#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 5.10 -0.16 1.47 1.01 -1.26 0.02 121.20 127.38 3n59 s ILE 4 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.55 3n59 s ILE 4 Cb 0.00 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 38.94 3n59 s ILE 4 CO 0.00 0.15 -0.08 -0.69 0.00 0.00 0.00 174.94 174.32 3n59 s VAL 5 N 1.71 3.36 -0.26 2.92 1.01 0.34 -4.12 120.40 125.37 3n59 s VAL 5 Ca 0.06 -0.53 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 3n59 s VAL 5 Cb -0.17 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 3n59 s VAL 5 CO 0.09 0.49 0.44 0.20 0.00 0.00 0.00 175.10 176.32 3n59 s ASN 6 N 0.69 6.35 -0.26 3.32 0.01 -0.68 -1.32 114.94 123.05 3n59 s ASN 6 Ca -0.04 0.41 -0.09 0.00 -0.71 0.00 0.00 52.86 52.43 3n59 s ASN 6 Cb -0.15 -2.24 -0.04 0.00 0.41 0.00 0.00 41.25 39.23 3n59 s ASN 6 CO 0.02 -0.22 0.12 -0.69 -1.51 0.00 0.00 177.10 174.82 3n59 s VAL 7 N 2.13 4.74 -0.13 1.60 1.01 -0.35 -0.14 120.40 129.25 3n59 s VAL 7 Ca 0.18 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.15 3n59 s VAL 7 Cb -0.16 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 33.01 3n59 s VAL 7 CO 0.09 0.31 -0.16 -0.63 0.00 0.00 0.00 175.10 174.71 3n59 s ILE 8 N 1.59 1.66 -0.12 2.22 1.01 0.46 -1.52 121.20 126.49 3n59 s ILE 8 Ca 0.06 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 60.00 3n59 s ILE 8 Cb -0.15 -1.52 -0.02 0.00 0.01 0.00 0.00 42.46 40.78 3n59 s ILE 8 CO 0.06 0.47 -0.10 0.20 0.00 0.00 0.00 174.94 175.58 3n59 s ASN 9 N 1.17 4.31 0.00 3.58 0.01 -0.13 -1.27 114.94 122.61 3n59 s ASN 9 Ca -0.01 -0.22 0.00 0.00 -0.71 0.00 0.00 52.86 51.92 3n59 s ASN 9 Cb -0.14 -1.51 0.00 0.00 0.41 0.00 0.00 41.25 40.01 3n59 s ASN 9 CO -0.06 0.21 0.00 0.61 -1.51 0.00 0.00 177.10 176.35 3n59 n GLY 10 N 3.21 0.37 3.69 0.66 0.00 0.13 -1.64 105.19 111.62 3n59 n GLY 10 Ca -0.18 -1.68 -0.40 0.00 0.00 0.00 0.00 46.02 43.76 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 0.00 1.72 -0.54 1.61 -0.02 -1.14 -2.92 135.00 133.71 3n59 n PRO 11 Ca 0.00 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3n59 n PRO 11 Cb 0.00 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 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 -0.03 0.00 0.02 2.55 3.02 -1.26 -4.53 115.26 115.03 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 0.41 -1.43 0.34 0.00 -0.61 0.00 0.00 39.78 38.49 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 0.44 -0.15 3.41 4.77 -1.15 -2.59 117.00 121.73 3n59 n LEU 13 Ca 0.00 0.22 0.12 0.00 -0.03 0.00 0.00 56.01 56.32 3n59 n LEU 13 Cb 0.00 -0.30 0.62 0.00 -2.33 0.00 0.00 43.42 41.41 3n59 n LEU 13 CO 0.00 0.03 0.91 0.61 -1.33 0.00 0.00 177.39 177.61 3n59 n GLY 14 N 1.45 -0.66 0.88 -0.72 0.00 -1.26 -3.71 105.19 101.16 3n59 n GLY 14 Ca 0.05 -0.23 0.07 0.00 0.00 0.00 0.00 46.02 45.92 3n59 n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n59 n ARG 15 N -0.54 2.68 -2.19 1.61 5.12 -1.07 -4.72 116.66 117.56 3n59 n ARG 15 Ca 0.18 -2.87 -0.36 0.00 -1.93 0.00 0.00 57.85 52.86 3n59 n ARG 15 Cb 0.16 -1.82 0.00 0.00 -1.16 0.00 0.00 32.46 29.64 3n59 n ARG 15 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3n59 s LEU 16 N -2.89 3.87 0.00 0.55 1.43 -1.24 -2.31 118.68 118.08 3n59 s LEU 16 Ca 0.42 2.31 0.00 0.00 -1.03 0.00 0.00 54.13 55.83 3n59 s LEU 16 Cb 0.35 -4.40 0.00 0.00 0.03 0.00 0.00 46.19 42.17 3n59 s LEU 16 CO 0.07 -1.16 0.00 0.61 0.23 0.00 0.00 176.35 176.11 3n59 n GLY 17 N 0.39 2.91 0.25 -3.19 0.00 -1.05 -4.11 105.19 100.39 3n59 n GLY 17 Ca 0.10 -0.46 0.06 0.00 0.00 0.00 0.00 46.02 45.71 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 2.04 -0.04 1.61 0.00 -1.20 -3.67 116.66 115.40 3n59 n ARG 18 Ca 0.00 -0.62 -0.13 0.00 -0.00 0.00 0.00 57.85 57.09 3n59 n ARG 18 Cb 0.00 -1.13 -0.11 0.00 -0.00 0.00 0.00 32.46 31.22 3n59 n ARG 18 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.63 177.70 3n59 h ARG 19 N 1.23 0.01 0.00 2.89 0.11 -1.73 -3.51 114.38 113.38 3n59 h ARG 19 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 3n59 h ARG 19 Cb 0.39 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.48 3n59 h ARG 19 CO 0.00 0.72 0.00 -0.85 0.10 0.00 0.00 179.97 179.94 3n59 n GLU 20 N -4.74 0.00 -1.77 0.08 0.28 -1.26 -5.03 120.64 108.20 3n59 n GLU 20 Ca -0.09 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.49 3n59 n GLU 20 Cb 0.36 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.21 3n59 n GLU 20 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 3n59 s TYR 24 N 0.65 2.80 0.00 -1.84 -0.00 -1.26 -4.24 117.35 113.45 3n59 s TYR 24 Ca 0.00 0.66 0.00 0.00 -0.00 0.00 0.00 57.07 57.73 3n59 s TYR 24 Cb 0.00 -4.09 0.00 0.00 -0.00 0.00 0.00 41.96 37.87 3n59 s TYR 24 CO 0.00 -3.79 0.00 0.41 -0.00 0.00 0.00 175.55 172.17 3n59 n GLY 25 N 2.66 6.58 1.06 5.49 0.00 -1.26 -4.84 105.19 114.88 3n59 n GLY 25 Ca 0.10 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 5.00 2.47 3.68 -0.02 0.00 -1.24 -4.81 105.19 110.27 3n59 n GLY 26 Ca 0.00 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 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 4.38 0.80 2.61 2.01 -1.26 -4.48 115.64 119.71 3n59 s THR 27 Ca 0.00 1.69 -0.12 0.00 0.31 0.00 0.00 61.69 63.57 3n59 s THR 27 Cb 0.00 -4.09 0.08 0.00 0.01 0.00 0.00 72.50 68.50 3n59 s THR 27 CO 0.00 -0.02 1.15 0.42 -0.69 0.00 0.00 174.62 175.48 3n59 s THR 28 N 2.30 2.40 0.22 -0.82 -4.23 -1.26 -2.51 115.64 111.74 3n59 s THR 28 Ca 0.54 0.13 -0.02 0.00 -1.18 0.00 0.00 61.69 61.16 3n59 s THR 28 Cb -0.23 -3.06 0.01 0.00 1.34 0.00 0.00 72.50 70.55 3n59 s THR 28 CO 0.20 -0.17 1.60 -0.74 -0.54 0.00 0.00 174.62 174.97 3n59 h HIS 29 N -1.05 0.72 -0.91 3.99 2.76 -1.85 -1.97 115.15 116.84 3n59 h HIS 29 Ca -0.47 -0.20 -0.00 0.00 -2.20 0.00 0.00 60.37 57.51 3n59 h HIS 29 Cb 1.31 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 30.07 3n59 h HIS 29 CO 0.36 0.89 0.57 -0.44 -1.30 0.00 0.00 177.93 178.01 3n59 h ASP 30 N 0.51 1.08 -0.02 3.26 3.45 -1.94 -0.97 116.42 121.79 3n59 h ASP 30 Ca 0.05 -0.06 -0.13 0.00 0.43 0.00 0.00 57.03 57.33 3n59 h ASP 30 Cb 0.86 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 39.35 3n59 h ASP 30 CO 0.07 0.82 -0.39 -0.33 -1.57 0.00 0.00 179.24 177.84 3n59 h GLU 31 N 1.25 0.53 -0.73 3.56 5.08 -1.92 -2.67 114.58 119.69 3n59 h GLU 31 Ca 0.33 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3n59 h GLU 31 Cb -0.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 3n59 h GLU 31 CO -0.06 0.84 0.30 1.25 -1.00 0.00 0.00 179.01 180.34 3n59 h LEU 32 N 0.44 0.99 -0.65 1.33 5.85 -0.77 0.57 115.31 123.07 3n59 h LEU 32 Ca 0.04 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 3n59 h LEU 32 Cb 0.88 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 3n59 h LEU 32 CO 0.07 0.88 0.31 0.58 -0.34 0.00 0.00 178.44 179.95 3n59 h VAL 33 N 1.04 1.22 -0.51 1.05 2.07 -1.11 -1.40 116.25 118.60 3n59 h VAL 33 Ca 0.24 -0.63 -0.12 0.00 0.82 0.00 0.00 66.70 67.02 3n59 h VAL 33 Cb 0.19 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3n59 h VAL 33 CO -0.02 0.26 -0.13 0.00 0.02 0.00 0.00 177.57 177.69 3n59 h ALA 34 N 1.14 0.79 -0.23 1.67 0.00 -1.12 -1.51 119.26 120.01 3n59 h ALA 34 Ca 0.22 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 3n59 h ALA 34 Cb 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3n59 h ALA 34 CO -0.03 0.66 -0.42 -0.07 0.00 0.00 0.00 179.25 179.39 3n59 h LEU 35 N 0.87 0.59 -0.18 0.00 3.38 -0.76 -1.49 115.31 117.73 3n59 h LEU 35 Ca 0.13 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 3n59 h LEU 35 Cb 0.69 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3n59 h LEU 35 CO 0.05 0.94 -0.28 0.40 0.09 0.00 0.00 178.44 179.64 3n59 h ILE 36 N 0.46 1.34 0.00 1.22 2.04 -1.20 -2.27 117.51 119.10 3n59 h ILE 36 Ca 0.04 -1.50 -0.06 0.00 1.00 0.00 0.00 64.86 64.33 3n59 h ILE 36 Cb 0.93 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 3n59 h ILE 36 CO 0.08 0.46 -0.27 -0.33 0.00 0.00 0.00 178.15 178.08 3n59 h GLU 37 N 0.14 0.00 -0.25 2.37 5.08 -1.26 0.49 114.58 121.15 3n59 h GLU 37 Ca 0.01 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.22 3n59 h GLU 37 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 3n59 h GLU 37 CO 0.06 0.27 -0.45 -0.09 -1.00 0.00 0.00 179.01 177.81 3n59 h ARG 38 N 0.00 0.75 -0.11 2.33 2.43 -1.25 -3.05 114.38 115.48 3n59 h ARG 38 Ca -0.00 -0.47 -0.23 0.00 -0.81 0.00 0.00 59.98 58.47 3n59 h ARG 38 Cb 0.53 0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.14 3n59 h ARG 38 CO 0.04 1.10 -0.81 1.49 -1.51 0.00 0.00 179.97 180.27 3n59 h GLU 39 N 0.49 0.75 -0.51 0.20 4.57 -0.99 -2.91 114.58 116.18 3n59 h GLU 39 Ca 0.02 -0.65 -0.01 0.00 -1.18 0.00 0.00 59.36 57.53 3n59 h GLU 39 Cb 1.05 0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.77 3n59 h GLU 39 CO 0.10 1.25 0.28 0.00 -1.18 0.00 0.00 179.01 179.47 3n59 h ALA 40 N 0.50 0.65 -0.51 2.92 0.00 -1.02 -2.50 119.26 119.31 3n59 h ALA 40 Ca -0.07 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3n59 h ALA 40 Cb 1.45 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3n59 h ALA 40 CO 0.17 0.17 0.12 0.00 0.00 0.00 0.00 179.25 179.71 3n59 h ALA 41 N 1.12 1.25 0.00 0.00 0.00 -1.55 0.46 119.26 120.54 3n59 h ALA 41 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3n59 h ALA 41 Cb 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3n59 h ALA 41 CO -0.03 0.52 0.00 0.39 0.00 0.00 0.00 179.25 180.13 3n59 n GLU 42 N -4.28 0.18 0.00 0.00 1.02 -0.99 -2.84 120.64 113.72 3n59 n GLU 42 Ca 0.04 0.47 0.03 0.00 -0.02 0.00 0.00 57.16 57.68 3n59 n GLU 42 Cb 0.22 -1.89 -0.00 0.00 -0.02 0.00 0.00 31.44 29.75 3n59 n GLU 42 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3n59 n LEU 43 N -2.23 0.93 0.00 -4.62 4.77 -0.68 -5.00 117.00 110.16 3n59 n LEU 43 Ca 0.01 -0.75 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 3n59 n LEU 43 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3n59 n LEU 43 CO 0.17 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3n59 n GLY 44 N 0.78 0.70 3.91 -0.72 0.00 -0.26 -5.00 105.19 104.60 3n59 n GLY 44 Ca 0.03 -0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 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 4.14 -0.30 0.99 1.43 0.14 -4.92 118.68 120.17 3n59 s LEU 45 Ca 0.00 -0.02 -0.00 0.00 -1.03 0.00 0.00 54.13 53.08 3n59 s LEU 45 Cb 0.00 -2.69 0.06 0.00 0.03 0.00 0.00 46.19 43.59 3n59 s LEU 45 CO 0.00 -0.03 -0.01 -0.75 0.23 0.00 0.00 176.35 175.79 3n59 s LYS 46 N -3.76 2.29 -0.17 1.70 2.36 0.10 -3.43 119.74 118.83 3n59 s LYS 46 Ca 0.34 -1.37 -0.12 0.00 -2.55 0.00 0.00 55.97 52.27 3n59 s LYS 46 Cb -0.09 -3.15 -0.05 0.00 -1.05 0.00 0.00 37.83 33.49 3n59 s LYS 46 CO 0.27 -0.66 0.22 0.00 1.55 0.00 0.00 175.35 176.73 3n59 s ALA 47 N 1.19 3.66 -0.33 3.13 0.00 -1.26 -0.50 121.76 127.64 3n59 s ALA 47 Ca -0.04 -0.56 -0.04 0.00 0.00 0.00 0.00 51.96 51.32 3n59 s ALA 47 Cb -0.20 -2.27 0.05 0.00 0.00 0.00 0.00 23.12 20.70 3n59 s ALA 47 CO -0.03 0.17 0.07 0.08 0.00 0.00 0.00 175.76 176.06 3n59 s VAL 48 N 0.27 3.39 -0.23 0.00 1.01 -0.43 -4.91 120.40 119.49 3n59 s VAL 48 Ca 0.13 -1.35 -0.09 0.00 0.00 0.00 0.00 61.98 60.68 3n59 s VAL 48 Cb -0.12 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 3n59 s VAL 48 CO 0.02 -0.21 0.11 -0.69 0.00 0.00 0.00 175.10 174.32 3n59 s VAL 49 N 1.31 4.82 0.01 2.92 1.01 -1.26 -1.21 120.40 128.00 3n59 s VAL 49 Ca -0.02 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.96 3n59 s VAL 49 Cb -0.20 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 3n59 s VAL 49 CO 0.00 0.36 -0.03 -0.13 0.00 0.00 0.00 175.10 175.30 3n59 s ARG 50 N 1.18 0.27 0.03 2.72 0.52 -0.58 -5.01 118.95 118.07 3n59 s ARG 50 Ca 0.06 -0.35 0.06 0.00 -0.52 0.00 0.00 55.73 54.98 3n59 s ARG 50 Cb -0.14 -0.10 -0.02 0.00 0.52 0.00 0.00 34.95 35.21 3n59 s ARG 50 CO 0.04 0.02 -0.19 -1.14 0.02 0.00 0.00 175.30 174.05 3n59 s GLN 51 N -0.73 1.33 -0.16 3.54 -0.44 -1.26 -0.95 119.66 120.98 3n59 s GLN 51 Ca -0.06 -0.82 -0.13 0.00 -2.50 0.00 0.00 55.36 51.85 3n59 s GLN 51 Cb -0.05 -1.37 0.04 0.00 -1.64 0.00 0.00 33.01 29.99 3n59 s GLN 51 CO -0.00 0.36 0.41 0.45 0.50 0.00 0.00 175.29 177.00 3n59 s SER 52 N -0.94 -0.45 0.00 6.67 0.15 -0.65 -4.98 113.70 113.50 3n59 s SER 52 Ca 0.06 0.84 0.28 0.00 0.70 0.00 0.00 55.95 57.84 3n59 s SER 52 Cb -0.08 0.82 1.11 0.00 -1.71 0.00 0.00 66.02 66.16 3n59 s SER 52 CO 0.01 -0.15 1.81 0.47 1.20 0.00 0.00 173.24 176.57 3n59 n ASP 53 N 3.18 0.33 -4.61 5.45 8.00 -1.26 -2.87 116.55 124.77 3n59 n ASP 53 Ca -0.16 -0.22 -0.39 0.00 0.71 0.00 0.00 54.79 54.73 3n59 n ASP 53 Cb 0.57 -0.13 -0.09 0.00 -0.02 0.00 0.00 41.12 41.44 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 -2.71 6.23 0.20 -2.24 0.15 -1.26 -4.70 113.70 109.38 3n59 s SER 54 Ca 0.22 0.26 -0.10 0.00 0.70 0.00 0.00 55.95 57.03 3n59 s SER 54 Cb 0.19 -2.19 0.18 0.00 -1.71 0.00 0.00 66.02 62.49 3n59 s SER 54 CO 0.53 -0.14 1.84 -0.08 1.20 0.00 0.00 173.24 176.59 3n59 h GLU 55 N 8.06 0.78 -0.48 5.44 4.81 -2.00 -2.32 114.58 128.88 3n59 h GLU 55 Ca -0.33 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.83 3n59 h GLU 55 Cb 1.17 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.35 3n59 h GLU 55 CO 0.64 0.52 0.22 0.00 -0.73 0.00 0.00 179.01 179.65 3n59 h ALA 56 N 1.30 1.49 -0.18 2.92 0.00 -1.99 -0.44 119.26 122.36 3n59 h ALA 56 Ca 0.27 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.89 3n59 h ALA 56 Cb 0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3n59 h ALA 56 CO -0.11 0.40 -0.64 0.37 0.00 0.00 0.00 179.25 179.27 3n59 h GLN 57 N 0.67 0.64 -0.56 0.00 5.75 -1.91 -2.01 115.11 117.70 3n59 h GLN 57 Ca 0.17 -0.46 -0.03 0.00 -0.15 0.00 0.00 58.65 58.18 3n59 h GLN 57 Cb 0.09 0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 3n59 h GLN 57 CO -0.02 1.08 0.23 -0.07 -2.65 0.00 0.00 178.83 177.39 3n59 h LEU 58 N 0.47 0.78 -0.81 -2.39 3.38 -0.95 -2.22 115.31 113.57 3n59 h LEU 58 Ca -0.01 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.80 3n59 h LEU 58 Cb 1.23 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 3n59 h LEU 58 CO 0.13 0.74 0.53 -0.07 0.09 0.00 0.00 178.44 179.85 3n59 h LEU 59 N 0.77 0.91 -0.72 1.67 3.38 -1.02 -2.40 115.31 117.90 3n59 h LEU 59 Ca 0.19 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 3n59 h LEU 59 Cb 0.20 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3n59 h LEU 59 CO -0.02 0.65 0.34 -0.78 0.09 0.00 0.00 178.44 178.72 3n59 h ASP 60 N 1.08 0.95 -0.45 -0.43 3.58 -1.18 -1.45 116.42 118.51 3n59 h ASP 60 Ca 0.30 -0.14 -0.10 0.00 0.42 0.00 0.00 57.03 57.51 3n59 h ASP 60 Cb -0.09 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.69 3n59 h ASP 60 CO -0.08 0.83 -0.09 -0.50 -2.88 0.00 0.00 179.24 176.52 3n59 h TRP 61 N 1.01 1.01 0.00 0.28 6.55 -1.04 -1.46 115.95 122.31 3n59 h TRP 61 Ca 0.25 -0.19 -0.11 0.00 0.95 0.00 0.00 58.89 59.79 3n59 h TRP 61 Cb 0.14 -0.26 -0.02 0.00 -0.86 0.00 0.00 29.16 28.16 3n59 h TRP 61 CO 0.01 0.95 -0.50 -0.84 -1.05 0.00 0.00 178.44 177.01 3n59 h ILE 62 N 0.83 0.93 -0.54 1.49 3.07 -1.38 -1.90 117.51 120.00 3n59 h ILE 62 Ca 0.14 -2.10 -0.03 0.00 1.55 0.00 0.00 64.86 64.42 3n59 h ILE 62 Cb 0.62 2.31 -0.02 0.00 -0.27 0.00 0.00 36.82 39.45 3n59 h ILE 62 CO 0.04 0.49 0.23 0.45 -1.05 0.00 0.00 178.15 178.31 3n59 h HIS 63 N 0.00 0.81 -0.63 0.16 3.86 -1.01 -0.32 115.15 118.02 3n59 h HIS 63 Ca -0.01 -0.06 -0.06 0.00 -1.16 0.00 0.00 60.37 59.09 3n59 h HIS 63 Cb 1.27 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 29.47 3n59 h HIS 63 CO 0.00 0.66 0.14 1.96 0.86 0.00 0.00 177.93 181.55 3n59 h GLN 64 N 0.73 1.00 0.00 2.45 4.20 -1.13 -1.58 115.11 120.78 3n59 h GLN 64 Ca 0.18 -0.23 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 3n59 h GLN 64 Cb 0.18 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3n59 h GLN 64 CO -0.02 0.89 -0.30 0.00 -0.67 0.00 0.00 178.83 178.73 3n59 h ALA 65 N 1.20 1.04 -0.08 3.87 0.00 -1.17 -1.29 119.26 122.82 3n59 h ALA 65 Ca 0.20 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 3n59 h ALA 65 Cb 0.35 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.10 3n59 h ALA 65 CO 0.00 0.38 -0.50 0.00 0.00 0.00 0.00 179.25 179.13 3n59 h ALA 66 N 1.70 0.17 -0.53 0.00 0.00 -0.62 -0.90 119.26 119.08 3n59 h ALA 66 Ca -0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 54.91 54.28 3n59 h ALA 66 Cb 0.80 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3n59 h ALA 66 CO 0.04 0.36 -0.15 -0.44 0.00 0.00 0.00 179.25 179.06 3n59 h ASP 67 N 0.06 1.04 0.45 0.00 3.32 -1.17 -3.00 116.42 117.12 3n59 h ASP 67 Ca -0.04 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.64 3n59 h ASP 67 Cb 1.16 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 40.42 3n59 h ASP 67 CO 0.10 1.17 -0.13 0.00 -1.72 0.00 0.00 179.24 178.66 3n59 n ALA 68 N -2.51 2.78 -3.77 3.45 0.00 -0.50 -4.94 120.51 115.03 3n59 n ALA 68 Ca 0.01 -0.25 -0.25 0.00 0.00 0.00 0.00 53.44 52.95 3n59 n ALA 68 Cb 0.43 -1.33 0.04 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.07 -1.65 -2.87 0.00 0.00 -0.86 -5.00 120.51 109.06 3n59 n ALA 69 Ca 0.13 0.04 -0.35 0.00 0.00 0.00 0.00 53.44 53.26 3n59 n ALA 69 Cb 0.29 -3.35 -0.06 0.00 0.00 0.00 0.00 19.45 16.34 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 -6.24 3.37 0.61 0.00 2.02 -0.40 -4.65 118.70 113.41 3n59 s GLU 70 Ca 0.33 -0.27 -0.19 0.00 0.02 0.00 0.00 54.97 54.86 3n59 s GLU 70 Cb -0.16 -3.09 -0.03 0.00 0.10 0.00 0.00 34.13 30.95 3n59 s GLU 70 CO 0.81 0.71 1.25 -1.25 0.02 0.00 0.00 175.26 176.80 3n59 s PRO 71 N -1.53 2.82 -0.08 0.39 0.04 -1.26 -4.66 135.00 130.73 3n59 s PRO 71 Ca 0.22 1.94 0.02 0.00 0.04 0.00 0.00 61.00 63.21 3n59 s PRO 71 Cb -0.12 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.52 3n59 s PRO 71 CO 0.12 -1.35 -0.13 0.08 0.04 0.00 0.00 177.00 175.75 3n59 s VAL 72 N -1.50 1.25 -0.33 -0.36 1.01 -0.73 -1.69 120.40 118.05 3n59 s VAL 72 Ca 0.79 -0.53 -0.08 0.00 0.00 0.00 0.00 61.98 62.16 3n59 s VAL 72 Cb -0.34 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 34.92 3n59 s VAL 72 CO 0.36 0.38 0.12 -0.63 0.00 0.00 0.00 175.10 175.33 3n59 s ILE 73 N 0.73 4.09 -0.15 2.22 1.01 0.80 -0.89 121.20 129.01 3n59 s ILE 73 Ca -0.13 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.69 3n59 s ILE 73 Cb -0.16 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.11 3n59 s ILE 73 CO 0.03 -0.07 -0.18 -0.22 0.00 0.00 0.00 174.94 174.50 3n59 s LEU 74 N 1.49 2.32 -0.38 2.97 2.96 0.42 -0.41 118.68 128.06 3n59 s LEU 74 Ca 0.01 -0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 53.36 3n59 s LEU 74 Cb -0.18 -1.52 0.09 0.00 0.50 0.00 0.00 46.19 45.08 3n59 s LEU 74 CO 0.04 0.08 0.15 0.21 -1.32 0.00 0.00 176.35 175.51 3n59 s ASN 75 N 0.86 5.18 0.00 3.68 3.84 -0.40 -1.17 114.94 126.93 3n59 s ASN 75 Ca -0.05 -1.82 0.30 0.00 0.21 0.00 0.00 52.86 51.50 3n59 s ASN 75 Cb -0.15 -1.80 1.52 0.00 -0.55 0.00 0.00 41.25 40.26 3n59 s ASN 75 CO -0.02 -0.47 2.01 0.00 -2.79 0.00 0.00 177.10 175.84 3n59 n ALA 76 N 4.61 2.66 -0.98 1.71 0.00 -1.26 0.22 120.51 127.47 3n59 n ALA 76 Ca -0.05 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.11 3n59 n ALA 76 Cb 0.42 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 3.29 0.27 0.00 0.00 -1.26 -2.43 105.19 106.17 3n59 n GLY 77 Ca 0.20 -0.23 0.15 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.95 -2.84 103.07 100.25 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 1.41 0.00 0.00 0.00 176.54 177.95 3n59 h LEU 79 N 0.00 0.00 -0.99 3.11 3.38 -1.87 -2.88 115.31 116.06 3n59 h LEU 79 Ca -0.00 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.16 3n59 h LEU 79 Cb 0.33 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.97 3n59 h LEU 79 CO 0.01 0.00 0.59 0.74 0.09 0.00 0.00 178.44 179.87 3n59 h THR 80 N 0.00 0.67 -0.01 0.22 2.02 -1.63 -0.03 112.91 114.16 3n59 h THR 80 Ca 0.00 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.93 3n59 h THR 80 Cb 0.39 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 3n59 h THR 80 CO 0.00 0.13 -0.63 1.41 0.37 0.00 0.00 175.52 176.80 3n59 n HIS 81 N -4.80 0.00 0.00 3.16 8.25 -1.09 -1.42 115.22 119.32 3n59 n HIS 81 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 3n59 n HIS 81 Cb 0.59 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.67 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 -0.65 0.00 -3.14 1.59 -2.24 -0.97 -4.82 114.28 104.06 3n59 n THR 82 Ca 0.08 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.44 3n59 n THR 82 Cb 0.40 -0.73 -0.07 0.00 -2.10 0.00 0.00 70.33 67.83 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 -2.92 6.42 0.03 3.42 0.15 -0.06 -4.90 113.70 115.85 3n59 s SER 83 Ca 0.00 0.20 -0.03 0.00 0.70 0.00 0.00 55.95 56.81 3n59 s SER 83 Cb 0.00 -2.32 -0.28 0.00 -1.71 0.00 0.00 66.02 61.72 3n59 s SER 83 CO 0.00 -0.54 0.96 0.58 1.20 0.00 0.00 173.24 175.45 3n59 h VAL 84 N 5.62 1.28 -0.76 4.45 2.07 -1.97 -3.25 116.25 123.69 3n59 h VAL 84 Ca -0.27 -2.90 0.05 0.00 0.82 0.00 0.00 66.70 64.41 3n59 h VAL 84 Cb 1.12 2.82 -0.06 0.00 -1.52 0.00 0.00 31.29 33.65 3n59 h VAL 84 CO 0.81 0.84 0.46 0.00 0.02 0.00 0.00 177.57 179.70 3n59 h ALA 85 N 0.54 1.03 -0.50 1.67 0.00 -1.98 0.06 119.26 120.07 3n59 h ALA 85 Ca -0.20 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 3n59 h ALA 85 Cb 2.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.58 3n59 h ALA 85 CO 0.18 0.19 -0.06 1.25 0.00 0.00 0.00 179.25 180.80 3n59 h LEU 86 N 0.85 0.92 -0.23 0.00 5.85 -1.95 -2.27 115.31 118.48 3n59 h LEU 86 Ca 0.33 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3n59 h LEU 86 Cb 0.15 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3n59 h LEU 86 CO -0.16 1.04 0.10 -0.09 -0.34 0.00 0.00 178.44 178.98 3n59 h ARG 87 N 0.78 0.21 -0.54 1.25 2.43 -1.49 -1.04 114.38 115.99 3n59 h ARG 87 Ca 0.13 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 3n59 h ARG 87 Cb 0.60 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 3n59 h ARG 87 CO 0.04 0.14 0.26 -0.44 -1.51 0.00 0.00 179.97 178.45 3n59 h ASP 88 N 0.22 0.67 -0.08 -3.80 3.32 -0.87 -1.02 116.42 114.87 3n59 h ASP 88 Ca 0.10 -0.06 -0.22 0.00 0.02 0.00 0.00 57.03 56.87 3n59 h ASP 88 Cb 0.05 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.43 3n59 h ASP 88 CO -0.08 0.58 -0.77 0.00 -1.72 0.00 0.00 179.24 177.24 3n59 h ALA 89 N 1.53 0.36 0.00 3.45 0.00 -1.27 -3.16 119.26 120.17 3n59 h ALA 89 Ca 0.19 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3n59 h ALA 89 Cb 0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3n59 h ALA 89 CO -0.03 0.70 -0.07 0.00 0.00 0.00 0.00 179.25 179.85 3n59 n ALA 91 N -2.16 1.72 0.38 0.00 0.00 -0.43 -2.71 120.51 117.32 3n59 n ALA 91 Ca -0.01 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.64 3n59 n ALA 91 Cb 0.27 -1.41 0.22 0.00 0.00 0.00 0.00 19.45 18.53 3n59 n ALA 91 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3n59 h GLU 92 N 0.00 0.00 -6.38 0.00 5.08 -1.56 -3.46 114.58 108.26 3n59 h GLU 92 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 3n59 h GLU 92 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3n59 h GLU 92 CO 0.00 0.00 0.90 -0.51 -1.00 0.00 0.00 179.01 178.40 3n59 s LEU 93 N -5.29 4.33 -0.05 1.33 1.43 -1.10 -4.87 118.68 114.45 3n59 s LEU 93 Ca 0.07 2.21 0.12 0.00 -1.03 0.00 0.00 54.13 55.50 3n59 s LEU 93 Cb 0.09 -3.56 -0.23 0.00 0.03 0.00 0.00 46.19 42.52 3n59 s LEU 93 CO 0.67 -0.78 0.65 -1.54 0.23 0.00 0.00 176.35 175.58 3n59 n SER 94 N 5.56 0.93 -4.86 2.29 3.41 -1.26 -4.90 113.62 114.79 3n59 n SER 94 Ca 0.14 0.41 -0.31 0.00 -0.26 0.00 0.00 58.87 58.85 3n59 n SER 94 Cb 0.43 -0.10 0.01 0.00 -0.26 0.00 0.00 64.21 64.29 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 -2.60 3.03 0.54 7.33 0.00 -1.26 -5.01 121.76 123.79 3n59 s ALA 95 Ca -0.05 -0.02 -0.22 0.00 0.00 0.00 0.00 51.96 51.67 3n59 s ALA 95 Cb 0.08 -3.10 -0.06 0.00 0.00 0.00 0.00 23.12 20.04 3n59 s ALA 95 CO 0.82 -0.71 1.28 -2.30 0.00 0.00 0.00 175.76 174.86 3n59 n PRO 96 N -2.63 1.59 -4.08 0.00 -0.02 -1.26 -4.75 135.00 123.84 3n59 n PRO 96 Ca 0.06 0.58 -0.30 0.00 -2.02 0.00 0.00 63.50 61.83 3n59 n PRO 96 Cb 0.54 -2.48 -0.16 0.00 -0.02 0.00 0.00 33.50 31.38 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 -2.95 1.69 -0.19 2.45 2.96 -1.26 -1.78 118.68 119.61 3n59 s LEU 97 Ca 0.71 -0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 54.12 3n59 s LEU 97 Cb -0.43 -1.17 -0.01 0.00 0.50 0.00 0.00 46.19 45.08 3n59 s LEU 97 CO 0.50 -0.05 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.77 3n59 s ILE 98 N 1.42 3.17 -0.06 6.68 1.01 -0.07 0.00 121.20 133.35 3n59 s ILE 98 Ca 0.03 -0.58 -0.21 0.00 0.00 0.00 0.00 60.65 59.89 3n59 s ILE 98 Cb -0.13 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 3n59 s ILE 98 CO -0.10 0.47 0.61 -0.70 0.00 0.00 0.00 174.94 175.23 3n59 s GLU 99 N 1.07 4.38 -0.06 2.79 2.12 -0.25 -0.44 118.70 128.31 3n59 s GLU 99 Ca 0.00 0.73 0.04 0.00 0.36 0.00 0.00 54.97 56.10 3n59 s GLU 99 Cb -0.15 -3.41 0.00 0.00 0.26 0.00 0.00 34.13 30.83 3n59 s GLU 99 CO -0.01 0.18 -0.19 0.08 -0.54 0.00 0.00 175.26 174.78 3n59 s VAL 100 N 0.45 1.60 -0.10 3.70 1.01 -0.32 -0.25 120.40 126.49 3n59 s VAL 100 Ca 0.33 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.54 3n59 s VAL 100 Cb -0.17 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.83 3n59 s VAL 100 CO 0.16 0.46 -0.15 -1.00 0.00 0.00 0.00 175.10 174.57 3n59 s HIS 101 N 0.23 1.90 0.01 5.22 3.76 0.45 -4.28 115.29 122.57 3n59 s HIS 101 Ca -0.10 -0.86 -0.25 0.00 -0.15 0.00 0.00 55.06 53.70 3n59 s HIS 101 Cb -0.14 -1.37 -0.17 0.00 1.11 0.00 0.00 32.58 32.00 3n59 s HIS 101 CO 0.04 -0.44 1.29 0.82 -0.85 0.00 0.00 174.74 175.61 3n59 h ILE 102 N 5.95 0.91 -3.75 0.60 2.04 -1.86 -0.78 117.51 120.62 3n59 h ILE 102 Ca -0.30 -0.68 -0.49 0.00 1.00 0.00 0.00 64.86 64.39 3n59 h ILE 102 Cb 1.18 1.30 0.05 0.00 -0.74 0.00 0.00 36.82 38.61 3n59 h ILE 102 CO 0.48 0.15 0.19 -0.94 0.00 0.00 0.00 178.15 178.03 3n59 s SER 103 N -5.25 5.99 -0.54 1.72 1.04 -1.26 -1.79 113.70 113.61 3n59 s SER 103 Ca -0.14 0.93 -0.28 0.00 0.48 0.00 0.00 55.95 56.94 3n59 s SER 103 Cb 0.02 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 64.07 3n59 s SER 103 CO 0.59 -0.82 1.56 0.21 0.98 0.00 0.00 173.24 175.76 3n59 s ASN 104 N -4.20 5.92 0.43 7.02 3.84 -1.26 -2.58 114.94 124.11 3n59 s ASN 104 Ca 0.51 0.42 0.29 0.00 0.21 0.00 0.00 52.86 54.29 3n59 s ASN 104 Cb -0.10 -2.54 1.10 0.00 -0.55 0.00 0.00 41.25 39.15 3n59 s ASN 104 CO 0.47 -1.85 1.85 1.62 -2.79 0.00 0.00 177.10 176.39 3n59 h VAL 105 N 6.53 0.00 -0.01 -5.21 3.04 -1.92 -2.60 116.25 116.09 3n59 h VAL 105 Ca -0.28 -0.49 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 3n59 h VAL 105 Cb 1.12 1.41 0.00 0.00 -2.01 0.00 0.00 31.29 31.81 3n59 h VAL 105 CO 1.17 0.00 -0.45 1.41 -1.01 0.00 0.00 177.57 178.69 3n59 n HIS 106 N -2.79 0.00 1.22 3.17 8.25 -1.26 -3.73 115.22 120.07 3n59 n HIS 106 Ca 0.02 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.60 3n59 n HIS 106 Cb 0.32 -0.12 0.31 0.00 1.12 0.00 0.00 29.99 31.62 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 -0.84 3.08 -2.37 -1.41 0.00 -0.98 -4.94 120.51 113.05 3n59 n ALA 107 Ca 0.09 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.06 3n59 n ALA 107 Cb 0.37 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.31 3.84 -1.70 0.00 1.74 -1.24 -5.09 116.66 113.89 3n59 n ARG 108 Ca 0.13 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.86 3n59 n ARG 108 Cb 0.39 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.89 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 3.53 2.56 0.33 5.56 8.01 -1.26 -4.94 118.70 132.49 3n59 s GLU 109 Ca 0.00 1.73 0.02 0.00 0.01 0.00 0.00 54.97 56.73 3n59 s GLU 109 Cb 0.00 -1.89 0.58 0.00 -4.31 0.00 0.00 34.13 28.52 3n59 s GLU 109 CO 0.00 -1.51 1.94 0.93 0.01 0.00 0.00 175.26 176.64 3n59 h GLU 110 N 0.21 0.76 0.00 1.61 4.39 -1.96 -2.62 114.58 116.97 3n59 h GLU 110 Ca -0.49 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.11 3n59 h GLU 110 Cb 1.29 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.79 3n59 h GLU 110 CO 0.52 0.59 -0.09 0.27 -1.16 0.00 0.00 179.01 179.14 3n59 h PHE 111 N 0.77 0.00 0.00 4.33 -5.15 -1.96 -1.88 116.94 113.05 3n59 h PHE 111 Ca 0.19 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.96 3n59 h PHE 111 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.24 3n59 h PHE 111 CO 0.01 0.09 0.00 0.54 -2.00 0.00 0.00 178.31 176.95 3n59 n ARG 112 N -3.39 0.07 0.00 6.09 1.74 -0.99 -3.38 116.66 116.80 3n59 n ARG 112 Ca -0.01 0.10 0.14 0.00 -0.77 0.00 0.00 57.85 57.31 3n59 n ARG 112 Cb 0.26 -1.50 0.56 0.00 -1.02 0.00 0.00 32.46 30.75 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 -1.45 1.35 -4.84 5.56 1.74 -0.70 -4.77 116.66 113.54 3n59 n ARG 113 Ca 0.07 -0.70 -0.33 0.00 -0.77 0.00 0.00 57.85 56.12 3n59 n ARG 113 Cb 0.25 -1.49 -0.13 0.00 -1.02 0.00 0.00 32.46 30.07 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 -2.14 2.75 -0.06 -1.55 2.46 -1.22 -5.06 115.29 110.48 3n59 s HIS 114 Ca 0.36 -0.27 0.02 0.00 0.47 0.00 0.00 55.06 55.63 3n59 s HIS 114 Cb 0.21 -1.69 0.02 0.00 -0.13 0.00 0.00 32.58 30.98 3n59 s HIS 114 CO 0.39 0.09 -0.10 0.45 -2.47 0.00 0.00 174.74 173.10 3n59 s SER 115 N -0.44 1.46 0.48 9.88 0.15 -1.26 -4.36 113.70 119.61 3n59 s SER 115 Ca 0.05 -0.24 0.28 0.00 0.70 0.00 0.00 55.95 56.74 3n59 s SER 115 Cb -0.12 -0.67 0.87 0.00 -1.71 0.00 0.00 66.02 64.39 3n59 s SER 115 CO 0.02 0.01 1.80 1.88 1.20 0.00 0.00 173.24 178.15 3n59 h TYR 116 N 6.99 0.00 0.19 3.44 0.05 -1.56 -3.33 116.97 122.76 3n59 h TYR 116 Ca -0.33 0.00 -0.35 0.00 0.05 0.00 0.00 58.73 58.10 3n59 h TYR 116 Cb 1.18 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.93 3n59 h TYR 116 CO 0.49 0.06 -1.71 -0.07 -1.05 0.00 0.00 178.16 175.88 3n59 h LEU 117 N 0.00 0.63 -0.64 3.88 3.38 -1.90 -3.40 115.31 117.27 3n59 h LEU 117 Ca -0.00 -0.91 0.13 0.00 0.09 0.00 0.00 57.88 57.20 3n59 h LEU 117 Cb 0.76 -0.21 -0.10 0.00 0.09 0.00 0.00 40.66 41.21 3n59 h LEU 117 CO 0.01 1.76 0.05 0.28 0.09 0.00 0.00 178.44 180.63 3n59 h SER 118 N 0.11 -0.19 -0.26 -0.43 0.02 -1.92 -1.98 113.55 108.90 3n59 h SER 118 Ca -0.33 0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 3n59 h SER 118 Cb 2.11 0.24 -0.02 0.00 0.14 0.00 0.00 62.40 64.87 3n59 h SER 118 CO 0.19 -0.09 0.13 -0.65 -1.14 0.00 0.00 176.83 175.27 3n59 h PRO 119 N 0.16 0.43 -0.01 3.45 0.11 -1.78 -2.92 132.00 131.43 3n59 h PRO 119 Ca 0.34 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.40 3n59 h PRO 119 Cb 0.55 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.57 3n59 h PRO 119 CO -0.51 0.35 -0.48 0.44 -0.21 0.00 0.00 178.00 177.59 3n59 n ILE 120 N -4.42 0.00 -2.77 4.15 -6.64 -0.92 -4.94 119.36 103.83 3n59 n ILE 120 Ca 0.01 -0.19 -0.30 0.00 -1.77 0.00 0.00 62.75 60.50 3n59 n ILE 120 Cb 0.13 0.99 -0.03 0.00 -1.44 0.00 0.00 39.64 39.29 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 -2.56 3.32 0.09 -1.28 0.00 -0.79 -4.91 121.76 115.63 3n59 s ALA 121 Ca 0.18 -0.20 -0.19 0.00 0.00 0.00 0.00 51.96 51.75 3n59 s ALA 121 Cb 0.18 -2.73 -0.08 0.00 0.00 0.00 0.00 23.12 20.48 3n59 s ALA 121 CO 0.60 -0.08 1.56 1.15 0.00 0.00 0.00 175.76 178.98 3n59 h THR 122 N 0.95 1.23 -3.32 0.00 2.02 -0.73 -3.47 112.91 109.58 3n59 h THR 122 Ca -0.47 -0.76 -0.02 0.00 0.77 0.00 0.00 66.41 65.93 3n59 h THR 122 Cb 1.19 1.27 -0.10 0.00 -1.74 0.00 0.00 68.15 68.77 3n59 h THR 122 CO 0.63 0.24 0.02 -0.83 0.37 0.00 0.00 175.52 175.95 3n59 s GLY 123 N -2.99 -0.07 -0.07 2.16 0.00 -1.16 -5.03 107.32 100.17 3n59 s GLY 123 Ca -0.14 -0.24 0.01 0.00 0.00 0.00 0.00 44.72 44.35 3n59 s GLY 123 CO 0.73 -0.28 -0.08 0.14 0.00 0.00 0.00 173.10 173.61 3n59 s VAL 124 N -3.88 0.86 -0.18 1.40 1.01 -1.26 -1.09 120.40 117.26 3n59 s VAL 124 Ca 0.09 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 3n59 s VAL 124 Cb -0.01 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 3n59 s VAL 124 CO -0.03 0.31 -0.06 -0.63 0.00 0.00 0.00 175.10 174.69 3n59 s ILE 125 N 1.01 3.51 -0.02 2.22 1.01 0.65 -4.97 121.20 124.62 3n59 s ILE 125 Ca -0.09 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.13 3n59 s ILE 125 Cb -0.14 -2.56 -0.01 0.00 0.01 0.00 0.00 42.46 39.76 3n59 s ILE 125 CO -0.00 0.46 -0.13 -0.69 0.00 0.00 0.00 174.94 174.59 3n59 s VAL 126 N 0.87 1.03 -0.34 2.92 1.01 -1.26 -0.41 120.40 124.21 3n59 s VAL 126 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.44 3n59 s VAL 126 Cb -0.15 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.36 3n59 s VAL 126 CO 0.01 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.02 3n59 n GLY 127 N 2.95 0.61 1.67 4.51 0.00 -0.30 -4.86 105.19 109.77 3n59 n GLY 127 Ca -0.16 -0.34 -0.02 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.37 5.41 0.00 0.99 4.77 -1.22 -4.60 117.00 121.97 3n59 n LEU 128 Ca -0.03 -3.25 0.00 0.00 -0.03 0.00 0.00 56.01 52.70 3n59 n LEU 128 Cb 0.19 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 3n59 n LEU 128 CO 0.05 0.84 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 3n59 n GLY 129 N -0.33 0.69 0.26 -0.72 0.00 -0.74 -3.24 105.19 101.11 3n59 n GLY 129 Ca 0.36 -0.74 0.13 0.00 0.00 0.00 0.00 46.02 45.77 3n59 n GLY 129 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3n59 h ILE 130 N 0.00 0.42 0.00 -0.61 -0.00 -1.93 -2.99 117.51 112.40 3n59 h ILE 130 Ca 0.00 -0.72 0.00 0.00 -0.00 0.00 0.00 64.86 64.14 3n59 h ILE 130 Cb 0.00 1.51 0.00 0.00 -0.00 0.00 0.00 36.82 38.33 3n59 h ILE 130 CO 0.00 0.13 0.00 -0.61 -0.00 0.00 0.00 178.15 177.67 3n59 h GLN 131 N 0.00 0.00 -0.73 0.16 4.15 -1.97 -2.86 115.11 113.85 3n59 h GLN 131 Ca -0.00 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.53 3n59 h GLN 131 Cb 0.50 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.14 3n59 h GLN 131 CO 0.02 0.00 0.49 0.78 -1.93 0.00 0.00 178.83 178.18 3n59 h GLY 132 N 1.61 0.84 0.98 2.39 0.00 -1.55 -0.34 103.07 107.00 3n59 h GLY 132 Ca 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 3n59 h GLY 132 CO 0.00 0.12 0.16 -0.97 0.00 0.00 0.00 176.54 175.85 3n59 h TYR 133 N 0.56 0.86 -0.10 5.60 -1.99 -1.75 -1.84 116.97 118.32 3n59 h TYR 133 Ca 0.35 -0.09 -0.21 0.00 2.00 0.00 0.00 58.73 60.77 3n59 h TYR 133 Cb 0.58 -0.25 0.00 0.00 2.00 0.00 0.00 36.73 39.07 3n59 h TYR 133 CO -0.00 0.74 -0.80 -0.07 -0.00 0.00 0.00 178.16 178.03 3n59 h LEU 134 N 0.74 0.72 -1.20 3.88 3.38 -1.51 -2.01 115.31 119.30 3n59 h LEU 134 Ca 0.17 -0.49 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 3n59 h LEU 134 Cb 0.29 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3n59 h LEU 134 CO -0.00 1.27 -0.08 -0.07 0.09 0.00 0.00 178.44 179.65 3n59 h LEU 135 N 0.40 0.43 -0.51 1.67 3.38 -1.08 -0.34 115.31 119.27 3n59 h LEU 135 Ca -0.05 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.71 3n59 h LEU 135 Cb 1.41 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 3n59 h LEU 135 CO 0.15 0.56 -0.13 0.00 0.09 0.00 0.00 178.44 179.11 3n59 h ALA 136 N 1.49 0.70 -0.53 1.53 0.00 -1.20 -2.31 119.26 118.94 3n59 h ALA 136 Ca 0.09 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3n59 h ALA 136 Cb 0.40 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3n59 h ALA 136 CO 0.02 0.63 0.27 -0.07 0.00 0.00 0.00 179.25 180.10 3n59 h LEU 137 N 0.85 0.68 -1.36 0.00 3.38 -0.88 -2.21 115.31 115.77 3n59 h LEU 137 Ca 0.13 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3n59 h LEU 137 Cb 0.70 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3n59 h LEU 137 CO 0.05 0.60 -0.18 -0.09 0.09 0.00 0.00 178.44 178.91 3n59 h ARG 138 N 0.71 0.21 -0.25 1.13 2.43 -1.00 0.21 114.38 117.83 3n59 h ARG 138 Ca 0.18 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 3n59 h ARG 138 Cb 0.09 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3n59 h ARG 138 CO -0.03 0.39 0.03 -0.92 -1.51 0.00 0.00 179.97 177.93 3n59 h TYR 139 N 0.19 0.45 0.00 2.20 3.20 -1.22 -3.19 116.97 118.60 3n59 h TYR 139 Ca 0.04 -0.07 -0.06 0.00 3.14 0.00 0.00 58.73 61.78 3n59 h TYR 139 Cb 0.44 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 3n59 h TYR 139 CO 0.01 0.55 -0.31 -0.07 -1.64 0.00 0.00 178.16 176.69 3n59 h LEU 140 N 0.22 0.00 -1.65 2.82 3.38 -0.74 -2.79 115.31 116.54 3n59 h LEU 140 Ca 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3n59 h LEU 140 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3n59 h LEU 140 CO 0.01 0.31 -0.19 0.00 0.09 0.00 0.00 178.44 178.65 3n59 h ALA 141 N 1.69 1.59 -0.53 1.53 0.00 -0.97 -3.09 119.26 119.49 3n59 h ALA 141 Ca -0.00 -0.17 -0.24 0.00 0.00 0.00 0.00 54.91 54.49 3n59 h ALA 141 Cb 0.69 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.31 3n59 h ALA 141 CO 0.04 0.24 0.13 0.39 0.00 0.00 0.00 179.25 180.05 3n59 n GLU 142 N -4.18 2.22 0.00 0.00 1.02 -1.05 -5.11 120.64 113.54 3n59 n GLU 142 Ca -0.02 -3.10 0.00 0.00 -0.02 0.00 0.00 57.16 54.02 3n59 n GLU 142 Cb 0.26 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 29.74 3n59 n GLU 142 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03