#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 4.99 -0.13 1.96 1.01 -1.26 -0.92 121.20 126.84 3n59 s ILE 4 Ca 0.00 1.19 0.02 0.00 0.00 0.00 0.00 60.65 61.86 3n59 s ILE 4 Cb 0.00 -3.91 0.01 0.00 0.01 0.00 0.00 42.46 38.57 3n59 s ILE 4 CO 0.00 0.39 -0.19 -0.69 0.00 0.00 0.00 174.94 174.45 3n59 s VAL 5 N 0.06 1.82 -0.29 2.92 1.01 -0.01 -4.12 120.40 121.79 3n59 s VAL 5 Ca 0.31 -0.83 -0.21 0.00 0.00 0.00 0.00 61.98 61.25 3n59 s VAL 5 Cb -0.17 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 3n59 s VAL 5 CO 0.16 0.50 0.64 0.20 0.00 0.00 0.00 175.10 176.60 3n59 s ASN 6 N 0.94 6.53 -0.38 3.32 0.01 -0.24 -1.38 114.94 123.74 3n59 s ASN 6 Ca -0.06 0.52 -0.12 0.00 -0.71 0.00 0.00 52.86 52.49 3n59 s ASN 6 Cb -0.15 -2.34 0.02 0.00 0.41 0.00 0.00 41.25 39.19 3n59 s ASN 6 CO -0.03 -0.46 0.24 -0.69 -1.51 0.00 0.00 177.10 174.65 3n59 s VAL 7 N 2.61 4.84 -0.21 1.60 1.01 0.00 0.45 120.40 130.70 3n59 s VAL 7 Ca 0.26 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 3n59 s VAL 7 Cb -0.15 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.56 3n59 s VAL 7 CO 0.11 -0.23 -0.11 -0.63 0.00 0.00 0.00 175.10 174.24 3n59 s ILE 8 N 1.61 2.80 -0.13 2.22 1.01 0.31 -1.01 121.20 128.01 3n59 s ILE 8 Ca 0.03 -0.74 -0.03 0.00 0.00 0.00 0.00 60.65 59.91 3n59 s ILE 8 Cb -0.19 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 3n59 s ILE 8 CO 0.08 0.43 -0.03 0.20 0.00 0.00 0.00 174.94 175.63 3n59 s ASN 9 N 1.38 4.94 0.03 3.58 0.01 0.33 -1.30 114.94 123.91 3n59 s ASN 9 Ca 0.05 -0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.16 3n59 s ASN 9 Cb -0.14 -1.63 0.00 0.00 0.41 0.00 0.00 41.25 39.89 3n59 s ASN 9 CO -0.07 0.25 0.00 0.61 -1.51 0.00 0.00 177.10 176.38 3n59 n GLY 10 N 3.01 0.93 3.59 0.66 0.00 0.16 -1.89 105.19 111.67 3n59 n GLY 10 Ca -0.18 -1.90 -0.44 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.08 1.38 -0.65 1.61 -0.02 -1.07 -2.73 135.00 133.44 3n59 n PRO 11 Ca 0.00 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3n59 n PRO 11 Cb 0.00 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 -0.02 2.55 3.02 -1.26 -4.52 115.26 116.12 3n59 n ASN 12 Ca 0.09 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.77 3n59 n ASN 12 Cb 0.34 -0.89 0.31 0.00 -0.61 0.00 0.00 39.78 38.93 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 0.22 3.41 4.77 -1.11 -2.74 117.00 122.04 3n59 n LEU 13 Ca 0.00 0.03 0.14 0.00 -0.03 0.00 0.00 56.01 56.15 3n59 n LEU 13 Cb 0.00 -0.26 0.43 0.00 -2.33 0.00 0.00 43.42 41.25 3n59 n LEU 13 CO 0.00 0.12 0.89 1.23 -1.33 0.00 0.00 177.39 178.30 3n59 h GLY 14 N 4.99 0.00 -1.89 -0.72 0.00 -1.88 -3.20 103.07 100.37 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 -2.89 2.48 -1.78 4.80 5.12 -1.11 -4.56 116.66 118.73 3n59 n ARG 15 Ca 0.03 -1.53 -0.41 0.00 -1.93 0.00 0.00 57.85 54.01 3n59 n ARG 15 Cb 0.40 -1.61 0.01 0.00 -1.16 0.00 0.00 32.46 30.10 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 -1.23 4.25 0.00 0.55 1.43 -1.21 -2.81 118.68 119.67 3n59 s LEU 16 Ca 0.27 3.04 0.00 0.00 -1.03 0.00 0.00 54.13 56.41 3n59 s LEU 16 Cb 0.18 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.65 3n59 s LEU 16 CO 0.13 -0.98 0.00 0.61 0.23 0.00 0.00 176.35 176.34 3n59 n GLY 17 N 0.47 1.02 3.75 -3.19 0.00 -1.02 -3.92 105.19 102.31 3n59 n GLY 17 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 3n59 n GLY 17 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3n59 s ARG 18 N -0.75 1.46 0.00 1.61 3.03 -1.12 -4.82 118.95 118.35 3n59 s ARG 18 Ca 0.00 -0.77 0.00 0.00 2.03 0.00 0.00 55.73 56.99 3n59 s ARG 18 Cb 0.00 0.52 0.00 0.00 -1.03 0.00 0.00 34.95 34.44 3n59 s ARG 18 CO 0.00 -0.66 0.00 2.89 -1.13 0.00 0.00 175.30 176.40 3n59 n ARG 19 N -0.44 0.00 0.00 3.89 1.85 -1.26 -5.02 116.66 115.68 3n59 n ARG 19 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.78 3n59 n ARG 19 Cb 0.60 -1.43 0.00 0.00 -1.05 0.00 0.00 32.46 30.58 3n59 n ARG 19 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 3n59 n GLU 20 N -1.95 0.00 0.00 2.89 0.28 -1.26 -5.22 120.64 115.38 3n59 n GLU 20 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3n59 n GLU 20 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 3n59 n GLU 20 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3n59 n GLY 25 N 0.00 0.94 2.24 -1.84 0.00 -1.26 -5.14 105.19 100.13 3n59 n GLY 25 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 3.17 6.21 3.59 -0.02 0.00 -1.26 -4.41 105.19 112.47 3n59 n GLY 26 Ca 0.00 -2.70 -0.41 0.00 0.00 0.00 0.00 46.02 42.91 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 -5.02 4.99 0.74 2.61 2.01 -1.26 -4.71 115.64 115.00 3n59 s THR 27 Ca 0.50 0.71 -0.11 0.00 0.31 0.00 0.00 61.69 63.09 3n59 s THR 27 Cb 0.41 -3.94 0.04 0.00 0.01 0.00 0.00 72.50 69.01 3n59 s THR 27 CO -0.07 -0.11 1.09 0.42 -0.69 0.00 0.00 174.62 175.26 3n59 s THR 28 N 2.47 3.47 0.29 -0.82 -4.23 -1.26 -2.42 115.64 113.15 3n59 s THR 28 Ca 0.22 0.48 0.02 0.00 -1.18 0.00 0.00 61.69 61.23 3n59 s THR 28 Cb -0.15 -3.30 0.10 0.00 1.34 0.00 0.00 72.50 70.49 3n59 s THR 28 CO 0.12 -0.62 1.77 -0.74 -0.54 0.00 0.00 174.62 174.61 3n59 h HIS 29 N -0.86 0.59 -0.83 3.99 2.76 -1.80 -1.13 115.15 117.87 3n59 h HIS 29 Ca -0.46 -0.10 -0.02 0.00 -2.20 0.00 0.00 60.37 57.59 3n59 h HIS 29 Cb 1.25 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 30.01 3n59 h HIS 29 CO 0.52 0.66 0.42 -0.44 -1.30 0.00 0.00 177.93 177.79 3n59 h ASP 30 N 0.50 1.06 0.25 3.26 3.32 -1.93 0.31 116.42 123.20 3n59 h ASP 30 Ca 0.09 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 56.93 3n59 h ASP 30 Cb 0.53 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3n59 h ASP 30 CO 0.03 0.88 -0.39 -0.33 -1.72 0.00 0.00 179.24 177.71 3n59 h GLU 31 N 1.18 0.19 -0.27 3.56 5.08 -1.82 -1.91 114.58 120.59 3n59 h GLU 31 Ca 0.29 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.47 3n59 h GLU 31 Cb 0.08 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3n59 h GLU 31 CO -0.04 0.56 -0.18 1.25 -1.00 0.00 0.00 179.01 179.60 3n59 h LEU 32 N 0.16 0.62 -0.14 1.33 5.85 -0.56 -1.85 115.31 120.72 3n59 h LEU 32 Ca 0.02 -0.43 0.01 0.00 0.84 0.00 0.00 57.88 58.31 3n59 h LEU 32 Cb 0.77 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 3n59 h LEU 32 CO 0.06 0.92 0.06 0.58 -0.34 0.00 0.00 178.44 179.72 3n59 h VAL 33 N 0.32 0.98 -0.65 1.05 2.07 -0.87 -1.79 116.25 117.37 3n59 h VAL 33 Ca 0.05 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.54 3n59 h VAL 33 Cb 0.71 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 3n59 h VAL 33 CO 0.05 0.02 0.42 0.00 0.02 0.00 0.00 177.57 178.09 3n59 h ALA 34 N 1.08 0.83 -0.17 1.67 0.00 -1.33 -1.62 119.26 119.71 3n59 h ALA 34 Ca 0.06 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 3n59 h ALA 34 Cb 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3n59 h ALA 34 CO -0.05 0.23 -0.58 -0.07 0.00 0.00 0.00 179.25 178.78 3n59 h LEU 35 N 0.86 0.61 -0.42 0.00 3.38 -1.25 -2.20 115.31 116.28 3n59 h LEU 35 Ca 0.24 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 3n59 h LEU 35 Cb -0.07 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3n59 h LEU 35 CO -0.06 1.05 -0.06 0.40 0.09 0.00 0.00 178.44 179.86 3n59 h ILE 36 N 0.41 1.27 -0.33 1.22 2.04 -1.16 -1.74 117.51 119.22 3n59 h ILE 36 Ca 0.00 -1.13 -0.07 0.00 1.00 0.00 0.00 64.86 64.66 3n59 h ILE 36 Cb 1.12 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 3n59 h ILE 36 CO 0.11 0.38 -0.10 -0.33 0.00 0.00 0.00 178.15 178.21 3n59 h GLU 37 N 0.60 0.56 -0.38 2.37 5.08 -1.26 0.21 114.58 121.76 3n59 h GLU 37 Ca 0.11 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 3n59 h GLU 37 Cb 0.57 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3n59 h GLU 37 CO 0.03 0.66 -0.08 0.00 -1.00 0.00 0.00 179.01 178.62 3n59 h ARG 38 N 0.52 0.73 -0.43 2.33 3.08 -1.34 -2.23 114.38 117.04 3n59 h ARG 38 Ca 0.10 -0.27 -0.13 0.00 0.07 0.00 0.00 59.98 59.74 3n59 h ARG 38 Cb 0.48 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 3n59 h ARG 38 CO 0.03 0.86 -0.26 1.49 -1.07 0.00 0.00 179.97 181.02 3n59 h GLU 39 N 0.53 0.90 -0.53 0.04 4.57 -0.97 -2.54 114.58 116.58 3n59 h GLU 39 Ca 0.10 -0.40 -0.04 0.00 -1.18 0.00 0.00 59.36 57.84 3n59 h GLU 39 Cb 0.58 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 3n59 h GLU 39 CO 0.03 1.05 0.19 0.00 -1.18 0.00 0.00 179.01 179.10 3n59 h ALA 40 N 0.93 0.70 -0.84 2.92 0.00 -0.60 -2.30 119.26 120.07 3n59 h ALA 40 Ca 0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3n59 h ALA 40 Cb 0.82 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 3n59 h ALA 40 CO 0.07 0.33 0.41 0.00 0.00 0.00 0.00 179.25 180.06 3n59 h ALA 41 N 1.04 1.14 -0.11 0.00 0.00 -1.34 0.34 119.26 120.33 3n59 h ALA 41 Ca 0.17 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3n59 h ALA 41 Cb 0.24 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3n59 h ALA 41 CO -0.01 0.66 -0.28 0.93 0.00 0.00 0.00 179.25 180.55 3n59 h GLU 42 N 1.19 0.21 -0.00 0.00 5.08 -1.29 -2.92 114.58 116.84 3n59 h GLU 42 Ca 0.29 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3n59 h GLU 42 Cb 0.11 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3n59 h GLU 42 CO -0.04 0.48 -0.32 1.28 -1.00 0.00 0.00 179.01 179.41 3n59 n LEU 43 N -4.15 0.66 -0.35 1.33 4.77 -0.88 -4.94 117.00 113.44 3n59 n LEU 43 Ca -0.01 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3n59 n LEU 43 Cb 0.37 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3n59 n LEU 43 CO 0.40 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 3n59 n GLY 44 N 1.41 0.90 3.37 -0.72 0.00 -0.67 -4.99 105.19 104.48 3n59 n GLY 44 Ca 0.09 -0.62 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.70 2.33 -0.23 0.99 1.43 0.11 -4.52 118.68 118.09 3n59 s LEU 45 Ca 0.00 -1.20 0.01 0.00 -1.03 0.00 0.00 54.13 51.91 3n59 s LEU 45 Cb 0.00 -0.43 0.04 0.00 0.03 0.00 0.00 46.19 45.83 3n59 s LEU 45 CO 0.00 -0.43 -0.12 -0.75 0.23 0.00 0.00 176.35 175.28 3n59 s LYS 46 N -3.80 2.67 -0.21 1.70 2.20 -0.10 -3.51 119.74 118.69 3n59 s LYS 46 Ca 0.28 -1.06 -0.15 0.00 -0.36 0.00 0.00 55.97 54.68 3n59 s LYS 46 Cb 0.05 -2.82 -0.04 0.00 -1.51 0.00 0.00 37.83 33.50 3n59 s LYS 46 CO 0.10 -0.40 0.34 0.00 -0.36 0.00 0.00 175.35 175.03 3n59 s ALA 47 N 1.23 3.57 -0.44 3.13 0.00 -1.26 -0.83 121.76 127.17 3n59 s ALA 47 Ca -0.02 -0.60 -0.13 0.00 0.00 0.00 0.00 51.96 51.22 3n59 s ALA 47 Cb -0.17 -2.55 0.07 0.00 0.00 0.00 0.00 23.12 20.47 3n59 s ALA 47 CO -0.07 -0.25 0.32 0.08 0.00 0.00 0.00 175.76 175.83 3n59 s VAL 48 N 1.21 4.80 -0.23 0.00 1.01 -0.48 -4.88 120.40 121.84 3n59 s VAL 48 Ca 0.16 -1.14 -0.08 0.00 0.00 0.00 0.00 61.98 60.93 3n59 s VAL 48 Cb -0.14 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 3n59 s VAL 48 CO 0.07 -0.50 0.09 -0.69 0.00 0.00 0.00 175.10 174.07 3n59 s VAL 49 N 1.56 4.68 0.01 2.92 1.01 -1.26 -0.82 120.40 128.50 3n59 s VAL 49 Ca 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 3n59 s VAL 49 Cb -0.23 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 3n59 s VAL 49 CO 0.05 0.37 -0.00 -0.13 0.00 0.00 0.00 175.10 175.40 3n59 s ARG 50 N 1.11 0.26 -0.01 2.72 0.52 -0.18 -5.00 118.95 118.37 3n59 s ARG 50 Ca 0.05 -0.44 0.03 0.00 -0.52 0.00 0.00 55.73 54.84 3n59 s ARG 50 Cb -0.14 0.10 -0.01 0.00 0.52 0.00 0.00 34.95 35.42 3n59 s ARG 50 CO 0.04 -0.05 -0.09 -1.14 0.02 0.00 0.00 175.30 174.08 3n59 s GLN 51 N -1.12 0.71 -0.11 3.54 -0.44 -1.26 -0.51 119.66 120.48 3n59 s GLN 51 Ca -0.12 -0.31 -0.17 0.00 -2.50 0.00 0.00 55.36 52.26 3n59 s GLN 51 Cb -0.08 -0.69 0.04 0.00 -1.64 0.00 0.00 33.01 30.65 3n59 s GLN 51 CO -0.01 0.18 0.44 0.45 0.50 0.00 0.00 175.29 176.85 3n59 s SER 52 N -0.17 -0.41 0.00 6.67 0.15 -0.79 -4.99 113.70 114.16 3n59 s SER 52 Ca 0.03 0.64 0.27 0.00 0.70 0.00 0.00 55.95 57.59 3n59 s SER 52 Cb -0.04 0.69 0.96 0.00 -1.71 0.00 0.00 66.02 65.93 3n59 s SER 52 CO -0.00 -0.30 1.70 0.47 1.20 0.00 0.00 173.24 176.30 3n59 n ASP 53 N 2.13 0.78 -4.69 5.45 8.00 -1.26 -2.59 116.55 124.37 3n59 n ASP 53 Ca -0.16 -0.75 -0.37 0.00 0.71 0.00 0.00 54.79 54.22 3n59 n ASP 53 Cb 0.57 0.04 -0.08 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 -2.49 6.33 0.15 -2.24 0.15 -1.26 -4.71 113.70 109.63 3n59 s SER 54 Ca 0.26 0.38 -0.13 0.00 0.70 0.00 0.00 55.95 57.17 3n59 s SER 54 Cb 0.20 -2.17 0.02 0.00 -1.71 0.00 0.00 66.02 62.36 3n59 s SER 54 CO 0.50 0.03 1.63 -0.08 1.20 0.00 0.00 173.24 176.52 3n59 h GLU 55 N 7.17 0.83 -0.88 5.44 4.81 -2.00 -2.71 114.58 127.24 3n59 h GLU 55 Ca -0.38 -0.23 0.03 0.00 -0.13 0.00 0.00 59.36 58.66 3n59 h GLU 55 Cb 1.16 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.40 3n59 h GLU 55 CO 0.71 0.83 0.58 0.00 -0.73 0.00 0.00 179.01 180.40 3n59 h ALA 56 N 0.97 1.45 -0.43 2.92 0.00 -1.99 0.16 119.26 122.34 3n59 h ALA 56 Ca 0.15 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3n59 h ALA 56 Cb 0.41 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3n59 h ALA 56 CO 0.01 0.47 -0.16 0.37 0.00 0.00 0.00 179.25 179.93 3n59 h GLN 57 N 1.10 0.87 -0.63 0.00 5.75 -1.95 -1.03 115.11 119.21 3n59 h GLN 57 Ca 0.35 -0.36 -0.08 0.00 -0.15 0.00 0.00 58.65 58.41 3n59 h GLN 57 Cb 0.02 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 3n59 h GLN 57 CO -0.10 1.00 0.10 -0.07 -2.65 0.00 0.00 178.83 177.10 3n59 h LEU 58 N 0.69 1.00 -0.49 -2.39 3.38 -1.13 -0.91 115.31 115.47 3n59 h LEU 58 Ca 0.10 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.84 3n59 h LEU 58 Cb 0.72 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 3n59 h LEU 58 CO 0.05 1.01 0.26 -0.07 0.09 0.00 0.00 178.44 179.78 3n59 h LEU 59 N 0.95 0.39 -0.40 1.67 4.07 -0.83 -1.75 115.31 119.43 3n59 h LEU 59 Ca 0.19 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 58.14 3n59 h LEU 59 Cb 0.44 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.10 3n59 h LEU 59 CO 0.01 0.27 0.14 -0.78 -1.08 0.00 0.00 178.44 177.01 3n59 h ASP 60 N 0.51 0.56 -0.65 -0.43 3.58 -0.92 -0.85 116.42 118.22 3n59 h ASP 60 Ca 0.21 -0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 3n59 h ASP 60 Cb 0.09 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 3n59 h ASP 60 CO -0.13 0.59 0.41 -0.50 -2.88 0.00 0.00 179.24 176.73 3n59 h TRP 61 N 0.49 0.86 -0.17 0.28 6.55 -1.01 -1.08 115.95 121.87 3n59 h TRP 61 Ca 0.13 0.01 -0.19 0.00 0.95 0.00 0.00 58.89 59.79 3n59 h TRP 61 Cb 0.22 -0.28 -0.00 0.00 -0.86 0.00 0.00 29.16 28.24 3n59 h TRP 61 CO 0.00 0.57 -0.64 0.82 -1.05 0.00 0.00 178.44 178.14 3n59 h ILE 62 N 0.91 1.31 -0.42 1.49 2.04 -1.09 -1.91 117.51 119.84 3n59 h ILE 62 Ca 0.24 -1.90 0.04 0.00 1.00 0.00 0.00 64.86 64.24 3n59 h ILE 62 Cb -0.05 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 3n59 h ILE 62 CO -0.05 0.59 0.19 0.45 0.00 0.00 0.00 178.15 179.34 3n59 h HIS 63 N 0.47 0.35 -0.80 1.37 3.86 -0.79 -0.27 115.15 119.35 3n59 h HIS 63 Ca -0.01 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.26 3n59 h HIS 63 Cb 1.22 -0.10 -0.05 0.00 1.06 0.00 0.00 27.41 29.54 3n59 h HIS 63 CO 0.06 0.17 0.50 1.96 0.86 0.00 0.00 177.93 181.48 3n59 h GLN 64 N 0.39 0.93 0.00 2.45 4.20 -1.08 0.28 115.11 122.28 3n59 h GLN 64 Ca 0.19 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.75 3n59 h GLN 64 Cb 0.12 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3n59 h GLN 64 CO -0.15 0.61 -0.46 0.00 -0.67 0.00 0.00 178.83 178.17 3n59 h ALA 65 N 1.35 1.09 0.04 3.87 0.00 -0.93 -0.03 119.26 124.65 3n59 h ALA 65 Ca 0.33 -0.42 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 3n59 h ALA 65 Cb 0.06 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.80 3n59 h ALA 65 CO -0.13 0.57 -0.73 0.00 0.00 0.00 0.00 179.25 178.96 3n59 h ALA 66 N 1.54 0.03 -0.60 0.00 0.00 -0.54 0.13 119.26 119.83 3n59 h ALA 66 Ca -0.00 -0.62 0.02 0.00 0.00 0.00 0.00 54.91 54.30 3n59 h ALA 66 Cb 0.89 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3n59 h ALA 66 CO 0.06 0.41 0.40 0.22 0.00 0.00 0.00 179.25 180.33 3n59 h ASP 67 N -0.09 0.65 -0.03 0.00 -0.00 -0.30 -2.41 116.42 114.23 3n59 h ASP 67 Ca -0.10 -0.01 0.00 0.00 -0.00 0.00 0.00 57.03 56.91 3n59 h ASP 67 Cb 1.46 -0.16 0.00 0.00 -0.00 0.00 0.00 39.33 40.64 3n59 h ASP 67 CO 0.14 0.46 0.00 0.00 -0.00 0.00 0.00 179.24 179.84 3n59 n ALA 68 N -2.45 2.47 -3.75 -0.78 0.00 -0.04 -4.99 120.51 110.97 3n59 n ALA 68 Ca 0.07 -0.66 -0.25 0.00 0.00 0.00 0.00 53.44 52.59 3n59 n ALA 68 Cb 0.09 -0.85 0.02 0.00 0.00 0.00 0.00 19.45 18.71 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 1.21 -2.19 -2.51 0.00 0.00 -0.61 -5.00 120.51 111.42 3n59 n ALA 69 Ca 0.15 -0.20 -0.32 0.00 0.00 0.00 0.00 53.44 53.06 3n59 n ALA 69 Cb 0.57 -2.60 -0.12 0.00 0.00 0.00 0.00 19.45 17.29 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 -6.07 2.41 0.53 0.00 2.02 0.35 -4.70 118.70 113.23 3n59 s GLU 70 Ca 0.16 -0.78 -0.22 0.00 0.02 0.00 0.00 54.97 54.15 3n59 s GLU 70 Cb -0.05 -2.37 -0.06 0.00 0.10 0.00 0.00 34.13 31.76 3n59 s GLU 70 CO 0.85 0.60 1.30 -2.30 0.02 0.00 0.00 175.26 175.73 3n59 n PRO 71 N 1.90 1.66 -4.42 0.39 -0.02 -1.26 -4.70 135.00 128.55 3n59 n PRO 71 Ca -0.16 0.61 -0.28 0.00 -2.02 0.00 0.00 63.50 61.64 3n59 n PRO 71 Cb 0.52 -2.50 -0.17 0.00 -0.02 0.00 0.00 33.50 31.34 3n59 n PRO 71 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3n59 s VAL 72 N -1.29 1.44 -0.33 -1.45 1.01 -0.63 -1.08 120.40 118.06 3n59 s VAL 72 Ca 0.70 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 3n59 s VAL 72 Cb -0.43 -1.32 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 3n59 s VAL 72 CO 0.51 0.43 0.18 -0.63 0.00 0.00 0.00 175.10 175.59 3n59 s ILE 73 N 1.02 4.79 -0.13 2.22 1.01 0.17 -0.73 121.20 129.54 3n59 s ILE 73 Ca -0.06 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.19 3n59 s ILE 73 Cb -0.15 -3.47 0.01 0.00 0.01 0.00 0.00 42.46 38.87 3n59 s ILE 73 CO -0.02 0.01 -0.18 -0.22 0.00 0.00 0.00 174.94 174.53 3n59 s LEU 74 N 1.64 1.92 -0.35 2.97 2.96 0.28 -0.53 118.68 127.57 3n59 s LEU 74 Ca 0.05 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 3n59 s LEU 74 Cb -0.17 -1.29 0.09 0.00 0.50 0.00 0.00 46.19 45.32 3n59 s LEU 74 CO 0.07 0.03 0.07 0.21 -1.32 0.00 0.00 176.35 175.42 3n59 s ASN 75 N 1.02 4.89 0.00 3.68 3.84 -0.42 -0.67 114.94 127.28 3n59 s ASN 75 Ca -0.04 -1.95 0.28 0.00 0.21 0.00 0.00 52.86 51.36 3n59 s ASN 75 Cb -0.15 -1.69 1.16 0.00 -0.55 0.00 0.00 41.25 40.03 3n59 s ASN 75 CO -0.04 -0.39 1.82 0.00 -2.79 0.00 0.00 177.10 175.69 3n59 n ALA 76 N 4.41 2.80 -0.88 1.71 0.00 -1.26 0.41 120.51 127.69 3n59 n ALA 76 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3n59 n ALA 76 Cb 0.42 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 1.29 2.87 0.30 0.00 0.00 -1.26 -2.58 105.19 105.82 3n59 n GLY 77 Ca 0.14 -0.35 0.17 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.30 103.07 100.79 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 -3.59 0.37 -0.20 3.11 4.77 -1.06 -2.88 117.00 117.51 3n59 n LEU 79 Ca -0.03 0.59 -0.03 0.00 -0.03 0.00 0.00 56.01 56.51 3n59 n LEU 79 Cb 0.10 -0.53 0.07 0.00 -2.33 0.00 0.00 43.42 40.74 3n59 n LEU 79 CO 0.26 -0.39 1.07 0.74 -1.33 0.00 0.00 177.39 177.74 3n59 h THR 80 N 0.00 0.99 -0.01 -5.08 2.02 -1.56 -1.64 112.91 107.62 3n59 h THR 80 Ca 0.00 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.96 3n59 h THR 80 Cb 0.34 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 3n59 h THR 80 CO 0.00 0.12 -0.22 1.41 0.37 0.00 0.00 175.52 177.19 3n59 n HIS 81 N -4.81 0.00 0.00 3.16 8.25 -1.14 -1.82 115.22 118.86 3n59 n HIS 81 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 3n59 n HIS 81 Cb 0.14 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.18 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 -0.22 0.00 -3.06 1.59 -2.24 -1.14 -4.80 114.28 104.42 3n59 n THR 82 Ca 0.13 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.48 3n59 n THR 82 Cb 0.39 -0.49 -0.06 0.00 -2.10 0.00 0.00 70.33 68.07 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 -3.23 6.30 0.15 3.42 0.15 -0.63 -4.89 113.70 114.96 3n59 s SER 83 Ca 0.00 -0.54 -0.07 0.00 0.70 0.00 0.00 55.95 56.04 3n59 s SER 83 Cb 0.00 -2.34 -0.02 0.00 -1.71 0.00 0.00 66.02 61.95 3n59 s SER 83 CO 0.00 -0.93 1.40 0.58 1.20 0.00 0.00 173.24 175.49 3n59 h VAL 84 N 5.91 1.32 -0.30 4.45 2.07 -1.96 -3.11 116.25 124.63 3n59 h VAL 84 Ca -0.26 -1.99 0.06 0.00 0.82 0.00 0.00 66.70 65.34 3n59 h VAL 84 Cb 1.09 1.96 -0.06 0.00 -1.52 0.00 0.00 31.29 32.76 3n59 h VAL 84 CO 0.97 0.62 -0.11 0.00 0.02 0.00 0.00 177.57 179.06 3n59 h ALA 85 N 0.78 0.15 -0.94 1.67 0.00 -1.98 0.61 119.26 119.55 3n59 h ALA 85 Ca -0.03 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3n59 h ALA 85 Cb 1.30 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 19.32 3n59 h ALA 85 CO 0.13 -0.50 0.61 1.25 0.00 0.00 0.00 179.25 180.75 3n59 h LEU 86 N -0.05 1.03 -0.30 0.00 5.85 -1.95 -0.51 115.31 119.39 3n59 h LEU 86 Ca 0.15 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3n59 h LEU 86 Cb 0.28 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3n59 h LEU 86 CO -0.34 0.72 0.19 -0.09 -0.34 0.00 0.00 178.44 178.58 3n59 h ARG 87 N 1.21 0.39 -0.76 1.25 2.43 -1.28 -0.80 114.38 116.82 3n59 h ARG 87 Ca 0.37 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.49 3n59 h ARG 87 Cb -0.04 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 3n59 h ARG 87 CO -0.11 0.28 0.41 -0.44 -1.51 0.00 0.00 179.97 178.59 3n59 h ASP 88 N 0.39 0.96 -0.42 -3.80 3.32 -0.36 -0.43 116.42 116.08 3n59 h ASP 88 Ca 0.11 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3n59 h ASP 88 Cb -0.03 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 3n59 h ASP 88 CO -0.02 0.79 0.27 0.00 -1.72 0.00 0.00 179.24 178.55 3n59 h ALA 89 N 1.21 0.53 0.00 3.45 0.00 -0.94 -2.89 119.26 120.62 3n59 h ALA 89 Ca 0.27 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3n59 h ALA 89 Cb 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3n59 h ALA 89 CO -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 179.25 178.91 3n59 h ALA 91 N 1.70 1.13 0.00 0.00 0.00 -0.87 -2.29 119.26 118.94 3n59 h ALA 91 Ca -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3n59 h ALA 91 Cb 0.55 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3n59 h ALA 91 CO 0.04 0.06 -0.04 1.49 0.00 0.00 0.00 179.25 180.80 3n59 h GLU 92 N 0.00 0.00 -6.62 0.00 4.81 -1.49 -3.45 114.58 107.82 3n59 h GLU 92 Ca -0.00 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.71 3n59 h GLU 92 Cb 0.28 0.00 0.05 0.00 0.63 0.00 0.00 28.75 29.70 3n59 h GLU 92 CO 0.01 0.04 0.88 -0.51 -0.73 0.00 0.00 179.01 178.70 3n59 s LEU 93 N -6.25 4.37 -0.07 1.64 1.43 -0.86 -4.92 118.68 114.02 3n59 s LEU 93 Ca 0.04 2.65 0.19 0.00 -1.03 0.00 0.00 54.13 55.98 3n59 s LEU 93 Cb 0.07 -3.60 -0.25 0.00 0.03 0.00 0.00 46.19 42.44 3n59 s LEU 93 CO 0.63 -0.83 0.42 -1.54 0.23 0.00 0.00 176.35 175.26 3n59 n SER 94 N 3.81 0.24 -4.89 2.29 3.41 -1.26 -4.95 113.62 112.26 3n59 n SER 94 Ca 0.13 0.10 -0.29 0.00 -0.26 0.00 0.00 58.87 58.56 3n59 n SER 94 Cb 0.38 1.11 -0.00 0.00 -0.26 0.00 0.00 64.21 65.44 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 -2.96 3.32 0.65 7.33 0.00 -1.26 -5.03 121.76 123.81 3n59 s ALA 95 Ca -0.07 -0.36 -0.17 0.00 0.00 0.00 0.00 51.96 51.36 3n59 s ALA 95 Cb 0.09 -2.73 -0.03 0.00 0.00 0.00 0.00 23.12 20.46 3n59 s ALA 95 CO 0.85 -0.38 0.90 -2.30 0.00 0.00 0.00 175.76 174.83 3n59 n PRO 96 N -2.23 0.68 -3.90 0.00 -0.02 -1.26 -4.76 135.00 123.50 3n59 n PRO 96 Ca 0.02 0.28 -0.23 0.00 -2.02 0.00 0.00 63.50 61.55 3n59 n PRO 96 Cb 0.55 -2.14 -0.17 0.00 -0.02 0.00 0.00 33.50 31.72 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 -2.13 0.90 -0.18 2.45 2.96 -1.26 -1.61 118.68 119.80 3n59 s LEU 97 Ca 0.74 -0.14 -0.02 0.00 -0.22 0.00 0.00 54.13 54.49 3n59 s LEU 97 Cb -0.39 -0.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.77 3n59 s LEU 97 CO 0.49 -0.14 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.66 3n59 s ILE 98 N 1.64 3.21 -0.01 6.68 1.09 0.09 0.01 121.20 133.92 3n59 s ILE 98 Ca 0.01 -0.57 -0.22 0.00 -1.10 0.00 0.00 60.65 58.77 3n59 s ILE 98 Cb -0.13 -2.42 -0.05 0.00 -1.06 0.00 0.00 42.46 38.80 3n59 s ILE 98 CO -0.04 0.47 0.64 -0.70 -0.10 0.00 0.00 174.94 175.21 3n59 s GLU 99 N 1.01 4.37 -0.05 2.79 2.12 -0.55 -0.56 118.70 127.83 3n59 s GLU 99 Ca -0.00 0.81 0.04 0.00 0.36 0.00 0.00 54.97 56.17 3n59 s GLU 99 Cb -0.15 -3.37 0.00 0.00 0.26 0.00 0.00 34.13 30.88 3n59 s GLU 99 CO -0.01 0.29 -0.16 0.08 -0.54 0.00 0.00 175.26 174.92 3n59 s VAL 100 N 0.04 1.40 -0.07 3.70 1.01 0.16 -0.18 120.40 126.46 3n59 s VAL 100 Ca 0.33 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.66 3n59 s VAL 100 Cb -0.18 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 34.99 3n59 s VAL 100 CO 0.18 0.41 -0.15 -1.00 0.00 0.00 0.00 175.10 174.54 3n59 s HIS 101 N 0.20 1.66 -0.03 5.22 3.76 0.10 -4.30 115.29 121.89 3n59 s HIS 101 Ca -0.07 -0.60 -0.26 0.00 -0.15 0.00 0.00 55.06 53.98 3n59 s HIS 101 Cb -0.13 -1.17 -0.21 0.00 1.11 0.00 0.00 32.58 32.18 3n59 s HIS 101 CO 0.03 -0.27 1.22 0.82 -0.85 0.00 0.00 174.74 175.69 3n59 h ILE 102 N 5.78 1.43 -3.78 0.60 2.04 -1.86 -1.78 117.51 119.94 3n59 h ILE 102 Ca -0.29 -1.28 -0.50 0.00 1.00 0.00 0.00 64.86 63.79 3n59 h ILE 102 Cb 1.19 2.28 0.04 0.00 -0.74 0.00 0.00 36.82 39.60 3n59 h ILE 102 CO 0.47 0.33 0.19 -0.94 0.00 0.00 0.00 178.15 178.21 3n59 s SER 103 N -5.77 6.25 -0.46 1.72 1.04 -1.26 -1.85 113.70 113.37 3n59 s SER 103 Ca -0.16 1.06 -0.28 0.00 0.48 0.00 0.00 55.95 57.04 3n59 s SER 103 Cb 0.01 -2.30 0.01 0.00 0.10 0.00 0.00 66.02 63.84 3n59 s SER 103 CO 0.68 -0.66 1.42 0.21 0.98 0.00 0.00 173.24 175.86 3n59 s ASN 104 N -4.13 6.27 0.10 7.02 3.84 -1.26 -2.58 114.94 124.19 3n59 s ASN 104 Ca 0.49 0.67 0.22 0.00 0.21 0.00 0.00 52.86 54.45 3n59 s ASN 104 Cb -0.10 -2.54 0.87 0.00 -0.55 0.00 0.00 41.25 38.93 3n59 s ASN 104 CO 0.47 -1.52 1.67 0.55 -2.79 0.00 0.00 177.10 175.48 3n59 n VAL 105 N 7.03 0.69 1.02 -5.21 3.14 -1.26 -2.82 118.33 120.92 3n59 n VAL 105 Ca 0.15 0.12 0.11 0.00 -2.96 0.00 0.00 64.34 61.76 3n59 n VAL 105 Cb 0.48 -0.88 0.01 0.00 -1.06 0.00 0.00 33.84 32.40 3n59 n VAL 105 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 3n59 n HIS 106 N -1.80 0.00 -0.82 1.45 8.25 -1.26 -3.88 115.22 117.15 3n59 n HIS 106 Ca 0.04 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.58 3n59 n HIS 106 Cb 0.26 -0.05 0.39 0.00 1.12 0.00 0.00 29.99 31.70 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 -1.05 3.61 -3.00 -1.41 0.00 -1.13 -4.94 120.51 112.58 3n59 n ALA 107 Ca 0.06 -1.84 0.00 0.00 0.00 0.00 0.00 53.44 51.66 3n59 n ALA 107 Cb 0.37 -1.07 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 0.74 3.24 -1.82 0.00 1.74 -1.25 -5.09 116.66 114.21 3n59 n ARG 108 Ca 0.27 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.98 3n59 n ARG 108 Cb 1.09 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 32.59 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 1.95 2.72 0.46 5.56 8.01 -1.26 -4.92 118.70 131.21 3n59 s GLU 109 Ca 0.00 2.02 0.23 0.00 0.01 0.00 0.00 54.97 57.23 3n59 s GLU 109 Cb 0.00 -1.90 1.10 0.00 -4.31 0.00 0.00 34.13 29.01 3n59 s GLU 109 CO 0.00 -1.46 1.93 1.49 0.01 0.00 0.00 175.26 177.23 3n59 h GLU 110 N 0.72 0.00 0.00 1.61 4.22 -1.96 -2.46 114.58 116.71 3n59 h GLU 110 Ca -0.51 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.93 3n59 h GLU 110 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 3n59 h GLU 110 CO 0.54 0.22 0.00 0.27 -2.18 0.00 0.00 179.01 177.86 3n59 h PHE 111 N 0.00 0.00 0.00 0.92 -5.15 -1.96 -2.72 116.94 108.03 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 0.57 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.74 3n59 h PHE 111 CO 0.00 0.00 -0.10 0.54 -2.00 0.00 0.00 178.31 176.75 3n59 n ARG 112 N -2.66 0.06 -0.01 6.09 1.74 -0.93 -3.67 116.66 117.28 3n59 n ARG 112 Ca 0.02 0.04 0.13 0.00 -0.77 0.00 0.00 57.85 57.27 3n59 n ARG 112 Cb 0.29 -1.56 0.64 0.00 -1.02 0.00 0.00 32.46 30.82 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 -1.66 1.34 -4.95 5.56 1.74 -1.03 -4.74 116.66 112.92 3n59 n ARG 113 Ca 0.06 -0.50 -0.33 0.00 -0.77 0.00 0.00 57.85 56.31 3n59 n ARG 113 Cb 0.36 -1.44 -0.14 0.00 -1.02 0.00 0.00 32.46 30.22 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 -1.96 2.66 -0.02 -1.55 2.46 -1.24 -5.08 115.29 110.55 3n59 s HIS 114 Ca 0.39 -0.23 0.01 0.00 0.47 0.00 0.00 55.06 55.69 3n59 s HIS 114 Cb 0.19 -1.62 0.02 0.00 -0.13 0.00 0.00 32.58 31.04 3n59 s HIS 114 CO 0.31 0.13 -0.01 0.45 -2.47 0.00 0.00 174.74 173.16 3n59 s SER 115 N -0.65 0.37 0.37 9.88 0.15 -1.26 -4.37 113.70 118.19 3n59 s SER 115 Ca 0.10 -0.03 0.20 0.00 0.70 0.00 0.00 55.95 56.91 3n59 s SER 115 Cb -0.11 -0.15 0.34 0.00 -1.71 0.00 0.00 66.02 64.40 3n59 s SER 115 CO 0.01 -0.05 1.58 1.88 1.20 0.00 0.00 173.24 177.86 3n59 h TYR 116 N 6.82 0.00 0.09 3.44 0.05 -1.67 -3.35 116.97 122.35 3n59 h TYR 116 Ca -0.37 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.11 3n59 h TYR 116 Cb 1.16 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.88 3n59 h TYR 116 CO 0.47 0.27 -1.53 -0.07 -1.05 0.00 0.00 178.16 176.24 3n59 h LEU 117 N 0.00 0.31 -0.66 3.88 3.38 -1.90 -3.39 115.31 116.93 3n59 h LEU 117 Ca -0.00 -0.45 0.12 0.00 0.09 0.00 0.00 57.88 57.63 3n59 h LEU 117 Cb 1.12 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.68 3n59 h LEU 117 CO 0.03 1.38 0.22 0.28 0.09 0.00 0.00 178.44 180.45 3n59 h SER 118 N 0.05 0.17 0.12 -0.43 0.02 -1.93 -1.52 113.55 110.04 3n59 h SER 118 Ca -0.24 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 3n59 h SER 118 Cb 2.00 0.10 -0.00 0.00 0.14 0.00 0.00 62.40 64.64 3n59 h SER 118 CO 0.15 0.08 -0.03 -0.65 -1.14 0.00 0.00 176.83 175.23 3n59 h PRO 119 N 0.37 0.00 -0.01 3.45 0.11 -1.79 -2.96 132.00 131.17 3n59 h PRO 119 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 3n59 h PRO 119 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 3n59 h PRO 119 CO -0.38 0.03 -0.18 0.44 -0.21 0.00 0.00 178.00 177.71 3n59 n ILE 120 N -3.67 0.00 -1.99 4.15 -6.64 -0.66 -4.99 119.36 105.56 3n59 n ILE 120 Ca -0.03 -0.41 -0.30 0.00 -1.77 0.00 0.00 62.75 60.24 3n59 n ILE 120 Cb 0.13 1.23 0.02 0.00 -1.44 0.00 0.00 39.64 39.57 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 -1.56 3.11 -0.00 -1.28 0.00 -0.67 -4.89 121.76 116.46 3n59 s ALA 121 Ca 0.14 -0.21 -0.25 0.00 0.00 0.00 0.00 51.96 51.64 3n59 s ALA 121 Cb 0.12 -2.99 -0.19 0.00 0.00 0.00 0.00 23.12 20.06 3n59 s ALA 121 CO 0.29 -0.74 1.32 1.15 0.00 0.00 0.00 175.76 177.78 3n59 h THR 122 N -0.31 1.35 -3.51 0.00 2.02 -0.73 -3.48 112.91 108.24 3n59 h THR 122 Ca -0.45 -1.08 -0.07 0.00 0.77 0.00 0.00 66.41 65.59 3n59 h THR 122 Cb 1.21 2.03 -0.07 0.00 -1.74 0.00 0.00 68.15 69.58 3n59 h THR 122 CO 0.62 0.29 -0.01 -0.83 0.37 0.00 0.00 175.52 175.96 3n59 s GLY 123 N -3.14 0.56 -0.03 2.16 0.00 -1.16 -5.04 107.32 100.67 3n59 s GLY 123 Ca -0.15 -0.87 0.01 0.00 0.00 0.00 0.00 44.72 43.71 3n59 s GLY 123 CO 0.68 -0.55 -0.04 0.14 0.00 0.00 0.00 173.10 173.34 3n59 s VAL 124 N -3.57 0.46 -0.15 1.40 1.01 -1.26 -1.49 120.40 116.80 3n59 s VAL 124 Ca 0.21 -0.11 -0.00 0.00 0.00 0.00 0.00 61.98 62.07 3n59 s VAL 124 Cb -0.02 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.87 3n59 s VAL 124 CO 0.11 0.19 -0.14 -0.63 0.00 0.00 0.00 175.10 174.63 3n59 s ILE 125 N 0.71 2.81 -0.04 2.22 1.01 0.75 -4.96 121.20 123.69 3n59 s ILE 125 Ca -0.09 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 59.86 3n59 s ILE 125 Cb -0.12 -2.19 0.01 0.00 0.01 0.00 0.00 42.46 40.17 3n59 s ILE 125 CO -0.00 0.51 -0.08 -0.69 0.00 0.00 0.00 174.94 174.68 3n59 s VAL 126 N 0.77 0.76 0.00 2.92 1.01 -1.26 -0.73 120.40 123.87 3n59 s VAL 126 Ca -0.05 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.64 3n59 s VAL 126 Cb -0.15 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.51 3n59 s VAL 126 CO 0.01 0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.98 3n59 n GLY 127 N 3.73 0.51 1.75 4.51 0.00 -0.67 -4.82 105.19 110.20 3n59 n GLY 127 Ca -0.22 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.75 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 5.23 0.00 0.99 4.77 -1.24 -4.60 117.00 122.15 3n59 n LEU 128 Ca 0.00 -2.71 0.00 0.00 -0.03 0.00 0.00 56.01 53.27 3n59 n LEU 128 Cb 0.04 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 3n59 n LEU 128 CO 0.00 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 3n59 n GLY 129 N -0.05 0.82 0.19 -0.72 0.00 -0.77 -3.11 105.19 101.56 3n59 n GLY 129 Ca 0.32 -0.71 0.14 0.00 0.00 0.00 0.00 46.02 45.77 3n59 n GLY 129 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3n59 h ILE 130 N 0.00 0.00 0.00 -0.61 6.09 -1.94 -2.72 117.51 118.32 3n59 h ILE 130 Ca 0.00 -0.31 0.00 0.00 -1.37 0.00 0.00 64.86 63.18 3n59 h ILE 130 Cb 0.00 1.14 0.00 0.00 0.47 0.00 0.00 36.82 38.43 3n59 h ILE 130 CO 0.00 0.00 0.00 -0.61 -3.07 0.00 0.00 178.15 174.47 3n59 h GLN 131 N 0.00 0.00 -0.97 2.19 4.15 -1.96 -3.08 115.11 115.44 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 0.39 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.00 3n59 h GLN 131 CO 0.00 0.00 0.61 0.78 -1.93 0.00 0.00 178.83 178.29 3n59 h GLY 132 N 2.62 1.56 0.99 2.39 0.00 -1.50 -0.79 103.07 108.34 3n59 h GLY 132 Ca 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 3n59 h GLY 132 CO 0.00 0.19 0.32 -0.97 0.00 0.00 0.00 176.54 176.08 3n59 h TYR 133 N 0.99 0.75 -0.41 5.60 -1.99 -1.77 -2.03 116.97 118.11 3n59 h TYR 133 Ca 0.47 -0.01 -0.13 0.00 2.00 0.00 0.00 58.73 61.06 3n59 h TYR 133 Cb 0.41 -0.24 -0.01 0.00 2.00 0.00 0.00 36.73 38.88 3n59 h TYR 133 CO -0.01 0.53 -0.25 -0.07 -0.00 0.00 0.00 178.16 178.36 3n59 h LEU 134 N 0.75 0.87 -0.86 3.88 3.38 -1.45 -2.21 115.31 119.67 3n59 h LEU 134 Ca 0.20 -0.33 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 3n59 h LEU 134 Cb 0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3n59 h LEU 134 CO -0.03 1.07 -0.54 -0.07 0.09 0.00 0.00 178.44 178.96 3n59 h LEU 135 N 0.73 0.08 -0.72 1.67 3.38 -1.16 -2.61 115.31 116.68 3n59 h LEU 135 Ca 0.09 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 3n59 h LEU 135 Cb 0.79 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 3n59 h LEU 135 CO 0.07 0.61 -0.00 0.00 0.09 0.00 0.00 178.44 179.20 3n59 h ALA 136 N 1.39 0.93 -0.52 1.53 0.00 -1.10 -2.26 119.26 119.23 3n59 h ALA 136 Ca -0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3n59 h ALA 136 Cb 0.98 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3n59 h ALA 136 CO 0.07 0.64 0.31 -0.07 0.00 0.00 0.00 179.25 180.21 3n59 h LEU 137 N 0.90 0.62 -0.98 0.00 3.38 -1.22 -2.76 115.31 115.24 3n59 h LEU 137 Ca 0.16 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3n59 h LEU 137 Cb 0.53 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3n59 h LEU 137 CO 0.03 0.49 0.04 -0.09 0.09 0.00 0.00 178.44 179.00 3n59 h ARG 138 N 0.69 0.78 -0.64 1.13 2.43 -1.29 -1.87 114.38 115.62 3n59 h ARG 138 Ca 0.19 -0.19 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3n59 h ARG 138 Cb -0.02 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 3n59 h ARG 138 CO -0.04 0.76 0.41 -0.92 -1.51 0.00 0.00 179.97 178.67 3n59 h TYR 139 N 0.74 0.76 0.00 2.20 3.20 -1.31 -2.70 116.97 119.86 3n59 h TYR 139 Ca 0.15 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3n59 h TYR 139 Cb 0.39 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.41 3n59 h TYR 139 CO 0.02 0.45 0.00 1.28 -1.64 0.00 0.00 178.16 178.27 3n59 n LEU 140 N -4.68 0.29 0.21 2.82 4.77 -0.77 -2.61 117.00 117.03 3n59 n LEU 140 Ca 0.06 0.56 0.08 0.00 -0.03 0.00 0.00 56.01 56.67 3n59 n LEU 140 Cb 0.06 -0.50 0.41 0.00 -2.33 0.00 0.00 43.42 41.05 3n59 n LEU 140 CO 0.34 -0.28 0.75 0.00 -1.33 0.00 0.00 177.39 176.86 3n59 h ALA 141 N 2.53 1.02 -0.37 -1.18 0.00 -1.04 -3.09 119.26 117.12 3n59 h ALA 141 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3n59 h ALA 141 Cb 0.39 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3n59 h ALA 141 CO 0.00 0.37 0.00 0.39 0.00 0.00 0.00 179.25 180.01 3n59 n GLU 142 N -3.47 2.76 -4.03 0.00 4.71 -1.07 -5.04 120.64 114.48 3n59 n GLU 142 Ca -0.00 -2.07 -0.08 0.00 -0.01 0.00 0.00 57.16 55.00 3n59 n GLU 142 Cb 0.46 -1.30 -0.09 0.00 -1.01 0.00 0.00 31.44 29.50 3n59 n GLU 142 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 3n59 s HIS 143 N -1.00 0.44 0.00 -0.32 3.76 -1.17 -5.14 115.29 111.86 3n59 s HIS 143 Ca 0.25 -0.95 0.00 0.00 -0.15 0.00 0.00 55.06 54.21 3n59 s HIS 143 Cb 0.13 -0.31 0.00 0.00 1.11 0.00 0.00 32.58 33.51 3n59 s HIS 143 CO 0.18 -0.43 0.00 1.55 -0.85 0.00 0.00 174.74 175.19