#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q86 n PRO 13 N 0.00 1.93 -0.07 0.38 -0.02 -1.26 -4.88 135.00 131.08 1q86 n PRO 13 Ca 0.00 0.69 -0.14 0.00 -2.02 0.00 0.00 63.50 62.03 1q86 n PRO 13 Cb 0.00 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.12 1q86 n PRO 13 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1q86 h GLU 14 N 3.83 0.60 -0.25 -0.52 5.08 -2.05 -2.87 114.58 118.40 1q86 h GLU 14 Ca -0.45 -0.34 0.07 0.00 -1.00 0.00 0.00 59.36 57.64 1q86 h GLU 14 Cb 1.29 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1q86 h GLU 14 CO 0.73 0.95 0.22 0.11 -1.00 0.00 0.00 179.01 180.02 1q86 h TRP 15 N 0.29 0.00 0.00 4.33 5.08 -1.99 0.56 115.95 124.23 1q86 h TRP 15 Ca 0.03 0.00 -0.19 0.00 1.08 0.00 0.00 58.89 59.81 1q86 h TRP 15 Cb 0.87 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.01 1q86 h TRP 15 CO 0.08 0.00 -0.85 0.87 -1.28 0.00 0.00 178.44 177.26 1q86 h LYS 16 N 0.00 0.11 -0.04 0.12 1.57 -1.90 -1.10 116.57 115.33 1q86 h LYS 16 Ca 0.12 -0.12 -0.20 0.00 -1.87 0.00 0.00 60.65 58.57 1q86 h LYS 16 Cb 0.56 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 1q86 h LYS 16 CO -0.00 0.89 -0.84 1.96 -0.57 0.00 0.00 179.45 180.89 1q86 h GLN 17 N 0.06 0.39 -0.19 3.15 4.20 0.14 -2.41 115.11 120.45 1q86 h GLN 17 Ca -0.03 -0.38 -0.17 0.00 0.06 0.00 0.00 58.65 58.13 1q86 h GLN 17 Cb 1.48 0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.36 1q86 h GLN 17 CO 0.12 1.03 -0.56 0.93 -0.67 0.00 0.00 178.83 179.68 1q86 h GLU 18 N 0.24 0.72 0.04 1.46 5.08 -0.49 -3.00 114.58 118.63 1q86 h GLU 18 Ca -0.05 -0.52 -0.00 0.00 -1.00 0.00 0.00 59.36 57.79 1q86 h GLU 18 Cb 1.45 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.79 1q86 h GLU 18 CO 0.14 1.14 -0.02 1.49 -1.00 0.00 0.00 179.01 180.76 1q86 h GLU 19 N 0.43 -0.05 -0.39 2.33 4.57 -1.22 0.54 114.58 120.79 1q86 h GLU 19 Ca -0.02 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.28 1q86 h GLU 19 Cb 1.18 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.77 1q86 h GLU 19 CO 0.12 -0.03 0.45 0.28 -1.18 0.00 0.00 179.01 178.65 1q86 h VAL 20 N -0.05 0.34 0.00 0.32 2.07 -1.44 0.16 116.25 117.66 1q86 h VAL 20 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1q86 h VAL 20 Cb 0.04 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1q86 h VAL 20 CO 0.01 0.00 -0.06 0.44 0.02 0.00 0.00 177.57 177.97 1q86 h ASP 21 N 0.00 0.00 -0.65 0.57 3.32 -0.93 -2.68 116.42 116.05 1q86 h ASP 21 Ca 0.18 -0.66 0.09 0.00 0.02 0.00 0.00 57.03 56.66 1q86 h ASP 21 Cb 1.08 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.59 1q86 h ASP 21 CO -0.00 0.87 0.43 0.00 -1.72 0.00 0.00 179.24 178.82 1q86 h ALA 22 N -0.34 1.89 -0.01 3.45 0.00 0.23 0.13 119.26 124.62 1q86 h ALA 22 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1q86 h ALA 22 Cb 0.70 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1q86 h ALA 22 CO -0.01 -0.02 -0.01 0.82 0.00 0.00 0.00 179.25 180.03 1q86 h ILE 23 N 0.54 1.34 0.00 0.00 2.04 -0.85 -2.28 117.51 118.30 1q86 h ILE 23 Ca 0.30 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 1q86 h ILE 23 Cb 0.44 2.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1q86 h ILE 23 CO -0.09 0.26 -0.00 0.58 0.00 0.00 0.00 178.15 178.90 1q86 h VAL 24 N -0.40 0.53 0.29 1.67 2.07 -1.00 0.25 116.25 119.66 1q86 h VAL 24 Ca 0.00 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1q86 h VAL 24 Cb 0.43 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1q86 h VAL 24 CO 0.00 0.00 -0.14 -0.33 0.02 0.00 0.00 177.57 177.13 1q86 h GLU 25 N 0.00 -0.37 -0.03 1.57 5.08 -0.66 -0.45 114.58 119.72 1q86 h GLU 25 Ca -0.00 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1q86 h GLU 25 Cb 0.01 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1q86 h GLU 25 CO 0.00 -0.03 -0.05 0.52 -1.00 0.00 0.00 179.01 178.45 1q86 h MET 26 N -0.88 0.05 0.00 2.33 2.86 -1.03 0.21 114.93 118.47 1q86 h MET 26 Ca -0.04 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.53 1q86 h MET 26 Cb 0.52 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1q86 h MET 26 CO 0.06 0.11 -0.31 0.82 1.06 0.00 0.00 176.91 178.65 1q86 h ILE 27 N 0.05 1.02 0.09 -1.22 2.04 -0.84 -2.94 117.51 115.71 1q86 h ILE 27 Ca 0.01 -1.16 -0.27 0.00 1.00 0.00 0.00 64.86 64.45 1q86 h ILE 27 Cb 0.13 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1q86 h ILE 27 CO 0.01 0.31 -1.25 -0.33 0.00 0.00 0.00 178.15 176.88 1q86 h GLU 28 N 0.00 0.20 0.00 2.37 5.08 0.11 -3.50 114.58 118.84 1q86 h GLU 28 Ca -0.00 -0.34 -0.29 0.00 -1.00 0.00 0.00 59.36 57.73 1q86 h GLU 28 Cb 0.64 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.96 1q86 h GLU 28 CO 0.04 1.13 -2.09 -1.13 -1.00 0.00 0.00 179.01 175.96 1q86 n SER 29 N -3.46 2.00 0.00 1.42 3.41 -0.44 -5.09 113.62 111.46 1q86 n SER 29 Ca -0.08 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 1q86 n SER 29 Cb 1.01 0.13 0.00 0.00 -0.26 0.00 0.00 64.21 65.09 1q86 n SER 29 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1q86 n ARG 63 N -2.88 0.00 -0.09 4.33 1.74 -1.26 -5.05 116.66 113.44 1q86 n ARG 63 Ca -0.31 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 56.84 1q86 n ARG 63 Cb 0.92 0.00 0.42 0.00 -1.02 0.00 0.00 32.46 32.78 1q86 n ARG 63 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1q86 h ASN 64 N 0.00 0.50 0.19 0.55 -0.26 -2.05 -0.37 115.58 114.14 1q86 h ASN 64 Ca 0.00 -0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.63 1q86 h ASN 64 Cb 0.00 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.14 1q86 h ASN 64 CO 0.00 0.33 -0.40 0.71 -1.06 0.00 0.00 177.43 177.02 1q86 h THR 65 N 0.58 1.30 0.00 2.81 1.35 -2.04 0.15 112.91 117.06 1q86 h THR 65 Ca 0.25 -1.50 -0.19 0.00 -0.55 0.00 0.00 66.41 64.42 1q86 h THR 65 Cb 0.24 1.65 -0.02 0.00 -1.73 0.00 0.00 68.15 68.28 1q86 h THR 65 CO -0.07 0.45 -0.89 -0.07 -0.25 0.00 0.00 175.52 174.69 1q86 h LEU 66 N 0.24 0.03 0.18 3.87 3.38 -1.55 -1.91 115.31 119.55 1q86 h LEU 66 Ca 0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1q86 h LEU 66 Cb 0.81 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1q86 h LEU 66 CO 0.06 0.90 -0.09 -0.07 0.09 0.00 0.00 178.44 179.34 1q86 h LEU 67 N 0.01 -0.20 -1.92 1.67 3.38 -0.94 -1.21 115.31 116.10 1q86 h LEU 67 Ca -0.01 -0.31 0.32 0.00 0.09 0.00 0.00 57.88 57.96 1q86 h LEU 67 Cb 1.57 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 42.32 1q86 h LEU 67 CO 0.12 0.34 0.78 -0.33 0.09 0.00 0.00 178.44 179.44 1q86 h GLU 68 N -0.90 0.05 0.46 1.13 5.08 -0.77 0.31 114.58 119.94 1q86 h GLU 68 Ca -0.02 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1q86 h GLU 68 Cb 0.50 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1q86 h GLU 68 CO 0.04 0.03 -0.22 -0.09 -1.00 0.00 0.00 179.01 177.77 1q86 h ARG 69 N 0.05 -0.60 -0.99 2.33 9.65 -1.17 -2.26 114.38 121.39 1q86 h ARG 69 Ca 0.54 0.04 0.20 0.00 -1.10 0.00 0.00 59.98 59.66 1q86 h ARG 69 Cb 2.05 0.14 -0.11 0.00 -1.39 0.00 0.00 29.97 30.65 1q86 h ARG 69 CO -0.04 -0.40 0.59 0.00 2.80 0.00 0.00 179.97 182.92 1q86 h ALA 70 N -1.38 1.65 -0.13 2.80 0.00 0.36 0.11 119.26 122.69 1q86 h ALA 70 Ca -0.06 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1q86 h ALA 70 Cb 0.47 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1q86 h ALA 70 CO 0.10 -0.10 0.04 -0.07 0.00 0.00 0.00 179.25 179.22 1q86 h LEU 71 N 0.71 0.03 0.00 0.00 3.38 -0.52 -0.02 115.31 118.89 1q86 h LEU 71 Ca 0.58 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.57 1q86 h LEU 71 Cb 0.95 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1q86 h LEU 71 CO -0.41 0.04 0.00 0.47 0.09 0.00 0.00 178.44 178.63 1q86 n ASP 72 N -5.07 0.00 -0.10 -0.43 8.00 0.37 -5.10 116.55 114.22 1q86 n ASP 72 Ca -0.04 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.47 1q86 n ASP 72 Cb 0.06 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.17 1q86 n ASP 72 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28