#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n59 s LEU 3 N 0.00 5.55 0.13 4.31 1.43 -1.26 -4.96 118.68 123.88 3n59 s LEU 3 Ca 0.00 -1.78 -0.30 0.00 -1.03 0.00 0.00 54.13 51.01 3n59 s LEU 3 Cb 0.00 -2.31 -0.07 0.00 0.03 0.00 0.00 46.19 43.84 3n59 s LEU 3 CO 0.00 -1.01 1.26 -0.63 0.23 0.00 0.00 176.35 176.20 3n59 s ILE 4 N 2.26 3.59 -0.13 -0.59 1.09 -1.26 -1.44 121.20 124.71 3n59 s ILE 4 Ca 0.17 1.22 0.03 0.00 -1.10 0.00 0.00 60.65 60.97 3n59 s ILE 4 Cb -0.17 -3.78 0.01 0.00 -1.06 0.00 0.00 42.46 37.46 3n59 s ILE 4 CO 0.00 0.14 -0.21 -0.69 -0.10 0.00 0.00 174.94 174.08 3n59 s VAL 5 N 0.59 1.96 -0.27 2.92 1.01 0.70 -4.17 120.40 123.15 3n59 s VAL 5 Ca 0.58 -0.92 -0.16 0.00 0.00 0.00 0.00 61.98 61.47 3n59 s VAL 5 Cb -0.33 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 3n59 s VAL 5 CO 0.33 0.53 0.44 0.20 0.00 0.00 0.00 175.10 176.60 3n59 s ASN 6 N 0.79 6.33 -0.32 3.32 0.01 -0.60 -0.79 114.94 123.67 3n59 s ASN 6 Ca -0.08 0.35 -0.08 0.00 -0.71 0.00 0.00 52.86 52.34 3n59 s ASN 6 Cb -0.16 -2.24 0.01 0.00 0.41 0.00 0.00 41.25 39.27 3n59 s ASN 6 CO -0.01 -0.25 0.12 -0.69 -1.51 0.00 0.00 177.10 174.77 3n59 s VAL 7 N 2.19 4.18 -0.19 1.60 1.01 -0.41 0.08 120.40 128.86 3n59 s VAL 7 Ca 0.18 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 3n59 s VAL 7 Cb -0.16 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.01 3n59 s VAL 7 CO 0.10 -0.03 -0.15 -0.63 0.00 0.00 0.00 175.10 174.39 3n59 s ILE 8 N 1.52 2.49 -0.13 2.22 1.01 0.28 -0.78 121.20 127.82 3n59 s ILE 8 Ca 0.02 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 59.85 3n59 s ILE 8 Cb -0.18 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 3n59 s ILE 8 CO 0.04 0.50 -0.03 0.20 0.00 0.00 0.00 174.94 175.65 3n59 s ASN 9 N 1.31 4.89 0.13 3.58 0.01 0.22 -1.30 114.94 123.79 3n59 s ASN 9 Ca 0.04 -0.06 0.00 0.00 -0.71 0.00 0.00 52.86 52.14 3n59 s ASN 9 Cb -0.14 -1.65 0.00 0.00 0.41 0.00 0.00 41.25 39.87 3n59 s ASN 9 CO -0.09 0.23 0.00 0.61 -1.51 0.00 0.00 177.10 176.34 3n59 n GLY 10 N 3.10 0.44 3.64 0.66 0.00 0.18 -2.02 105.19 111.20 3n59 n GLY 10 Ca -0.18 -1.84 -0.44 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.25 1.71 -0.53 1.61 -0.02 -1.11 -2.77 135.00 133.64 3n59 n PRO 11 Ca 0.00 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3n59 n PRO 11 Cb 0.00 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 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 1.09 0.00 0.05 2.55 3.02 -1.26 -4.58 115.26 116.13 3n59 n ASN 12 Ca 0.08 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.76 3n59 n ASN 12 Cb 0.33 -0.56 0.44 0.00 -0.61 0.00 0.00 39.78 39.39 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 0.49 0.20 3.41 4.77 -1.12 -2.37 117.00 122.38 3n59 n LEU 13 Ca 0.00 0.46 0.14 0.00 -0.03 0.00 0.00 56.01 56.58 3n59 n LEU 13 Cb 0.00 -0.36 0.46 0.00 -2.33 0.00 0.00 43.42 41.19 3n59 n LEU 13 CO 0.00 -0.08 0.90 1.23 -1.33 0.00 0.00 177.39 178.11 3n59 h GLY 14 N 4.73 0.00 -0.84 -0.72 0.00 -1.89 -3.13 103.07 101.22 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 -2.73 1.50 -1.80 4.80 5.12 -1.00 -4.58 116.66 117.97 3n59 n ARG 15 Ca 0.03 -0.62 -0.42 0.00 -1.93 0.00 0.00 57.85 54.91 3n59 n ARG 15 Cb 0.37 -1.26 -0.03 0.00 -1.16 0.00 0.00 32.46 30.38 3n59 n ARG 15 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3n59 s LEU 16 N -0.91 4.38 0.00 0.55 2.96 -1.19 -2.35 118.68 122.13 3n59 s LEU 16 Ca 0.11 2.72 0.00 0.00 -0.22 0.00 0.00 54.13 56.75 3n59 s LEU 16 Cb 0.07 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.17 3n59 s LEU 16 CO 0.07 -0.93 0.00 0.61 -1.32 0.00 0.00 176.35 174.77 3n59 n GLY 17 N 3.99 0.54 2.52 7.98 0.00 -1.15 -3.80 105.19 115.28 3n59 n GLY 17 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 3n59 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n59 n ARG 18 N -1.47 2.38 -0.07 1.61 3.00 -0.99 -4.89 116.66 116.23 3n59 n ARG 18 Ca 0.00 -3.81 -0.11 0.00 -0.01 0.00 0.00 57.85 53.91 3n59 n ARG 18 Cb 0.00 -1.81 -0.09 0.00 0.00 0.00 0.00 32.46 30.57 3n59 n ARG 18 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 3n59 h GLY 26 N 2.61 0.00 -5.05 -0.13 0.00 -2.01 -3.49 103.07 95.01 3n59 h GLY 26 Ca 0.09 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.87 3n59 h GLY 26 CO 0.55 0.00 0.96 -1.59 0.00 0.00 0.00 176.54 176.46 3n59 s THR 27 N -2.08 3.59 0.76 4.70 2.01 -1.26 -5.02 115.64 118.33 3n59 s THR 27 Ca -0.16 0.88 -0.11 0.00 0.31 0.00 0.00 61.69 62.61 3n59 s THR 27 Cb -0.00 -3.57 0.05 0.00 0.01 0.00 0.00 72.50 68.99 3n59 s THR 27 CO 0.47 -0.04 1.12 0.42 -0.69 0.00 0.00 174.62 175.91 3n59 s THR 28 N 3.14 2.57 0.24 -0.82 -4.23 -1.26 -2.92 115.64 112.36 3n59 s THR 28 Ca 0.68 0.12 -0.03 0.00 -1.18 0.00 0.00 61.69 61.28 3n59 s THR 28 Cb -0.33 -3.17 0.08 0.00 1.34 0.00 0.00 72.50 70.42 3n59 s THR 28 CO 0.28 -0.22 1.70 -0.74 -0.54 0.00 0.00 174.62 175.09 3n59 h HIS 29 N -0.84 0.87 -0.94 3.99 6.17 -1.81 -1.45 115.15 121.14 3n59 h HIS 29 Ca -0.45 -0.16 0.01 0.00 0.71 0.00 0.00 60.37 60.48 3n59 h HIS 29 Cb 1.30 -0.22 -0.05 0.00 2.52 0.00 0.00 27.41 30.96 3n59 h HIS 29 CO 0.38 0.85 0.62 -0.44 0.71 0.00 0.00 177.93 180.05 3n59 h ASP 30 N 0.72 1.07 0.15 3.26 3.32 -1.93 -0.80 116.42 122.20 3n59 h ASP 30 Ca 0.12 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 3n59 h ASP 30 Cb 0.58 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 3n59 h ASP 30 CO 0.04 0.77 -0.36 -0.33 -1.72 0.00 0.00 179.24 177.63 3n59 h GLU 31 N 1.26 0.30 -0.50 3.56 5.08 -1.87 -2.82 114.58 119.59 3n59 h GLU 31 Ca 0.35 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.48 3n59 h GLU 31 Cb -0.12 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3n59 h GLU 31 CO -0.08 0.63 -0.05 1.25 -1.00 0.00 0.00 179.01 179.76 3n59 h LEU 32 N 0.26 0.91 -0.12 1.33 5.85 -0.54 -1.69 115.31 121.31 3n59 h LEU 32 Ca 0.03 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.45 3n59 h LEU 32 Cb 0.76 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 3n59 h LEU 32 CO 0.06 1.03 -0.06 0.58 -0.34 0.00 0.00 178.44 179.71 3n59 h VAL 33 N 0.78 0.81 -0.68 1.05 2.07 -1.05 -0.63 116.25 118.60 3n59 h VAL 33 Ca 0.14 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 3n59 h VAL 33 Cb 0.59 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3n59 h VAL 33 CO 0.04 0.00 0.40 0.00 0.02 0.00 0.00 177.57 178.03 3n59 h ALA 34 N 1.06 0.86 -0.44 1.67 0.00 -1.45 -0.19 119.26 120.77 3n59 h ALA 34 Ca 0.07 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3n59 h ALA 34 Cb 0.15 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3n59 h ALA 34 CO -0.15 0.35 0.03 -0.07 0.00 0.00 0.00 179.25 179.41 3n59 h LEU 35 N 0.92 0.74 -0.26 0.00 3.38 -1.07 -1.40 115.31 117.62 3n59 h LEU 35 Ca 0.24 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3n59 h LEU 35 Cb -0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3n59 h LEU 35 CO -0.04 0.85 0.04 0.40 0.09 0.00 0.00 178.44 179.77 3n59 h ILE 36 N 0.61 1.23 -0.80 1.22 2.04 -1.01 -2.57 117.51 118.24 3n59 h ILE 36 Ca 0.13 -0.79 0.04 0.00 1.00 0.00 0.00 64.86 65.24 3n59 h ILE 36 Cb 0.45 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.72 3n59 h ILE 36 CO 0.02 0.25 0.50 -0.33 0.00 0.00 0.00 178.15 178.59 3n59 h GLU 37 N 0.25 0.94 0.18 2.37 5.08 -0.93 -1.13 114.58 121.34 3n59 h GLU 37 Ca 0.08 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3n59 h GLU 37 Cb 0.34 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3n59 h GLU 37 CO 0.01 0.62 -0.08 -0.09 -1.00 0.00 0.00 179.01 178.46 3n59 h ARG 38 N 0.97 -0.23 -0.96 2.33 2.43 -1.24 -2.13 114.38 115.55 3n59 h ARG 38 Ca 0.33 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 3n59 h ARG 38 Cb 0.05 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.61 3n59 h ARG 38 CO -0.13 0.02 0.61 1.49 -1.51 0.00 0.00 179.97 180.45 3n59 h GLU 39 N -0.45 1.28 -0.00 0.20 4.57 -1.31 0.07 114.58 118.95 3n59 h GLU 39 Ca -0.02 -0.10 -0.00 0.00 -1.18 0.00 0.00 59.36 58.06 3n59 h GLU 39 Cb 0.35 -0.28 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 3n59 h GLU 39 CO 0.04 0.87 0.00 0.00 -1.18 0.00 0.00 179.01 178.74 3n59 h ALA 40 N 1.34 0.00 -0.61 2.92 0.00 -1.21 -2.18 119.26 119.52 3n59 h ALA 40 Ca 0.35 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.23 3n59 h ALA 40 Cb -0.11 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3n59 h ALA 40 CO -0.07 -0.45 0.40 0.00 0.00 0.00 0.00 179.25 179.13 3n59 h ALA 41 N 0.91 1.63 0.00 0.00 0.00 -1.01 0.30 119.26 121.09 3n59 h ALA 41 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3n59 h ALA 41 Cb 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3n59 h ALA 41 CO -0.00 0.32 -0.17 1.49 0.00 0.00 0.00 179.25 180.89 3n59 h GLU 42 N 0.77 0.00 -0.16 0.00 4.57 -0.74 -2.76 114.58 116.26 3n59 h GLU 42 Ca 0.24 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 3n59 h GLU 42 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3n59 h GLU 42 CO -0.06 0.17 0.00 1.28 -1.18 0.00 0.00 179.01 179.22 3n59 n LEU 43 N -3.88 3.04 0.00 1.64 4.77 -0.16 -4.95 117.00 117.46 3n59 n LEU 43 Ca -0.02 -1.14 0.00 0.00 -0.03 0.00 0.00 56.01 54.82 3n59 n LEU 43 Cb 0.27 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3n59 n LEU 43 CO 0.33 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 3n59 n GLY 44 N 1.39 0.52 3.58 -0.72 0.00 -0.73 -4.94 105.19 104.29 3n59 n GLY 44 Ca 0.16 -0.85 -0.26 0.00 0.00 0.00 0.00 46.02 45.07 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 2.83 -0.20 0.99 1.43 0.88 -4.53 118.68 120.07 3n59 s LEU 45 Ca 0.00 -1.15 0.01 0.00 -1.03 0.00 0.00 54.13 51.97 3n59 s LEU 45 Cb 0.00 -1.11 0.04 0.00 0.03 0.00 0.00 46.19 45.15 3n59 s LEU 45 CO 0.00 -0.24 -0.15 -0.75 0.23 0.00 0.00 176.35 175.45 3n59 s LYS 46 N -3.65 2.48 -0.11 1.70 2.20 -0.52 -2.45 119.74 119.38 3n59 s LYS 46 Ca 0.34 -0.92 -0.15 0.00 -0.36 0.00 0.00 55.97 54.88 3n59 s LYS 46 Cb 0.02 -2.54 -0.05 0.00 -1.51 0.00 0.00 37.83 33.75 3n59 s LYS 46 CO 0.18 -0.35 0.37 0.00 -0.36 0.00 0.00 175.35 175.19 3n59 s ALA 47 N 1.30 3.59 -0.41 3.13 0.00 -1.26 -0.21 121.76 127.90 3n59 s ALA 47 Ca 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 51.96 51.61 3n59 s ALA 47 Cb -0.15 -2.45 0.11 0.00 0.00 0.00 0.00 23.12 20.62 3n59 s ALA 47 CO -0.10 0.18 0.22 0.08 0.00 0.00 0.00 175.76 176.14 3n59 s VAL 48 N 0.07 3.42 -0.27 0.00 1.01 0.03 -4.85 120.40 119.80 3n59 s VAL 48 Ca 0.21 -1.99 -0.13 0.00 0.00 0.00 0.00 61.98 60.07 3n59 s VAL 48 Cb -0.15 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 3n59 s VAL 48 CO 0.08 -0.68 0.30 -0.69 0.00 0.00 0.00 175.10 174.11 3n59 s VAL 49 N 1.18 5.23 0.01 2.92 1.01 -1.26 -1.29 120.40 128.19 3n59 s VAL 49 Ca 0.07 0.43 0.02 0.00 0.00 0.00 0.00 61.98 62.50 3n59 s VAL 49 Cb -0.23 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 3n59 s VAL 49 CO -0.04 0.20 -0.06 -0.13 0.00 0.00 0.00 175.10 175.08 3n59 s ARG 50 N 1.87 0.44 -0.01 2.72 0.52 0.04 -5.00 118.95 119.54 3n59 s ARG 50 Ca 0.12 -0.36 0.03 0.00 -0.52 0.00 0.00 55.73 55.00 3n59 s ARG 50 Cb -0.16 -0.35 -0.01 0.00 0.52 0.00 0.00 34.95 34.96 3n59 s ARG 50 CO 0.10 0.09 -0.10 -1.14 0.02 0.00 0.00 175.30 174.26 3n59 s GLN 51 N -0.59 0.83 -0.07 3.54 -0.44 -1.26 -0.61 119.66 121.07 3n59 s GLN 51 Ca -0.02 -0.35 -0.16 0.00 -2.50 0.00 0.00 55.36 52.33 3n59 s GLN 51 Cb -0.05 -0.80 0.03 0.00 -1.64 0.00 0.00 33.01 30.56 3n59 s GLN 51 CO -0.00 0.20 0.37 0.45 0.50 0.00 0.00 175.29 176.82 3n59 s SER 52 N -0.19 -0.32 0.14 6.67 0.15 -0.85 -4.99 113.70 114.31 3n59 s SER 52 Ca 0.03 0.43 0.25 0.00 0.70 0.00 0.00 55.95 57.36 3n59 s SER 52 Cb -0.04 0.53 0.61 0.00 -1.71 0.00 0.00 66.02 65.41 3n59 s SER 52 CO -0.00 -0.33 1.56 0.47 1.20 0.00 0.00 173.24 176.13 3n59 n ASP 53 N 1.90 0.67 -4.70 5.45 8.00 -1.26 -2.76 116.55 123.85 3n59 n ASP 53 Ca -0.18 0.30 -0.39 0.00 0.71 0.00 0.00 54.79 55.23 3n59 n ASP 53 Cb 0.57 -0.26 -0.06 0.00 -0.02 0.00 0.00 41.12 41.35 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 -4.15 6.76 0.18 -2.24 0.15 -1.26 -4.59 113.70 108.55 3n59 s SER 54 Ca 0.09 0.92 -0.10 0.00 0.70 0.00 0.00 55.95 57.56 3n59 s SER 54 Cb 0.14 -2.34 0.07 0.00 -1.71 0.00 0.00 66.02 62.18 3n59 s SER 54 CO 0.66 -0.12 1.66 -0.08 1.20 0.00 0.00 173.24 176.56 3n59 h GLU 55 N 6.99 1.03 -1.01 5.44 4.81 -2.00 -2.50 114.58 127.34 3n59 h GLU 55 Ca -0.38 -0.29 0.02 0.00 -0.13 0.00 0.00 59.36 58.58 3n59 h GLU 55 Cb 1.17 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.39 3n59 h GLU 55 CO 0.76 0.97 0.67 0.00 -0.73 0.00 0.00 179.01 180.68 3n59 h ALA 56 N 1.02 1.30 -0.38 2.92 0.00 -1.99 -1.05 119.26 121.07 3n59 h ALA 56 Ca 0.18 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3n59 h ALA 56 Cb 0.45 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3n59 h ALA 56 CO 0.02 0.64 -0.04 0.37 0.00 0.00 0.00 179.25 180.24 3n59 h GLN 57 N 1.34 0.70 -0.70 0.00 5.75 -1.94 -1.83 115.11 118.43 3n59 h GLN 57 Ca 0.38 -0.25 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 3n59 h GLN 57 Cb -0.12 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.34 3n59 h GLN 57 CO -0.09 0.83 0.44 -0.07 -2.65 0.00 0.00 178.83 177.28 3n59 h LEU 58 N 0.52 0.83 -0.45 -2.39 3.38 -1.13 -2.37 115.31 113.69 3n59 h LEU 58 Ca 0.10 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3n59 h LEU 58 Cb 0.53 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3n59 h LEU 58 CO 0.03 0.63 0.29 -0.07 0.09 0.00 0.00 178.44 179.41 3n59 h LEU 59 N 0.95 0.50 -0.54 1.67 3.38 -1.09 -1.69 115.31 118.49 3n59 h LEU 59 Ca 0.25 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.29 3n59 h LEU 59 Cb -0.06 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.50 3n59 h LEU 59 CO -0.05 0.36 0.18 -0.78 0.09 0.00 0.00 178.44 178.24 3n59 h ASP 60 N 0.60 0.16 -0.31 -0.43 3.58 -1.05 -0.33 116.42 118.63 3n59 h ASP 60 Ca 0.17 0.07 -0.07 0.00 0.42 0.00 0.00 57.03 57.62 3n59 h ASP 60 Cb -0.06 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 3n59 h ASP 60 CO -0.04 0.11 -0.02 -0.50 -2.88 0.00 0.00 179.24 175.90 3n59 h TRP 61 N 0.35 0.72 -0.56 0.28 6.55 -1.13 -0.80 115.95 121.36 3n59 h TRP 61 Ca 0.27 -0.10 -0.09 0.00 0.95 0.00 0.00 58.89 59.92 3n59 h TRP 61 Cb 0.32 -0.20 -0.02 0.00 -0.86 0.00 0.00 29.16 28.40 3n59 h TRP 61 CO -0.18 0.69 -0.01 0.82 -1.05 0.00 0.00 178.44 178.71 3n59 h ILE 62 N 0.64 1.26 -0.45 1.49 1.08 -0.54 -1.91 117.51 119.07 3n59 h ILE 62 Ca 0.13 -1.12 -0.03 0.00 -0.39 0.00 0.00 64.86 63.44 3n59 h ILE 62 Cb 0.43 0.84 -0.02 0.00 -3.07 0.00 0.00 36.82 35.00 3n59 h ILE 62 CO 0.02 0.40 0.17 0.45 -0.69 0.00 0.00 178.15 178.50 3n59 h HIS 63 N 0.89 0.71 -0.34 1.37 3.86 -0.74 -1.47 115.15 119.43 3n59 h HIS 63 Ca 0.16 -0.06 0.07 0.00 -1.16 0.00 0.00 60.37 59.38 3n59 h HIS 63 Cb 0.54 -0.21 -0.07 0.00 1.06 0.00 0.00 27.41 28.73 3n59 h HIS 63 CO 0.03 0.62 -0.11 0.37 0.86 0.00 0.00 177.93 179.70 3n59 h GLN 64 N 0.59 -0.04 -0.11 2.45 5.75 -0.96 -2.03 115.11 120.76 3n59 h GLN 64 Ca 0.15 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.56 3n59 h GLN 64 Cb 0.22 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 3n59 h GLN 64 CO -0.01 -0.02 -0.33 0.00 -2.65 0.00 0.00 178.83 175.81 3n59 h ALA 65 N 1.28 1.23 -0.29 3.38 0.00 -1.22 -2.67 119.26 120.98 3n59 h ALA 65 Ca 0.17 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3n59 h ALA 65 Cb 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3n59 h ALA 65 CO -0.37 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.40 3n59 h ALA 66 N 1.47 0.40 -0.45 0.00 0.00 -0.73 -0.51 119.26 119.43 3n59 h ALA 66 Ca 0.02 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 3n59 h ALA 66 Cb 0.69 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3n59 h ALA 66 CO 0.05 0.14 -0.08 -0.44 0.00 0.00 0.00 179.25 178.92 3n59 h ASP 67 N 0.31 0.77 0.67 0.00 3.32 -1.29 -2.84 116.42 117.35 3n59 h ASP 67 Ca 0.08 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3n59 h ASP 67 Cb 0.43 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3n59 h ASP 67 CO 0.01 0.89 -0.19 0.00 -1.72 0.00 0.00 179.24 178.23 3n59 n ALA 68 N -2.48 2.85 -3.65 3.45 0.00 -1.02 -4.95 120.51 114.72 3n59 n ALA 68 Ca 0.02 -0.23 -0.22 0.00 0.00 0.00 0.00 53.44 53.01 3n59 n ALA 68 Cb 0.35 -1.32 0.05 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.36 -1.83 -2.69 0.00 0.00 -0.46 -5.01 120.51 109.16 3n59 n ALA 69 Ca 0.08 -0.02 -0.35 0.00 0.00 0.00 0.00 53.44 53.16 3n59 n ALA 69 Cb 0.32 -2.86 -0.09 0.00 0.00 0.00 0.00 19.45 16.82 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 -5.94 2.97 0.72 0.00 2.02 -0.33 -4.66 118.70 113.48 3n59 s GLU 70 Ca 0.17 -0.42 -0.16 0.00 0.02 0.00 0.00 54.97 54.57 3n59 s GLU 70 Cb -0.08 -2.79 0.03 0.00 0.10 0.00 0.00 34.13 31.39 3n59 s GLU 70 CO 0.78 0.70 1.25 -2.14 0.02 0.00 0.00 175.26 175.87 3n59 s PRO 71 N -0.98 2.16 -0.06 0.39 0.02 -1.26 -4.72 135.00 130.55 3n59 s PRO 71 Ca 0.14 1.91 0.02 0.00 0.02 0.00 0.00 61.00 63.09 3n59 s PRO 71 Cb -0.11 -1.82 0.02 0.00 0.02 0.00 0.00 34.50 32.60 3n59 s PRO 71 CO 0.03 -1.85 -0.10 0.08 -0.33 0.00 0.00 177.00 174.83 3n59 s VAL 72 N -1.75 0.96 -0.32 3.83 1.01 -0.82 -1.56 120.40 121.74 3n59 s VAL 72 Ca 0.78 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 62.29 3n59 s VAL 72 Cb -0.33 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.15 3n59 s VAL 72 CO 0.44 0.32 0.16 -0.63 0.00 0.00 0.00 175.10 175.39 3n59 s ILE 73 N 0.76 4.57 -0.18 2.22 1.01 0.11 -0.77 121.20 128.93 3n59 s ILE 73 Ca -0.13 -0.52 -0.01 0.00 0.00 0.00 0.00 60.65 59.99 3n59 s ILE 73 Cb -0.15 -3.38 -0.00 0.00 0.01 0.00 0.00 42.46 38.94 3n59 s ILE 73 CO 0.02 0.01 -0.13 -0.22 0.00 0.00 0.00 174.94 174.62 3n59 s LEU 74 N 1.60 2.55 -0.39 2.97 2.96 0.59 -0.55 118.68 128.41 3n59 s LEU 74 Ca 0.04 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 3n59 s LEU 74 Cb -0.17 -1.60 0.11 0.00 0.50 0.00 0.00 46.19 45.02 3n59 s LEU 74 CO 0.06 0.04 0.13 0.21 -1.32 0.00 0.00 176.35 175.47 3n59 s ASN 75 N 1.08 4.89 0.00 3.68 3.84 -0.42 -0.15 114.94 127.85 3n59 s ASN 75 Ca -0.00 -2.23 0.21 0.00 0.21 0.00 0.00 52.86 51.05 3n59 s ASN 75 Cb -0.15 -1.70 0.79 0.00 -0.55 0.00 0.00 41.25 39.65 3n59 s ASN 75 CO -0.03 -0.41 1.57 0.00 -2.79 0.00 0.00 177.10 175.43 3n59 n ALA 76 N 4.21 2.53 -0.88 1.71 0.00 -1.26 0.51 120.51 127.33 3n59 n ALA 76 Ca 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.98 3n59 n ALA 76 Cb 0.41 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 1.11 3.27 0.02 0.00 0.00 -1.26 -2.16 105.19 106.16 3n59 n GLY 77 Ca 0.16 -0.18 0.09 0.00 0.00 0.00 0.00 46.02 46.09 3n59 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n59 n GLY 78 N 0.00 -1.11 0.14 -0.02 0.00 -1.26 -2.56 105.19 100.38 3n59 n GLY 78 Ca 0.00 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.11 3n59 n GLY 78 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3n59 h LEU 79 N 0.00 0.00 -1.03 0.99 3.38 -1.82 -3.18 115.31 113.65 3n59 h LEU 79 Ca 0.00 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.12 3n59 h LEU 79 Cb 0.30 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.96 3n59 h LEU 79 CO 0.00 0.00 0.62 0.74 0.09 0.00 0.00 178.44 179.89 3n59 h THR 80 N 0.00 0.82 0.00 0.22 2.02 -1.62 -0.34 112.91 114.00 3n59 h THR 80 Ca 0.00 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.88 3n59 h THR 80 Cb 0.64 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 3n59 h THR 80 CO 0.00 0.16 -0.93 1.41 0.37 0.00 0.00 175.52 176.53 3n59 n HIS 81 N -4.68 0.01 0.00 3.16 8.25 -1.20 -1.15 115.22 119.62 3n59 n HIS 81 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 3n59 n HIS 81 Cb 0.46 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.49 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 -1.55 0.00 -3.29 1.59 -2.24 -1.06 -4.78 114.28 102.96 3n59 n THR 82 Ca 0.04 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.40 3n59 n THR 82 Cb 0.34 -0.39 -0.08 0.00 -2.10 0.00 0.00 70.33 68.10 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 -2.24 6.24 0.07 3.42 0.15 -0.16 -4.88 113.70 116.28 3n59 s SER 83 Ca 0.00 -0.40 -0.05 0.00 0.70 0.00 0.00 55.95 56.21 3n59 s SER 83 Cb 0.00 -2.24 -0.29 0.00 -1.71 0.00 0.00 66.02 61.78 3n59 s SER 83 CO 0.00 -0.54 1.11 0.58 1.20 0.00 0.00 173.24 175.59 3n59 h VAL 84 N 5.69 1.46 -0.65 4.45 2.07 -1.95 -3.23 116.25 124.08 3n59 h VAL 84 Ca -0.27 -3.03 0.06 0.00 0.82 0.00 0.00 66.70 64.28 3n59 h VAL 84 Cb 1.12 2.93 -0.05 0.00 -1.52 0.00 0.00 31.29 33.77 3n59 h VAL 84 CO 0.78 0.88 0.36 0.00 0.02 0.00 0.00 177.57 179.62 3n59 h ALA 85 N 0.56 0.87 -0.65 1.67 0.00 -1.98 -0.16 119.26 119.56 3n59 h ALA 85 Ca -0.15 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3n59 h ALA 85 Cb 1.98 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.63 3n59 h ALA 85 CO 0.20 0.03 0.09 1.25 0.00 0.00 0.00 179.25 180.82 3n59 h LEU 86 N 0.66 1.04 -0.57 0.00 5.85 -1.95 -2.34 115.31 118.01 3n59 h LEU 86 Ca 0.29 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.76 3n59 h LEU 86 Cb 0.19 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3n59 h LEU 86 CO -0.18 1.05 0.37 -0.09 -0.34 0.00 0.00 178.44 179.25 3n59 h ARG 87 N 1.01 0.74 -0.61 1.25 2.43 -1.38 -1.87 114.38 115.96 3n59 h ARG 87 Ca 0.20 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.27 3n59 h ARG 87 Cb 0.46 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 3n59 h ARG 87 CO 0.02 0.49 0.17 -0.44 -1.51 0.00 0.00 179.97 178.70 3n59 h ASP 88 N 0.76 0.86 -0.35 -3.80 3.32 -0.87 -1.50 116.42 114.84 3n59 h ASP 88 Ca 0.21 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 3n59 h ASP 88 Cb -0.08 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 3n59 h ASP 88 CO -0.05 0.82 0.01 0.00 -1.72 0.00 0.00 179.24 178.31 3n59 h ALA 89 N 1.29 0.47 0.00 3.45 0.00 -1.23 -2.99 119.26 120.25 3n59 h ALA 89 Ca 0.20 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3n59 h ALA 89 Cb 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3n59 h ALA 89 CO -0.01 0.22 -0.22 0.00 0.00 0.00 0.00 179.25 179.24 3n59 h ALA 91 N 1.78 1.58 -0.00 0.00 0.00 -1.12 -2.26 119.26 119.23 3n59 h ALA 91 Ca -0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3n59 h ALA 91 Cb 0.52 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3n59 h ALA 91 CO 0.03 0.08 -0.30 0.93 0.00 0.00 0.00 179.25 179.99 3n59 h GLU 92 N 0.00 0.01 -6.48 0.00 5.08 -1.48 -3.45 114.58 108.26 3n59 h GLU 92 Ca -0.00 -0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 3n59 h GLU 92 Cb 0.14 -0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.42 3n59 h GLU 92 CO 0.01 0.31 1.11 -0.51 -1.00 0.00 0.00 179.01 178.93 3n59 s LEU 93 N -8.36 4.40 -0.04 1.33 1.43 -0.85 -4.90 118.68 111.68 3n59 s LEU 93 Ca -0.03 2.71 -0.01 0.00 -1.03 0.00 0.00 54.13 55.76 3n59 s LEU 93 Cb 0.15 -3.56 -0.26 0.00 0.03 0.00 0.00 46.19 42.55 3n59 s LEU 93 CO 0.72 -1.00 0.68 0.77 0.23 0.00 0.00 176.35 177.75 3n59 h SER 94 N 8.85 0.32 -4.29 2.29 4.64 -1.87 -3.47 113.55 120.02 3n59 h SER 94 Ca -0.46 -0.55 -0.50 0.00 -0.47 0.00 0.00 61.79 59.81 3n59 h SER 94 Cb 1.22 -0.10 0.08 0.00 -0.31 0.00 0.00 62.40 63.29 3n59 h SER 94 CO 0.95 1.47 0.37 0.00 -0.87 0.00 0.00 176.83 178.75 3n59 s ALA 95 N -2.60 2.72 0.46 5.18 0.00 -1.26 -4.99 121.76 121.27 3n59 s ALA 95 Ca -0.12 0.18 -0.23 0.00 0.00 0.00 0.00 51.96 51.79 3n59 s ALA 95 Cb 0.07 -3.19 -0.09 0.00 0.00 0.00 0.00 23.12 19.91 3n59 s ALA 95 CO 0.82 -1.05 1.03 -2.30 0.00 0.00 0.00 175.76 174.26 3n59 n PRO 96 N -2.73 1.33 -4.36 0.00 -0.02 -1.26 -4.79 135.00 123.18 3n59 n PRO 96 Ca 0.08 0.48 -0.29 0.00 -2.02 0.00 0.00 63.50 61.75 3n59 n PRO 96 Cb 0.53 -2.11 -0.17 0.00 -0.02 0.00 0.00 33.50 31.73 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 -0.99 1.75 -0.21 2.45 2.96 -1.26 -1.94 118.68 121.44 3n59 s LEU 97 Ca 0.66 -0.46 -0.04 0.00 -0.22 0.00 0.00 54.13 54.07 3n59 s LEU 97 Cb -0.52 -1.14 -0.01 0.00 0.50 0.00 0.00 46.19 45.02 3n59 s LEU 97 CO 0.55 0.00 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.91 3n59 s ILE 98 N 1.11 3.46 -0.05 6.68 -1.09 0.05 -0.44 121.20 130.93 3n59 s ILE 98 Ca -0.04 -0.47 -0.24 0.00 -2.23 0.00 0.00 60.65 57.67 3n59 s ILE 98 Cb -0.14 -2.56 -0.04 0.00 -1.58 0.00 0.00 42.46 38.14 3n59 s ILE 98 CO -0.04 0.43 0.74 -0.70 -1.23 0.00 0.00 174.94 174.15 3n59 s GLU 99 N 1.29 4.46 -0.06 2.79 2.12 -0.36 -0.30 118.70 128.64 3n59 s GLU 99 Ca 0.04 0.97 0.04 0.00 0.36 0.00 0.00 54.97 56.38 3n59 s GLU 99 Cb -0.14 -3.44 -0.00 0.00 0.26 0.00 0.00 34.13 30.80 3n59 s GLU 99 CO -0.01 0.07 -0.18 0.08 -0.54 0.00 0.00 175.26 174.67 3n59 s VAL 100 N 0.76 1.56 -0.06 3.70 1.01 0.79 -0.37 120.40 127.80 3n59 s VAL 100 Ca 0.40 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.64 3n59 s VAL 100 Cb -0.18 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.85 3n59 s VAL 100 CO 0.20 0.45 -0.15 -1.00 0.00 0.00 0.00 175.10 174.60 3n59 s HIS 101 N 0.17 1.59 0.00 5.22 3.76 -0.30 -4.18 115.29 121.56 3n59 s HIS 101 Ca -0.08 -0.53 -0.25 0.00 -0.15 0.00 0.00 55.06 54.05 3n59 s HIS 101 Cb -0.14 -1.11 -0.19 0.00 1.11 0.00 0.00 32.58 32.25 3n59 s HIS 101 CO 0.04 -0.23 1.36 0.82 -0.85 0.00 0.00 174.74 175.87 3n59 h ILE 102 N 5.62 1.21 -3.16 0.60 2.04 -1.86 -2.59 117.51 119.36 3n59 h ILE 102 Ca -0.31 -0.83 -0.47 0.00 1.00 0.00 0.00 64.86 64.25 3n59 h ILE 102 Cb 1.18 1.76 0.04 0.00 -0.74 0.00 0.00 36.82 39.06 3n59 h ILE 102 CO 0.48 0.21 0.01 -0.94 0.00 0.00 0.00 178.15 177.91 3n59 s SER 103 N -5.50 5.87 -0.78 1.72 1.04 -1.26 -1.53 113.70 113.25 3n59 s SER 103 Ca -0.15 0.54 -0.26 0.00 0.48 0.00 0.00 55.95 56.56 3n59 s SER 103 Cb 0.03 -1.74 0.00 0.00 0.10 0.00 0.00 66.02 64.40 3n59 s SER 103 CO 0.65 -0.76 1.64 0.21 0.98 0.00 0.00 173.24 175.96 3n59 s ASN 104 N -4.21 5.71 0.46 7.02 3.84 -1.26 -2.62 114.94 123.88 3n59 s ASN 104 Ca 0.49 -0.40 0.31 0.00 0.21 0.00 0.00 52.86 53.47 3n59 s ASN 104 Cb -0.10 -2.55 1.66 0.00 -0.55 0.00 0.00 41.25 39.71 3n59 s ASN 104 CO 0.41 -2.15 1.93 1.62 -2.79 0.00 0.00 177.10 176.13 3n59 h VAL 105 N 6.70 0.00 0.00 -5.21 3.04 -1.92 -1.36 116.25 117.50 3n59 h VAL 105 Ca -0.12 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.57 3n59 h VAL 105 Cb 1.07 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.03 3n59 h VAL 105 CO 1.27 0.00 -0.96 1.41 -1.01 0.00 0.00 177.57 178.28 3n59 n HIS 106 N -2.58 0.31 0.68 3.17 8.25 -1.26 -3.96 115.22 119.83 3n59 n HIS 106 Ca -0.02 0.09 0.09 0.00 -0.26 0.00 0.00 57.72 57.62 3n59 n HIS 106 Cb 0.06 -0.47 0.25 0.00 1.12 0.00 0.00 29.99 30.95 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 -1.83 2.45 -2.60 -1.41 0.00 -0.51 -4.90 120.51 111.71 3n59 n ALA 107 Ca 0.02 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.70 3n59 n ALA 107 Cb 0.44 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 0.81 3.36 -2.34 0.00 1.74 -1.25 -5.10 116.66 113.88 3n59 n ARG 108 Ca 0.16 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.89 3n59 n ARG 108 Cb 0.41 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.84 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 4.22 3.54 0.51 5.56 8.01 -1.26 -4.95 118.70 134.32 3n59 s GLU 109 Ca 0.00 1.56 0.20 0.00 0.01 0.00 0.00 54.97 56.74 3n59 s GLU 109 Cb 0.00 -2.09 1.33 0.00 -4.31 0.00 0.00 34.13 29.06 3n59 s GLU 109 CO 0.00 -0.69 2.12 0.93 0.01 0.00 0.00 175.26 177.63 3n59 h GLU 110 N 1.42 0.00 0.00 1.61 3.07 -1.94 -2.27 114.58 116.48 3n59 h GLU 110 Ca -0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.36 3n59 h GLU 110 Cb 1.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 3n59 h GLU 110 CO 0.58 0.07 0.00 0.27 -1.40 0.00 0.00 179.01 178.53 3n59 h PHE 111 N 0.00 0.00 0.00 4.33 -5.15 -1.96 -2.34 116.94 111.82 3n59 h PHE 111 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3n59 h PHE 111 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.30 3n59 h PHE 111 CO 0.00 0.00 -0.17 0.54 -2.00 0.00 0.00 178.31 176.68 3n59 n ARG 112 N -2.72 0.00 0.00 6.09 1.74 -0.85 -3.67 116.66 117.25 3n59 n ARG 112 Ca 0.01 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.24 3n59 n ARG 112 Cb 0.27 -1.50 0.64 0.00 -1.02 0.00 0.00 32.46 30.85 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 -1.51 1.18 -4.27 5.56 1.74 -0.88 -4.69 116.66 113.80 3n59 n ARG 113 Ca 0.06 -0.50 -0.34 0.00 -0.77 0.00 0.00 57.85 56.31 3n59 n ARG 113 Cb 0.34 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.18 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 -2.16 3.09 -0.09 -1.55 2.46 -1.24 -5.07 115.29 110.72 3n59 s HIS 114 Ca 0.37 -0.20 0.02 0.00 0.47 0.00 0.00 55.06 55.71 3n59 s HIS 114 Cb 0.21 -2.00 0.02 0.00 -0.13 0.00 0.00 32.58 30.67 3n59 s HIS 114 CO 0.39 0.00 -0.13 0.45 -2.47 0.00 0.00 174.74 172.99 3n59 s SER 115 N 0.41 2.12 0.23 9.88 0.15 -1.26 -4.27 113.70 120.96 3n59 s SER 115 Ca -0.02 -0.35 0.25 0.00 0.70 0.00 0.00 55.95 56.53 3n59 s SER 115 Cb -0.14 -0.94 0.91 0.00 -1.71 0.00 0.00 66.02 64.14 3n59 s SER 115 CO 0.02 0.01 1.74 -1.22 1.20 0.00 0.00 173.24 174.99 3n59 n TYR 116 N 4.12 0.86 -0.03 3.44 4.01 -0.30 -3.74 117.16 125.52 3n59 n TYR 116 Ca -0.20 0.30 -0.12 0.00 -0.16 0.00 0.00 57.90 57.71 3n59 n TYR 116 Cb 0.51 -0.98 -0.14 0.00 -0.31 0.00 0.00 39.34 38.42 3n59 n TYR 116 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3n59 n LEU 117 N -2.24 1.32 -0.11 7.72 4.77 -1.26 -4.50 117.00 122.69 3n59 n LEU 117 Ca 0.04 0.28 -0.05 0.00 -0.03 0.00 0.00 56.01 56.25 3n59 n LEU 117 Cb 0.32 -0.17 0.02 0.00 -2.33 0.00 0.00 43.42 41.26 3n59 n LEU 117 CO 0.24 0.55 0.83 0.28 -1.33 0.00 0.00 177.39 177.96 3n59 h SER 118 N 0.02 -0.22 -0.46 -1.43 0.02 -1.93 -1.54 113.55 108.01 3n59 h SER 118 Ca -0.37 0.10 0.02 0.00 -0.84 0.00 0.00 61.79 60.69 3n59 h SER 118 Cb 2.04 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 64.74 3n59 h SER 118 CO 0.07 -0.07 0.30 -0.65 -1.14 0.00 0.00 176.83 175.34 3n59 h PRO 119 N 0.07 0.55 0.00 3.45 0.11 -1.79 -2.77 132.00 131.62 3n59 h PRO 119 Ca 0.19 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3n59 h PRO 119 Cb 0.27 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.26 3n59 h PRO 119 CO -0.34 0.37 -0.74 0.44 -0.21 0.00 0.00 178.00 177.52 3n59 n ILE 120 N -4.47 0.03 -2.14 4.15 -6.64 -1.02 -4.94 119.36 104.33 3n59 n ILE 120 Ca 0.04 -0.04 -0.31 0.00 -1.77 0.00 0.00 62.75 60.67 3n59 n ILE 120 Cb 0.09 0.48 -0.01 0.00 -1.44 0.00 0.00 39.64 38.76 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 -3.03 3.11 0.06 -1.28 0.00 -0.61 -4.92 121.76 115.09 3n59 s ALA 121 Ca 0.09 -0.00 -0.20 0.00 0.00 0.00 0.00 51.96 51.84 3n59 s ALA 121 Cb 0.16 -3.06 -0.11 0.00 0.00 0.00 0.00 23.12 20.11 3n59 s ALA 121 CO 0.77 -0.48 1.45 1.15 0.00 0.00 0.00 175.76 178.66 3n59 h THR 122 N 0.23 1.28 -3.22 0.00 2.02 -1.05 -3.48 112.91 108.70 3n59 h THR 122 Ca -0.45 -1.00 0.02 0.00 0.77 0.00 0.00 66.41 65.75 3n59 h THR 122 Cb 1.19 1.57 -0.06 0.00 -1.74 0.00 0.00 68.15 69.11 3n59 h THR 122 CO 0.62 0.30 0.11 -0.83 0.37 0.00 0.00 175.52 176.09 3n59 s GLY 123 N -3.18 0.14 -0.04 2.16 0.00 -1.18 -5.04 107.32 100.17 3n59 s GLY 123 Ca -0.14 -0.52 0.01 0.00 0.00 0.00 0.00 44.72 44.08 3n59 s GLY 123 CO 0.74 -0.28 -0.05 0.14 0.00 0.00 0.00 173.10 173.65 3n59 s VAL 124 N -3.90 0.58 -0.15 1.40 1.01 -1.26 -1.22 120.40 116.85 3n59 s VAL 124 Ca 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3n59 s VAL 124 Cb -0.04 -0.59 -0.00 0.00 0.00 0.00 0.00 36.38 35.74 3n59 s VAL 124 CO 0.08 0.23 -0.16 -0.63 0.00 0.00 0.00 175.10 174.63 3n59 s ILE 125 N 0.85 2.64 -0.00 2.22 1.01 0.50 -4.97 121.20 123.45 3n59 s ILE 125 Ca -0.12 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 59.77 3n59 s ILE 125 Cb -0.14 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.21 3n59 s ILE 125 CO 0.01 0.52 -0.08 -0.69 0.00 0.00 0.00 174.94 174.70 3n59 s VAL 126 N 0.82 0.59 0.00 2.92 1.01 -1.26 -1.15 120.40 123.33 3n59 s VAL 126 Ca -0.05 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.54 3n59 s VAL 126 Cb -0.15 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.72 3n59 s VAL 126 CO -0.00 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.83 3n59 n GLY 127 N 2.77 0.40 1.71 4.51 0.00 -0.98 -4.84 105.19 108.77 3n59 n GLY 127 Ca -0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 5.44 0.00 0.99 4.77 -1.22 -4.62 117.00 122.36 3n59 n LEU 128 Ca 0.00 -3.05 0.00 0.00 -0.03 0.00 0.00 56.01 52.93 3n59 n LEU 128 Cb 0.11 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 3n59 n LEU 128 CO 0.00 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 3n59 n GLY 129 N 0.16 0.75 0.23 -0.72 0.00 -0.59 -3.32 105.19 101.71 3n59 n GLY 129 Ca 0.30 -0.72 0.07 0.00 0.00 0.00 0.00 46.02 45.66 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 1.04 0.00 -0.61 5.03 -1.95 -2.63 117.51 118.39 3n59 h ILE 130 Ca 0.00 -0.55 0.00 0.00 -0.12 0.00 0.00 64.86 64.19 3n59 h ILE 130 Cb 0.00 1.30 0.00 0.00 -3.03 0.00 0.00 36.82 35.09 3n59 h ILE 130 CO 0.00 0.15 0.00 -0.61 -0.68 0.00 0.00 178.15 177.01 3n59 h GLN 131 N 0.00 0.00 -0.79 2.37 4.15 -1.97 -2.57 115.11 116.29 3n59 h GLN 131 Ca -0.00 0.00 0.14 0.00 0.77 0.00 0.00 58.65 59.56 3n59 h GLN 131 Cb 0.29 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.92 3n59 h GLN 131 CO 0.02 0.00 0.52 0.78 -1.93 0.00 0.00 178.83 178.22 3n59 h GLY 132 N 0.83 0.86 0.87 2.39 0.00 -1.51 0.42 103.07 106.93 3n59 h GLY 132 Ca 0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 3n59 h GLY 132 CO 0.00 0.08 -0.01 -0.97 0.00 0.00 0.00 176.54 175.63 3n59 h TYR 133 N 0.51 0.55 -0.17 5.60 -1.99 -1.69 -2.06 116.97 117.72 3n59 h TYR 133 Ca 0.39 -0.10 -0.15 0.00 2.00 0.00 0.00 58.73 60.87 3n59 h TYR 133 Cb 0.78 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 39.36 3n59 h TYR 133 CO -0.00 0.66 -0.53 -0.07 -0.00 0.00 0.00 178.16 178.22 3n59 h LEU 134 N 0.28 0.53 -0.72 3.88 3.38 -1.45 -1.28 115.31 119.93 3n59 h LEU 134 Ca 0.08 -0.28 -0.13 0.00 0.09 0.00 0.00 57.88 57.64 3n59 h LEU 134 Cb 0.45 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3n59 h LEU 134 CO 0.02 0.96 -0.38 -0.07 0.09 0.00 0.00 178.44 179.06 3n59 h LEU 135 N 0.37 0.56 -0.98 1.67 3.38 -1.00 -1.93 115.31 117.39 3n59 h LEU 135 Ca 0.01 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 3n59 h LEU 135 Cb 1.05 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 3n59 h LEU 135 CO 0.10 0.89 0.04 0.00 0.09 0.00 0.00 178.44 179.55 3n59 h ALA 136 N 1.14 1.16 -0.50 1.53 0.00 -1.06 -2.45 119.26 119.07 3n59 h ALA 136 Ca 0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3n59 h ALA 136 Cb 0.87 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3n59 h ALA 136 CO 0.07 0.55 0.23 -0.07 0.00 0.00 0.00 179.25 180.04 3n59 h LEU 137 N 0.74 0.67 -1.39 0.00 3.38 -0.96 -2.88 115.31 114.86 3n59 h LEU 137 Ca 0.15 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3n59 h LEU 137 Cb 0.40 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3n59 h LEU 137 CO 0.01 0.62 0.02 -0.09 0.09 0.00 0.00 178.44 179.09 3n59 h ARG 138 N 0.67 0.42 -0.60 1.13 2.43 -1.08 -1.03 114.38 116.32 3n59 h ARG 138 Ca 0.17 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 3n59 h ARG 138 Cb 0.14 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 3n59 h ARG 138 CO -0.02 0.43 0.22 -0.92 -1.51 0.00 0.00 179.97 178.17 3n59 h TYR 139 N 0.41 0.94 -0.29 2.20 3.20 -1.31 -3.05 116.97 119.08 3n59 h TYR 139 Ca 0.09 -0.08 -0.17 0.00 3.14 0.00 0.00 58.73 61.71 3n59 h TYR 139 Cb 0.24 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.23 3n59 h TYR 139 CO 0.01 0.77 -0.50 -0.07 -1.64 0.00 0.00 178.16 176.73 3n59 h LEU 140 N 0.85 0.88 -2.06 2.82 3.38 -1.13 -2.77 115.31 117.28 3n59 h LEU 140 Ca 0.20 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3n59 h LEU 140 Cb 0.24 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3n59 h LEU 140 CO -0.01 1.22 0.00 0.00 0.09 0.00 0.00 178.44 179.74 3n59 h ALA 141 N 0.80 1.00 0.00 1.53 0.00 -1.23 -2.10 119.26 119.26 3n59 h ALA 141 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3n59 h ALA 141 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3n59 h ALA 141 CO 0.11 0.00 -0.94 -1.91 0.00 0.00 0.00 179.25 176.51 3n59 n GLU 142 N -2.87 0.03 0.00 0.00 4.07 -1.07 -5.10 120.64 115.70 3n59 n GLU 142 Ca -0.01 -0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 3n59 n GLU 142 Cb 0.15 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.03 3n59 n GLU 142 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79