114.80 1nla n LYS 24 Ca -0.02 0.02 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 1nla n LYS 24 Cb 0.32 -1.52 -0.16 0.00 0.02 0.00 0.00 35.03 33.69 1nla n LYS 24 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1nla n VAL 25 N -1.57 1.10 0.10 3.15 0.31 -0.41 -3.94 118.33 117.08 1nla n VAL 25 Ca 0.06 -0.78 -0.05 0.00 -0.01 0.00 0.00 64.34 63.56 1nla n VAL 25 Cb 0.35 -0.37 0.02 0.00 -0.91 0.00 0.00 33.84 32.93 1nla n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nla h ALA 26 N 1.19 0.64 0.00 3.52 0.00 -1.38 -3.01 119.26 120.22 1nla h ALA 26 Ca -0.44 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 53.74 1nla h ALA 26 Cb 1.99 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1nla h ALA 26 CO 0.02 0.99 -0.12 -0.85 0.00 0.00 0.00 179.25 179.29 1nla n GLU 27 N -3.60 0.12 -0.08 0.00 0.28 -1.22 -1.78 120.64 114.36 1nla n GLU 27 Ca -0.01 0.08 -0.13 0.00 -0.16 0.00 0.00 57.16 56.94 1nla n GLU 27 Cb 0.78 -1.63 -0.07 0.00 1.43 0.00 0.00 31.44 31.95 1nla n GLU 27 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1nla h GLU 28 N 0.00 0.00 0.00 3.44 4.39 -1.65 -3.35 114.58 117.41 1nla h GLU 28 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1nla h GLU 28 Cb 0.61 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1nla h GLU 28 CO 0.00 0.59 -0.01 -0.91 -1.16 0.00 0.00 179.01 177.51 1nla h ASN 29 N -1.00 0.00 -0.10 1.42 2.35 -1.67 -3.45 115.58 113.13 1nla h ASN 29 Ca -0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1nla h ASN 29 Cb 0.87 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.24 1nla h ASN 29 CO -0.09 0.01 0.00 0.61 -1.65 0.00 0.00 177.43 176.31 1nla n GLY 30 N -1.07 1.23 0.00 2.83 0.00 -1.22 -5.09 105.19 101.86 1nla n GLY 30 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1nla n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nla n ARG 31 N -0.35 0.00 -4.11 1.61 1.74 -0.73 -5.06 116.66 109.76 1nla n ARG 31 Ca 0.00 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.83 1nla n ARG 31 Cb 0.07 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.45 1nla n ARG 31 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1nla s SER 32 N 1.08 4.46 0.45 0.55 1.04 -1.26 -4.31 113.70 115.70 1nla s SER 32 Ca 0.00 -1.12 0.25 0.00 0.48 0.00 0.00 55.95 55.55 1nla s SER 32 Cb 0.00 -0.30 0.88 0.00 0.10 0.00 0.00 66.02 66.70 1nla s SER 32 CO 0.00 -0.64 1.80 0.58 0.98 0.00 0.00 173.24 175.96 1nla h VAL 33 N 1.31 0.44 0.00 5.02 2.07 -1.88 -1.80 116.25 121.41 1nla h VAL 33 Ca -0.42 -1.10 -0.10 0.00 0.82 0.00 0.00 66.70 65.90 1nla h VAL 33 Cb 1.26 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.81 1nla h VAL 33 CO 0.68 0.19 -0.50 -1.13 0.02 0.00 0.00 177.57 176.83 1nla h ASN 34 N 0.00 0.00 0.66 0.57 -0.73 -1.98 -2.33 115.58 111.77 1nla h ASN 34 Ca -0.00 0.00 -0.25 0.00 1.87 0.00 0.00 56.30 57.91 1nla h ASN 34 Cb 0.78 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.33 1nla h ASN 34 CO 0.03 0.50 -1.48 0.28 -0.37 0.00 0.00 177.43 176.38 1nla h SER 35 N 0.00 0.00 0.75 1.15 0.02 -1.89 -3.10 113.55 110.48 1nla h SER 35 Ca -0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1nla h SER 35 Cb 0.89 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.44 1nla h SER 35 CO 0.06 0.93 -0.36 -0.08 -1.14 0.00 0.00 176.83 176.25 1nla h GLU 36 N 0.00 -0.97 0.00 3.45 4.81 -1.15 -1.22 114.58 119.50 1nla h GLU 36 Ca -0.20 0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1nla h GLU 36 Cb 1.89 0.22 -0.00 0.00 0.63 0.00 0.00 28.75 31.49 1nla h GLU 36 CO 0.09 -0.64 -0.00 0.82 -0.73 0.00 0.00 179.01 178.54 1nla h ILE 37 N -1.23 0.26 -0.05 2.32 1.08 -1.59 -0.76 117.51 117.54 1nla h ILE 37 Ca -0.10 -0.03 -0.17 0.00 -0.39 0.00 0.00 64.86 64.17 1nla h ILE 37 Cb 0.79 1.02 -0.01 0.00 -3.07 0.00 0.00 36.82 35.55 1nla h ILE 37 CO 0.17 0.00 -0.72 0.22 -0.69 0.00 0.00 178.15 177.13 1nla h TYR 38 N 0.00 0.35 0.04 1.37 3.20 -1.36 -2.43 116.97 118.15 1nla h TYR 38 Ca -0.00 -0.16 -0.11 0.00 3.14 0.00 0.00 58.73 61.60 1nla h TYR 38 Cb 0.02 -0.05 0.01 0.00 1.54 0.00 0.00 36.73 38.25 1nla h TYR 38 CO 0.00 0.89 -0.45 0.37 -1.64 0.00 0.00 178.16 177.33 1nla h GLN 39 N 0.18 0.23 0.00 1.82 5.75 0.06 -1.07 115.11 122.07 1nla h GLN 39 Ca -0.02 -0.31 -0.01 0.00 -0.15 0.00 0.00 58.65 58.16 1nla h GLN 39 Cb 1.28 0.10 -0.00 0.00 1.07 0.00 0.00 27.48 29.93 1nla h GLN 39 CO 0.11 1.07 -0.04 0.00 -2.65 0.00 0.00 178.83 177.32 1nla h ARG 40 N -0.46 0.00 0.00 1.69 3.08 -1.49 -1.79 114.38 115.41 1nla h ARG 40 Ca -0.07 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.71 1nla h ARG 40 Cb 1.26 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.27 1nla h ARG 40 CO 0.09 0.04 -1.59 0.28 -1.07 0.00 0.00 179.97 177.72 1nla h VAL 41 N 0.00 0.96 0.19 2.04 2.07 -1.43 -3.27 116.25 116.81 1nla h VAL 41 Ca -0.00 -2.78 -0.01 0.00 0.82 0.00 0.00 66.70 64.73 1nla h VAL 41 Cb 0.10 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1nla h VAL 41 CO 0.01 0.55 -0.09 -0.03 0.02 0.00 0.00 177.57 178.02 1nla h MET 42 N 0.00 -0.25 -0.03 1.57 4.05 -0.31 -2.97 114.93 117.00 1nla h MET 42 Ca -0.24 0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.21 1nla h MET 42 Cb 1.96 0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 32.81 1nla h MET 42 CO 0.09 -0.17 0.22 1.05 0.23 0.00 0.00 176.91 178.32 1nla h GLU 43 N -0.32 0.00 0.37 0.39 4.11 -1.71 -2.19 114.58 115.23 1nla h GLU 43 Ca -0.03 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.39 1nla h GLU 43 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1nla h GLU 43 CO 0.04 0.00 -0.18 1.03 0.07 0.00 0.00 179.01 179.98 1nla h SER 44 N 0.00 -0.42 -0.02 3.06 0.87 -1.57 -1.74 113.55 113.73 1nla h SER 44 Ca 0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1nla h SER 44 Cb 0.44 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1nla h SER 44 CO -0.00 -0.28 0.00 -0.26 -0.53 0.00 0.00 176.83 175.76 1nla h PHE 45 N -0.51 0.06 -0.02 2.24 0.04 -1.35 -1.53 116.94 115.87 1nla h PHE 45 Ca -0.05 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.62 1nla h PHE 45 Cb 0.39 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 1nla h PHE 45 CO -0.05 0.06 -0.45 -0.22 -0.60 0.00 0.00 178.31 177.05 1nla h LYS 46 N 0.06 0.05 0.00 1.51 3.64 -1.37 -1.46 116.57 118.99 1nla h LYS 46 Ca 0.02 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 1nla h LYS 46 Cb 0.04 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1nla h LYS 46 CO -0.00 0.49 -0.33 0.87 -2.27 0.00 0.00 179.45 178.21 1nla h LYS 47 N 0.04 0.00 0.00 1.90 1.79 -0.41 -2.84 116.57 117.04 1nla h LYS 47 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1nla h LYS 47 Cb 0.82 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.47 1nla h LYS 47 CO 0.06 0.33 -1.35 -1.91 -1.08 0.00 0.00 179.45 175.50 1nla n GLU 48 N -4.09 0.50 -0.70 3.15 2.13 -1.08 -4.96 120.64 115.60 1nla n GLU 48 Ca -0.02 -0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.77 1nla n GLU 48 Cb 0.37 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.45 1nla n GLU 48 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nla n GLY 49 N 1.28 0.59 0.31 8.31 0.00 -0.60 -4.93 105.19 110.14 1nla n GLY 49 Ca -0.01 -0.57 0.06 0.00 0.00 0.00 0.00 46.02 45.50 1nla n GLY 49 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1nla h ARG 50 N 0.48 0.44 0.00 1.61 9.65 -1.72 -3.28 114.38 121.56 1nla h ARG 50 Ca 0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1nla h ARG 50 Cb 0.00 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.48 1nla h ARG 50 CO 0.00 0.29 -0.35 -0.89 2.80 0.00 0.00 179.97 181.82 1nla n ILE 51 N -4.48 0.92 0.00 1.20 5.41 -1.26 -5.03 119.36 116.12 1nla n ILE 51 Ca 0.03 0.31 0.00 0.00 1.00 0.00 0.00 62.75 64.10 1nla n ILE 51 Cb 0.11 -2.08 0.00 0.00 -0.71 0.00 0.00 39.64 36.96 1nla n ILE 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1nla n GLY 52 N 1.65 3.35 0.00 7.39 0.00 -1.24 -5.16 105.19 111.18 1nla n GLY 52 Ca -0.05 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1nla n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32