#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q86 s ASP 2 N 0.00 3.77 -0.06 3.42 2.15 -1.26 -5.01 116.67 119.67 1q86 s ASP 2 Ca 0.00 -1.45 0.13 0.00 0.43 0.00 0.00 52.55 51.66 1q86 s ASP 2 Cb 0.00 -0.61 0.48 0.00 -0.30 0.00 0.00 42.92 42.49 1q86 s ASP 2 CO 0.00 -0.43 1.35 0.18 -0.17 0.00 0.00 175.17 176.11 1q86 n LEU 3 N 5.05 3.26 0.19 -1.34 4.77 -1.26 -4.38 117.00 123.28 1q86 n LEU 3 Ca -0.04 -1.64 0.04 0.00 -0.03 0.00 0.00 56.01 54.34 1q86 n LEU 3 Cb 0.42 -0.45 0.44 0.00 -2.33 0.00 0.00 43.42 41.51 1q86 n LEU 3 CO 0.08 0.60 0.86 0.77 -1.33 0.00 0.00 177.39 178.37 1q86 h SER 4 N 2.80 0.06 0.15 -1.43 4.64 -1.99 -0.65 113.55 117.14 1q86 h SER 4 Ca 0.00 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1q86 h SER 4 Cb 1.00 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1q86 h SER 4 CO 0.13 0.27 -0.07 0.00 -0.87 0.00 0.00 176.83 176.29 1q86 h ALA 5 N 1.73 -0.20 -0.38 5.18 0.00 -2.00 -2.37 119.26 121.22 1q86 h ALA 5 Ca 0.01 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1q86 h ALA 5 Cb 0.40 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1q86 h ALA 5 CO 0.03 -0.54 0.20 1.96 0.00 0.00 0.00 179.25 180.90 1q86 h GLN 6 N -0.34 0.40 -0.87 0.00 7.50 -1.80 -2.05 115.11 117.95 1q86 h GLN 6 Ca -0.02 -0.02 0.23 0.00 0.50 0.00 0.00 58.65 59.33 1q86 h GLN 6 Cb 0.27 -0.09 -0.13 0.00 0.05 0.00 0.00 27.48 27.57 1q86 h GLN 6 CO 0.03 0.26 0.28 0.87 -1.50 0.00 0.00 178.83 178.78 1q86 h LYS 7 N 0.41 0.26 -0.46 1.46 1.79 -0.93 0.98 116.57 120.09 1q86 h LYS 7 Ca 0.16 -0.02 -0.10 0.00 -2.18 0.00 0.00 60.65 58.51 1q86 h LYS 7 Cb 0.05 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 1q86 h LYS 7 CO -0.10 0.17 -0.13 -0.09 -1.08 0.00 0.00 179.45 178.23 1q86 h ARG 8 N 0.27 0.84 -0.12 3.15 2.43 -0.86 -2.06 114.38 118.03 1q86 h ARG 8 Ca 0.55 -0.30 -0.05 0.00 -0.81 0.00 0.00 59.98 59.37 1q86 h ARG 8 Cb 1.07 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1q86 h ARG 8 CO -0.60 0.93 -0.12 -0.07 -1.51 0.00 0.00 179.97 178.59 1q86 h LEU 9 N 0.76 0.31 -0.52 3.80 3.38 0.12 -3.00 115.31 120.16 1q86 h LEU 9 Ca 0.12 -0.48 0.03 0.00 0.09 0.00 0.00 57.88 57.65 1q86 h LEU 9 Cb 0.64 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1q86 h LEU 9 CO 0.04 0.73 0.29 0.00 0.09 0.00 0.00 178.44 179.59 1q86 h ALA 10 N 0.60 0.66 0.00 1.53 0.00 0.49 0.57 119.26 123.11 1q86 h ALA 10 Ca 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1q86 h ALA 10 Cb 0.64 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1q86 h ALA 10 CO 0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 179.25 179.25 1q86 h ALA 11 N 1.25 1.57 0.12 0.00 0.00 -1.38 0.28 119.26 121.10 1q86 h ALA 11 Ca 0.22 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.80 1q86 h ALA 11 Cb 0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1q86 h ALA 11 CO -0.13 0.00 -1.75 0.22 0.00 0.00 0.00 179.25 177.59 1q86 h ASP 12 N 0.00 0.39 -0.12 0.00 1.82 -1.11 0.11 116.42 117.51 1q86 h ASP 12 Ca -0.00 -0.88 -0.02 0.00 -0.39 0.00 0.00 57.03 55.75 1q86 h ASP 12 Cb 0.00 -0.13 -0.00 0.00 0.68 0.00 0.00 39.33 39.88 1q86 h ASP 12 CO 0.00 1.76 0.02 1.62 -1.61 0.00 0.00 179.24 181.02 1q86 h VAL 13 N -0.13 1.23 0.00 2.25 3.04 -0.46 -2.20 116.25 119.97 1q86 h VAL 13 Ca -0.38 -0.72 0.00 0.00 -1.01 0.00 0.00 66.70 64.59 1q86 h VAL 13 Cb 1.90 1.47 0.00 0.00 -2.01 0.00 0.00 31.29 32.65 1q86 h VAL 13 CO 0.06 0.21 0.00 0.18 -1.01 0.00 0.00 177.57 177.01 1q86 n LEU 14 N -4.82 0.00 -3.55 3.16 4.77 0.95 -4.91 117.00 112.59 1q86 n LEU 14 Ca -0.06 0.33 -0.26 0.00 -0.03 0.00 0.00 56.01 55.99 1q86 n LEU 14 Cb 0.18 -0.33 0.05 0.00 -2.33 0.00 0.00 43.42 40.99 1q86 n LEU 14 CO 0.35 -0.08 -0.03 -0.67 -1.33 0.00 0.00 177.39 175.63 1q86 n ASP 15 N -1.33 -5.76 -3.81 -1.43 -0.08 -0.83 -5.01 116.55 98.30 1q86 n ASP 15 Ca 0.10 -0.90 -0.09 0.00 -1.51 0.00 0.00 54.79 52.39 1q86 n ASP 15 Cb 0.20 -3.84 -0.06 0.00 2.34 0.00 0.00 41.12 39.75 1q86 n ASP 15 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1q86 s VAL 16 N -3.41 0.11 0.25 5.18 1.01 0.36 -5.02 120.40 118.90 1q86 s VAL 16 Ca 0.44 -1.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 1q86 s VAL 16 Cb -0.13 -1.36 -0.11 0.00 0.00 0.00 0.00 36.38 34.78 1q86 s VAL 16 CO 0.83 -0.52 1.55 -0.83 0.00 0.00 0.00 175.10 176.13 1q86 s GLY 17 N -2.86 2.00 0.35 4.51 0.00 -1.26 -4.46 107.32 105.60 1q86 s GLY 17 Ca 0.06 1.46 0.17 0.00 0.00 0.00 0.00 44.72 46.41 1q86 s GLY 17 CO -0.10 2.51 1.55 0.28 0.00 0.00 0.00 173.10 177.34 1q86 n LYS 18 N 2.68 -0.06 0.00 2.90 5.02 -1.26 0.79 118.16 128.23 1q86 n LYS 18 Ca 0.09 1.38 0.03 0.00 -2.02 0.00 0.00 58.31 57.79 1q86 n LYS 18 Cb 0.38 -2.41 0.12 0.00 -0.02 0.00 0.00 35.03 33.10 1q86 n LYS 18 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1q86 n ASN 19 N -5.27 0.00 -0.00 4.39 3.02 -1.26 -2.09 115.26 114.04 1q86 n ASN 19 Ca 0.34 0.46 0.08 0.00 -0.03 0.00 0.00 54.58 55.44 1q86 n ASN 19 Cb 1.16 -0.47 -0.11 0.00 -0.61 0.00 0.00 39.78 39.75 1q86 n ASN 19 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1q86 n ARG 20 N -1.47 1.16 -2.33 3.52 1.74 0.24 -4.96 116.66 114.55 1q86 n ARG 20 Ca 0.01 -0.05 -0.41 0.00 -0.77 0.00 0.00 57.85 56.64 1q86 n ARG 20 Cb 0.06 -1.33 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 1q86 n ARG 20 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1q86 s VAL 21 N -2.77 3.29 -0.13 1.55 -7.23 -0.89 0.08 120.40 114.31 1q86 s VAL 21 Ca 0.03 1.20 0.02 0.00 -1.81 0.00 0.00 61.98 61.42 1q86 s VAL 21 Cb 0.12 -3.77 -0.00 0.00 0.56 0.00 0.00 36.38 33.29 1q86 s VAL 21 CO 0.70 0.25 -0.18 0.86 -0.31 0.00 0.00 175.10 176.42 1q86 s TRP 22 N -0.67 2.70 -0.21 2.82 -0.00 0.25 -4.89 118.94 118.94 1q86 s TRP 22 Ca 0.49 -0.97 -0.05 0.00 -0.00 0.00 0.00 56.10 55.57 1q86 s TRP 22 Cb -0.35 -1.81 -0.02 0.00 -0.00 0.00 0.00 33.47 31.30 1q86 s TRP 22 CO 0.42 -0.40 0.01 -0.06 -0.00 0.00 0.00 176.95 176.92 1q86 s PHE 23 N 0.52 3.03 -0.00 5.86 0.08 -1.26 -1.57 117.98 124.64 1q86 s PHE 23 Ca -0.12 -0.54 -0.33 0.00 0.12 0.00 0.00 56.93 56.07 1q86 s PHE 23 Cb -0.16 -2.12 -0.11 0.00 -0.57 0.00 0.00 43.02 40.05 1q86 s PHE 23 CO 0.04 -0.32 1.87 -1.71 -0.10 0.00 0.00 175.22 175.01 1q86 n ASN 24 N 4.49 3.69 0.03 1.36 2.85 -0.36 -4.86 115.26 122.46 1q86 n ASN 24 Ca -0.17 0.97 0.16 0.00 -0.11 0.00 0.00 54.58 55.42 1q86 n ASN 24 Cb 0.51 -1.44 0.63 0.00 1.24 0.00 0.00 39.78 40.73 1q86 n ASN 24 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1q86 h PRO 25 N 9.18 0.10 -0.02 1.20 0.11 -1.97 -1.94 132.00 138.66 1q86 h PRO 25 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1q86 h PRO 25 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1q86 h PRO 25 CO 0.94 0.06 0.00 0.39 -0.21 0.00 0.00 178.00 179.18 1q86 n GLU 26 N -4.43 1.29 -0.72 1.05 1.02 -1.26 -3.89 120.64 113.70 1q86 n GLU 26 Ca 0.07 -0.42 0.06 0.00 -0.02 0.00 0.00 57.16 56.84 1q86 n GLU 26 Cb 0.45 -1.46 0.13 0.00 -0.02 0.00 0.00 31.44 30.54 1q86 n GLU 26 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1q86 n ARG 27 N -0.46 0.95 -0.17 3.49 1.74 -0.73 -4.81 116.66 116.68 1q86 n ARG 27 Ca 0.20 -2.59 -0.03 0.00 -0.77 0.00 0.00 57.85 54.66 1q86 n ARG 27 Cb 0.21 -1.06 0.07 0.00 -1.02 0.00 0.00 32.46 30.65 1q86 n ARG 27 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1q86 h GLN 28 N 0.71 0.41 -0.50 5.56 4.20 -1.67 0.31 115.11 124.13 1q86 h GLN 28 Ca -0.06 -0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.72 1q86 h GLN 28 Cb 1.27 -0.09 -0.08 0.00 0.30 0.00 0.00 27.48 28.89 1q86 h GLN 28 CO 0.03 0.27 0.05 0.78 -0.67 0.00 0.00 178.83 179.29 1q86 h GLY 29 N 0.42 0.56 0.92 3.46 0.00 -1.91 0.72 103.07 107.26 1q86 h GLY 29 Ca 0.25 0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.53 1q86 h GLY 29 CO -0.22 -0.10 -0.01 -0.55 0.00 0.00 0.00 176.54 175.65 1q86 h ASP 30 N 0.18 0.63 0.30 0.19 3.32 -1.70 -2.71 116.42 116.63 1q86 h ASP 30 Ca 0.25 -0.32 -0.06 0.00 0.02 0.00 0.00 57.03 56.92 1q86 h ASP 30 Cb 0.36 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1q86 h ASP 30 CO -0.37 0.80 -0.29 0.40 -1.72 0.00 0.00 179.24 178.06 1q86 h ILE 31 N 0.45 1.19 -0.77 0.35 2.04 -0.18 -2.19 117.51 118.40 1q86 h ILE 31 Ca 0.10 -1.00 -0.05 0.00 1.00 0.00 0.00 64.86 64.90 1q86 h ILE 31 Cb 0.48 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 1q86 h ILE 31 CO 0.02 0.29 0.27 0.00 0.00 0.00 0.00 178.15 178.73 1q86 h ALA 32 N 1.71 1.01 0.00 1.87 0.00 0.72 -1.95 119.26 122.62 1q86 h ALA 32 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1q86 h ALA 32 Cb 0.52 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1q86 h ALA 32 CO 0.04 0.67 0.00 -0.44 0.00 0.00 0.00 179.25 179.52 1q86 h ASP 33 N 1.14 0.00 -2.61 0.00 3.32 -1.10 -3.43 116.42 113.74 1q86 h ASP 33 Ca 0.25 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.74 1q86 h ASP 33 Cb 0.27 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1q86 h ASP 33 CO -0.01 0.00 1.18 0.00 -1.72 0.00 0.00 179.24 178.69 1q86 s ALA 34 N -3.30 3.26 -0.06 3.45 0.00 -0.73 -4.80 121.76 119.58 1q86 s ALA 34 Ca 0.05 0.63 0.05 0.00 0.00 0.00 0.00 51.96 52.69 1q86 s ALA 34 Cb 0.10 -3.87 -0.07 0.00 0.00 0.00 0.00 23.12 19.28 1q86 s ALA 34 CO 0.46 -1.98 0.01 -0.89 0.00 0.00 0.00 175.76 173.36 1q86 n ILE 35 N 6.42 0.40 -4.18 0.00 2.08 -1.26 -4.84 119.36 117.99 1q86 n ILE 35 Ca 0.20 -0.24 -0.27 0.00 0.56 0.00 0.00 62.75 63.00 1q86 n ILE 35 Cb 0.45 -0.83 -0.08 0.00 -0.75 0.00 0.00 39.64 38.43 1q86 n ILE 35 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1q86 s THR 36 N -2.14 3.85 0.27 1.39 -4.23 -1.26 -5.00 115.64 108.52 1q86 s THR 36 Ca -0.04 -1.28 0.01 0.00 -1.18 0.00 0.00 61.69 59.20 1q86 s THR 36 Cb 0.02 -2.91 0.26 0.00 1.34 0.00 0.00 72.50 71.21 1q86 s THR 36 CO 0.23 -0.05 1.72 0.03 -0.54 0.00 0.00 174.62 176.02 1q86 h ARG 37 N 2.88 0.47 -0.59 3.99 3.08 -1.98 0.49 114.38 122.72 1q86 h ARG 37 Ca -0.47 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 59.59 1q86 h ARG 37 Cb 1.19 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 31.09 1q86 h ARG 37 CO 0.59 0.31 0.33 1.49 -1.07 0.00 0.00 179.97 181.62 1q86 h GLU 38 N 0.49 0.61 -0.94 0.04 4.57 -1.99 0.68 114.58 118.02 1q86 h GLU 38 Ca 0.50 -0.04 0.12 0.00 -1.18 0.00 0.00 59.36 58.77 1q86 h GLU 38 Cb 0.85 -0.14 -0.08 0.00 -0.16 0.00 0.00 28.75 29.22 1q86 h GLU 38 CO -0.45 0.40 0.60 -0.44 -1.18 0.00 0.00 179.01 177.94 1q86 h ASP 39 N 0.62 0.81 0.61 1.04 3.32 -0.47 -1.25 116.42 121.10 1q86 h ASP 39 Ca 0.26 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 1q86 h ASP 39 Cb 0.13 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.56 1q86 h ASP 39 CO -0.15 0.43 -0.29 0.58 -1.72 0.00 0.00 179.24 178.09 1q86 h VAL 40 N 0.87 0.26 -0.97 -1.35 2.07 0.34 -2.39 116.25 115.09 1q86 h VAL 40 Ca 0.47 -0.29 0.22 0.00 0.82 0.00 0.00 66.70 67.91 1q86 h VAL 40 Cb 0.55 0.35 -0.12 0.00 -1.52 0.00 0.00 31.29 30.55 1q86 h VAL 40 CO -0.23 0.03 0.54 0.03 0.02 0.00 0.00 177.57 177.96 1q86 h ARG 41 N -1.05 0.56 -0.72 1.57 3.08 -0.51 0.21 114.38 117.53 1q86 h ARG 41 Ca -0.08 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 1q86 h ARG 41 Cb 0.68 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 1q86 h ARG 41 CO 0.14 0.37 0.25 1.49 -1.07 0.00 0.00 179.97 181.15 1q86 h GLU 42 N 0.58 1.10 0.00 0.04 4.81 -1.18 -0.50 114.58 119.43 1q86 h GLU 42 Ca 0.60 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.59 1q86 h GLU 42 Cb 1.07 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.29 1q86 h GLU 42 CO -0.46 0.93 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.64 1q86 h LEU 43 N 1.05 0.00 -0.01 1.64 3.38 -0.15 -2.40 115.31 118.81 1q86 h LEU 43 Ca 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 1q86 h LEU 43 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1q86 h LEU 43 CO -0.01 0.04 -0.08 0.58 0.09 0.00 0.00 178.44 179.07 1q86 h VAL 44 N 0.00 1.51 0.00 1.22 2.07 0.17 0.69 116.25 121.92 1q86 h VAL 44 Ca -0.00 -1.62 -0.01 0.00 0.82 0.00 0.00 66.70 65.89 1q86 h VAL 44 Cb 0.65 2.56 -0.00 0.00 -1.52 0.00 0.00 31.29 32.98 1q86 h VAL 44 CO 0.01 0.43 -0.03 0.44 0.02 0.00 0.00 177.57 178.44 1q86 h ASP 45 N -0.56 0.00 -0.24 0.57 3.32 -0.96 0.74 116.42 119.28 1q86 h ASP 45 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1q86 h ASP 45 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1q86 h ASP 45 CO 0.02 0.03 0.00 -0.62 -1.72 0.00 0.00 179.24 176.94 1q86 n GLU 46 N -3.34 1.80 -1.43 3.56 1.02 -0.92 -4.90 120.64 116.43 1q86 n GLU 46 Ca -0.02 -1.21 -0.15 0.00 -0.02 0.00 0.00 57.16 55.75 1q86 n GLU 46 Cb 0.15 -1.36 -0.06 0.00 -0.02 0.00 0.00 31.44 30.14 1q86 n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1q86 n GLY 47 N 1.13 1.42 0.16 0.62 0.00 0.26 -4.80 105.19 103.97 1q86 n GLY 47 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.21 1q86 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q86 h ALA 48 N 0.02 0.77 -3.27 4.61 0.00 -1.04 -3.42 119.26 116.93 1q86 h ALA 48 Ca -0.30 -0.40 -0.62 0.00 0.00 0.00 0.00 54.91 53.59 1q86 h ALA 48 Cb 1.25 -0.07 -0.34 0.00 0.00 0.00 0.00 17.79 18.63 1q86 h ALA 48 CO 0.45 0.55 -0.85 0.42 0.00 0.00 0.00 179.25 179.82 1q86 s ILE 49 N -3.14 1.69 0.18 0.00 1.01 -0.98 -1.22 121.20 118.74 1q86 s ILE 49 Ca 0.03 -0.76 -0.03 0.00 0.00 0.00 0.00 60.65 59.89 1q86 s ILE 49 Cb 0.08 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 41.00 1q86 s ILE 49 CO 0.72 0.48 0.15 -1.10 0.00 0.00 0.00 174.94 175.18 1q86 s GLN 50 N 0.86 1.13 -0.17 2.79 -0.21 -0.61 -4.44 119.66 119.01 1q86 s GLN 50 Ca -0.08 -1.50 -0.02 0.00 0.02 0.00 0.00 55.36 53.78 1q86 s GLN 50 Cb -0.15 0.29 -0.01 0.00 1.00 0.00 0.00 33.01 34.13 1q86 s GLN 50 CO -0.00 -0.37 -0.09 0.00 -2.12 0.00 0.00 175.29 172.70 1q86 s ALA 51 N -4.10 2.71 0.97 6.09 0.00 -1.26 0.85 121.76 127.03 1q86 s ALA 51 Ca 0.31 -1.00 -0.11 0.00 0.00 0.00 0.00 51.96 51.16 1q86 s ALA 51 Cb 0.06 -1.43 0.17 0.00 0.00 0.00 0.00 23.12 21.93 1q86 s ALA 51 CO 0.08 -0.04 1.09 0.21 0.00 0.00 0.00 175.76 177.10 1q86 s LYS 52 N 0.81 0.62 -0.01 0.00 2.47 0.11 -4.96 119.74 118.80 1q86 s LYS 52 Ca -0.03 1.02 -0.20 0.00 -1.56 0.00 0.00 55.97 55.20 1q86 s LYS 52 Cb -0.15 -1.72 -0.05 0.00 -1.46 0.00 0.00 37.83 34.45 1q86 s LYS 52 CO 0.01 -2.73 0.56 -0.51 0.16 0.00 0.00 175.35 172.84 1q86 s ASP 53 N -2.99 6.94 0.02 1.43 1.01 -1.26 -4.96 116.67 116.86 1q86 s ASP 53 Ca 0.66 1.12 -0.26 0.00 0.71 0.00 0.00 52.55 54.77 1q86 s ASP 53 Cb -0.21 -2.34 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 1q86 s ASP 53 CO 0.59 0.13 0.83 -1.59 0.21 0.00 0.00 175.17 175.34 1q86 s LYS 54 N -0.30 4.53 0.68 8.23 -2.85 -1.26 -5.05 119.74 123.72 1q86 s LYS 54 Ca 0.29 1.16 -0.07 0.00 -1.00 0.00 0.00 55.97 56.35 1q86 s LYS 54 Cb -0.18 -3.41 0.05 0.00 -2.06 0.00 0.00 37.83 32.23 1q86 s LYS 54 CO 0.16 0.15 1.00 -1.59 0.10 0.00 0.00 175.35 175.18 1q86 s LYS 55 N 0.38 2.38 0.02 1.78 -2.85 -1.26 -5.10 119.74 115.08 1q86 s LYS 55 Ca 0.42 -0.15 0.01 0.00 -1.00 0.00 0.00 55.97 55.26 1q86 s LYS 55 Cb -0.20 -2.17 -0.02 0.00 -2.06 0.00 0.00 37.83 33.38 1q86 s LYS 55 CO 0.24 -1.13 -0.04 0.20 0.10 0.00 0.00 175.35 174.72 1q86 s GLY 56 N -4.47 0.30 0.17 0.59 0.00 -1.26 -5.12 107.32 97.54 1q86 s GLY 56 Ca 0.59 -0.53 -0.30 0.00 0.00 0.00 0.00 44.72 44.47 1q86 s GLY 56 CO 0.45 -0.57 1.33 -1.31 0.00 0.00 0.00 173.10 173.00 1q86 s ASN 57 N -1.16 6.87 0.10 1.64 -0.87 -1.26 -4.96 114.94 115.31 1q86 s ASN 57 Ca -0.10 2.38 -0.31 0.00 -1.57 0.00 0.00 52.86 53.27 1q86 s ASN 57 Cb -0.08 -2.60 -0.07 0.00 -0.02 0.00 0.00 41.25 38.48 1q86 s ASN 57 CO -0.00 -0.57 1.29 -0.44 -2.57 0.00 0.00 177.10 174.81 1q86 s SER 58 N 0.56 6.95 -0.09 -1.22 0.01 -1.26 -4.91 113.70 113.75 1q86 s SER 58 Ca 0.59 2.20 0.19 0.00 1.31 0.00 0.00 55.95 60.23 1q86 s SER 58 Cb -0.37 -2.59 0.68 0.00 0.21 0.00 0.00 66.02 63.95 1q86 s SER 58 CO 0.36 -0.55 1.58 0.54 0.41 0.00 0.00 173.24 175.58 1q86 n ARG 59 N 3.77 3.47 0.21 12.44 1.74 -1.26 -4.65 116.66 132.39 1q86 n ARG 59 Ca 0.10 -2.80 -0.12 0.00 -0.77 0.00 0.00 57.85 54.25 1q86 n ARG 59 Cb 0.44 -1.79 -0.07 0.00 -1.02 0.00 0.00 32.46 30.02 1q86 n ARG 59 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1q86 h GLY 60 N 3.90 -1.07 1.52 -0.13 0.00 -2.00 -0.22 103.07 105.07 1q86 h GLY 60 Ca 0.00 0.48 0.06 0.00 0.00 0.00 0.00 47.33 47.88 1q86 h GLY 60 CO 0.17 -0.34 0.18 3.21 0.00 0.00 0.00 176.54 179.77 1q86 h ARG 61 N -0.70 0.05 0.08 4.80 3.08 -2.01 -1.12 114.38 118.56 1q86 h ARG 61 Ca -0.05 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1q86 h ARG 61 Cb 0.60 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1q86 h ARG 61 CO -0.03 0.04 -0.04 0.00 -1.07 0.00 0.00 179.97 178.87 1q86 h ALA 62 N 1.87 -0.11 -0.39 0.04 0.00 -1.69 -2.43 119.26 116.56 1q86 h ALA 62 Ca 0.12 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1q86 h ALA 62 Cb 0.41 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1q86 h ALA 62 CO -0.01 -0.54 0.24 0.00 0.00 0.00 0.00 179.25 178.94 1q86 h ARG 63 N -0.15 0.46 -0.68 0.00 3.08 0.21 0.67 114.38 117.97 1q86 h ARG 63 Ca -0.01 -0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.11 1q86 h ARG 63 Cb 0.12 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 29.99 1q86 h ARG 63 CO 0.02 0.31 0.31 0.93 -1.07 0.00 0.00 179.97 180.46 1q86 h GLU 64 N 0.48 0.51 -0.12 0.04 5.08 -1.34 0.72 114.58 119.95 1q86 h GLU 64 Ca 0.15 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1q86 h GLU 64 Cb -0.01 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1q86 h GLU 64 CO -0.06 0.34 0.07 -0.09 -1.00 0.00 0.00 179.01 178.27 1q86 h ARG 65 N 0.52 0.17 -0.78 2.33 2.43 -0.89 -1.99 114.38 116.18 1q86 h ARG 65 Ca 0.34 -0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.62 1q86 h ARG 65 Cb 0.40 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.83 1q86 h ARG 65 CO -0.29 0.17 0.38 1.96 -1.51 0.00 0.00 179.97 180.68 1q86 h GLN 66 N 0.12 0.57 0.75 0.20 4.20 0.24 -0.86 115.11 120.31 1q86 h GLN 66 Ca 0.04 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 1q86 h GLN 66 Cb 0.05 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1q86 h GLN 66 CO -0.01 0.37 -0.39 0.87 -0.67 0.00 0.00 178.83 179.01 1q86 h LYS 67 N 0.58 -1.00 -0.83 1.46 1.57 -0.48 0.14 116.57 118.01 1q86 h LYS 67 Ca 0.41 0.07 0.18 0.00 -1.87 0.00 0.00 60.65 59.44 1q86 h LYS 67 Cb 0.53 0.23 -0.15 0.00 0.08 0.00 0.00 32.23 32.91 1q86 h LYS 67 CO -0.33 -0.67 -0.12 0.87 -0.57 0.00 0.00 179.45 178.63 1q86 h LYS 68 N -1.04 0.03 0.00 3.15 1.79 -1.01 0.19 116.57 119.68 1q86 h LYS 68 Ca -0.10 -0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.29 1q86 h LYS 68 Cb 0.81 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.44 1q86 h LYS 68 CO 0.15 0.02 -0.34 0.00 -1.08 0.00 0.00 179.45 178.20 1q86 h ARG 69 N 0.03 0.00 -0.01 3.15 3.08 -1.00 0.27 114.38 119.90 1q86 h ARG 69 Ca 0.43 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.31 1q86 h ARG 69 Cb 0.72 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 1q86 h ARG 69 CO -0.81 0.34 -0.77 0.00 -1.07 0.00 0.00 179.97 177.66 1q86 h ALA 70 N 1.66 0.70 -0.01 0.04 0.00 0.22 -2.72 119.26 119.14 1q86 h ALA 70 Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1q86 h ALA 70 Cb 0.82 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1q86 h ALA 70 CO 0.04 0.91 0.00 1.17 0.00 0.00 0.00 179.25 181.37 1q86 n LYS 71 N -3.68 1.29 0.00 0.00 3.00 -0.18 -4.92 118.16 113.68 1q86 n LYS 71 Ca -0.02 -0.42 0.00 0.00 -0.00 0.00 0.00 58.31 57.87 1q86 n LYS 71 Cb 0.74 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 34.28 1q86 n LYS 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1q86 n GLY 72 N 1.07 0.46 3.98 3.14 0.00 -0.90 -5.06 105.19 107.88 1q86 n GLY 72 Ca 0.22 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 1q86 n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1q86 s HIS 73 N -2.00 3.04 -1.27 1.61 3.76 0.91 -4.57 115.29 116.78 1q86 s HIS 73 Ca 0.00 -0.07 -0.04 0.00 -0.15 0.00 0.00 55.06 54.80 1q86 s HIS 73 Cb 0.00 -2.32 0.00 0.00 1.11 0.00 0.00 32.58 31.38 1q86 s HIS 73 CO 0.00 -0.37 1.08 1.04 -0.85 0.00 0.00 174.74 175.64 1q86 n GLN 74 N -1.96 -7.21 -1.90 1.40 6.02 -1.26 -3.27 117.38 109.21 1q86 n GLN 74 Ca 0.03 0.84 0.01 0.00 -0.01 0.00 0.00 57.00 57.87 1q86 n GLN 74 Cb 0.58 -5.87 0.03 0.00 1.02 0.00 0.00 30.24 26.00 1q86 n GLN 74 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1q86 n LYS 75 N -4.52 0.58 -1.79 -1.09 5.02 -1.26 -4.93 118.16 110.17 1q86 n LYS 75 Ca -0.16 -2.28 -0.30 0.00 -2.02 0.00 0.00 58.31 53.56 1q86 n LYS 75 Cb 0.62 -0.38 0.08 0.00 -0.02 0.00 0.00 35.03 35.33 1q86 n LYS 75 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1q86 s GLY 76 N -2.36 1.61 0.50 0.72 0.00 -1.26 -4.80 107.32 101.73 1q86 s GLY 76 Ca 0.27 -0.42 0.37 0.00 0.00 0.00 0.00 44.72 44.95 1q86 s GLY 76 CO -0.11 0.02 1.67 0.00 0.00 0.00 0.00 173.10 174.68 1q86 h ALA 77 N -0.94 3.17 -0.00 3.20 0.00 -2.00 1.56 119.26 124.26 1q86 h ALA 77 Ca -0.46 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1q86 h ALA 77 Cb 1.28 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1q86 h ALA 77 CO 0.63 -1.67 -0.01 0.41 0.00 0.00 0.00 179.25 178.61 1q86 n GLY 78 N -1.72 -1.28 0.45 0.00 0.00 -1.26 -3.48 105.19 97.89 1q86 n GLY 78 Ca 0.35 -0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.27 1q86 n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1q86 n SER 79 N -1.29 2.06 -4.88 1.61 7.64 0.53 -4.98 113.62 114.31 1q86 n SER 79 Ca 0.13 -1.54 -0.35 0.00 1.01 0.00 0.00 58.87 58.12 1q86 n SER 79 Cb 0.25 -0.04 -0.05 0.00 -1.01 0.00 0.00 64.21 63.36 1q86 n SER 79 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1q86 s ARG 80 N -0.88 3.52 0.00 1.43 0.52 -1.11 -4.88 118.95 117.55 1q86 s ARG 80 Ca 0.14 -0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.23 1q86 s ARG 80 Cb 0.09 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.43 1q86 s ARG 80 CO 0.13 0.70 0.00 1.17 0.02 0.00 0.00 175.30 177.33 1q86 n LYS 81 N 1.42 1.10 -2.57 3.54 3.00 -1.26 -5.02 118.16 118.37 1q86 n LYS 81 Ca -0.14 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 57.90 1q86 n LYS 81 Cb 0.53 -0.93 0.01 0.00 0.00 0.00 0.00 35.03 34.65 1q86 n LYS 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1q86 s GLY 82 N -3.48 1.53 1.27 3.14 0.00 -1.26 -5.06 107.32 103.46 1q86 s GLY 82 Ca 0.00 -0.59 -0.16 0.00 0.00 0.00 0.00 44.72 43.97 1q86 s GLY 82 CO 0.00 -0.39 0.99 1.25 0.00 0.00 0.00 173.10 174.95 1q86 s LYS 83 N -4.81 -1.75 0.03 2.90 2.47 -1.26 -4.75 119.74 112.56 1q86 s LYS 83 Ca 0.49 0.61 -0.27 0.00 -1.56 0.00 0.00 55.97 55.24 1q86 s LYS 83 Cb -0.10 -1.47 -0.17 0.00 -1.46 0.00 0.00 37.83 34.63 1q86 s LYS 83 CO 0.45 -4.22 1.30 0.00 0.16 0.00 0.00 175.35 173.04 1q86 h ALA 84 N -2.97 -0.67 0.00 3.13 0.00 -1.97 -2.49 119.26 114.29 1q86 h ALA 84 Ca -0.57 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1q86 h ALA 84 Cb 1.34 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1q86 h ALA 84 CO 0.44 -0.76 0.00 0.41 0.00 0.00 0.00 179.25 179.34 1q86 n GLY 85 N -0.70 -0.24 0.13 0.00 0.00 -1.26 -1.15 105.19 101.97 1q86 n GLY 85 Ca -0.11 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 1q86 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q86 n ALA 86 N -1.10 0.92 0.09 4.61 0.00 -0.97 -3.77 120.51 120.29 1q86 n ALA 86 Ca 0.03 -0.62 -0.04 0.00 0.00 0.00 0.00 53.44 52.81 1q86 n ALA 86 Cb 0.02 -0.61 0.15 0.00 0.00 0.00 0.00 19.45 19.01 1q86 n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q86 h ARG 87 N -0.08 0.24 -3.15 0.00 3.08 -0.76 -3.42 114.38 110.29 1q86 h ARG 87 Ca -0.43 -0.15 -0.40 0.00 0.07 0.00 0.00 59.98 59.07 1q86 h ARG 87 Cb 1.93 0.02 -0.39 0.00 0.08 0.00 0.00 29.97 31.60 1q86 h ARG 87 CO 0.03 0.72 -0.73 -1.14 -1.07 0.00 0.00 179.97 177.78 1q86 s GLN 88 N -3.88 -0.00 -0.24 0.04 0.74 -0.76 -5.11 119.66 110.44 1q86 s GLN 88 Ca -0.04 0.20 -0.29 0.00 0.05 0.00 0.00 55.36 55.28 1q86 s GLN 88 Cb 0.12 -1.05 -0.02 0.00 1.10 0.00 0.00 33.01 33.16 1q86 s GLN 88 CO 0.79 -0.48 1.61 1.21 -0.55 0.00 0.00 175.29 177.87 1q86 s ASN 89 N 2.18 6.35 0.16 6.67 3.84 -1.25 -4.28 114.94 128.60 1q86 s ASN 89 Ca 0.04 1.53 -0.16 0.00 0.21 0.00 0.00 52.86 54.48 1q86 s ASN 89 Cb -0.14 -2.53 0.06 0.00 -0.55 0.00 0.00 41.25 38.09 1q86 s ASN 89 CO -0.06 -1.30 1.76 0.77 -2.79 0.00 0.00 177.10 175.48 1q86 h SER 90 N 10.85 0.19 -0.57 -4.21 4.64 -1.94 -0.92 113.55 121.59 1q86 h SER 90 Ca -0.33 0.03 0.06 0.00 -0.47 0.00 0.00 61.79 61.08 1q86 h SER 90 Cb 1.15 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.19 1q86 h SER 90 CO 1.01 0.15 0.29 0.50 -0.87 0.00 0.00 176.83 177.90 1q86 h LYS 91 N 0.32 0.52 -0.89 4.77 3.11 -1.98 0.53 116.57 122.95 1q86 h LYS 91 Ca 0.17 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.96 1q86 h LYS 91 Cb 0.12 -0.12 -0.04 0.00 -1.00 0.00 0.00 32.23 31.19 1q86 h LYS 91 CO -0.15 0.35 0.51 1.49 -2.81 0.00 0.00 179.45 178.83 1q86 h GLU 92 N 0.54 1.23 -0.37 1.90 4.81 -1.88 -1.09 114.58 119.72 1q86 h GLU 92 Ca 0.26 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 59.25 1q86 h GLU 92 Cb 0.19 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1q86 h GLU 92 CO -0.19 0.89 -0.20 0.22 -0.73 0.00 0.00 179.01 178.99 1q86 h ASP 93 N 1.24 0.72 -0.30 1.04 3.58 0.10 -1.13 116.42 121.68 1q86 h ASP 93 Ca 0.32 -0.25 -0.13 0.00 0.42 0.00 0.00 57.03 57.39 1q86 h ASP 93 Cb -0.00 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 1q86 h ASP 93 CO -0.05 0.92 -0.29 -0.25 -2.88 0.00 0.00 179.24 176.68 1q86 h TRP 94 N 0.63 0.94 -0.46 0.28 2.91 -0.43 -0.81 115.95 119.01 1q86 h TRP 94 Ca 0.09 -0.24 -0.01 0.00 1.13 0.00 0.00 58.89 59.86 1q86 h TRP 94 Cb 0.69 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 29.10 1q86 h TRP 94 CO 0.03 1.00 0.26 0.93 -1.03 0.00 0.00 178.44 179.64 1q86 h GLU 95 N 0.69 0.64 0.25 2.65 5.08 -0.90 0.43 114.58 123.42 1q86 h GLU 95 Ca 0.08 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1q86 h GLU 95 Cb 0.83 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1q86 h GLU 95 CO 0.07 0.50 -0.31 1.03 -1.00 0.00 0.00 179.01 179.30 1q86 h SER 96 N 0.61 -0.86 0.01 1.42 0.87 -0.86 -1.70 113.55 113.04 1q86 h SER 96 Ca 0.16 0.07 0.01 0.00 -1.23 0.00 0.00 61.79 60.81 1q86 h SER 96 Cb 0.03 0.29 -0.04 0.00 -0.44 0.00 0.00 62.40 62.25 1q86 h SER 96 CO -0.03 -0.39 -0.36 0.03 -0.53 0.00 0.00 176.83 175.55 1q86 h ARG 97 N -0.57 -0.45 -0.89 2.24 3.08 -0.95 -2.18 114.38 114.66 1q86 h ARG 97 Ca -0.03 0.03 0.21 0.00 0.07 0.00 0.00 59.98 60.26 1q86 h ARG 97 Cb 0.51 0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.60 1q86 h ARG 97 CO -0.07 -0.30 0.59 0.97 -1.07 0.00 0.00 179.97 180.10 1q86 h ILE 98 N -0.46 0.66 -0.27 2.04 -0.00 -0.92 0.93 117.51 119.49 1q86 h ILE 98 Ca 0.01 -0.12 -0.09 0.00 -0.00 0.00 0.00 64.86 64.66 1q86 h ILE 98 Cb 0.49 0.29 -0.01 0.00 -0.00 0.00 0.00 36.82 37.60 1q86 h ILE 98 CO -0.24 0.06 -0.19 0.03 -0.00 0.00 0.00 178.15 177.81 1q86 h ARG 99 N 0.34 0.61 0.27 2.19 3.08 -0.93 -0.72 114.38 119.21 1q86 h ARG 99 Ca 0.46 -0.29 0.01 0.00 0.07 0.00 0.00 59.98 60.22 1q86 h ARG 99 Cb 1.23 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.25 1q86 h ARG 99 CO -0.15 0.88 -0.33 0.00 -1.07 0.00 0.00 179.97 179.30 1q86 h ALA 100 N 0.72 -0.66 -0.81 0.04 0.00 -0.25 0.60 119.26 118.90 1q86 h ALA 100 Ca 0.05 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.02 1q86 h ALA 100 Cb 0.73 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 1q86 h ALA 100 CO 0.05 -0.92 0.53 1.96 0.00 0.00 0.00 179.25 180.88 1q86 h GLN 101 N -0.65 0.52 0.00 0.00 4.20 -1.13 0.16 115.11 118.21 1q86 h GLN 101 Ca -0.00 -0.03 -0.19 0.00 0.06 0.00 0.00 58.65 58.48 1q86 h GLN 101 Cb 0.61 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1q86 h GLN 101 CO -0.10 0.34 -0.86 0.00 -0.67 0.00 0.00 178.83 177.54 1q86 h ARG 102 N 0.53 0.14 -0.16 1.46 3.08 -0.43 -2.65 114.38 116.36 1q86 h ARG 102 Ca 0.40 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 60.25 1q86 h ARG 102 Cb 0.79 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.88 1q86 h ARG 102 CO -0.15 0.91 -0.11 1.15 -1.07 0.00 0.00 179.97 180.70 1q86 h THR 103 N 0.08 1.33 -0.00 2.04 2.02 0.43 -1.98 112.91 116.82 1q86 h THR 103 Ca -0.03 -1.20 0.01 0.00 0.77 0.00 0.00 66.41 65.96 1q86 h THR 103 Cb 1.49 1.78 -0.03 0.00 -1.74 0.00 0.00 68.15 69.65 1q86 h THR 103 CO 0.13 0.35 -0.27 0.50 0.37 0.00 0.00 175.52 176.60 1q86 h LYS 104 N 0.00 -0.32 -0.99 6.66 1.63 -1.01 -0.07 116.57 122.47 1q86 h LYS 104 Ca 0.03 0.02 0.24 0.00 -0.85 0.00 0.00 60.65 60.09 1q86 h LYS 104 Cb 0.60 0.07 -0.09 0.00 -0.60 0.00 0.00 32.23 32.22 1q86 h LYS 104 CO 0.03 -0.21 0.64 -0.07 -3.45 0.00 0.00 179.45 176.39 1q86 h LEU 105 N -0.33 0.47 -0.27 5.20 3.38 -1.53 -0.00 115.31 122.23 1q86 h LEU 105 Ca 0.01 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1q86 h LEU 105 Cb 0.36 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1q86 h LEU 105 CO -0.18 0.14 0.14 -0.09 0.09 0.00 0.00 178.44 178.54 1q86 h ARG 106 N 0.44 0.29 0.72 1.13 2.43 -0.27 -2.04 114.38 117.09 1q86 h ARG 106 Ca 0.55 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.67 1q86 h ARG 106 Cb 1.33 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1q86 h ARG 106 CO -0.26 0.19 -0.34 0.93 -1.51 0.00 0.00 179.97 178.98 1q86 h GLU 107 N 0.30 -0.93 -1.23 0.20 5.08 0.49 -2.67 114.58 115.81 1q86 h GLU 107 Ca 0.11 0.06 0.35 0.00 -1.00 0.00 0.00 59.36 58.88 1q86 h GLU 107 Cb 0.01 0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.41 1q86 h GLU 107 CO -0.06 -0.59 0.87 -0.07 -1.00 0.00 0.00 179.01 178.16 1q86 h LEU 108 N -1.12 0.09 0.08 1.33 3.38 -1.32 0.26 115.31 118.00 1q86 h LEU 108 Ca -0.10 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1q86 h LEU 108 Cb 0.76 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1q86 h LEU 108 CO 0.16 0.00 -0.04 -0.09 0.09 0.00 0.00 178.44 178.57 1q86 h ARG 109 N 0.07 -0.10 -0.10 1.13 2.43 -1.12 -1.25 114.38 115.44 1q86 h ARG 109 Ca 0.61 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.75 1q86 h ARG 109 Cb 2.28 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.84 1q86 h ARG 109 CO -0.08 0.45 -0.13 -0.44 -1.51 0.00 0.00 179.97 178.27 1q86 h ASP 110 N -0.76 0.14 0.92 -3.80 3.32 -0.84 -1.10 116.42 114.29 1q86 h ASP 110 Ca -0.01 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1q86 h ASP 110 Cb 0.60 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1q86 h ASP 110 CO 0.02 0.28 0.00 -0.08 -1.72 0.00 0.00 179.24 177.74 1q86 h GLU 111 N 0.14 0.00 0.00 3.56 4.81 -0.56 -3.47 114.58 119.06 1q86 h GLU 111 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1q86 h GLU 111 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1q86 h GLU 111 CO 0.02 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.71 1q86 n GLY 112 N 0.14 3.45 0.34 1.92 0.00 -0.42 -4.93 105.19 105.69 1q86 n GLY 112 Ca 0.02 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.20 1q86 n GLY 112 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1q86 h THR 113 N 0.00 0.63 -3.70 2.61 2.02 -1.47 -3.41 112.91 109.59 1q86 h THR 113 Ca 0.00 0.00 -0.57 0.00 0.77 0.00 0.00 66.41 66.61 1q86 h THR 113 Cb 0.00 0.83 -0.32 0.00 -1.74 0.00 0.00 68.15 66.92 1q86 h THR 113 CO 0.00 0.00 -0.84 -0.76 0.37 0.00 0.00 175.52 174.29 1q86 s LEU 114 N -8.15 1.87 0.22 2.58 1.43 -0.95 -4.99 118.68 110.68 1q86 s LEU 114 Ca -0.05 -0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 52.39 1q86 s LEU 114 Cb 0.17 -1.00 -0.08 0.00 0.03 0.00 0.00 46.19 45.31 1q86 s LEU 114 CO 0.62 0.12 0.93 -0.94 0.23 0.00 0.00 176.35 177.31 1q86 s SER 115 N 0.24 7.61 0.00 2.29 1.04 -1.26 -4.54 113.70 119.07 1q86 s SER 115 Ca -0.09 1.91 0.00 0.00 0.48 0.00 0.00 55.95 58.25 1q86 s SER 115 Cb -0.13 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.39 1q86 s SER 115 CO 0.03 0.13 0.04 -1.54 0.98 0.00 0.00 173.24 172.88 1q86 n SER 116 N 1.69 0.00 -0.06 7.02 3.41 -1.26 0.83 113.62 125.26 1q86 n SER 116 Ca -0.02 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.53 1q86 n SER 116 Cb 0.47 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.36 1q86 n SER 116 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1q86 n SER 117 N -0.30 2.78 0.02 4.04 3.41 -1.26 -3.80 113.62 118.50 1q86 n SER 117 Ca 0.00 -0.03 -0.19 0.00 -0.26 0.00 0.00 58.87 58.39 1q86 n SER 117 Cb 0.00 0.29 -0.09 0.00 -0.26 0.00 0.00 64.21 64.15 1q86 n SER 117 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1q86 h GLN 118 N 0.00 0.72 0.08 4.33 4.20 0.08 -1.91 115.11 122.61 1q86 h GLN 118 Ca -0.28 -0.71 0.01 0.00 0.06 0.00 0.00 58.65 57.74 1q86 h GLN 118 Cb 1.53 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 29.47 1q86 h GLN 118 CO -0.01 1.30 -0.17 -0.92 -0.67 0.00 0.00 178.83 178.35 1q86 h TYR 119 N 0.44 -0.45 -0.19 2.96 3.20 -1.55 0.98 116.97 122.37 1q86 h TYR 119 Ca -0.10 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.83 1q86 h TYR 119 Cb 1.59 0.19 -0.07 0.00 1.54 0.00 0.00 36.73 39.99 1q86 h TYR 119 CO 0.10 -0.26 -0.29 -0.09 -1.64 0.00 0.00 178.16 175.98 1q86 h ARG 120 N -0.33 -0.32 -0.45 1.82 9.65 -1.64 0.69 114.38 123.81 1q86 h ARG 120 Ca 0.03 0.02 0.05 0.00 -1.10 0.00 0.00 59.98 58.98 1q86 h ARG 120 Cb 0.35 0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.96 1q86 h ARG 120 CO -0.11 -0.21 0.18 0.22 2.80 0.00 0.00 179.97 182.86 1q86 h ASP 121 N -0.33 0.22 -0.46 -3.80 1.82 -1.00 -0.68 116.42 112.20 1q86 h ASP 121 Ca 0.12 0.04 -0.12 0.00 -0.39 0.00 0.00 57.03 56.68 1q86 h ASP 121 Cb 0.51 0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.51 1q86 h ASP 121 CO -0.38 0.16 -0.17 -0.07 -1.61 0.00 0.00 179.24 177.18 1q86 h LEU 122 N 0.37 0.96 0.37 2.28 3.38 -0.05 -2.52 115.31 120.10 1q86 h LEU 122 Ca 0.20 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1q86 h LEU 122 Cb 0.17 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1q86 h LEU 122 CO -0.19 1.11 -0.23 0.22 0.09 0.00 0.00 178.44 179.44 1q86 h TYR 123 N 0.84 -0.60 0.00 1.13 3.20 0.88 -1.12 116.97 121.30 1q86 h TYR 123 Ca 0.12 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 1q86 h TYR 123 Cb 0.72 0.22 -0.00 0.00 1.54 0.00 0.00 36.73 39.21 1q86 h TYR 123 CO 0.05 -0.36 -0.01 -0.44 -1.64 0.00 0.00 178.16 175.76 1q86 h ASP 124 N -0.57 0.00 0.78 -2.11 3.32 -1.13 -1.26 116.42 115.44 1q86 h ASP 124 Ca -0.04 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.84 1q86 h ASP 124 Cb 0.48 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 1q86 h ASP 124 CO 0.04 0.01 -0.82 0.11 -1.72 0.00 0.00 179.24 176.85 1q86 h LYS 125 N 0.00 0.03 -0.09 3.56 1.57 -0.98 -2.37 116.57 118.28 1q86 h LYS 125 Ca -0.00 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 1q86 h LYS 125 Cb 0.02 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1q86 h LYS 125 CO 0.00 0.83 -0.39 0.00 -0.57 0.00 0.00 179.45 179.32 1q86 h ALA 126 N 1.16 0.17 0.00 3.86 0.00 -0.27 -0.46 119.26 123.71 1q86 h ALA 126 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1q86 h ALA 126 Cb 1.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1q86 h ALA 126 CO 0.11 0.28 0.00 0.41 0.00 0.00 0.00 179.25 180.05 1q86 n GLY 127 N 0.66 -0.89 0.73 0.00 0.00 -0.57 0.65 105.19 105.78 1q86 n GLY 127 Ca -0.08 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1q86 n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q86 n GLY 128 N -0.83 0.53 2.26 -0.02 0.00 -0.89 -4.95 105.19 101.29 1q86 n GLY 128 Ca 0.01 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 1q86 n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q86 n GLY 129 N 1.27 0.26 0.15 -0.02 0.00 0.21 -4.95 105.19 102.11 1q86 n GLY 129 Ca 0.16 -0.39 0.07 0.00 0.00 0.00 0.00 46.02 45.86 1q86 n GLY 129 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1q86 h GLU 130 N -0.71 0.00 -5.09 1.61 4.39 -1.23 -3.45 114.58 110.10 1q86 h GLU 130 Ca -0.21 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 58.83 1q86 h GLU 130 Cb 1.14 0.00 -0.27 0.00 -0.10 0.00 0.00 28.75 29.53 1q86 h GLU 130 CO 0.22 0.19 -0.72 -0.06 -1.16 0.00 0.00 179.01 177.47 1q86 s PHE 131 N -3.13 2.94 0.18 4.33 2.99 -1.26 -5.00 117.98 119.03 1q86 s PHE 131 Ca 0.03 -0.79 -0.12 0.00 0.00 0.00 0.00 56.93 56.05 1q86 s PHE 131 Cb 0.07 -2.04 0.08 0.00 0.00 0.00 0.00 43.02 41.13 1q86 s PHE 131 CO 0.74 -0.42 1.75 -0.44 -0.00 0.00 0.00 175.22 176.85 1q86 h ASP 132 N 7.69 0.83 -3.00 1.36 3.32 -1.91 -3.47 116.42 121.23 1q86 h ASP 132 Ca -0.37 -0.15 -0.15 0.00 0.02 0.00 0.00 57.03 56.37 1q86 h ASP 132 Cb 1.17 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.48 1q86 h ASP 132 CO 0.60 0.75 -0.03 -1.54 -1.72 0.00 0.00 179.24 177.30 1q86 n SER 133 N -4.48 -1.07 0.17 6.45 3.41 -1.26 -5.02 113.62 111.83 1q86 n SER 133 Ca 0.04 -2.23 -0.14 0.00 -0.26 0.00 0.00 58.87 56.28 1q86 n SER 133 Cb 0.15 1.92 -0.08 0.00 -0.26 0.00 0.00 64.21 65.94 1q86 n SER 133 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1q86 h VAL 134 N 1.68 0.72 -0.74 -3.33 2.07 -1.91 -2.18 116.25 112.56 1q86 h VAL 134 Ca -0.19 -0.30 0.15 0.00 0.82 0.00 0.00 66.70 67.18 1q86 h VAL 134 Cb 0.81 0.89 -0.14 0.00 -1.52 0.00 0.00 31.29 31.33 1q86 h VAL 134 CO 0.26 0.06 -0.14 0.00 0.02 0.00 0.00 177.57 177.77 1q86 h ALA 135 N 0.07 0.56 0.00 1.67 0.00 -1.99 0.84 119.26 120.41 1q86 h ALA 135 Ca -0.04 0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1q86 h ALA 135 Cb 0.42 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1q86 h ALA 135 CO 0.07 -0.42 -0.12 0.22 0.00 0.00 0.00 179.25 179.00 1q86 h ASP 136 N 0.02 0.00 0.50 0.00 3.58 -1.93 0.48 116.42 119.07 1q86 h ASP 136 Ca 0.37 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.80 1q86 h ASP 136 Cb 0.59 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1q86 h ASP 136 CO -0.74 0.12 -0.24 0.25 -2.88 0.00 0.00 179.24 175.76 1q86 h LEU 137 N 0.00 -0.57 -0.59 2.28 5.85 0.12 -2.34 115.31 120.06 1q86 h LEU 137 Ca -0.00 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.84 1q86 h LEU 137 Cb 0.24 0.15 -0.11 0.00 0.37 0.00 0.00 40.66 41.30 1q86 h LEU 137 CO 0.02 -0.15 -0.32 -0.33 -0.34 0.00 0.00 178.44 177.32 1q86 h GLU 138 N -1.17 -0.15 -0.66 1.25 5.08 -0.64 0.23 114.58 118.52 1q86 h GLU 138 Ca -0.07 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.44 1q86 h GLU 138 Cb 0.52 0.03 -0.12 0.00 0.50 0.00 0.00 28.75 29.69 1q86 h GLU 138 CO 0.11 -0.10 -0.04 0.00 -1.00 0.00 0.00 179.01 177.99 1q86 h ARG 139 N -0.15 0.08 -0.66 2.33 3.08 -0.94 0.91 114.38 119.03 1q86 h ARG 139 Ca 0.24 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.22 1q86 h ARG 139 Cb 0.55 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 1q86 h ARG 139 CO -0.68 0.05 0.14 -0.92 -1.07 0.00 0.00 179.97 177.50 1q86 h TYR 140 N 0.08 1.11 -0.96 3.04 3.20 -0.20 -2.81 116.97 120.44 1q86 h TYR 140 Ca 0.34 -0.13 0.13 0.00 3.14 0.00 0.00 58.73 62.21 1q86 h TYR 140 Cb 0.57 -0.31 -0.09 0.00 1.54 0.00 0.00 36.73 38.43 1q86 h TYR 140 CO -0.42 0.92 0.58 0.82 -1.64 0.00 0.00 178.16 178.42 1q86 h ILE 141 N 1.00 0.86 0.00 1.81 2.04 0.18 -0.21 117.51 123.19 1q86 h ILE 141 Ca 0.21 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1q86 h ILE 141 Cb 0.38 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1q86 h ILE 141 CO 0.00 0.16 0.00 0.47 0.00 0.00 0.00 178.15 178.78 1q86 n ASP 142 N -4.70 1.43 0.00 1.72 8.00 -0.82 -5.10 116.55 117.08 1q86 n ASP 142 Ca 0.19 -1.39 0.00 0.00 0.71 0.00 0.00 54.79 54.30 1q86 n ASP 142 Cb 0.39 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1q86 n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81