#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q86 n VAL 2 N 0.00 0.37 -3.81 1.08 0.31 -1.26 -3.46 118.33 111.56 1q86 n VAL 2 Ca 0.00 0.74 -0.29 0.00 -0.01 0.00 0.00 64.34 64.78 1q86 n VAL 2 Cb 0.00 -1.74 -0.16 0.00 -0.91 0.00 0.00 33.84 31.03 1q86 n VAL 2 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1q86 s LEU 3 N -3.86 2.23 0.54 7.52 2.96 -1.26 -5.13 118.68 121.68 1q86 s LEU 3 Ca -0.01 -1.32 -0.04 0.00 -0.22 0.00 0.00 54.13 52.53 1q86 s LEU 3 Cb 0.02 -0.94 -0.00 0.00 0.50 0.00 0.00 46.19 45.78 1q86 s LEU 3 CO 0.07 -0.33 0.83 -1.00 -1.32 0.00 0.00 176.35 174.60 1q86 s HIS 4 N 1.57 3.29 0.16 5.38 3.76 -1.22 -4.99 115.29 123.23 1q86 s HIS 4 Ca 0.03 0.57 -0.16 0.00 -0.15 0.00 0.00 55.06 55.34 1q86 s HIS 4 Cb -0.18 -2.57 0.02 0.00 1.11 0.00 0.00 32.58 30.96 1q86 s HIS 4 CO -0.14 -0.63 1.81 0.28 -0.85 0.00 0.00 174.74 175.21 1q86 h VAL 5 N 0.02 1.12 -0.13 -0.90 2.07 -1.99 -2.74 116.25 113.70 1q86 h VAL 5 Ca -0.46 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 66.87 1q86 h VAL 5 Cb 1.25 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 1q86 h VAL 5 CO 0.60 0.12 -0.18 1.56 0.02 0.00 0.00 177.57 179.68 1q86 h GLN 6 N 0.58 -0.22 -0.77 1.57 4.20 -1.98 -1.02 115.11 117.47 1q86 h GLN 6 Ca 0.16 0.02 0.16 0.00 0.06 0.00 0.00 58.65 59.05 1q86 h GLN 6 Cb -0.05 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.73 1q86 h GLN 6 CO -0.03 -0.15 0.52 0.93 -0.67 0.00 0.00 178.83 179.43 1q86 h GLU 7 N -0.23 0.35 0.00 1.46 5.08 -1.93 0.22 114.58 119.53 1q86 h GLU 7 Ca 0.10 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 1q86 h GLU 7 Cb 0.37 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1q86 h GLU 7 CO -0.26 0.23 -0.44 0.82 -1.00 0.00 0.00 179.01 178.36 1q86 h ILE 8 N 0.36 0.92 0.00 3.13 2.04 -0.92 -2.95 117.51 120.09 1q86 h ILE 8 Ca 0.38 -1.82 0.00 0.00 1.00 0.00 0.00 64.86 64.42 1q86 h ILE 8 Cb 0.96 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 1q86 h ILE 8 CO -0.12 0.44 -0.75 0.54 0.00 0.00 0.00 178.15 178.26 1q86 n ARG 9 N -3.43 0.23 -0.14 2.37 1.74 0.52 -3.59 116.66 114.36 1q86 n ARG 9 Ca 0.00 0.04 0.09 0.00 -0.77 0.00 0.00 57.85 57.21 1q86 n ARG 9 Cb 0.60 -1.61 0.29 0.00 -1.02 0.00 0.00 32.46 30.72 1q86 n ARG 9 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1q86 n ASP 10 N -1.93 2.08 -4.97 0.55 8.00 0.29 -4.87 116.55 115.70 1q86 n ASP 10 Ca 0.03 -1.84 -0.21 0.00 0.71 0.00 0.00 54.79 53.49 1q86 n ASP 10 Cb 0.42 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 1q86 n ASP 10 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1q86 s MET 11 N -1.64 3.12 0.13 -1.24 -1.94 -1.20 -5.05 119.30 111.48 1q86 s MET 11 Ca 0.32 -0.77 -0.02 0.00 -1.71 0.00 0.00 55.69 53.51 1q86 s MET 11 Cb 0.17 -2.71 -0.05 0.00 2.01 0.00 0.00 34.83 34.25 1q86 s MET 11 CO 0.25 -0.06 0.32 -0.08 -0.01 0.00 0.00 175.02 175.44 1q86 s THR 12 N -2.33 5.26 0.56 2.05 -1.32 -1.26 -4.91 115.64 113.69 1q86 s THR 12 Ca 0.46 -0.25 0.46 0.00 -1.21 0.00 0.00 61.69 61.14 1q86 s THR 12 Cb -0.10 -3.66 0.67 0.00 -1.51 0.00 0.00 72.50 67.90 1q86 s THR 12 CO 0.34 0.00 1.58 -0.65 -2.21 0.00 0.00 174.62 173.68 1q86 h PRO 13 N 2.63 0.00 0.03 7.08 0.11 -1.97 1.20 132.00 141.09 1q86 h PRO 13 Ca -0.46 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.42 1q86 h PRO 13 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1q86 h PRO 13 CO 0.72 0.00 -0.99 0.00 -0.21 0.00 0.00 178.00 177.52 1q86 h ALA 14 N 1.02 0.37 0.00 -0.75 0.00 -1.92 -3.10 119.26 114.88 1q86 h ALA 14 Ca 0.83 -0.78 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1q86 h ALA 14 Cb 3.45 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 21.17 1q86 h ALA 14 CO -0.01 0.94 -0.67 0.93 0.00 0.00 0.00 179.25 180.44 1q86 h GLU 15 N 0.11 0.00 -0.13 0.00 5.08 0.11 -2.00 114.58 117.75 1q86 h GLU 15 Ca -0.07 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 1q86 h GLU 15 Cb 1.65 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.90 1q86 h GLU 15 CO 0.16 0.67 -0.20 0.00 -1.00 0.00 0.00 179.01 178.64 1q86 h ARG 16 N 0.00 0.37 -0.34 2.33 3.08 -1.47 0.13 114.38 118.47 1q86 h ARG 16 Ca -0.01 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.80 1q86 h ARG 16 Cb 1.23 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 1q86 h ARG 16 CO 0.09 0.80 0.10 0.93 -1.07 0.00 0.00 179.97 180.82 1q86 h GLU 17 N -0.03 0.49 -0.07 0.04 5.08 -1.51 1.29 114.58 119.87 1q86 h GLU 17 Ca 0.01 -0.07 -0.21 0.00 -1.00 0.00 0.00 59.36 58.09 1q86 h GLU 17 Cb 0.76 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1q86 h GLU 17 CO 0.05 0.44 -0.83 0.00 -1.00 0.00 0.00 179.01 177.66 1q86 h ALA 18 N 1.63 0.41 -0.12 3.43 0.00 -1.24 -2.23 119.26 121.14 1q86 h ALA 18 Ca 0.12 -0.64 -0.16 0.00 0.00 0.00 0.00 54.91 54.23 1q86 h ALA 18 Cb 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1q86 h ALA 18 CO -0.01 0.75 -0.60 1.49 0.00 0.00 0.00 179.25 180.88 1q86 h GLU 19 N 0.34 0.41 0.13 0.00 4.57 0.37 -2.62 114.58 117.79 1q86 h GLU 19 Ca -0.06 -0.28 -0.01 0.00 -1.18 0.00 0.00 59.36 57.83 1q86 h GLU 19 Cb 1.45 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 30.08 1q86 h GLU 19 CO 0.15 0.89 -0.06 1.25 -1.18 0.00 0.00 179.01 180.06 1q86 h LEU 20 N 0.31 -0.15 -1.55 1.64 5.85 0.17 -1.07 115.31 120.51 1q86 h LEU 20 Ca -0.00 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.80 1q86 h LEU 20 Cb 1.13 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1q86 h LEU 20 CO 0.10 -0.10 0.60 0.44 -0.34 0.00 0.00 178.44 179.15 1q86 h ASP 21 N -0.19 0.00 0.25 1.25 3.32 -1.49 0.19 116.42 119.75 1q86 h ASP 21 Ca -0.02 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1q86 h ASP 21 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1q86 h ASP 21 CO 0.03 0.00 -0.12 0.44 -1.72 0.00 0.00 179.24 177.87 1q86 h ASP 22 N 0.00 -0.29 -0.41 6.45 3.32 -1.15 -2.90 116.42 121.44 1q86 h ASP 22 Ca 0.13 -0.16 0.07 0.00 0.02 0.00 0.00 57.03 57.10 1q86 h ASP 22 Cb 1.34 0.07 -0.06 0.00 0.22 0.00 0.00 39.33 40.90 1q86 h ASP 22 CO -0.00 0.22 0.02 -0.07 -1.72 0.00 0.00 179.24 177.69 1q86 h LEU 23 N -1.01 -0.12 -0.79 1.55 3.38 0.60 -0.21 115.31 118.70 1q86 h LEU 23 Ca -0.03 0.09 0.19 0.00 0.09 0.00 0.00 57.88 58.21 1q86 h LEU 23 Cb 0.43 0.15 -0.13 0.00 0.09 0.00 0.00 40.66 41.20 1q86 h LEU 23 CO 0.06 -0.03 0.12 0.11 0.09 0.00 0.00 178.44 178.79 1q86 h LYS 24 N 0.13 0.18 -0.49 1.13 1.57 -1.04 0.17 116.57 118.22 1q86 h LYS 24 Ca 0.20 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.84 1q86 h LYS 24 Cb 0.28 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1q86 h LYS 24 CO -0.32 0.12 -0.20 1.15 -0.57 0.00 0.00 179.45 179.62 1q86 h THR 25 N 0.18 1.27 -0.77 -0.16 2.02 -0.87 0.16 112.91 114.74 1q86 h THR 25 Ca 0.46 -1.36 -0.04 0.00 0.77 0.00 0.00 66.41 66.23 1q86 h THR 25 Cb 0.84 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 68.31 1q86 h THR 25 CO -0.62 0.47 0.32 -0.08 0.37 0.00 0.00 175.52 175.98 1q86 h GLU 26 N 0.86 1.14 0.90 6.66 4.81 0.31 -0.35 114.58 128.92 1q86 h GLU 26 Ca 0.11 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 1q86 h GLU 26 Cb 0.78 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.97 1q86 h GLU 26 CO 0.06 0.92 -0.43 1.25 -0.73 0.00 0.00 179.01 180.08 1q86 h LEU 27 N 1.12 -1.03 -0.92 1.64 5.85 -0.48 -0.32 115.31 121.17 1q86 h LEU 27 Ca 0.26 0.03 0.24 0.00 0.84 0.00 0.00 57.88 59.25 1q86 h LEU 27 Cb 0.19 0.27 -0.13 0.00 0.37 0.00 0.00 40.66 41.36 1q86 h LEU 27 CO -0.02 -0.68 0.43 0.25 -0.34 0.00 0.00 178.44 178.07 1q86 h LEU 28 N -1.32 0.38 -0.77 2.25 5.85 -0.46 0.94 115.31 122.17 1q86 h LEU 28 Ca -0.12 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1q86 h LEU 28 Cb 0.93 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1q86 h LEU 28 CO 0.20 -0.01 0.00 0.78 -0.34 0.00 0.00 178.44 179.07 1q86 h ASN 29 N 0.41 0.00 -0.02 1.25 2.35 -0.88 -1.00 115.58 117.69 1q86 h ASN 29 Ca 0.59 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.30 1q86 h ASN 29 Cb 1.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.52 1q86 h ASN 29 CO -0.54 0.00 -0.14 0.00 -1.65 0.00 0.00 177.43 175.10 1q86 h ALA 30 N 2.04 0.04 -0.29 -0.83 0.00 0.26 -2.60 119.26 117.89 1q86 h ALA 30 Ca 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1q86 h ALA 30 Cb 0.71 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1q86 h ALA 30 CO 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 179.25 179.32 1q86 h ARG 31 N -0.51 0.41 -0.28 0.00 3.08 -0.77 -0.34 114.38 115.97 1q86 h ARG 31 Ca -0.01 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 1q86 h ARG 31 Cb 0.85 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 1q86 h ARG 31 CO 0.03 0.38 -0.00 0.00 -1.07 0.00 0.00 179.97 179.31 1q86 h ALA 32 N 1.68 0.38 -0.26 0.04 0.00 -1.18 0.28 119.26 120.20 1q86 h ALA 32 Ca 0.10 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1q86 h ALA 32 Cb 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1q86 h ALA 32 CO -0.00 0.13 -0.05 0.28 0.00 0.00 0.00 179.25 179.60 1q86 h VAL 33 N 0.28 1.18 -0.10 0.00 2.07 -1.01 -2.17 116.25 116.51 1q86 h VAL 33 Ca 0.08 -0.75 -0.18 0.00 0.82 0.00 0.00 66.70 66.67 1q86 h VAL 33 Cb 0.43 1.04 0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1q86 h VAL 33 CO 0.02 0.25 -0.65 -0.61 0.02 0.00 0.00 177.57 176.59 1q86 h GLN 34 N 0.38 0.61 0.00 1.57 4.15 -0.73 0.33 115.11 121.43 1q86 h GLN 34 Ca 0.08 -0.53 -0.00 0.00 0.77 0.00 0.00 58.65 58.97 1q86 h GLN 34 Cb 0.33 0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.14 1q86 h GLN 34 CO 0.01 1.15 -0.01 0.00 -1.93 0.00 0.00 178.83 178.06 1q86 h ALA 35 N 0.47 1.40 -0.51 3.38 0.00 -0.04 0.22 119.26 124.18 1q86 h ALA 35 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1q86 h ALA 35 Cb 1.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1q86 h ALA 35 CO 0.13 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.39 1q86 n ALA 36 N -2.27 3.30 -1.15 0.00 0.00 -0.85 -4.88 120.51 114.65 1q86 n ALA 36 Ca -0.03 -1.43 -0.05 0.00 0.00 0.00 0.00 53.44 51.93 1q86 n ALA 36 Cb 0.09 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 1q86 n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q86 n GLY 37 N 0.79 0.56 3.68 0.00 0.00 0.76 -4.88 105.19 106.09 1q86 n GLY 37 Ca 0.22 -0.04 -0.48 0.00 0.00 0.00 0.00 46.02 45.72 1q86 n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q86 n GLY 38 N 0.17 1.36 0.18 -0.02 0.00 0.12 -4.89 105.19 102.11 1q86 n GLY 38 Ca -0.05 0.82 0.12 0.00 0.00 0.00 0.00 46.02 46.91 1q86 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q86 h ALA 39 N 8.46 0.87 0.00 4.61 0.00 -1.90 -3.38 119.26 127.93 1q86 h ALA 39 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1q86 h ALA 39 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1q86 h ALA 39 CO 0.94 0.00 0.00 -0.35 0.00 0.00 0.00 179.25 179.84 1q86 n PRO 40 N -2.88 0.04 -1.17 0.00 -0.04 -1.26 -4.76 135.00 124.93 1q86 n PRO 40 Ca 0.03 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.20 1q86 n PRO 40 Cb 0.52 -1.34 0.22 0.00 -0.04 0.00 0.00 33.50 32.86 1q86 n PRO 40 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1q86 s GLU 41 N 0.38 -0.73 -0.43 0.54 2.02 -1.26 -5.04 118.70 114.18 1q86 s GLU 41 Ca 0.00 0.02 0.05 0.00 0.02 0.00 0.00 54.97 55.06 1q86 s GLU 41 Cb 0.00 -1.65 0.30 0.00 0.10 0.00 0.00 34.13 32.89 1q86 s GLU 41 CO 0.00 -3.40 1.14 0.09 0.02 0.00 0.00 175.26 173.11 1q86 n ASN 42 N -4.56 -2.19 -0.10 -0.19 3.02 -1.26 -5.05 115.26 104.93 1q86 n ASN 42 Ca 0.12 -3.19 0.08 0.00 -0.03 0.00 0.00 54.58 51.55 1q86 n ASN 42 Cb 0.59 1.71 0.13 0.00 -0.61 0.00 0.00 39.78 41.60 1q86 n ASN 42 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1q86 n PRO 43 N 0.68 -0.00 0.26 3.52 -0.02 -1.26 0.58 135.00 138.76 1q86 n PRO 43 Ca 0.04 0.21 0.12 0.00 -2.02 0.00 0.00 63.50 61.85 1q86 n PRO 43 Cb 0.70 -0.45 0.72 0.00 -0.02 0.00 0.00 33.50 34.45 1q86 n PRO 43 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1q86 h GLY 44 N 0.00 0.00 0.02 -1.23 0.00 -2.00 -3.12 103.07 96.74 1q86 h GLY 44 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.37 1q86 h GLY 44 CO -0.05 0.00 -0.70 3.21 0.00 0.00 0.00 176.54 179.00 1q86 h ARG 45 N 0.00 0.01 0.00 4.80 3.08 -0.29 -2.62 114.38 119.36 1q86 h ARG 45 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1q86 h ARG 45 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1q86 h ARG 45 CO 0.01 1.01 0.24 0.97 -1.07 0.00 0.00 179.97 181.13 1q86 h ILE 46 N -0.98 0.00 0.11 2.04 2.10 -1.71 0.63 117.51 119.70 1q86 h ILE 46 Ca -0.19 0.00 -0.25 0.00 1.08 0.00 0.00 64.86 65.50 1q86 h ILE 46 Cb 1.18 0.67 0.00 0.00 -1.09 0.00 0.00 36.82 37.58 1q86 h ILE 46 CO -0.11 0.00 -1.27 0.50 -1.08 0.00 0.00 178.15 176.20 1q86 h LYS 47 N 0.00 0.24 -0.53 2.19 3.64 -1.62 -3.33 116.57 117.16 1q86 h LYS 47 Ca 0.00 -0.41 -0.05 0.00 -1.27 0.00 0.00 60.65 58.92 1q86 h LYS 47 Cb 0.48 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1q86 h LYS 47 CO 0.00 1.20 0.13 0.93 -2.27 0.00 0.00 179.45 179.44 1q86 h GLU 48 N -0.35 0.84 -0.93 1.90 4.39 0.35 -2.39 114.58 118.39 1q86 h GLU 48 Ca -0.27 -0.20 0.24 0.00 0.34 0.00 0.00 59.36 59.47 1q86 h GLU 48 Cb 1.71 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 30.19 1q86 h GLU 48 CO 0.07 0.80 0.63 -0.07 -1.16 0.00 0.00 179.01 179.27 1q86 h LEU 49 N 0.74 0.26 -0.06 1.33 3.38 -0.19 0.50 115.31 121.28 1q86 h LEU 49 Ca 0.17 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 1q86 h LEU 49 Cb 0.33 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1q86 h LEU 49 CO 0.00 0.09 -0.27 0.03 0.09 0.00 0.00 178.44 178.38 1q86 h ARG 50 N 0.26 0.28 -0.42 1.13 3.08 -1.54 -2.68 114.38 114.48 1q86 h ARG 50 Ca 0.48 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 60.25 1q86 h ARG 50 Cb 1.43 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.51 1q86 h ARG 50 CO -0.13 0.88 0.06 0.87 -1.07 0.00 0.00 179.97 180.57 1q86 h LYS 51 N -0.24 0.70 -0.32 0.04 1.57 -0.67 -1.54 116.57 116.11 1q86 h LYS 51 Ca -0.02 -0.19 0.04 0.00 -1.87 0.00 0.00 60.65 58.62 1q86 h LYS 51 Cb 0.93 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.12 1q86 h LYS 51 CO 0.06 0.74 0.06 0.00 -0.57 0.00 0.00 179.45 179.74 1q86 h ALA 52 N 0.93 0.33 -0.84 3.86 0.00 -0.21 0.39 119.26 123.72 1q86 h ALA 52 Ca 0.13 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1q86 h ALA 52 Cb 0.39 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 1q86 h ALA 52 CO 0.01 -0.34 0.53 0.82 0.00 0.00 0.00 179.25 180.26 1q86 h ILE 53 N 0.18 1.05 0.51 0.00 2.04 -1.26 -0.64 117.51 119.39 1q86 h ILE 53 Ca 0.15 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1q86 h ILE 53 Cb 0.16 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 1q86 h ILE 53 CO -0.19 0.18 -0.32 0.00 0.00 0.00 0.00 178.15 177.81 1q86 h ALA 54 N 1.39 -0.80 -0.36 1.87 0.00 -0.20 -1.27 119.26 119.89 1q86 h ALA 54 Ca 0.36 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.19 1q86 h ALA 54 Cb 0.14 0.40 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 1q86 h ALA 54 CO -0.16 -0.97 -0.28 0.00 0.00 0.00 0.00 179.25 177.84 1q86 h ARG 55 N -0.79 -0.22 -0.34 0.00 3.08 -0.43 0.37 114.38 116.05 1q86 h ARG 55 Ca -0.06 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.08 1q86 h ARG 55 Cb 0.65 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.67 1q86 h ARG 55 CO 0.06 -0.15 -0.21 0.82 -1.07 0.00 0.00 179.97 179.42 1q86 h ILE 56 N -0.23 0.42 -0.97 2.04 2.04 -0.96 0.22 117.51 120.07 1q86 h ILE 56 Ca 0.17 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.05 1q86 h ILE 56 Cb 0.50 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 1q86 h ILE 56 CO -0.49 0.00 0.64 0.11 0.00 0.00 0.00 178.15 178.41 1q86 h LYS 57 N -0.16 1.25 -0.44 2.37 1.57 -0.06 0.16 116.57 121.26 1q86 h LYS 57 Ca 0.17 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1q86 h LYS 57 Cb 0.43 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1q86 h LYS 57 CO -0.44 0.83 0.27 1.15 -0.57 0.00 0.00 179.45 180.70 1q86 h THR 58 N 1.29 1.14 -0.29 -0.16 2.02 0.18 -1.87 112.91 115.20 1q86 h THR 58 Ca 0.36 -0.30 -0.09 0.00 0.77 0.00 0.00 66.41 67.16 1q86 h THR 58 Cb -0.11 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1q86 h THR 58 CO -0.09 0.14 -0.15 0.40 0.37 0.00 0.00 175.52 176.19 1q86 h ILE 59 N 0.59 1.29 -0.70 3.11 1.08 -0.09 -1.48 117.51 121.32 1q86 h ILE 59 Ca 0.16 -1.26 0.19 0.00 -0.39 0.00 0.00 64.86 63.56 1q86 h ILE 59 Cb -0.02 1.48 -0.03 0.00 -3.07 0.00 0.00 36.82 35.18 1q86 h ILE 59 CO -0.03 0.40 0.49 1.56 -0.69 0.00 0.00 178.15 179.88 1q86 h GLN 60 N 0.37 0.11 0.03 2.37 4.20 -0.49 0.19 115.11 121.89 1q86 h GLN 60 Ca 0.06 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 1q86 h GLN 60 Cb 0.68 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1q86 h GLN 60 CO 0.05 0.08 -0.01 0.78 -0.67 0.00 0.00 178.83 179.05 1q86 h GLY 61 N 0.12 -0.04 0.69 3.46 0.00 -0.95 0.37 103.07 106.72 1q86 h GLY 61 Ca 0.34 0.01 0.06 0.00 0.00 0.00 0.00 47.33 47.74 1q86 h GLY 61 CO -0.04 -0.01 0.36 0.83 0.00 0.00 0.00 176.54 177.68 1q86 h GLU 62 N -0.82 0.66 -0.02 4.80 5.08 -0.05 -2.83 114.58 121.40 1q86 h GLU 62 Ca -0.00 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.16 1q86 h GLU 62 Cb 0.71 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1q86 h GLU 62 CO 0.01 0.43 -0.69 0.93 -1.00 0.00 0.00 179.01 178.69 1q86 h GLU 63 N 0.68 0.09 0.00 2.33 4.39 -0.83 -3.47 114.58 117.77 1q86 h GLU 63 Ca 0.29 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.91 1q86 h GLU 63 Cb 0.18 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1q86 h GLU 63 CO -0.18 0.75 0.00 0.41 -1.16 0.00 0.00 179.01 178.83 1q86 n GLY 64 N 0.46 1.29 0.00 -3.84 0.00 -1.06 -5.10 105.19 96.93 1q86 n GLY 64 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1q86 n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54