#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u57 n GLU 2 N 0.00 2.71 0.00 3.23 1.02 -1.26 -4.76 120.64 121.58 1u57 n GLU 2 Ca 0.00 -2.42 0.01 0.00 -0.02 0.00 0.00 57.16 54.73 1u57 n GLU 2 Cb 0.00 -3.17 0.09 0.00 -0.02 0.00 0.00 31.44 28.34 1u57 n GLU 2 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1u57 n GLU 3 N 5.95 0.64 0.12 3.49 0.28 -1.26 -1.97 120.64 127.89 1u57 n GLU 3 Ca 0.54 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 57.31 1u57 n GLU 3 Cb 0.37 -1.07 -0.16 0.00 1.43 0.00 0.00 31.44 32.01 1u57 n GLU 3 CO 0.00 0.00 0.00 1.98 -0.16 0.00 0.00 177.13 178.95 1u57 h MET 4 N 0.00 0.47 -0.51 3.44 4.05 -1.98 -1.55 114.93 118.85 1u57 h MET 4 Ca 0.00 -0.80 -0.10 0.00 -0.28 0.00 0.00 59.70 58.52 1u57 h MET 4 Cb 0.00 0.30 -0.02 0.00 -0.80 0.00 0.00 31.60 31.08 1u57 h MET 4 CO 0.00 1.38 -0.07 0.52 0.23 0.00 0.00 176.91 178.97 1u57 h MET 5 N -0.01 0.91 -0.36 0.39 2.86 -1.68 -0.22 114.93 116.82 1u57 h MET 5 Ca -0.23 -0.30 -0.16 0.00 -2.06 0.00 0.00 59.70 56.94 1u57 h MET 5 Cb 2.02 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 33.60 1u57 h MET 5 CO 0.24 0.95 -0.42 1.15 1.06 0.00 0.00 176.91 179.88 1u57 h THR 6 N 0.82 1.27 0.58 2.22 2.02 -1.63 -2.34 112.91 115.85 1u57 h THR 6 Ca 0.14 -1.60 -0.03 0.00 0.77 0.00 0.00 66.41 65.69 1u57 h THR 6 Cb 0.59 1.44 0.01 0.00 -1.74 0.00 0.00 68.15 68.45 1u57 h THR 6 CO 0.04 0.53 -0.28 0.00 0.37 0.00 0.00 175.52 176.18 1u57 h ALA 7 N 0.78 -1.00 -0.72 6.16 0.00 -1.16 -3.29 119.26 120.04 1u57 h ALA 7 Ca 0.05 -0.17 -0.75 0.00 0.00 0.00 0.00 54.91 54.04 1u57 h ALA 7 Cb 1.02 0.30 -0.13 0.00 0.00 0.00 0.00 17.79 18.98 1u57 h ALA 7 CO 0.10 -0.94 2.31 0.00 0.00 0.00 0.00 179.25 180.72 1u57 n GLN 9 N 2.16 3.72 0.00 0.00 7.27 -0.88 -3.53 117.38 126.12 1u57 n GLN 9 Ca 0.57 -2.92 0.00 0.00 0.07 0.00 0.00 57.00 54.72 1u57 n GLN 9 Cb 0.27 -2.90 0.00 0.00 2.41 0.00 0.00 30.24 30.03 1u57 n GLN 9 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1u57 n GLY 10 N 3.04 -0.56 0.18 1.69 0.00 -1.26 -5.07 105.19 103.21 1u57 n GLY 10 Ca 0.60 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.66 1u57 n GLY 10 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1u57 h VAL 11 N 0.00 1.36 0.00 1.61 3.04 -1.95 -3.47 116.25 116.84 1u57 h VAL 11 Ca 0.00 -2.14 0.00 0.00 -1.01 0.00 0.00 66.70 63.55 1u57 h VAL 11 Cb 0.00 2.12 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 1u57 h VAL 11 CO 0.00 0.65 0.00 0.61 -1.01 0.00 0.00 177.57 177.82 1u57 n GLY 12 N 0.64 1.34 7.00 3.17 0.00 -1.26 -5.06 105.19 111.01 1u57 n GLY 12 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1u57 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u57 n GLY 13 N 0.00 -1.94 0.06 -0.02 0.00 -1.26 -3.17 105.19 98.86 1u57 n GLY 13 Ca 0.00 -1.37 -0.11 0.00 0.00 0.00 0.00 46.02 44.54 1u57 n GLY 13 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1u57 h PRO 14 N 0.00 -0.00 0.26 1.61 0.11 -2.01 -3.11 132.00 128.86 1u57 h PRO 14 Ca 0.00 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.12 1u57 h PRO 14 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 1u57 h PRO 14 CO 0.00 -0.00 -0.43 0.78 -0.21 0.00 0.00 178.00 178.13 1u57 h GLY 15 N -0.00 -0.96 -6.46 -0.55 0.00 -1.99 -0.71 103.07 92.39 1u57 h GLY 15 Ca 0.03 0.51 -0.77 0.00 0.00 0.00 0.00 47.33 47.10 1u57 h GLY 15 CO -0.06 -0.30 1.74 1.57 0.00 0.00 0.00 176.54 179.49 1u57 n HIS 16 N -5.49 2.70 0.00 5.60 -0.00 -1.18 -0.73 115.22 116.12 1u57 n HIS 16 Ca -0.09 -2.73 0.00 0.00 -0.00 0.00 0.00 57.72 54.91 1u57 n HIS 16 Cb 0.40 -1.74 0.00 0.00 -0.00 0.00 0.00 29.99 28.65 1u57 n HIS 16 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 1u57 n LYS 17 N 2.87 0.00 -0.06 1.57 3.00 -1.07 -4.06 118.16 120.41 1u57 n LYS 17 Ca 0.39 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.65 1u57 n LYS 17 Cb 0.34 -0.00 0.15 0.00 0.00 0.00 0.00 35.03 35.51 1u57 n LYS 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1u57 h ALA 18 N 0.00 1.01 -0.22 3.14 0.00 -0.83 0.50 119.26 122.87 1u57 h ALA 18 Ca 0.00 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 1u57 h ALA 18 Cb 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1u57 h ALA 18 CO 0.00 0.59 -0.33 -0.09 0.00 0.00 0.00 179.25 179.42 1u57 h ARG 19 N 0.61 0.62 -0.69 0.00 2.43 -1.17 -0.80 114.38 115.37 1u57 h ARG 19 Ca 0.10 -0.36 -0.03 0.00 -0.81 0.00 0.00 59.98 58.87 1u57 h ARG 19 Cb 0.63 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.19 1u57 h ARG 19 CO 0.04 0.97 0.30 0.28 -1.51 0.00 0.00 179.97 180.06 1u57 h VAL 20 N 0.31 1.24 0.32 0.20 2.07 -1.78 -0.52 116.25 118.10 1u57 h VAL 20 Ca 0.02 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1u57 h VAL 20 Cb 0.91 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1u57 h VAL 20 CO 0.08 0.29 -0.16 0.25 0.02 0.00 0.00 177.57 178.05 1u57 h LEU 21 N 0.98 -0.37 -1.13 2.57 5.85 -0.87 -1.65 115.31 120.68 1u57 h LEU 21 Ca 0.23 -0.07 0.21 0.00 0.84 0.00 0.00 57.88 59.09 1u57 h LEU 21 Cb 0.17 0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.19 1u57 h LEU 21 CO -0.02 -0.16 0.62 0.00 -0.34 0.00 0.00 178.44 178.53 1u57 h ALA 22 N 0.07 1.84 -0.20 1.25 0.00 -0.74 0.30 119.26 121.78 1u57 h ALA 22 Ca -0.04 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1u57 h ALA 22 Cb 0.41 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1u57 h ALA 22 CO 0.07 -0.21 0.06 1.49 0.00 0.00 0.00 179.25 180.67 1u57 h GLU 23 N 0.65 0.32 -0.26 0.00 4.81 -0.92 -1.81 114.58 117.37 1u57 h GLU 23 Ca 0.57 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.61 1u57 h GLU 23 Cb 1.04 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1u57 h GLU 23 CO -0.34 0.42 -0.35 0.00 -0.73 0.00 0.00 179.01 178.00 1u57 h ALA 24 N 0.89 0.91 0.00 2.92 0.00 0.01 -1.01 119.26 122.97 1u57 h ALA 24 Ca 0.07 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1u57 h ALA 24 Cb 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1u57 h ALA 24 CO -0.00 0.63 0.00 -1.33 0.00 0.00 0.00 179.25 178.54 1u57 n MET 25 N -4.06 0.62 -0.01 0.00 2.81 0.86 -0.45 117.12 116.90 1u57 n MET 25 Ca -0.01 0.02 0.09 0.00 -1.81 0.00 0.00 57.70 55.99 1u57 n MET 25 Cb 0.48 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.36 1u57 n MET 25 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1u57 n SER 26 N -1.14 0.84 -0.13 7.83 7.64 -0.68 -4.35 113.62 123.64 1u57 n SER 26 Ca 0.17 -0.08 -0.27 0.00 1.01 0.00 0.00 58.87 59.70 1u57 n SER 26 Cb 0.15 1.76 -0.11 0.00 -1.01 0.00 0.00 64.21 65.00 1u57 n SER 26 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1u57 n GLN 27 N -2.07 0.59 -0.01 1.43 7.27 -0.47 -3.81 117.38 120.31 1u57 n GLN 27 Ca -0.03 0.34 -0.13 0.00 0.07 0.00 0.00 57.00 57.26 1u57 n GLN 27 Cb 0.46 -1.57 -0.08 0.00 2.41 0.00 0.00 30.24 31.46 1u57 n GLN 27 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1u57 h VAL 28 N -0.92 1.27 -0.59 1.69 2.07 -1.03 -0.34 116.25 118.39 1u57 h VAL 28 Ca -0.60 -0.83 0.11 0.00 0.82 0.00 0.00 66.70 66.20 1u57 h VAL 28 Cb 1.56 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 33.06 1u57 h VAL 28 CO -0.34 0.22 0.40 0.74 0.02 0.00 0.00 177.57 178.62 1u57 h THR 29 N -0.26 0.86 -0.09 2.57 2.02 -1.76 0.23 112.91 116.49 1u57 h THR 29 Ca 0.01 -0.12 -0.16 0.00 0.77 0.00 0.00 66.41 66.91 1u57 h THR 29 Cb 0.36 0.49 0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1u57 h THR 29 CO 0.00 0.06 -0.58 -1.13 0.37 0.00 0.00 175.52 174.25 1u57 h ASN 30 N 0.35 0.66 -0.49 4.18 -0.00 -1.55 0.67 115.58 119.40 1u57 h ASN 30 Ca 0.28 -0.66 0.02 0.00 -0.00 0.00 0.00 56.30 55.94 1u57 h ASN 30 Cb 0.63 -0.20 -0.03 0.00 -0.00 0.00 0.00 38.32 38.73 1u57 h ASN 30 CO -0.07 1.22 0.33 0.28 -0.00 0.00 0.00 177.43 179.19 1u57 h SER 31 N 0.15 0.50 1.12 1.15 0.02 -0.05 0.12 113.55 116.56 1u57 h SER 31 Ca -0.05 -0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.71 1u57 h SER 31 Cb 1.23 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.62 1u57 h SER 31 CO 0.12 0.35 -0.88 0.00 -1.14 0.00 0.00 176.83 175.28 1u57 h ALA 32 N 1.71 0.43 -0.23 3.77 0.00 -0.94 -3.16 119.26 120.84 1u57 h ALA 32 Ca 0.19 -0.80 -0.07 0.00 0.00 0.00 0.00 54.91 54.23 1u57 h ALA 32 Cb 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1u57 h ALA 32 CO -0.05 1.10 -0.15 0.00 0.00 0.00 0.00 179.25 180.16 1u57 h THR 33 N 0.00 1.22 -0.54 0.00 1.03 0.45 -0.63 112.91 114.45 1u57 h THR 33 Ca -0.01 -0.97 -0.02 0.00 -0.01 0.00 0.00 66.41 65.40 1u57 h THR 33 Cb 1.68 1.21 -0.03 0.00 -1.07 0.00 0.00 68.15 69.94 1u57 h THR 33 CO 0.11 0.31 0.25 0.40 -0.01 0.00 0.00 175.52 176.58 1u57 h ILE 34 N 0.36 1.19 -0.42 0.00 2.04 -1.00 -0.74 117.51 118.93 1u57 h ILE 34 Ca 0.07 -0.54 -0.06 0.00 1.00 0.00 0.00 64.86 65.32 1u57 h ILE 34 Cb 0.47 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1u57 h ILE 34 CO 0.03 0.22 0.01 0.24 0.00 0.00 0.00 178.15 178.65 1u57 h MET 35 N 0.76 0.73 -0.12 2.37 2.86 -1.12 0.47 114.93 120.88 1u57 h MET 35 Ca 0.19 -0.23 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 1u57 h MET 35 Cb 0.10 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1u57 h MET 35 CO -0.02 0.80 -0.29 0.00 1.06 0.00 0.00 176.91 178.46 1u57 h MET 36 N 0.57 0.22 0.01 1.72 -0.00 -0.97 -2.90 114.93 113.59 1u57 h MET 36 Ca 0.12 -0.08 -0.24 0.00 -0.00 0.00 0.00 59.70 59.50 1u57 h MET 36 Cb 0.46 -0.02 -0.03 0.00 -0.00 0.00 0.00 31.60 32.01 1u57 h MET 36 CO 0.02 0.50 -1.26 0.37 -0.00 0.00 0.00 176.91 176.54 1u57 h GLN 37 N 0.20 0.03 -6.38 -0.10 4.15 -0.92 -3.42 115.11 108.67 1u57 h GLN 37 Ca 0.03 -0.05 -0.54 0.00 0.77 0.00 0.00 58.65 58.86 1u57 h GLN 37 Cb 0.62 0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.34 1u57 h GLN 37 CO 0.04 0.87 1.05 0.50 -1.93 0.00 0.00 178.83 179.36 1u57 s ARG 38 N -2.67 4.19 0.00 1.69 6.06 0.16 -0.46 118.95 127.92 1u57 s ARG 38 Ca -0.02 2.30 0.00 0.00 -2.50 0.00 0.00 55.73 55.51 1u57 s ARG 38 Cb 0.09 -3.78 0.00 0.00 0.06 0.00 0.00 34.95 31.32 1u57 s ARG 38 CO 0.83 -0.79 0.00 0.41 -2.50 0.00 0.00 175.30 173.25 1u57 n GLY 39 N 4.08 2.84 0.08 8.12 0.00 -1.26 -4.85 105.19 114.19 1u57 n GLY 39 Ca 0.17 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 1u57 n GLY 39 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1u57 h ASN 40 N 0.00 -0.03 -0.66 1.61 -0.73 -1.03 -3.17 115.58 111.56 1u57 h ASN 40 Ca 0.00 -0.65 0.14 0.00 1.87 0.00 0.00 56.30 57.66 1u57 h ASN 40 Cb 0.00 0.01 -0.12 0.00 0.27 0.00 0.00 38.32 38.48 1u57 h ASN 40 CO 0.00 0.67 -0.09 2.19 -0.37 0.00 0.00 177.43 179.83 1u57 h PHE 41 N -0.78 -0.22 -0.34 0.67 -0.00 -1.52 0.44 116.94 115.19 1u57 h PHE 41 Ca -0.00 0.06 0.07 0.00 -0.00 0.00 0.00 57.97 58.10 1u57 h PHE 41 Cb 0.69 0.20 -0.08 0.00 -0.00 0.00 0.00 35.95 36.75 1u57 h PHE 41 CO 0.17 -0.25 -0.28 -0.09 -0.00 0.00 0.00 178.31 177.86 1u57 h ARG 42 N 0.04 -0.23 -0.40 6.09 1.12 -1.84 -2.97 114.38 116.21 1u57 h ARG 42 Ca 0.34 0.02 -0.14 0.00 -1.11 0.00 0.00 59.98 59.08 1u57 h ARG 42 Cb 0.54 0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.54 1u57 h ARG 42 CO -0.64 -0.15 -0.29 -0.97 -3.11 0.00 0.00 179.97 174.81 1u57 h ASN 43 N -0.24 0.94 -2.70 -3.80 -0.73 -1.07 -3.46 115.58 104.52 1u57 h ASN 43 Ca 0.16 -0.44 -0.37 0.00 1.87 0.00 0.00 56.30 57.53 1u57 h ASN 43 Cb 0.50 -0.26 0.20 0.00 0.27 0.00 0.00 38.32 39.03 1u57 h ASN 43 CO -0.48 1.18 -0.31 0.00 -0.37 0.00 0.00 177.43 177.45 1u57 n GLN 44 N -4.14 -3.24 -2.62 6.67 1.13 -0.02 -4.63 117.38 110.52 1u57 n GLN 44 Ca -0.02 -0.95 -0.00 0.00 -1.94 0.00 0.00 57.00 54.10 1u57 n GLN 44 Cb 0.49 -1.87 0.00 0.00 0.11 0.00 0.00 30.24 28.97 1u57 n GLN 44 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1u57 n ARG 45 N -4.23 -0.96 0.00 -1.09 5.12 -1.26 -5.02 116.66 109.22 1u57 n ARG 45 Ca 0.07 1.22 0.00 0.00 -1.93 0.00 0.00 57.85 57.21 1u57 n ARG 45 Cb 0.54 -4.57 0.00 0.00 -1.16 0.00 0.00 32.46 27.27 1u57 n ARG 45 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1u57 n LYS 46 N -1.55 0.00 -2.05 5.56 4.76 -1.26 -4.76 118.16 118.87 1u57 n LYS 46 Ca 0.00 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.05 1u57 n LYS 46 Cb 0.50 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.66 1u57 n LYS 46 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1u57 n ILE 47 N 0.00 2.93 1.56 -0.18 2.08 -1.26 -5.28 119.36 119.21 1u57 n ILE 47 Ca 0.00 -2.90 0.12 0.00 0.56 0.00 0.00 62.75 60.54 1u57 n ILE 47 Cb 0.00 -2.34 0.74 0.00 -0.75 0.00 0.00 39.64 37.29 1u57 n ILE 47 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63