#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n59 s ILE 4 N 0.00 5.33 -0.13 1.47 1.01 -1.26 -0.92 121.20 126.70 3n59 s ILE 4 Ca 0.00 0.40 -0.00 0.00 0.00 0.00 0.00 60.65 61.05 3n59 s ILE 4 Cb 0.00 -3.58 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 3n59 s ILE 4 CO 0.00 0.37 -0.13 -0.69 0.00 0.00 0.00 174.94 174.48 3n59 s VAL 5 N 0.73 3.04 -0.35 2.92 1.01 0.82 -4.15 120.40 124.42 3n59 s VAL 5 Ca 0.13 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 61.29 3n59 s VAL 5 Cb -0.13 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 3n59 s VAL 5 CO 0.03 0.52 0.34 0.20 0.00 0.00 0.00 175.10 176.19 3n59 s ASN 6 N 0.34 6.15 -0.36 3.32 0.01 -0.70 -0.65 114.94 123.05 3n59 s ASN 6 Ca -0.11 -0.31 -0.14 0.00 -0.71 0.00 0.00 52.86 51.59 3n59 s ASN 6 Cb -0.16 -2.18 -0.00 0.00 0.41 0.00 0.00 41.25 39.31 3n59 s ASN 6 CO 0.06 -0.33 0.27 -0.69 -1.51 0.00 0.00 177.10 174.90 3n59 s VAL 7 N 1.95 5.27 -0.19 1.60 1.01 0.42 -0.52 120.40 129.94 3n59 s VAL 7 Ca 0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 3n59 s VAL 7 Cb -0.17 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.42 3n59 s VAL 7 CO 0.11 -0.12 -0.12 -0.63 0.00 0.00 0.00 175.10 174.34 3n59 s ILE 8 N 1.74 2.74 -0.14 2.22 1.01 -0.19 -1.05 121.20 127.53 3n59 s ILE 8 Ca 0.06 -0.72 -0.03 0.00 0.00 0.00 0.00 60.65 59.96 3n59 s ILE 8 Cb -0.18 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.06 3n59 s ILE 8 CO 0.11 0.49 -0.02 0.20 0.00 0.00 0.00 174.94 175.72 3n59 s ASN 9 N 1.25 5.01 0.08 3.58 0.01 0.41 -1.54 114.94 123.73 3n59 s ASN 9 Ca 0.03 -0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.15 3n59 s ASN 9 Cb -0.14 -1.69 0.00 0.00 0.41 0.00 0.00 41.25 39.83 3n59 s ASN 9 CO -0.06 0.23 0.00 0.61 -1.51 0.00 0.00 177.10 176.37 3n59 n GLY 10 N 3.10 0.56 3.58 0.66 0.00 0.23 -1.42 105.19 111.91 3n59 n GLY 10 Ca -0.18 -1.85 -0.46 0.00 0.00 0.00 0.00 46.02 43.54 3n59 n GLY 10 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3n59 n PRO 11 N -0.16 1.27 -0.08 1.61 -0.02 -1.08 -2.81 135.00 133.73 3n59 n PRO 11 Ca 0.00 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3n59 n PRO 11 Cb 0.00 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3n59 n PRO 11 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3n59 n ASN 12 N 1.45 0.00 0.12 2.55 3.02 -1.26 -4.57 115.26 116.56 3n59 n ASN 12 Ca 0.11 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.79 3n59 n ASN 12 Cb 0.30 -0.47 0.43 0.00 -0.61 0.00 0.00 39.78 39.43 3n59 n ASN 12 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3n59 n LEU 13 N 0.00 0.82 0.16 3.41 4.77 -1.12 -1.84 117.00 123.20 3n59 n LEU 13 Ca 0.00 0.61 0.13 0.00 -0.03 0.00 0.00 56.01 56.72 3n59 n LEU 13 Cb 0.00 -0.39 0.49 0.00 -2.33 0.00 0.00 43.42 41.19 3n59 n LEU 13 CO 0.00 -0.30 0.89 1.23 -1.33 0.00 0.00 177.39 177.88 3n59 h GLY 14 N 3.85 0.00 -1.01 -0.72 0.00 -1.88 -3.14 103.07 100.17 3n59 h GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3n59 h GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 3n59 n ARG 15 N -2.50 1.71 -1.68 4.80 5.12 -0.76 -4.61 116.66 118.73 3n59 n ARG 15 Ca 0.03 -1.09 -0.45 0.00 -1.93 0.00 0.00 57.85 54.41 3n59 n ARG 15 Cb 0.32 -1.29 -0.03 0.00 -1.16 0.00 0.00 32.46 30.30 3n59 n ARG 15 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3n59 n LEU 16 N 0.36 3.23 0.00 0.55 4.77 -1.19 -3.46 117.00 121.26 3n59 n LEU 16 Ca 0.12 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 57.20 3n59 n LEU 16 Cb 0.28 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 39.92 3n59 n LEU 16 CO 0.09 -0.29 0.00 0.61 -1.33 0.00 0.00 177.39 176.47 3n59 n GLY 17 N 3.00 2.37 2.57 -0.72 0.00 -1.16 -4.07 105.19 107.18 3n59 n GLY 17 Ca 0.15 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 45.05 3n59 n GLY 17 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3n59 n ARG 18 N 0.00 2.99 0.00 1.61 1.85 -1.22 -4.03 116.66 117.86 3n59 n ARG 18 Ca 0.00 -2.22 0.00 0.00 -1.00 0.00 0.00 57.85 54.63 3n59 n ARG 18 Cb 0.00 -2.95 0.00 0.00 -1.05 0.00 0.00 32.46 28.46 3n59 n ARG 18 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3n59 n GLY 25 N 3.88 -2.53 0.00 2.89 0.00 -1.26 -4.99 105.19 103.18 3n59 n GLY 25 Ca 0.62 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3n59 n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n59 n GLY 26 N 0.00 1.83 3.69 -0.02 0.00 -1.26 -5.12 105.19 104.31 3n59 n GLY 26 Ca 0.00 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3n59 n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n59 s THR 27 N 0.00 3.79 0.66 2.61 2.01 -1.26 -4.60 115.64 118.85 3n59 s THR 27 Ca 0.00 1.16 -0.06 0.00 0.31 0.00 0.00 61.69 63.10 3n59 s THR 27 Cb 0.00 -3.75 0.04 0.00 0.01 0.00 0.00 72.50 68.80 3n59 s THR 27 CO 0.00 -0.00 0.97 0.42 -0.69 0.00 0.00 174.62 175.31 3n59 s THR 28 N 2.39 2.78 0.19 -0.82 -4.23 -1.26 -3.00 115.64 111.70 3n59 s THR 28 Ca 0.63 -0.18 -0.09 0.00 -1.18 0.00 0.00 61.69 60.86 3n59 s THR 28 Cb -0.30 -3.16 0.09 0.00 1.34 0.00 0.00 72.50 70.46 3n59 s THR 28 CO 0.26 -0.17 1.67 -0.74 -0.54 0.00 0.00 174.62 175.10 3n59 h HIS 29 N -0.42 1.19 -0.57 3.99 6.17 -1.82 -0.04 115.15 123.66 3n59 h HIS 29 Ca -0.45 -0.18 0.05 0.00 0.71 0.00 0.00 60.37 60.51 3n59 h HIS 29 Cb 1.29 -0.32 -0.05 0.00 2.52 0.00 0.00 27.41 30.85 3n59 h HIS 29 CO 0.39 1.01 0.29 -0.44 0.71 0.00 0.00 177.93 179.89 3n59 h ASP 30 N 1.03 0.41 -0.41 3.26 3.32 -1.94 0.71 116.42 122.80 3n59 h ASP 30 Ca 0.20 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.20 3n59 h ASP 30 Cb 0.48 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 3n59 h ASP 30 CO 0.02 0.27 -0.04 -0.33 -1.72 0.00 0.00 179.24 177.44 3n59 h GLU 31 N 0.55 0.83 -0.55 3.56 5.08 -1.88 -2.34 114.58 119.83 3n59 h GLU 31 Ca 0.26 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3n59 h GLU 31 Cb 0.18 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3n59 h GLU 31 CO -0.18 0.85 0.19 1.25 -1.00 0.00 0.00 179.01 180.12 3n59 h LEU 32 N 0.76 0.78 -0.66 1.33 5.85 -0.29 -1.74 115.31 121.34 3n59 h LEU 32 Ca 0.14 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.67 3n59 h LEU 32 Cb 0.51 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3n59 h LEU 32 CO 0.03 0.77 0.44 0.58 -0.34 0.00 0.00 178.44 179.91 3n59 h VAL 33 N 0.75 1.17 -0.82 1.05 2.07 -0.75 -1.53 116.25 118.19 3n59 h VAL 33 Ca 0.18 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.40 3n59 h VAL 33 Cb 0.25 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 3n59 h VAL 33 CO -0.01 0.16 0.54 0.00 0.02 0.00 0.00 177.57 178.29 3n59 h ALA 34 N 1.24 1.04 -0.48 1.67 0.00 -1.15 -0.77 119.26 120.82 3n59 h ALA 34 Ca 0.24 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3n59 h ALA 34 Cb -0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 3n59 h ALA 34 CO -0.05 0.46 -0.13 -0.07 0.00 0.00 0.00 179.25 179.46 3n59 h LEU 35 N 1.12 0.95 -0.16 0.00 3.38 -1.01 -2.38 115.31 117.21 3n59 h LEU 35 Ca 0.30 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3n59 h LEU 35 Cb -0.12 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.36 3n59 h LEU 35 CO -0.06 1.10 0.01 0.40 0.09 0.00 0.00 178.44 179.97 3n59 h ILE 36 N 0.79 1.24 -0.84 1.22 2.04 -1.02 -1.95 117.51 119.00 3n59 h ILE 36 Ca 0.12 -0.80 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 3n59 h ILE 36 Cb 0.69 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 3n59 h ILE 36 CO 0.05 0.24 0.43 -0.33 0.00 0.00 0.00 178.15 178.54 3n59 h GLU 37 N 0.03 1.19 -0.43 2.37 5.08 -1.17 -0.48 114.58 121.17 3n59 h GLU 37 Ca 0.05 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.14 3n59 h GLU 37 Cb 0.36 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3n59 h GLU 37 CO 0.01 0.89 -0.14 -0.09 -1.00 0.00 0.00 179.01 178.68 3n59 h ARG 38 N 1.19 0.86 -0.49 2.33 2.43 -1.40 -2.44 114.38 116.85 3n59 h ARG 38 Ca 0.29 -0.35 -0.12 0.00 -0.81 0.00 0.00 59.98 58.99 3n59 h ARG 38 Cb 0.07 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3n59 h ARG 38 CO -0.04 0.99 -0.16 1.49 -1.51 0.00 0.00 179.97 180.73 3n59 h GLU 39 N 0.68 0.98 -0.11 0.20 4.57 -1.07 -2.26 114.58 117.57 3n59 h GLU 39 Ca 0.10 -0.40 -0.01 0.00 -1.18 0.00 0.00 59.36 57.87 3n59 h GLU 39 Cb 0.69 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.23 3n59 h GLU 39 CO 0.05 1.07 0.03 0.00 -1.18 0.00 0.00 179.01 178.98 3n59 h ALA 40 N 0.88 0.15 -0.76 2.92 0.00 -1.08 -1.47 119.26 119.91 3n59 h ALA 40 Ca 0.12 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3n59 h ALA 40 Cb 0.74 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3n59 h ALA 40 CO 0.06 -0.22 0.50 0.00 0.00 0.00 0.00 179.25 179.59 3n59 h ALA 41 N 0.82 1.51 0.00 0.00 0.00 -1.24 0.47 119.26 120.82 3n59 h ALA 41 Ca 0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3n59 h ALA 41 Cb 0.25 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3n59 h ALA 41 CO 0.00 0.43 -0.26 1.49 0.00 0.00 0.00 179.25 180.92 3n59 h GLU 42 N 0.97 0.00 -0.07 0.00 4.81 -1.18 -2.60 114.58 116.51 3n59 h GLU 42 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 3n59 h GLU 42 Cb -0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3n59 h GLU 42 CO -0.07 0.26 0.00 1.28 -0.73 0.00 0.00 179.01 179.74 3n59 n LEU 43 N -4.14 2.27 0.00 1.64 4.77 -0.31 -4.94 117.00 116.29 3n59 n LEU 43 Ca -0.02 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 3n59 n LEU 43 Cb 0.32 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3n59 n LEU 43 CO 0.37 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 3n59 n GLY 44 N 1.27 0.40 3.68 -0.72 0.00 -0.42 -4.97 105.19 104.44 3n59 n GLY 44 Ca 0.17 -1.03 -0.25 0.00 0.00 0.00 0.00 46.02 44.92 3n59 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n59 s LEU 45 N 0.00 3.06 -0.14 0.99 1.43 0.15 -4.73 118.68 119.45 3n59 s LEU 45 Ca 0.00 -1.01 0.02 0.00 -1.03 0.00 0.00 54.13 52.11 3n59 s LEU 45 Cb 0.00 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.82 3n59 s LEU 45 CO 0.00 -0.36 -0.20 -0.75 0.23 0.00 0.00 176.35 175.27 3n59 s LYS 46 N -3.80 3.09 -0.18 1.70 2.36 -0.10 -2.74 119.74 120.08 3n59 s LYS 46 Ca 0.37 -0.82 -0.06 0.00 -2.55 0.00 0.00 55.97 52.91 3n59 s LYS 46 Cb 0.02 -2.48 -0.03 0.00 -1.05 0.00 0.00 37.83 34.28 3n59 s LYS 46 CO 0.21 0.03 0.02 0.00 1.55 0.00 0.00 175.35 177.15 3n59 s ALA 47 N 0.74 3.19 -0.32 3.13 0.00 -1.26 -0.13 121.76 127.12 3n59 s ALA 47 Ca -0.08 -0.84 -0.06 0.00 0.00 0.00 0.00 51.96 50.98 3n59 s ALA 47 Cb -0.16 -1.78 0.03 0.00 0.00 0.00 0.00 23.12 21.21 3n59 s ALA 47 CO 0.00 0.09 0.08 0.08 0.00 0.00 0.00 175.76 176.02 3n59 s VAL 48 N 0.55 3.79 -0.21 0.00 1.01 0.18 -4.87 120.40 120.84 3n59 s VAL 48 Ca 0.00 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 3n59 s VAL 48 Cb -0.14 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 3n59 s VAL 48 CO 0.02 -0.05 -0.01 -0.69 0.00 0.00 0.00 175.10 174.37 3n59 s VAL 49 N 1.43 3.80 -0.01 2.92 1.01 -1.26 -0.44 120.40 127.87 3n59 s VAL 49 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.63 3n59 s VAL 49 Cb -0.18 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.47 3n59 s VAL 49 CO 0.02 0.42 -0.02 -0.13 0.00 0.00 0.00 175.10 175.39 3n59 s ARG 50 N 1.16 0.20 -0.03 2.72 0.52 -0.22 -5.00 118.95 118.30 3n59 s ARG 50 Ca 0.03 -0.06 0.06 0.00 -0.52 0.00 0.00 55.73 55.24 3n59 s ARG 50 Cb -0.14 -0.23 -0.01 0.00 0.52 0.00 0.00 34.95 35.08 3n59 s ARG 50 CO 0.01 0.02 -0.21 -1.14 0.02 0.00 0.00 175.30 174.00 3n59 s GLN 51 N 0.12 1.83 -0.14 3.54 -0.44 -1.26 -0.45 119.66 122.85 3n59 s GLN 51 Ca -0.01 -0.75 -0.19 0.00 -2.50 0.00 0.00 55.36 51.92 3n59 s GLN 51 Cb -0.03 -1.70 0.05 0.00 -1.64 0.00 0.00 33.01 29.69 3n59 s GLN 51 CO -0.00 0.41 0.49 0.45 0.50 0.00 0.00 175.29 177.13 3n59 s SER 52 N -0.36 -0.49 0.00 6.67 0.15 -0.51 -4.98 113.70 114.19 3n59 s SER 52 Ca 0.04 0.83 0.26 0.00 0.70 0.00 0.00 55.95 57.79 3n59 s SER 52 Cb -0.09 0.86 0.72 0.00 -1.71 0.00 0.00 66.02 65.79 3n59 s SER 52 CO 0.00 -0.27 1.57 0.47 1.20 0.00 0.00 173.24 176.21 3n59 n ASP 53 N 2.35 0.35 -4.64 5.45 8.00 -1.26 -2.62 116.55 124.18 3n59 n ASP 53 Ca -0.15 -0.03 -0.40 0.00 0.71 0.00 0.00 54.79 54.92 3n59 n ASP 53 Cb 0.56 0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.63 3n59 n ASP 53 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3n59 s SER 54 N -3.01 6.63 0.24 -2.24 0.15 -1.26 -4.63 113.70 109.59 3n59 s SER 54 Ca 0.12 0.77 -0.07 0.00 0.70 0.00 0.00 55.95 57.47 3n59 s SER 54 Cb 0.18 -2.35 0.25 0.00 -1.71 0.00 0.00 66.02 62.40 3n59 s SER 54 CO 0.65 -0.34 1.91 -0.08 1.20 0.00 0.00 173.24 176.58 3n59 h GLU 55 N 7.73 1.23 -0.69 5.44 4.81 -2.00 -2.13 114.58 128.97 3n59 h GLU 55 Ca -0.28 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 58.88 3n59 h GLU 55 Cb 1.13 -0.28 -0.03 0.00 0.63 0.00 0.00 28.75 30.20 3n59 h GLU 55 CO 0.78 0.81 0.46 0.00 -0.73 0.00 0.00 179.01 180.33 3n59 h ALA 56 N 1.36 0.88 -0.66 2.92 0.00 -1.99 0.19 119.26 121.95 3n59 h ALA 56 Ca 0.35 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3n59 h ALA 56 Cb -0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 3n59 h ALA 56 CO -0.09 0.31 0.37 0.37 0.00 0.00 0.00 179.25 180.21 3n59 h GLN 57 N 0.94 0.91 -0.23 0.00 5.75 -1.90 -2.07 115.11 118.51 3n59 h GLN 57 Ca 0.25 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 58.64 3n59 h GLN 57 Cb -0.10 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.25 3n59 h GLN 57 CO -0.05 0.68 0.08 -0.07 -2.65 0.00 0.00 178.83 176.81 3n59 h LEU 58 N 0.90 0.32 -0.52 -2.39 3.38 -0.95 -2.44 115.31 113.61 3n59 h LEU 58 Ca 0.23 -0.19 0.09 0.00 0.09 0.00 0.00 57.88 58.10 3n59 h LEU 58 Cb 0.03 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.62 3n59 h LEU 58 CO -0.04 0.42 0.10 -0.07 0.09 0.00 0.00 178.44 178.94 3n59 h LEU 59 N 0.20 -0.01 -0.78 1.67 3.38 -0.81 -1.52 115.31 117.44 3n59 h LEU 59 Ca 0.07 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.17 3n59 h LEU 59 Cb 0.21 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 3n59 h LEU 59 CO -0.00 0.02 0.50 -0.78 0.09 0.00 0.00 178.44 178.27 3n59 h ASP 60 N 0.23 0.84 -0.34 -0.43 3.58 -1.28 -1.01 116.42 118.01 3n59 h ASP 60 Ca 0.26 -0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.63 3n59 h ASP 60 Cb 0.36 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 3n59 h ASP 60 CO -0.34 0.58 -0.04 -0.50 -2.88 0.00 0.00 179.24 176.06 3n59 h TRP 61 N 0.99 0.79 -0.43 0.28 6.55 -0.88 -2.07 115.95 121.17 3n59 h TRP 61 Ca 0.31 -0.12 -0.15 0.00 0.95 0.00 0.00 58.89 59.89 3n59 h TRP 61 Cb -0.01 -0.21 -0.01 0.00 -0.86 0.00 0.00 29.16 28.07 3n59 h TRP 61 CO -0.03 0.76 -0.30 0.82 -1.05 0.00 0.00 178.44 178.64 3n59 h ILE 62 N 0.68 1.27 -0.65 1.49 5.03 -0.92 -2.26 117.51 122.15 3n59 h ILE 62 Ca 0.13 -1.47 0.07 0.00 -0.12 0.00 0.00 64.86 63.47 3n59 h ILE 62 Cb 0.48 1.26 -0.06 0.00 -3.03 0.00 0.00 36.82 35.47 3n59 h ILE 62 CO 0.02 0.50 0.34 0.45 -0.68 0.00 0.00 178.15 178.78 3n59 h HIS 63 N 0.80 0.62 -0.37 1.37 3.86 -0.96 0.68 115.15 121.16 3n59 h HIS 63 Ca 0.08 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 3n59 h HIS 63 Cb 0.89 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 29.16 3n59 h HIS 63 CO 0.06 0.27 0.15 1.96 0.86 0.00 0.00 177.93 181.23 3n59 h GLN 64 N 0.62 0.55 -0.46 2.45 4.20 -1.31 -0.54 115.11 120.63 3n59 h GLN 64 Ca 0.30 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.86 3n59 h GLN 64 Cb 0.24 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 3n59 h GLN 64 CO -0.21 0.53 0.07 0.00 -0.67 0.00 0.00 178.83 178.55 3n59 h ALA 65 N 1.00 1.27 -0.45 3.87 0.00 -1.02 0.08 119.26 124.00 3n59 h ALA 65 Ca 0.12 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3n59 h ALA 65 Cb 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3n59 h ALA 65 CO -0.01 0.50 -0.08 0.00 0.00 0.00 0.00 179.25 179.66 3n59 h ALA 66 N 1.40 0.62 -0.26 0.00 0.00 -0.64 0.12 119.26 120.50 3n59 h ALA 66 Ca 0.15 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 3n59 h ALA 66 Cb 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3n59 h ALA 66 CO 0.00 0.49 -0.26 -0.44 0.00 0.00 0.00 179.25 179.04 3n59 h ASP 67 N 0.69 0.52 -0.03 0.00 3.32 -0.68 -2.92 116.42 117.32 3n59 h ASP 67 Ca 0.12 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3n59 h ASP 67 Cb 0.61 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3n59 h ASP 67 CO 0.04 0.77 0.00 0.00 -1.72 0.00 0.00 179.24 178.33 3n59 n ALA 68 N -2.49 2.55 -3.84 3.45 0.00 -0.02 -4.96 120.51 115.21 3n59 n ALA 68 Ca -0.00 -0.49 -0.26 0.00 0.00 0.00 0.00 53.44 52.69 3n59 n ALA 68 Cb 0.42 -1.11 0.02 0.00 0.00 0.00 0.00 19.45 18.78 3n59 n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3n59 n ALA 69 N 0.37 -1.73 -2.78 0.00 0.00 -0.34 -4.99 120.51 111.04 3n59 n ALA 69 Ca 0.18 -0.05 -0.35 0.00 0.00 0.00 0.00 53.44 53.22 3n59 n ALA 69 Cb 0.39 -2.80 -0.08 0.00 0.00 0.00 0.00 19.45 16.96 3n59 n ALA 69 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3n59 s GLU 70 N -6.34 3.14 0.52 0.00 2.02 0.27 -4.66 118.70 113.65 3n59 s GLU 70 Ca 0.26 -0.37 -0.22 0.00 0.02 0.00 0.00 54.97 54.67 3n59 s GLU 70 Cb -0.13 -2.92 -0.06 0.00 0.10 0.00 0.00 34.13 31.12 3n59 s GLU 70 CO 0.84 0.70 1.32 -2.14 0.02 0.00 0.00 175.26 175.99 3n59 s PRO 71 N -1.27 3.30 -0.11 0.39 0.02 -1.26 -4.62 135.00 131.45 3n59 s PRO 71 Ca 0.18 2.13 0.02 0.00 0.02 0.00 0.00 61.00 63.35 3n59 s PRO 71 Cb -0.12 -2.31 0.01 0.00 0.02 0.00 0.00 34.50 32.11 3n59 s PRO 71 CO 0.08 -1.03 -0.17 0.08 -0.33 0.00 0.00 177.00 175.63 3n59 s VAL 72 N -1.35 1.62 -0.35 3.83 1.01 -0.86 -1.72 120.40 122.58 3n59 s VAL 72 Ca 0.69 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.82 3n59 s VAL 72 Cb -0.38 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 3n59 s VAL 72 CO 0.45 0.46 0.24 -0.63 0.00 0.00 0.00 175.10 175.62 3n59 s ILE 73 N 0.85 5.17 -0.15 2.22 1.01 0.32 -1.19 121.20 129.43 3n59 s ILE 73 Ca -0.09 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.24 3n59 s ILE 73 Cb -0.15 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.63 3n59 s ILE 73 CO 0.00 -0.05 -0.18 -0.22 0.00 0.00 0.00 174.94 174.49 3n59 s LEU 74 N 1.70 2.33 -0.33 2.97 2.96 0.24 -1.02 118.68 127.51 3n59 s LEU 74 Ca 0.06 -0.52 0.04 0.00 -0.22 0.00 0.00 54.13 53.48 3n59 s LEU 74 Cb -0.18 -1.51 0.10 0.00 0.50 0.00 0.00 46.19 45.10 3n59 s LEU 74 CO 0.10 0.09 0.04 0.21 -1.32 0.00 0.00 176.35 175.47 3n59 s ASN 75 N 0.78 4.75 0.00 3.68 3.84 -0.59 -0.50 114.94 126.90 3n59 s ASN 75 Ca -0.07 -2.08 0.29 0.00 0.21 0.00 0.00 52.86 51.21 3n59 s ASN 75 Cb -0.16 -1.63 1.17 0.00 -0.55 0.00 0.00 41.25 40.09 3n59 s ASN 75 CO -0.00 -0.37 1.81 0.00 -2.79 0.00 0.00 177.10 175.76 3n59 n ALA 76 N 4.28 2.60 -0.89 1.71 0.00 -1.26 0.76 120.51 127.71 3n59 n ALA 76 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3n59 n ALA 76 Cb 0.42 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3n59 n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n59 n GLY 77 N 1.15 3.23 0.28 0.00 0.00 -1.26 -2.20 105.19 106.39 3n59 n GLY 77 Ca 0.20 -0.19 0.15 0.00 0.00 0.00 0.00 46.02 46.17 3n59 n GLY 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3n59 h GLY 78 N 0.00 0.00 2.00 -0.02 0.00 -1.96 -2.48 103.07 100.61 3n59 h GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3n59 h GLY 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 3n59 n LEU 79 N -3.66 0.48 -0.33 3.11 4.77 -0.94 -2.57 117.00 117.87 3n59 n LEU 79 Ca -0.02 0.63 0.03 0.00 -0.03 0.00 0.00 56.01 56.61 3n59 n LEU 79 Cb 0.16 -0.57 0.17 0.00 -2.33 0.00 0.00 43.42 40.85 3n59 n LEU 79 CO 0.28 -0.51 1.21 0.74 -1.33 0.00 0.00 177.39 177.78 3n59 h THR 80 N 0.00 1.01 -0.01 -5.08 2.02 -1.57 -1.69 112.91 107.59 3n59 h THR 80 Ca 0.00 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.84 3n59 h THR 80 Cb 0.30 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 3n59 h THR 80 CO 0.00 0.18 -0.55 1.41 0.37 0.00 0.00 175.52 176.94 3n59 n HIS 81 N -4.61 0.00 0.00 3.16 8.25 -1.06 -1.48 115.22 119.47 3n59 n HIS 81 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 3n59 n HIS 81 Cb 0.22 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.29 3n59 n HIS 81 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3n59 n THR 82 N -0.55 0.00 -3.18 1.59 -2.24 -1.17 -4.78 114.28 103.96 3n59 n THR 82 Ca 0.08 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.43 3n59 n THR 82 Cb 0.41 -0.52 -0.07 0.00 -2.10 0.00 0.00 70.33 68.05 3n59 n THR 82 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3n59 s SER 83 N -2.10 6.23 0.16 3.42 0.15 -0.65 -4.88 113.70 116.03 3n59 s SER 83 Ca 0.00 -0.83 -0.03 0.00 0.70 0.00 0.00 55.95 55.79 3n59 s SER 83 Cb 0.00 -2.28 0.01 0.00 -1.71 0.00 0.00 66.02 62.04 3n59 s SER 83 CO 0.00 -0.83 1.40 0.58 1.20 0.00 0.00 173.24 175.59 3n59 h VAL 84 N 5.84 1.37 -0.77 4.45 2.07 -1.96 -3.06 116.25 124.19 3n59 h VAL 84 Ca -0.27 -2.15 0.04 0.00 0.82 0.00 0.00 66.70 65.14 3n59 h VAL 84 Cb 1.10 2.13 -0.05 0.00 -1.52 0.00 0.00 31.29 32.94 3n59 h VAL 84 CO 0.93 0.65 0.48 0.00 0.02 0.00 0.00 177.57 179.65 3n59 h ALA 85 N 0.86 1.03 -0.48 1.67 0.00 -1.98 0.44 119.26 120.79 3n59 h ALA 85 Ca -0.04 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3n59 h ALA 85 Cb 1.35 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3n59 h ALA 85 CO 0.13 0.26 -0.22 1.25 0.00 0.00 0.00 179.25 180.68 3n59 h LEU 86 N 0.92 1.03 -0.08 0.00 5.85 -1.94 -2.11 115.31 118.99 3n59 h LEU 86 Ca 0.32 -0.40 0.02 0.00 0.84 0.00 0.00 57.88 58.66 3n59 h LEU 86 Cb 0.06 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 3n59 h LEU 86 CO -0.13 1.20 -0.04 -0.09 -0.34 0.00 0.00 178.44 179.04 3n59 h ARG 87 N 0.86 -0.03 -0.89 1.25 2.43 -1.31 -0.90 114.38 115.79 3n59 h ARG 87 Ca 0.11 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3n59 h ARG 87 Cb 0.80 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.32 3n59 h ARG 87 CO 0.07 -0.02 0.55 -0.44 -1.51 0.00 0.00 179.97 178.62 3n59 h ASP 88 N -0.04 1.05 -0.50 -3.80 3.32 -0.83 0.86 116.42 116.48 3n59 h ASP 88 Ca 0.05 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 3n59 h ASP 88 Cb 0.10 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3n59 h ASP 88 CO -0.10 0.79 0.08 0.00 -1.72 0.00 0.00 179.24 178.29 3n59 h ALA 89 N 1.39 0.67 -0.13 3.45 0.00 -1.24 -3.09 119.26 120.31 3n59 h ALA 89 Ca 0.32 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3n59 h ALA 89 Cb -0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3n59 h ALA 89 CO -0.06 0.40 -0.25 0.00 0.00 0.00 0.00 179.25 179.34 3n59 n ALA 91 N -2.48 1.29 0.28 0.00 0.00 0.21 -1.99 120.51 117.82 3n59 n ALA 91 Ca -0.01 0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.68 3n59 n ALA 91 Cb 0.36 -1.31 0.14 0.00 0.00 0.00 0.00 19.45 18.64 3n59 n ALA 91 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3n59 h GLU 92 N 0.00 0.00 -6.62 0.00 4.81 -1.51 -3.46 114.58 107.80 3n59 h GLU 92 Ca 0.00 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.70 3n59 h GLU 92 Cb 0.14 0.00 0.04 0.00 0.63 0.00 0.00 28.75 29.56 3n59 h GLU 92 CO 0.00 0.00 0.82 -0.51 -0.73 0.00 0.00 179.01 178.59 3n59 s LEU 93 N -5.45 4.37 0.01 1.64 1.43 -0.84 -4.91 118.68 114.92 3n59 s LEU 93 Ca 0.05 2.55 0.17 0.00 -1.03 0.00 0.00 54.13 55.88 3n59 s LEU 93 Cb 0.09 -3.60 -0.18 0.00 0.03 0.00 0.00 46.19 42.53 3n59 s LEU 93 CO 0.71 -0.76 0.67 -1.54 0.23 0.00 0.00 176.35 175.66 3n59 n SER 94 N 3.68 0.65 -4.91 2.29 3.41 -1.26 -4.92 113.62 112.55 3n59 n SER 94 Ca 0.12 0.29 -0.27 0.00 -0.26 0.00 0.00 58.87 58.75 3n59 n SER 94 Cb 0.40 0.44 0.01 0.00 -0.26 0.00 0.00 64.21 64.79 3n59 n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3n59 s ALA 95 N -2.90 3.41 0.51 7.33 0.00 -1.26 -5.04 121.76 123.81 3n59 s ALA 95 Ca -0.05 -0.59 -0.21 0.00 0.00 0.00 0.00 51.96 51.11 3n59 s ALA 95 Cb 0.09 -2.55 -0.08 0.00 0.00 0.00 0.00 23.12 20.58 3n59 s ALA 95 CO 0.82 -0.43 0.98 -2.30 0.00 0.00 0.00 175.76 174.83 3n59 n PRO 96 N -2.30 1.16 -4.20 0.00 -0.02 -1.26 -4.75 135.00 123.62 3n59 n PRO 96 Ca 0.01 0.43 -0.29 0.00 -2.02 0.00 0.00 63.50 61.63 3n59 n PRO 96 Cb 0.56 -2.10 -0.17 0.00 -0.02 0.00 0.00 33.50 31.77 3n59 n PRO 96 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3n59 s LEU 97 N -1.17 1.61 -0.26 2.45 2.96 -1.26 -2.02 118.68 120.99 3n59 s LEU 97 Ca 0.69 -0.42 -0.04 0.00 -0.22 0.00 0.00 54.13 54.13 3n59 s LEU 97 Cb -0.48 -1.07 0.01 0.00 0.50 0.00 0.00 46.19 45.15 3n59 s LEU 97 CO 0.53 -0.03 0.00 -0.63 -1.32 0.00 0.00 176.35 174.89 3n59 s ILE 98 N 1.28 3.44 0.01 6.68 -1.09 -0.33 -0.28 121.20 130.91 3n59 s ILE 98 Ca -0.01 -0.76 -0.30 0.00 -2.23 0.00 0.00 60.65 57.36 3n59 s ILE 98 Cb -0.14 -2.71 -0.03 0.00 -1.58 0.00 0.00 42.46 38.00 3n59 s ILE 98 CO -0.06 0.21 0.97 -0.70 -1.23 0.00 0.00 174.94 174.13 3n59 s GLU 99 N 1.43 4.57 -0.05 2.79 2.12 -0.30 -0.59 118.70 128.66 3n59 s GLU 99 Ca 0.02 1.41 0.04 0.00 0.36 0.00 0.00 54.97 56.81 3n59 s GLU 99 Cb -0.16 -3.45 -0.00 0.00 0.26 0.00 0.00 34.13 30.77 3n59 s GLU 99 CO -0.01 -0.03 -0.17 0.08 -0.54 0.00 0.00 175.26 174.59 3n59 s VAL 100 N 0.93 1.46 -0.08 3.70 1.01 0.35 -0.21 120.40 127.56 3n59 s VAL 100 Ca 0.51 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.79 3n59 s VAL 100 Cb -0.21 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 34.92 3n59 s VAL 100 CO 0.28 0.42 -0.11 -1.00 0.00 0.00 0.00 175.10 174.69 3n59 s HIS 101 N 0.14 1.45 0.07 5.22 3.76 -0.00 -4.25 115.29 121.67 3n59 s HIS 101 Ca -0.07 -0.59 -0.24 0.00 -0.15 0.00 0.00 55.06 54.01 3n59 s HIS 101 Cb -0.13 -1.10 -0.16 0.00 1.11 0.00 0.00 32.58 32.30 3n59 s HIS 101 CO 0.03 -0.34 1.65 0.82 -0.85 0.00 0.00 174.74 176.05 3n59 h ILE 102 N 6.03 1.00 -2.43 0.60 2.04 -1.86 -2.08 117.51 120.81 3n59 h ILE 102 Ca -0.31 -0.18 -0.46 0.00 1.00 0.00 0.00 64.86 64.91 3n59 h ILE 102 Cb 1.17 1.12 0.01 0.00 -0.74 0.00 0.00 36.82 38.38 3n59 h ILE 102 CO 0.46 0.05 -0.26 -0.94 0.00 0.00 0.00 178.15 177.45 3n59 s SER 103 N -5.21 6.14 -0.55 1.72 1.04 -1.26 -0.82 113.70 114.77 3n59 s SER 103 Ca -0.14 0.19 -0.28 0.00 0.48 0.00 0.00 55.95 56.21 3n59 s SER 103 Cb 0.05 -1.73 0.00 0.00 0.10 0.00 0.00 66.02 64.44 3n59 s SER 103 CO 0.66 -0.35 1.56 0.21 0.98 0.00 0.00 173.24 176.30 3n59 s ASN 104 N -4.08 5.90 0.31 7.02 3.84 -1.26 -2.85 114.94 123.82 3n59 s ASN 104 Ca 0.41 0.40 0.26 0.00 0.21 0.00 0.00 52.86 54.14 3n59 s ASN 104 Cb -0.09 -2.54 1.04 0.00 -0.55 0.00 0.00 41.25 39.11 3n59 s ASN 104 CO 0.34 -1.87 1.76 1.62 -2.79 0.00 0.00 177.10 176.16 3n59 h VAL 105 N 6.54 0.00 -0.01 -5.21 3.04 -1.93 -2.38 116.25 116.31 3n59 h VAL 105 Ca -0.28 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 3n59 h VAL 105 Cb 1.12 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 31.49 3n59 h VAL 105 CO 1.17 0.00 -0.44 1.41 -1.01 0.00 0.00 177.57 178.70 3n59 n HIS 106 N -2.40 0.00 -0.64 3.17 8.25 -1.26 -3.89 115.22 118.45 3n59 n HIS 106 Ca 0.02 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.57 3n59 n HIS 106 Cb 0.26 -0.14 0.37 0.00 1.12 0.00 0.00 29.99 31.60 3n59 n HIS 106 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3n59 n ALA 107 N -0.95 3.29 -3.00 -1.41 0.00 -0.89 -4.93 120.51 112.62 3n59 n ALA 107 Ca 0.09 -1.64 0.00 0.00 0.00 0.00 0.00 53.44 51.89 3n59 n ALA 107 Cb 0.36 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3n59 n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3n59 n ARG 108 N 1.00 2.02 -2.05 0.00 1.74 -1.25 -5.08 116.66 113.04 3n59 n ARG 108 Ca 0.26 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.99 3n59 n ARG 108 Cb 0.96 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.42 3n59 n ARG 108 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3n59 s GLU 109 N 4.66 3.09 0.29 5.56 8.01 -1.26 -4.95 118.70 134.09 3n59 s GLU 109 Ca 0.00 1.59 -0.02 0.00 0.01 0.00 0.00 54.97 56.55 3n59 s GLU 109 Cb 0.00 -1.97 0.42 0.00 -4.31 0.00 0.00 34.13 28.27 3n59 s GLU 109 CO 0.00 -1.06 1.92 0.93 0.01 0.00 0.00 175.26 177.06 3n59 h GLU 110 N 0.76 1.02 0.00 1.61 4.39 -1.96 -2.49 114.58 117.91 3n59 h GLU 110 Ca -0.49 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.10 3n59 h GLU 110 Cb 1.27 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 3n59 h GLU 110 CO 0.55 0.74 -0.01 0.27 -1.16 0.00 0.00 179.01 179.40 3n59 h PHE 111 N 1.03 0.00 0.00 4.33 -5.15 -1.96 -0.85 116.94 114.34 3n59 h PHE 111 Ca 0.26 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.03 3n59 h PHE 111 Cb -0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 3n59 h PHE 111 CO 0.01 0.01 0.00 0.54 -2.00 0.00 0.00 178.31 176.87 3n59 n ARG 112 N -3.15 0.04 -0.06 6.09 1.74 -0.94 -3.57 116.66 116.81 3n59 n ARG 112 Ca -0.02 0.04 0.09 0.00 -0.77 0.00 0.00 57.85 57.19 3n59 n ARG 112 Cb 0.18 -1.55 0.39 0.00 -1.02 0.00 0.00 32.46 30.45 3n59 n ARG 112 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3n59 n ARG 113 N -1.62 1.52 -5.20 5.56 1.74 -0.32 -4.74 116.66 113.60 3n59 n ARG 113 Ca 0.07 -0.78 -0.32 0.00 -0.77 0.00 0.00 57.85 56.05 3n59 n ARG 113 Cb 0.35 -1.34 -0.17 0.00 -1.02 0.00 0.00 32.46 30.29 3n59 n ARG 113 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3n59 s HIS 114 N -1.83 2.56 -0.06 -1.55 2.46 -1.23 -5.07 115.29 110.56 3n59 s HIS 114 Ca 0.29 -0.96 0.04 0.00 0.47 0.00 0.00 55.06 54.90 3n59 s HIS 114 Cb 0.15 -1.70 -0.00 0.00 -0.13 0.00 0.00 32.58 30.90 3n59 s HIS 114 CO 0.23 -0.37 -0.19 0.45 -2.47 0.00 0.00 174.74 172.39 3n59 s SER 115 N 0.25 2.47 0.39 9.88 0.15 -1.26 -4.28 113.70 121.31 3n59 s SER 115 Ca -0.16 -0.42 0.25 0.00 0.70 0.00 0.00 55.95 56.32 3n59 s SER 115 Cb -0.17 -0.85 0.59 0.00 -1.71 0.00 0.00 66.02 63.88 3n59 s SER 115 CO 0.08 0.15 1.70 1.88 1.20 0.00 0.00 173.24 178.25 3n59 h TYR 116 N 6.42 0.00 0.06 3.44 0.05 -1.56 -3.34 116.97 122.03 3n59 h TYR 116 Ca -0.29 0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.20 3n59 h TYR 116 Cb 1.19 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.90 3n59 h TYR 116 CO 0.45 0.00 -1.51 -0.07 -1.05 0.00 0.00 178.16 175.98 3n59 h LEU 117 N 0.00 0.19 -0.38 3.88 3.38 -1.90 -3.40 115.31 117.08 3n59 h LEU 117 Ca 0.00 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.74 3n59 h LEU 117 Cb 0.86 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 3n59 h LEU 117 CO 0.00 1.25 0.07 0.28 0.09 0.00 0.00 178.44 180.13 3n59 h SER 118 N 0.03 0.01 -0.19 -0.43 0.02 -1.92 -2.06 113.55 109.01 3n59 h SER 118 Ca -0.22 0.06 0.06 0.00 -0.84 0.00 0.00 61.79 60.85 3n59 h SER 118 Cb 1.97 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 64.58 3n59 h SER 118 CO 0.13 0.04 0.14 -0.65 -1.14 0.00 0.00 176.83 175.35 3n59 h PRO 119 N 0.20 0.00 -0.01 3.45 0.11 -1.80 -2.41 132.00 131.54 3n59 h PRO 119 Ca 0.18 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3n59 h PRO 119 Cb 0.21 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.32 3n59 h PRO 119 CO -0.24 0.00 -0.52 0.44 -0.21 0.00 0.00 178.00 177.47 3n59 n ILE 120 N -4.48 0.00 -2.44 4.15 -6.64 -1.07 -4.96 119.36 103.92 3n59 n ILE 120 Ca 0.02 -0.24 -0.32 0.00 -1.77 0.00 0.00 62.75 60.44 3n59 n ILE 120 Cb 0.28 1.19 -0.04 0.00 -1.44 0.00 0.00 39.64 39.63 3n59 n ILE 120 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3n59 s ALA 121 N -2.39 3.06 -0.02 -1.28 0.00 -0.80 -4.89 121.76 115.44 3n59 s ALA 121 Ca 0.15 0.21 -0.25 0.00 0.00 0.00 0.00 51.96 52.07 3n59 s ALA 121 Cb 0.16 -3.12 -0.19 0.00 0.00 0.00 0.00 23.12 19.97 3n59 s ALA 121 CO 0.57 -0.20 1.20 1.15 0.00 0.00 0.00 175.76 178.49 3n59 h THR 122 N 1.02 1.15 -4.10 0.00 2.02 -0.94 -3.48 112.91 108.59 3n59 h THR 122 Ca -0.47 -1.01 -0.14 0.00 0.77 0.00 0.00 66.41 65.56 3n59 h THR 122 Cb 1.18 1.79 -0.13 0.00 -1.74 0.00 0.00 68.15 69.25 3n59 h THR 122 CO 0.61 0.24 -0.42 -0.83 0.37 0.00 0.00 175.52 175.49 3n59 s GLY 123 N -3.08 0.76 -0.07 2.16 0.00 -1.13 -5.03 107.32 100.92 3n59 s GLY 123 Ca -0.15 -1.15 -0.00 0.00 0.00 0.00 0.00 44.72 43.42 3n59 s GLY 123 CO 0.61 -1.03 -0.03 0.14 0.00 0.00 0.00 173.10 172.80 3n59 s VAL 124 N -4.02 0.56 -0.19 1.40 1.01 -1.26 -1.15 120.40 116.75 3n59 s VAL 124 Ca 0.23 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.14 3n59 s VAL 124 Cb 0.04 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 35.77 3n59 s VAL 124 CO 0.03 0.27 -0.07 -0.63 0.00 0.00 0.00 175.10 174.70 3n59 s ILE 125 N 1.56 3.30 -0.01 2.22 1.01 0.71 -4.97 121.20 125.01 3n59 s ILE 125 Ca -0.01 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.13 3n59 s ILE 125 Cb -0.13 -2.46 -0.00 0.00 0.01 0.00 0.00 42.46 39.88 3n59 s ILE 125 CO -0.04 0.46 -0.07 -0.69 0.00 0.00 0.00 174.94 174.60 3n59 s VAL 126 N 1.03 0.58 -0.12 2.92 1.01 -1.26 -0.82 120.40 123.74 3n59 s VAL 126 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3n59 s VAL 126 Cb -0.15 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.73 3n59 s VAL 126 CO -0.01 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.88 3n59 n GLY 127 N 3.03 0.50 1.24 4.51 0.00 -0.78 -4.82 105.19 108.87 3n59 n GLY 127 Ca -0.15 -0.38 0.08 0.00 0.00 0.00 0.00 46.02 45.57 3n59 n GLY 127 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3n59 n LEU 128 N -0.13 4.30 0.00 0.99 4.77 -1.21 -4.61 117.00 121.10 3n59 n LEU 128 Ca -0.01 -2.61 0.00 0.00 -0.03 0.00 0.00 56.01 53.36 3n59 n LEU 128 Cb 0.08 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 3n59 n LEU 128 CO 0.02 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 3n59 n GLY 129 N 0.43 0.44 0.26 -0.72 0.00 -0.00 -3.44 105.19 102.17 3n59 n GLY 129 Ca 0.22 -0.82 0.06 0.00 0.00 0.00 0.00 46.02 45.48 3n59 n GLY 129 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3n59 h ILE 130 N 0.00 1.05 0.00 -0.61 5.03 -1.95 -2.45 117.51 118.58 3n59 h ILE 130 Ca 0.00 -0.20 0.00 0.00 -0.12 0.00 0.00 64.86 64.54 3n59 h ILE 130 Cb 0.00 0.98 0.00 0.00 -3.03 0.00 0.00 36.82 34.77 3n59 h ILE 130 CO 0.00 0.07 0.00 -0.61 -0.68 0.00 0.00 178.15 176.93 3n59 h GLN 131 N 0.12 0.00 -0.80 2.37 4.15 -1.97 -2.68 115.11 116.30 3n59 h GLN 131 Ca 0.03 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.53 3n59 h GLN 131 Cb 0.07 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.71 3n59 h GLN 131 CO -0.00 0.00 0.52 0.78 -1.93 0.00 0.00 178.83 178.20 3n59 h GLY 132 N 1.56 1.09 0.95 2.39 0.00 -1.49 0.19 103.07 107.75 3n59 h GLY 132 Ca 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 3n59 h GLY 132 CO 0.00 0.22 0.13 -0.97 0.00 0.00 0.00 176.54 175.92 3n59 h TYR 133 N 0.81 0.69 -0.17 5.60 -1.99 -1.69 -2.01 116.97 118.22 3n59 h TYR 133 Ca 0.36 -0.07 -0.14 0.00 2.00 0.00 0.00 58.73 60.87 3n59 h TYR 133 Cb 0.32 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 38.84 3n59 h TYR 133 CO -0.00 0.63 -0.49 -0.07 -0.00 0.00 0.00 178.16 178.24 3n59 h LEU 134 N 0.55 0.49 -0.71 3.88 3.38 -1.49 -1.61 115.31 119.81 3n59 h LEU 134 Ca 0.14 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 3n59 h LEU 134 Cb 0.27 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3n59 h LEU 134 CO -0.00 0.90 -0.42 -0.07 0.09 0.00 0.00 178.44 178.93 3n59 h LEU 135 N 0.36 0.52 -0.95 1.67 3.38 -0.98 -2.51 115.31 116.80 3n59 h LEU 135 Ca 0.02 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 3n59 h LEU 135 Cb 0.99 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 3n59 h LEU 135 CO 0.09 0.88 -0.06 0.00 0.09 0.00 0.00 178.44 179.44 3n59 h ALA 136 N 1.14 1.12 -0.58 1.53 0.00 -1.08 -2.68 119.26 118.71 3n59 h ALA 136 Ca 0.03 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 3n59 h ALA 136 Cb 0.91 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3n59 h ALA 136 CO 0.08 0.55 0.13 -0.07 0.00 0.00 0.00 179.25 179.94 3n59 h LEU 137 N 0.65 0.85 -0.60 0.00 3.38 -1.10 -2.96 115.31 115.53 3n59 h LEU 137 Ca 0.12 -0.16 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 3n59 h LEU 137 Cb 0.49 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3n59 h LEU 137 CO 0.03 0.83 -0.49 -0.09 0.09 0.00 0.00 178.44 178.81 3n59 h ARG 138 N 0.86 0.53 -0.47 1.13 2.43 -1.21 -1.47 114.38 116.19 3n59 h ARG 138 Ca 0.19 -0.31 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 3n59 h ARG 138 Cb 0.33 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 3n59 h ARG 138 CO 0.00 0.90 0.29 -0.92 -1.51 0.00 0.00 179.97 178.73 3n59 h TYR 139 N 0.42 0.61 0.00 2.20 3.20 -1.42 -2.71 116.97 119.27 3n59 h TYR 139 Ca 0.02 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.81 3n59 h TYR 139 Cb 1.01 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 3n59 h TYR 139 CO 0.04 0.42 -0.37 -0.07 -1.64 0.00 0.00 178.16 176.54 3n59 h LEU 140 N 0.63 0.00 -1.33 2.82 3.38 -1.36 -2.79 115.31 116.66 3n59 h LEU 140 Ca 0.17 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 3n59 h LEU 140 Cb -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3n59 h LEU 140 CO -0.03 0.37 -0.33 0.00 0.09 0.00 0.00 178.44 178.53 3n59 h ALA 141 N 1.63 1.45 -1.19 1.53 0.00 -0.97 -3.23 119.26 118.48 3n59 h ALA 141 Ca -0.00 -0.30 -0.65 0.00 0.00 0.00 0.00 54.91 53.96 3n59 h ALA 141 Cb 0.74 -0.05 -0.36 0.00 0.00 0.00 0.00 17.79 18.11 3n59 h ALA 141 CO 0.05 0.42 -0.04 0.39 0.00 0.00 0.00 179.25 180.07 3n59 n GLU 142 N -4.14 3.18 0.00 0.00 1.02 -1.05 -5.10 120.64 114.55 3n59 n GLU 142 Ca -0.02 -4.03 0.00 0.00 -0.02 0.00 0.00 57.16 53.09 3n59 n GLU 142 Cb 0.37 -2.26 0.00 0.00 -0.02 0.00 0.00 31.44 29.53 3n59 n GLU 142 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03