#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 4.03 -0.14 1.96 1.01 -1.26 -0.36 121.20 126.44 3n59 s ILE 4 Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 60.65 60.34 3n59 s ILE 4 Cb 0.00 -2.81 -0.02 0.00 0.01 0.00 0.00 42.46 39.64 3n59 s ILE 4 CO 0.00 0.44 -0.08 -0.69 0.00 0.00 0.00 174.94 174.61 3n59 s VAL 5 N 0.85 3.49 -0.34 2.92 1.01 0.82 -4.07 120.40 125.08 3n59 s VAL 5 Ca 0.01 -0.51 -0.13 0.00 0.00 0.00 0.00 61.98 61.35 3n59 s VAL 5 Cb -0.14 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 3n59 s VAL 5 CO 0.02 0.51 0.24 0.20 0.00 0.00 0.00 175.10 176.07 3n59 s ASN 6 N 0.29 6.04 -0.35 3.32 0.01 -0.70 -0.52 114.94 123.03 3n59 s ASN 6 Ca -0.07 -0.46 -0.14 0.00 -0.71 0.00 0.00 52.86 51.49 3n59 s ASN 6 Cb -0.15 -2.13 -0.01 0.00 0.41 0.00 0.00 41.25 39.37 3n59 s ASN 6 CO 0.04 -0.25 0.30 -0.69 -1.51 0.00 0.00 177.10 174.99 3n59 s VAL 7 N 1.72 5.23 -0.25 1.60 1.01 -0.07 -0.55 120.40 129.09 3n59 s VAL 7 Ca 0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 61.98 61.89 3n59 s VAL 7 Cb -0.17 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.46 3n59 s VAL 7 CO 0.10 -0.07 -0.08 -0.63 0.00 0.00 0.00 175.10 174.42 3n59 s ILE 8 N 1.84 2.64 -0.18 2.22 1.01 0.00 -0.68 121.20 128.06 3n59 s ILE 8 Ca 0.08 -1.17 -0.07 0.00 0.00 0.00 0.00 60.65 59.49 3n59 s ILE 8 Cb -0.17 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 3n59 s ILE 8 CO 0.11 0.17 0.06 0.20 0.00 0.00 0.00 174.94 175.48 3n59 s ASN 9 N 1.27 5.63 0.13 3.58 0.01 0.40 -1.53 114.94 124.43 3n59 s ASN 9 Ca -0.02 0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.22 3n59 s ASN 9 Cb -0.17 -1.97 0.00 0.00 0.41 0.00 0.00 41.25 39.52 3n59 s ASN 9 CO -0.05 0.17 0.00 0.61 -1.51 0.00 0.00 177.10 176.32 3n59 n GLY 10 N 3.54 0.75 3.53 0.66 0.00 0.20 -1.54 105.19 112.34 3n59 n GLY 10 Ca -0.17 -1.89 -0.47 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.30 0.91 -0.22 1.61 -0.02 -1.11 -2.44 135.00 133.43 3n59 n PRO 11 Ca 0.00 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3n59 n PRO 11 Cb 0.00 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 1.60 0.00 0.17 2.55 5.03 -1.26 -4.54 115.26 118.81 3n59 n ASN 12 Ca 0.13 0.00 0.13 0.00 0.87 0.00 0.00 54.58 55.71 3n59 n ASN 12 Cb 0.28 -0.59 0.39 0.00 -1.02 0.00 0.00 39.78 38.84 3n59 n ASN 12 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3n59 h LEU 13 N 0.00 0.00 -0.20 3.41 3.38 -1.84 -1.80 115.31 118.26 3n59 h LEU 13 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3n59 h LEU 13 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3n59 h LEU 13 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3n59 n GLY 14 N 0.85 -1.19 0.83 0.83 0.00 -1.26 -3.36 105.19 101.88 3n59 n GLY 14 Ca 0.04 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.77 2.05 -1.72 1.61 5.12 -0.67 -4.67 116.66 116.61 3n59 n ARG 15 Ca 0.04 -1.62 -0.43 0.00 -1.93 0.00 0.00 57.85 53.91 3n59 n ARG 15 Cb 0.23 -1.38 -0.03 0.00 -1.16 0.00 0.00 32.46 30.12 3n59 n ARG 15 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3n59 n LEU 16 N 0.82 3.92 0.00 0.55 4.77 -1.21 -3.13 117.00 122.72 3n59 n LEU 16 Ca 0.16 1.09 0.00 0.00 -0.03 0.00 0.00 56.01 57.23 3n59 n LEU 16 Cb 0.40 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 39.94 3n59 n LEU 16 CO 0.11 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 3n59 n GLY 17 N 3.28 2.94 0.75 -0.72 0.00 -1.22 -3.95 105.19 106.28 3n59 n GLY 17 Ca 0.14 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 0.67 0.00 1.61 3.00 -1.18 -4.81 116.66 115.94 3n59 n ARG 18 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3n59 n ARG 18 Cb 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 32.46 31.21 3n59 n ARG 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3n59 n GLY 25 N 0.42 0.00 1.30 -0.13 0.00 -1.26 -5.21 105.19 100.31 3n59 n GLY 25 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3n59 n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n59 n GLY 26 N 0.00 3.23 3.68 -0.02 0.00 -1.26 -4.97 105.19 105.85 3n59 n GLY 26 Ca 0.00 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.25 4.16 0.76 2.61 2.01 -1.26 -4.64 115.64 117.03 3n59 s THR 27 Ca 0.45 1.48 -0.08 0.00 0.31 0.00 0.00 61.69 63.85 3n59 s THR 27 Cb 0.32 -3.95 0.09 0.00 0.01 0.00 0.00 72.50 68.97 3n59 s THR 27 CO 0.16 -0.03 1.08 0.42 -0.69 0.00 0.00 174.62 175.57 3n59 s THR 28 N 2.49 2.18 0.20 -0.82 -4.23 -1.26 -3.41 115.64 110.79 3n59 s THR 28 Ca 0.57 -0.22 -0.06 0.00 -1.18 0.00 0.00 61.69 60.81 3n59 s THR 28 Cb -0.25 -2.96 0.04 0.00 1.34 0.00 0.00 72.50 70.66 3n59 s THR 28 CO 0.21 0.00 1.62 -0.74 -0.54 0.00 0.00 174.62 175.18 3n59 h HIS 29 N -0.81 0.96 -0.57 3.99 2.76 -1.83 -1.42 115.15 118.23 3n59 h HIS 29 Ca -0.44 -0.21 -0.00 0.00 -2.20 0.00 0.00 60.37 57.52 3n59 h HIS 29 Cb 1.30 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 30.00 3n59 h HIS 29 CO 0.08 0.96 0.35 -0.44 -1.30 0.00 0.00 177.93 177.58 3n59 h ASP 30 N 0.75 0.69 -0.59 3.26 3.32 -1.94 -0.58 116.42 121.33 3n59 h ASP 30 Ca 0.11 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 3n59 h ASP 30 Cb 0.71 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 3n59 h ASP 30 CO 0.05 0.54 0.19 -0.33 -1.72 0.00 0.00 179.24 177.98 3n59 h GLU 31 N 0.77 0.95 -0.24 3.56 5.08 -1.91 -1.04 114.58 121.75 3n59 h GLU 31 Ca 0.21 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3n59 h GLU 31 Cb -0.02 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 3n59 h GLU 31 CO -0.04 0.82 0.12 1.25 -1.00 0.00 0.00 179.01 180.16 3n59 h LEU 32 N 0.92 0.32 -0.91 1.33 5.85 -0.87 -0.44 115.31 121.50 3n59 h LEU 32 Ca 0.21 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3n59 h LEU 32 Cb 0.27 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 3n59 h LEU 32 CO -0.01 0.35 0.60 0.58 -0.34 0.00 0.00 178.44 179.62 3n59 h VAL 33 N 0.27 1.23 -0.17 1.05 2.07 -0.85 -1.32 116.25 118.53 3n59 h VAL 33 Ca 0.08 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 3n59 h VAL 33 Cb 0.11 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.77 3n59 h VAL 33 CO -0.01 0.23 0.10 0.00 0.02 0.00 0.00 177.57 177.90 3n59 h ALA 34 N 1.33 0.22 -0.63 1.67 0.00 -0.99 -2.24 119.26 118.63 3n59 h ALA 34 Ca 0.33 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 3n59 h ALA 34 Cb -0.14 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3n59 h ALA 34 CO -0.07 -0.25 0.20 -0.07 0.00 0.00 0.00 179.25 179.05 3n59 h LEU 35 N 0.19 0.89 -0.57 0.00 3.38 -0.73 -1.74 115.31 116.73 3n59 h LEU 35 Ca 0.06 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 3n59 h LEU 35 Cb 0.05 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3n59 h LEU 35 CO -0.01 0.83 -0.12 0.40 0.09 0.00 0.00 178.44 179.63 3n59 h ILE 36 N 0.92 1.27 -0.18 1.22 2.04 -1.19 -2.54 117.51 119.06 3n59 h ILE 36 Ca 0.21 -1.28 -0.16 0.00 1.00 0.00 0.00 64.86 64.63 3n59 h ILE 36 Cb 0.26 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 3n59 h ILE 36 CO -0.01 0.45 -0.55 -0.33 0.00 0.00 0.00 178.15 177.71 3n59 h GLU 37 N 0.90 0.53 -0.10 2.37 5.08 -1.15 0.30 114.58 122.51 3n59 h GLU 37 Ca 0.14 -0.33 0.02 0.00 -1.00 0.00 0.00 59.36 58.18 3n59 h GLU 37 Cb 0.69 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 3n59 h GLU 37 CO 0.05 0.94 -0.02 0.00 -1.00 0.00 0.00 179.01 178.99 3n59 h ARG 38 N 0.41 0.01 -0.38 2.33 -0.00 -1.30 -2.05 114.38 113.40 3n59 h ARG 38 Ca 0.01 -0.00 -0.10 0.00 -0.50 0.00 0.00 59.98 59.39 3n59 h ARG 38 Cb 1.09 -0.00 -0.02 0.00 0.00 0.00 0.00 29.97 31.04 3n59 h ARG 38 CO 0.10 0.01 -0.15 1.49 0.00 0.00 0.00 179.97 181.42 3n59 h GLU 39 N 0.01 0.70 -0.61 0.04 4.57 -1.33 -2.53 114.58 115.44 3n59 h GLU 39 Ca 0.05 -0.24 -0.00 0.00 -1.18 0.00 0.00 59.36 57.98 3n59 h GLU 39 Cb 0.07 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 3n59 h GLU 39 CO -0.09 0.82 0.36 0.00 -1.18 0.00 0.00 179.01 178.92 3n59 h ALA 40 N 1.20 0.77 -0.52 2.92 0.00 -0.82 -2.25 119.26 120.57 3n59 h ALA 40 Ca 0.10 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3n59 h ALA 40 Cb 0.62 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3n59 h ALA 40 CO 0.04 0.25 0.02 0.00 0.00 0.00 0.00 179.25 179.57 3n59 h ALA 41 N 1.18 0.69 0.00 0.00 0.00 -1.19 0.21 119.26 120.16 3n59 h ALA 41 Ca 0.22 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3n59 h ALA 41 Cb -0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3n59 h ALA 41 CO -0.04 0.49 -0.24 1.05 0.00 0.00 0.00 179.25 180.51 3n59 h GLU 42 N 0.77 0.00 -0.02 0.00 4.11 -1.32 -2.77 114.58 115.36 3n59 h GLU 42 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.58 3n59 h GLU 42 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3n59 h GLU 42 CO 0.02 0.24 -0.13 1.28 0.07 0.00 0.00 179.01 180.49 3n59 n LEU 43 N -3.81 1.88 -1.07 3.06 4.77 -0.86 -4.95 117.00 116.02 3n59 n LEU 43 Ca -0.02 -0.62 -0.07 0.00 -0.03 0.00 0.00 56.01 55.28 3n59 n LEU 43 Cb 0.34 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.41 3n59 n LEU 43 CO 0.34 0.32 -0.01 0.61 -1.33 0.00 0.00 177.39 177.33 3n59 n GLY 44 N 1.29 0.30 3.48 -0.72 0.00 -0.98 -5.00 105.19 103.56 3n59 n GLY 44 Ca 0.15 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.35 2.45 -0.20 0.99 1.43 0.72 -4.81 118.68 116.92 3n59 s LEU 45 Ca 0.09 -1.29 0.01 0.00 -1.03 0.00 0.00 54.13 51.90 3n59 s LEU 45 Cb -0.04 -0.61 0.02 0.00 0.03 0.00 0.00 46.19 45.60 3n59 s LEU 45 CO 0.11 -0.46 -0.17 -0.75 0.23 0.00 0.00 176.35 175.31 3n59 s LYS 46 N -3.78 2.93 -0.21 1.70 2.20 0.52 -3.88 119.74 119.22 3n59 s LYS 46 Ca 0.33 -0.88 -0.07 0.00 -0.36 0.00 0.00 55.97 55.00 3n59 s LYS 46 Cb 0.07 -2.66 -0.03 0.00 -1.51 0.00 0.00 37.83 33.69 3n59 s LYS 46 CO 0.15 -0.26 0.05 0.00 -0.36 0.00 0.00 175.35 174.93 3n59 s ALA 47 N 1.29 3.22 -0.48 3.13 0.00 -1.26 -0.13 121.76 127.53 3n59 s ALA 47 Ca 0.03 -0.95 -0.09 0.00 0.00 0.00 0.00 51.96 50.95 3n59 s ALA 47 Cb -0.14 -1.95 0.12 0.00 0.00 0.00 0.00 23.12 21.15 3n59 s ALA 47 CO -0.11 -0.16 0.36 0.08 0.00 0.00 0.00 175.76 175.93 3n59 s VAL 48 N 1.01 4.25 -0.21 0.00 1.01 0.32 -4.91 120.40 121.85 3n59 s VAL 48 Ca 0.03 -1.81 -0.15 0.00 0.00 0.00 0.00 61.98 60.06 3n59 s VAL 48 Cb -0.14 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 3n59 s VAL 48 CO 0.03 -0.78 0.37 -0.69 0.00 0.00 0.00 175.10 174.02 3n59 s VAL 49 N 1.33 5.22 0.00 2.92 1.01 -1.26 -0.89 120.40 128.73 3n59 s VAL 49 Ca 0.06 0.63 -0.00 0.00 0.00 0.00 0.00 61.98 62.66 3n59 s VAL 49 Cb -0.26 -3.70 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 3n59 s VAL 49 CO -0.01 0.25 0.00 -0.13 0.00 0.00 0.00 175.10 175.21 3n59 s ARG 50 N 1.37 0.10 0.02 2.72 0.52 0.14 -4.98 118.95 118.84 3n59 s ARG 50 Ca 0.17 -0.16 0.06 0.00 -0.52 0.00 0.00 55.73 55.28 3n59 s ARG 50 Cb -0.15 0.04 -0.02 0.00 0.52 0.00 0.00 34.95 35.34 3n59 s ARG 50 CO 0.08 -0.02 -0.17 -1.14 0.02 0.00 0.00 175.30 174.07 3n59 s GLN 51 N -0.41 1.22 -0.13 3.54 -0.44 -1.26 -0.46 119.66 121.72 3n59 s GLN 51 Ca -0.04 -0.76 -0.22 0.00 -2.50 0.00 0.00 55.36 51.83 3n59 s GLN 51 Cb -0.03 -1.25 0.05 0.00 -1.64 0.00 0.00 33.01 30.15 3n59 s GLN 51 CO -0.00 0.32 0.56 0.45 0.50 0.00 0.00 175.29 177.12 3n59 s SER 52 N -0.90 -0.54 0.00 6.67 0.15 -0.59 -4.98 113.70 113.52 3n59 s SER 52 Ca 0.05 0.84 0.28 0.00 0.70 0.00 0.00 55.95 57.82 3n59 s SER 52 Cb -0.08 0.84 1.27 0.00 -1.71 0.00 0.00 66.02 66.34 3n59 s SER 52 CO 0.01 -0.36 1.86 0.47 1.20 0.00 0.00 173.24 176.42 3n59 n ASP 53 N 1.96 1.03 -4.62 5.45 8.00 -1.26 -2.75 116.55 124.36 3n59 n ASP 53 Ca -0.17 -1.38 -0.38 0.00 0.71 0.00 0.00 54.79 53.58 3n59 n ASP 53 Cb 0.56 -0.01 -0.10 0.00 -0.02 0.00 0.00 41.12 41.56 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 -1.94 6.16 0.15 -2.24 0.15 -1.26 -4.67 113.70 110.05 3n59 s SER 54 Ca 0.40 0.17 -0.16 0.00 0.70 0.00 0.00 55.95 57.06 3n59 s SER 54 Cb 0.21 -2.16 0.03 0.00 -1.71 0.00 0.00 66.02 62.39 3n59 s SER 54 CO 0.33 -0.06 1.80 -0.08 1.20 0.00 0.00 173.24 176.43 3n59 h GLU 55 N 7.97 0.45 -0.95 5.44 4.81 -2.00 -2.33 114.58 127.96 3n59 h GLU 55 Ca -0.35 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 58.92 3n59 h GLU 55 Cb 1.17 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.39 3n59 h GLU 55 CO 0.62 0.30 0.62 0.00 -0.73 0.00 0.00 179.01 179.82 3n59 h ALA 56 N 1.17 1.48 -0.49 2.92 0.00 -1.99 -0.84 119.26 121.51 3n59 h ALA 56 Ca 0.15 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3n59 h ALA 56 Cb -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3n59 h ALA 56 CO -0.07 0.38 0.04 0.37 0.00 0.00 0.00 179.25 179.97 3n59 h GLN 57 N 1.08 0.83 -0.60 0.00 5.75 -1.90 -1.80 115.11 118.47 3n59 h GLN 57 Ca 0.41 -0.24 -0.03 0.00 -0.15 0.00 0.00 58.65 58.64 3n59 h GLN 57 Cb 0.21 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 3n59 h GLN 57 CO -0.16 0.85 0.24 -0.07 -2.65 0.00 0.00 178.83 177.04 3n59 h LEU 58 N 0.69 0.82 -0.90 -2.39 3.38 -0.88 -1.87 115.31 114.17 3n59 h LEU 58 Ca 0.14 -0.17 0.09 0.00 0.09 0.00 0.00 57.88 58.03 3n59 h LEU 58 Cb 0.45 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 3n59 h LEU 58 CO 0.02 0.77 0.55 -0.07 0.09 0.00 0.00 178.44 179.79 3n59 h LEU 59 N 0.83 0.82 -0.45 1.67 3.38 -1.01 -1.96 115.31 118.59 3n59 h LEU 59 Ca 0.20 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 3n59 h LEU 59 Cb 0.19 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3n59 h LEU 59 CO -0.02 0.48 0.04 -0.78 0.09 0.00 0.00 178.44 178.25 3n59 h ASP 60 N 0.93 0.74 -0.26 -0.43 3.58 -0.94 -1.77 116.42 118.28 3n59 h ASP 60 Ca 0.42 -0.28 -0.07 0.00 0.42 0.00 0.00 57.03 57.51 3n59 h ASP 60 Cb 0.32 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 3n59 h ASP 60 CO -0.22 0.84 -0.06 -0.50 -2.88 0.00 0.00 179.24 176.42 3n59 h TRP 61 N 0.62 0.67 -0.07 0.28 6.55 -0.87 -1.97 115.95 121.15 3n59 h TRP 61 Ca 0.13 -0.10 -0.15 0.00 0.95 0.00 0.00 58.89 59.73 3n59 h TRP 61 Cb 0.44 -0.18 -0.01 0.00 -0.86 0.00 0.00 29.16 28.55 3n59 h TRP 61 CO 0.03 0.68 -0.61 0.82 -1.05 0.00 0.00 178.44 178.30 3n59 h ILE 62 N 0.58 1.39 -0.46 1.49 2.04 -1.31 -2.37 117.51 118.86 3n59 h ILE 62 Ca 0.11 -2.00 -0.01 0.00 1.00 0.00 0.00 64.86 63.96 3n59 h ILE 62 Cb 0.46 2.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 3n59 h ILE 62 CO 0.02 0.59 0.23 0.45 0.00 0.00 0.00 178.15 179.45 3n59 h HIS 63 N 0.19 0.65 -0.48 1.37 3.86 -0.87 0.12 115.15 119.99 3n59 h HIS 63 Ca -0.01 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 3n59 h HIS 63 Cb 1.13 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.37 3n59 h HIS 63 CO 0.02 0.51 0.21 1.96 0.86 0.00 0.00 177.93 181.49 3n59 h GLN 64 N 0.60 0.71 0.00 2.45 4.20 -1.32 -0.92 115.11 120.83 3n59 h GLN 64 Ca 0.16 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 3n59 h GLN 64 Cb 0.09 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3n59 h GLN 64 CO -0.02 0.62 -0.33 0.00 -0.67 0.00 0.00 178.83 178.43 3n59 h ALA 65 N 1.05 1.44 -0.26 3.87 0.00 -1.25 0.08 119.26 124.19 3n59 h ALA 65 Ca 0.16 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 3n59 h ALA 65 Cb 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3n59 h ALA 65 CO -0.02 0.41 -0.21 0.00 0.00 0.00 0.00 179.25 179.43 3n59 h ALA 66 N 1.67 0.38 -0.40 0.00 0.00 -0.37 -0.88 119.26 119.66 3n59 h ALA 66 Ca -0.00 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 3n59 h ALA 66 Cb 0.58 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3n59 h ALA 66 CO 0.04 0.33 -0.25 -0.44 0.00 0.00 0.00 179.25 178.93 3n59 h ASP 67 N 0.34 0.86 0.53 0.00 3.32 -0.80 -3.03 116.42 117.63 3n59 h ASP 67 Ca 0.05 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3n59 h ASP 67 Cb 0.76 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3n59 h ASP 67 CO 0.06 1.07 -0.22 0.00 -1.72 0.00 0.00 179.24 178.42 3n59 n ALA 68 N -2.51 2.94 -3.66 3.45 0.00 -0.02 -4.95 120.51 115.76 3n59 n ALA 68 Ca -0.00 -0.27 -0.24 0.00 0.00 0.00 0.00 53.44 52.92 3n59 n ALA 68 Cb 0.46 -1.28 0.06 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.20 -1.46 -2.82 0.00 0.00 -0.58 -5.01 120.51 109.44 3n59 n ALA 69 Ca 0.10 0.25 -0.36 0.00 0.00 0.00 0.00 53.44 53.42 3n59 n ALA 69 Cb 0.32 -4.57 -0.07 0.00 0.00 0.00 0.00 19.45 15.12 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 3.29 0.69 0.00 2.02 -0.44 -4.64 118.70 113.38 3n59 s GLU 70 Ca 0.48 -0.23 -0.16 0.00 0.02 0.00 0.00 54.97 55.08 3n59 s GLU 70 Cb -0.22 -3.06 0.01 0.00 0.10 0.00 0.00 34.13 30.97 3n59 s GLU 70 CO 0.76 0.75 1.19 -1.25 0.02 0.00 0.00 175.26 176.73 3n59 s PRO 71 N -1.05 2.45 -0.06 0.39 0.04 -1.26 -4.70 135.00 130.81 3n59 s PRO 71 Ca 0.15 1.71 0.03 0.00 0.04 0.00 0.00 61.00 62.93 3n59 s PRO 71 Cb -0.12 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.55 3n59 s PRO 71 CO 0.04 -1.59 -0.17 0.08 0.04 0.00 0.00 177.00 175.41 3n59 s VAL 72 N -1.96 1.44 -0.28 -0.36 1.01 -0.71 -1.73 120.40 117.82 3n59 s VAL 72 Ca 0.74 -0.69 -0.08 0.00 0.00 0.00 0.00 61.98 61.95 3n59 s VAL 72 Cb -0.28 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 3n59 s VAL 72 CO 0.42 0.42 0.10 -0.63 0.00 0.00 0.00 175.10 175.41 3n59 s ILE 73 N 0.34 4.40 -0.17 2.22 1.01 0.29 -1.11 121.20 128.18 3n59 s ILE 73 Ca -0.11 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.24 3n59 s ILE 73 Cb -0.14 -3.15 0.02 0.00 0.01 0.00 0.00 42.46 39.19 3n59 s ILE 73 CO 0.04 0.21 -0.19 -0.22 0.00 0.00 0.00 174.94 174.78 3n59 s LEU 74 N 1.60 2.03 -0.36 2.97 2.96 0.20 -0.81 118.68 127.27 3n59 s LEU 74 Ca 0.05 -0.61 -0.01 0.00 -0.22 0.00 0.00 54.13 53.34 3n59 s LEU 74 Cb -0.16 -1.41 0.09 0.00 0.50 0.00 0.00 46.19 45.21 3n59 s LEU 74 CO 0.05 -0.01 0.11 0.21 -1.32 0.00 0.00 176.35 175.39 3n59 s ASN 75 N 1.33 5.05 0.00 3.68 3.84 -0.58 -0.99 114.94 127.27 3n59 s ASN 75 Ca 0.05 -1.83 0.27 0.00 0.21 0.00 0.00 52.86 51.55 3n59 s ASN 75 Cb -0.13 -1.76 0.81 0.00 -0.55 0.00 0.00 41.25 39.63 3n59 s ASN 75 CO -0.12 -0.43 1.60 0.00 -2.79 0.00 0.00 177.10 175.36 3n59 n ALA 76 N 4.54 2.88 -0.92 1.71 0.00 -1.26 0.62 120.51 128.07 3n59 n ALA 76 Ca -0.04 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.95 3n59 n ALA 76 Cb 0.42 -1.12 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 1.28 2.98 0.29 0.00 0.00 -1.26 -2.69 105.19 105.78 3n59 n GLY 77 Ca 0.15 -0.32 0.19 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.47 103.07 100.62 3n59 h GLY 78 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3n59 h GLY 78 CO 0.00 0.00 -0.11 1.41 0.00 0.00 0.00 176.54 177.84 3n59 h LEU 79 N 0.00 0.00 -0.76 3.11 3.38 -1.89 -2.97 115.31 116.17 3n59 h LEU 79 Ca 0.00 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.14 3n59 h LEU 79 Cb 0.17 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.80 3n59 h LEU 79 CO 0.00 0.11 0.15 0.74 0.09 0.00 0.00 178.44 179.53 3n59 h THR 80 N 0.00 0.44 -0.01 0.22 2.02 -1.59 0.43 112.91 114.43 3n59 h THR 80 Ca -0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3n59 h THR 80 Cb 0.57 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3n59 h THR 80 CO 0.01 0.04 -0.37 1.41 0.37 0.00 0.00 175.52 176.98 3n59 n HIS 81 N -5.21 0.00 0.00 3.16 8.25 -1.12 -1.42 115.22 118.87 3n59 n HIS 81 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 3n59 n HIS 81 Cb 0.50 -0.12 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 -0.73 0.00 -3.21 1.59 -2.24 -0.95 -4.81 114.28 103.94 3n59 n THR 82 Ca 0.10 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.45 3n59 n THR 82 Cb 0.36 -0.48 -0.07 0.00 -2.10 0.00 0.00 70.33 68.04 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 -2.08 6.24 0.15 3.42 0.15 0.10 -4.88 113.70 116.80 3n59 s SER 83 Ca 0.00 -0.67 -0.01 0.00 0.70 0.00 0.00 55.95 55.97 3n59 s SER 83 Cb 0.00 -2.27 -0.04 0.00 -1.71 0.00 0.00 66.02 62.00 3n59 s SER 83 CO 0.00 -0.74 1.35 0.58 1.20 0.00 0.00 173.24 175.63 3n59 h VAL 84 N 5.81 1.44 -0.90 4.45 2.07 -1.95 -3.15 116.25 124.01 3n59 h VAL 84 Ca -0.26 -2.48 0.02 0.00 0.82 0.00 0.00 66.70 64.80 3n59 h VAL 84 Cb 1.10 2.40 -0.05 0.00 -1.52 0.00 0.00 31.29 33.23 3n59 h VAL 84 CO 0.88 0.73 0.59 0.00 0.02 0.00 0.00 177.57 179.79 3n59 h ALA 85 N 0.86 1.17 -0.50 1.67 0.00 -1.98 0.58 119.26 121.05 3n59 h ALA 85 Ca -0.06 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3n59 h ALA 85 Cb 1.51 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3n59 h ALA 85 CO 0.15 0.49 -0.17 1.25 0.00 0.00 0.00 179.25 180.97 3n59 h LEU 86 N 1.18 1.02 -0.46 0.00 5.85 -1.95 -2.15 115.31 118.80 3n59 h LEU 86 Ca 0.35 -0.38 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3n59 h LEU 86 Cb -0.07 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.65 3n59 h LEU 86 CO -0.10 1.17 0.28 -0.09 -0.34 0.00 0.00 178.44 179.37 3n59 h ARG 87 N 0.87 0.55 -0.73 1.25 2.43 -1.38 -1.36 114.38 116.02 3n59 h ARG 87 Ca 0.12 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 3n59 h ARG 87 Cb 0.75 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.14 3n59 h ARG 87 CO 0.06 0.37 0.36 -0.44 -1.51 0.00 0.00 179.97 178.80 3n59 h ASP 88 N 0.57 0.94 -0.26 -3.80 3.32 -0.71 -1.09 116.42 115.39 3n59 h ASP 88 Ca 0.18 -0.10 -0.17 0.00 0.02 0.00 0.00 57.03 56.96 3n59 h ASP 88 Cb -0.01 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.30 3n59 h ASP 88 CO -0.07 0.79 -0.52 0.00 -1.72 0.00 0.00 179.24 177.72 3n59 h ALA 89 N 1.35 0.41 0.00 3.45 0.00 -1.24 -3.08 119.26 120.16 3n59 h ALA 89 Ca 0.25 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3n59 h ALA 89 Cb 0.10 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3n59 h ALA 89 CO -0.03 0.61 -0.09 0.00 0.00 0.00 0.00 179.25 179.73 3n59 h ALA 91 N 1.91 1.40 0.00 0.00 0.00 -1.11 -2.70 119.26 118.75 3n59 h ALA 91 Ca -0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3n59 h ALA 91 Cb 0.36 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3n59 h ALA 91 CO 0.01 0.27 -0.21 0.93 0.00 0.00 0.00 179.25 180.25 3n59 h GLU 92 N 0.00 0.00 -6.49 0.00 5.08 -1.55 -3.45 114.58 108.18 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 0.46 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.74 3n59 h GLU 92 CO 0.03 0.21 1.11 -0.51 -1.00 0.00 0.00 179.01 178.85 3n59 s LEU 93 N -6.93 4.40 -0.07 1.33 1.43 -1.02 -4.90 118.68 112.92 3n59 s LEU 93 Ca -0.00 2.71 -0.07 0.00 -1.03 0.00 0.00 54.13 55.74 3n59 s LEU 93 Cb 0.11 -3.56 -0.28 0.00 0.03 0.00 0.00 46.19 42.49 3n59 s LEU 93 CO 0.63 -0.99 0.57 0.77 0.23 0.00 0.00 176.35 177.55 3n59 h SER 94 N 8.76 0.48 -4.33 2.29 4.64 -1.87 -3.47 113.55 120.04 3n59 h SER 94 Ca -0.46 -0.84 -0.51 0.00 -0.47 0.00 0.00 61.79 59.51 3n59 h SER 94 Cb 1.22 -0.15 0.09 0.00 -0.31 0.00 0.00 62.40 63.24 3n59 h SER 94 CO 0.95 1.73 0.37 0.00 -0.87 0.00 0.00 176.83 179.01 3n59 s ALA 95 N -2.58 2.69 0.58 5.18 0.00 -1.26 -4.99 121.76 121.39 3n59 s ALA 95 Ca -0.17 0.10 -0.19 0.00 0.00 0.00 0.00 51.96 51.70 3n59 s ALA 95 Cb 0.06 -3.18 -0.05 0.00 0.00 0.00 0.00 23.12 19.96 3n59 s ALA 95 CO 0.82 -1.19 1.08 -2.30 0.00 0.00 0.00 175.76 174.17 3n59 n PRO 96 N -3.05 1.10 -4.00 0.00 -0.02 -1.26 -4.75 135.00 123.02 3n59 n PRO 96 Ca 0.08 0.42 -0.27 0.00 -2.02 0.00 0.00 63.50 61.70 3n59 n PRO 96 Cb 0.53 -2.27 -0.17 0.00 -0.02 0.00 0.00 33.50 31.57 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 -2.43 1.32 -0.19 2.45 2.96 -1.26 -1.73 118.68 119.79 3n59 s LEU 97 Ca 0.75 -0.33 -0.03 0.00 -0.22 0.00 0.00 54.13 54.29 3n59 s LEU 97 Cb -0.42 -0.90 -0.01 0.00 0.50 0.00 0.00 46.19 45.35 3n59 s LEU 97 CO 0.47 -0.09 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.73 3n59 s ILE 98 N 1.56 3.50 -0.01 6.68 1.01 -0.26 0.03 121.20 133.70 3n59 s ILE 98 Ca 0.03 -0.47 -0.22 0.00 0.00 0.00 0.00 60.65 59.99 3n59 s ILE 98 Cb -0.13 -2.56 -0.05 0.00 0.01 0.00 0.00 42.46 39.73 3n59 s ILE 98 CO -0.07 0.45 0.65 -0.70 0.00 0.00 0.00 174.94 175.26 3n59 s GLU 99 N 1.06 4.38 -0.05 2.79 2.12 -0.43 -0.63 118.70 127.94 3n59 s GLU 99 Ca 0.01 0.82 0.03 0.00 0.36 0.00 0.00 54.97 56.19 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 0.00 0.29 -0.15 0.08 -0.54 0.00 0.00 175.26 174.95 3n59 s VAL 100 N 0.02 1.30 -0.05 3.70 1.01 -0.16 -0.59 120.40 125.63 3n59 s VAL 100 Ca 0.34 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.74 3n59 s VAL 100 Cb -0.19 -1.15 -0.00 0.00 0.00 0.00 0.00 36.38 35.05 3n59 s VAL 100 CO 0.18 0.39 -0.17 -1.00 0.00 0.00 0.00 175.10 174.50 3n59 s HIS 101 N 0.30 1.78 -0.02 5.22 3.76 -0.13 -4.24 115.29 121.95 3n59 s HIS 101 Ca -0.09 -0.56 -0.26 0.00 -0.15 0.00 0.00 55.06 54.00 3n59 s HIS 101 Cb -0.13 -1.21 -0.20 0.00 1.11 0.00 0.00 32.58 32.15 3n59 s HIS 101 CO 0.03 -0.21 1.26 0.82 -0.85 0.00 0.00 174.74 175.79 3n59 h ILE 102 N 5.42 1.38 -3.73 0.60 2.04 -1.87 -2.10 117.51 119.26 3n59 h ILE 102 Ca -0.31 -1.14 -0.49 0.00 1.00 0.00 0.00 64.86 63.93 3n59 h ILE 102 Cb 1.18 2.15 0.05 0.00 -0.74 0.00 0.00 36.82 39.46 3n59 h ILE 102 CO 0.48 0.29 0.18 -0.94 0.00 0.00 0.00 178.15 178.16 3n59 s SER 103 N -5.68 5.95 -0.59 1.72 1.04 -1.26 -1.95 113.70 112.93 3n59 s SER 103 Ca -0.16 0.90 -0.27 0.00 0.48 0.00 0.00 55.95 56.90 3n59 s SER 103 Cb 0.02 -2.04 0.00 0.00 0.10 0.00 0.00 66.02 64.10 3n59 s SER 103 CO 0.67 -0.84 1.60 0.21 0.98 0.00 0.00 173.24 175.86 3n59 s ASN 104 N -4.21 5.78 0.11 7.02 3.84 -1.26 -2.21 114.94 124.02 3n59 s ASN 104 Ca 0.51 0.27 0.17 0.00 0.21 0.00 0.00 52.86 54.02 3n59 s ASN 104 Cb -0.10 -2.54 0.73 0.00 -0.55 0.00 0.00 41.25 38.78 3n59 s ASN 104 CO 0.46 -1.99 1.52 0.55 -2.79 0.00 0.00 177.10 174.85 3n59 n VAL 105 N 6.96 1.04 1.05 -5.21 3.14 -1.26 -2.15 118.33 121.90 3n59 n VAL 105 Ca 0.15 0.30 0.11 0.00 -2.96 0.00 0.00 64.34 61.94 3n59 n VAL 105 Cb 0.50 -1.16 0.07 0.00 -1.06 0.00 0.00 33.84 32.20 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 -1.82 0.00 -0.22 1.45 8.25 -1.26 -4.06 115.22 117.56 3n59 n HIS 106 Ca 0.02 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.59 3n59 n HIS 106 Cb 0.17 -0.02 0.28 0.00 1.12 0.00 0.00 29.99 31.54 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 -0.04 2.36 -2.65 -1.41 0.00 -0.91 -4.94 120.51 112.92 3n59 n ALA 107 Ca 0.10 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.32 3n59 n ALA 107 Cb 0.46 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.05 3n59 n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3n59 n ARG 108 N 1.48 2.55 -2.19 0.00 1.74 -1.26 -5.10 116.66 113.89 3n59 n ARG 108 Ca 0.22 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.97 3n59 n ARG 108 Cb 0.59 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 32.03 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 4.85 3.48 0.37 5.56 8.01 -1.26 -4.98 118.70 134.74 3n59 s GLU 109 Ca 0.00 1.23 0.06 0.00 0.01 0.00 0.00 54.97 56.27 3n59 s GLU 109 Cb 0.00 -2.05 0.73 0.00 -4.31 0.00 0.00 34.13 28.50 3n59 s GLU 109 CO 0.00 -0.68 1.96 0.93 0.01 0.00 0.00 175.26 177.48 3n59 h GLU 110 N 0.75 0.50 0.00 1.61 4.39 -1.96 -2.58 114.58 117.29 3n59 h GLU 110 Ca -0.48 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.15 3n59 h GLU 110 Cb 1.22 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 3n59 h GLU 110 CO 0.58 0.45 0.00 0.27 -1.16 0.00 0.00 179.01 179.15 3n59 h PHE 111 N 0.49 0.00 0.00 4.33 -5.15 -1.96 -1.88 116.94 112.77 3n59 h PHE 111 Ca 0.12 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.89 3n59 h PHE 111 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.34 3n59 h PHE 111 CO 0.01 0.00 -0.27 0.54 -2.00 0.00 0.00 178.31 176.59 3n59 n ARG 112 N -2.80 0.15 0.00 6.09 1.74 -0.97 -3.65 116.66 117.21 3n59 n ARG 112 Ca -0.00 0.08 0.15 0.00 -0.77 0.00 0.00 57.85 57.31 3n59 n ARG 112 Cb 0.20 -1.63 0.82 0.00 -1.02 0.00 0.00 32.46 30.84 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 -1.87 1.19 -4.74 5.56 1.74 -0.71 -4.69 116.66 113.15 3n59 n ARG 113 Ca 0.05 -0.28 -0.33 0.00 -0.77 0.00 0.00 57.85 56.52 3n59 n ARG 113 Cb 0.39 -1.49 -0.14 0.00 -1.02 0.00 0.00 32.46 30.19 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 -2.01 2.81 -0.07 -1.55 2.46 -1.24 -5.06 115.29 110.64 3n59 s HIS 114 Ca 0.45 -0.67 0.04 0.00 0.47 0.00 0.00 55.06 55.35 3n59 s HIS 114 Cb 0.22 -1.85 -0.00 0.00 -0.13 0.00 0.00 32.58 30.81 3n59 s HIS 114 CO 0.36 -0.24 -0.20 0.45 -2.47 0.00 0.00 174.74 172.65 3n59 s SER 115 N 0.41 2.54 0.33 9.88 0.15 -1.26 -4.32 113.70 121.43 3n59 s SER 115 Ca -0.10 -0.43 0.26 0.00 0.70 0.00 0.00 55.95 56.37 3n59 s SER 115 Cb -0.16 -0.93 0.74 0.00 -1.71 0.00 0.00 66.02 63.97 3n59 s SER 115 CO 0.05 0.15 1.74 1.88 1.20 0.00 0.00 173.24 178.26 3n59 h TYR 116 N 6.49 0.00 0.04 3.44 0.05 -1.55 -3.35 116.97 122.09 3n59 h TYR 116 Ca -0.28 0.00 -0.33 0.00 0.05 0.00 0.00 58.73 58.17 3n59 h TYR 116 Cb 1.20 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.90 3n59 h TYR 116 CO 0.45 0.00 -1.89 1.28 -1.05 0.00 0.00 178.16 176.96 3n59 n LEU 117 N -2.64 1.53 -0.17 3.88 4.77 -1.26 -4.46 117.00 118.66 3n59 n LEU 117 Ca 0.04 0.29 -0.02 0.00 -0.03 0.00 0.00 56.01 56.30 3n59 n LEU 117 Cb 0.42 -0.31 0.06 0.00 -2.33 0.00 0.00 43.42 41.26 3n59 n LEU 117 CO 0.30 0.58 0.83 0.28 -1.33 0.00 0.00 177.39 178.05 3n59 h SER 118 N 0.03 -0.27 -0.31 -1.43 0.02 -1.93 -1.69 113.55 107.96 3n59 h SER 118 Ca -0.36 0.13 0.04 0.00 -0.84 0.00 0.00 61.79 60.75 3n59 h SER 118 Cb 2.03 0.24 -0.02 0.00 0.14 0.00 0.00 62.40 64.80 3n59 h SER 118 CO 0.07 -0.10 0.21 -0.65 -1.14 0.00 0.00 176.83 175.22 3n59 h PRO 119 N 0.09 0.26 0.00 3.45 0.11 -1.79 -2.79 132.00 131.33 3n59 h PRO 119 Ca 0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.36 3n59 h PRO 119 Cb 0.41 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.46 3n59 h PRO 119 CO -0.46 0.17 -0.95 0.44 -0.21 0.00 0.00 178.00 176.99 3n59 n ILE 120 N -4.49 0.01 -1.88 4.15 -6.64 -0.94 -4.95 119.36 104.62 3n59 n ILE 120 Ca 0.03 -0.04 -0.32 0.00 -1.77 0.00 0.00 62.75 60.65 3n59 n ILE 120 Cb 0.18 0.74 0.02 0.00 -1.44 0.00 0.00 39.64 39.15 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 -3.04 2.77 -0.02 -1.28 0.00 -0.68 -4.92 121.76 114.59 3n59 s ALA 121 Ca 0.08 0.23 -0.25 0.00 0.00 0.00 0.00 51.96 52.01 3n59 s ALA 121 Cb 0.16 -3.19 -0.19 0.00 0.00 0.00 0.00 23.12 19.90 3n59 s ALA 121 CO 0.83 -0.91 1.22 1.15 0.00 0.00 0.00 175.76 178.05 3n59 h THR 122 N -0.01 1.17 -3.99 0.00 2.02 -0.70 -3.48 112.91 107.91 3n59 h THR 122 Ca -0.45 -1.00 -0.12 0.00 0.77 0.00 0.00 66.41 65.61 3n59 h THR 122 Cb 1.21 1.80 -0.12 0.00 -1.74 0.00 0.00 68.15 69.30 3n59 h THR 122 CO 0.58 0.24 -0.32 -0.83 0.37 0.00 0.00 175.52 175.56 3n59 s GLY 123 N -3.07 0.80 -0.05 2.16 0.00 -1.15 -5.04 107.32 100.98 3n59 s GLY 123 Ca -0.15 -1.13 -0.00 0.00 0.00 0.00 0.00 44.72 43.43 3n59 s GLY 123 CO 0.62 -0.91 -0.01 0.14 0.00 0.00 0.00 173.10 172.94 3n59 s VAL 124 N -4.05 0.36 -0.15 1.40 1.01 -1.26 -1.31 120.40 116.40 3n59 s VAL 124 Ca 0.26 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.28 3n59 s VAL 124 Cb 0.03 -0.47 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 3n59 s VAL 124 CO 0.08 0.22 -0.11 -0.63 0.00 0.00 0.00 175.10 174.66 3n59 s ILE 125 N 1.41 3.16 -0.01 2.22 1.01 0.24 -4.97 121.20 124.25 3n59 s ILE 125 Ca -0.04 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.01 3n59 s ILE 125 Cb -0.13 -2.35 0.01 0.00 0.01 0.00 0.00 42.46 39.99 3n59 s ILE 125 CO -0.03 0.50 -0.01 -0.69 0.00 0.00 0.00 174.94 174.72 3n59 s VAL 126 N 0.57 0.16 0.00 2.92 1.01 -1.26 -0.95 120.40 122.86 3n59 s VAL 126 Ca -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.89 3n59 s VAL 126 Cb -0.15 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 36.04 3n59 s VAL 126 CO 0.03 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.82 3n59 n GLY 127 N 3.42 0.53 1.81 4.51 0.00 -0.79 -4.81 105.19 109.87 3n59 n GLY 127 Ca -0.18 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.91 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 5.47 0.00 0.99 4.77 -1.23 -4.60 117.00 122.40 3n59 n LEU 128 Ca 0.00 -2.78 0.00 0.00 -0.03 0.00 0.00 56.01 53.20 3n59 n LEU 128 Cb 0.03 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 3n59 n LEU 128 CO 0.00 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3n59 n GLY 129 N 0.62 0.68 0.24 -0.72 0.00 -0.82 -3.38 105.19 101.80 3n59 n GLY 129 Ca 0.26 -0.74 0.05 0.00 0.00 0.00 0.00 46.02 45.58 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 1.12 0.00 -0.61 5.03 -1.95 -2.72 117.51 118.38 3n59 h ILE 130 Ca 0.00 -0.54 -0.00 0.00 -0.12 0.00 0.00 64.86 64.19 3n59 h ILE 130 Cb 0.00 1.18 -0.00 0.00 -3.03 0.00 0.00 36.82 34.97 3n59 h ILE 130 CO 0.00 0.17 -0.01 -0.61 -0.68 0.00 0.00 178.15 177.02 3n59 h GLN 131 N 0.12 0.00 -0.96 2.37 4.15 -1.98 -2.39 115.11 116.42 3n59 h GLN 131 Ca 0.03 0.00 0.17 0.00 0.77 0.00 0.00 58.65 59.61 3n59 h GLN 131 Cb 0.26 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 27.86 3n59 h GLN 131 CO 0.02 0.01 0.61 0.78 -1.93 0.00 0.00 178.83 178.31 3n59 h GLY 132 N 0.53 1.47 0.91 2.39 0.00 -1.52 0.94 103.07 107.79 3n59 h GLY 132 Ca -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 3n59 h GLY 132 CO 0.00 0.03 0.11 -0.97 0.00 0.00 0.00 176.54 175.71 3n59 h TYR 133 N 0.74 0.48 -0.15 5.60 -1.99 -1.65 -2.50 116.97 117.51 3n59 h TYR 133 Ca 0.51 -0.04 -0.13 0.00 2.00 0.00 0.00 58.73 61.07 3n59 h TYR 133 Cb 0.81 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 39.39 3n59 h TYR 133 CO -0.00 0.48 -0.48 -0.07 -0.00 0.00 0.00 178.16 178.09 3n59 h LEU 134 N 0.34 0.41 -0.84 3.88 3.38 -1.29 -2.02 115.31 119.17 3n59 h LEU 134 Ca 0.10 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 3n59 h LEU 134 Cb 0.22 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3n59 h LEU 134 CO -0.01 0.83 -0.39 -0.07 0.09 0.00 0.00 178.44 178.89 3n59 h LEU 135 N 0.31 0.00 -0.32 1.67 3.38 -0.91 -2.45 115.31 116.98 3n59 h LEU 135 Ca 0.02 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.79 3n59 h LEU 135 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3n59 h LEU 135 CO 0.08 0.39 -0.70 0.00 0.09 0.00 0.00 178.44 178.30 3n59 h ALA 136 N 1.61 0.49 -0.25 1.53 0.00 -1.05 -2.73 119.26 118.86 3n59 h ALA 136 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3n59 h ALA 136 Cb 0.95 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3n59 h ALA 136 CO 0.05 0.71 0.16 -0.07 0.00 0.00 0.00 179.25 180.10 3n59 h LEU 137 N 0.44 0.29 -1.57 0.00 3.38 -1.22 -2.64 115.31 114.00 3n59 h LEU 137 Ca -0.03 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3n59 h LEU 137 Cb 1.29 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 3n59 h LEU 137 CO 0.13 0.23 0.09 -0.09 0.09 0.00 0.00 178.44 178.89 3n59 h ARG 138 N 0.33 0.36 -0.35 1.13 2.43 -1.44 -0.20 114.38 116.65 3n59 h ARG 138 Ca 0.09 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 3n59 h ARG 138 Cb -0.01 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3n59 h ARG 138 CO -0.02 0.32 0.06 -0.92 -1.51 0.00 0.00 179.97 177.90 3n59 h TYR 139 N 0.37 0.61 0.00 2.20 3.20 -1.33 -3.13 116.97 118.88 3n59 h TYR 139 Ca 0.09 -0.08 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 3n59 h TYR 139 Cb 0.11 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 3n59 h TYR 139 CO 0.00 0.63 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.76 3n59 h LEU 140 N 0.41 0.00 -1.00 2.82 3.38 -0.90 -2.62 115.31 117.40 3n59 h LEU 140 Ca 0.11 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 3n59 h LEU 140 Cb 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3n59 h LEU 140 CO 0.01 0.32 -0.02 0.00 0.09 0.00 0.00 178.44 178.84 3n59 h ALA 141 N 1.68 1.17 -0.23 1.53 0.00 -1.05 -2.36 119.26 120.01 3n59 h ALA 141 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3n59 h ALA 141 Cb 0.73 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3n59 h ALA 141 CO 0.04 0.54 0.00 0.39 0.00 0.00 0.00 179.25 180.22 3n59 n GLU 142 N -4.22 1.68 0.00 0.00 4.71 -1.01 -5.11 120.64 116.68 3n59 n GLU 142 Ca 0.02 -1.04 0.00 0.00 -0.01 0.00 0.00 57.16 56.13 3n59 n GLU 142 Cb 0.29 -1.31 0.00 0.00 -1.01 0.00 0.00 31.44 29.41 3n59 n GLU 142 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94