#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 5.03 -0.15 1.96 1.01 -1.26 0.04 121.20 127.84 3n59 s ILE 4 Ca 0.00 0.37 -0.02 0.00 0.00 0.00 0.00 60.65 61.00 3n59 s ILE 4 Cb 0.00 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 3n59 s ILE 4 CO 0.00 -0.18 -0.09 -0.69 0.00 0.00 0.00 174.94 173.98 3n59 s VAL 5 N 2.36 3.34 -0.21 2.92 1.01 0.42 -4.15 120.40 126.09 3n59 s VAL 5 Ca 0.18 -0.55 -0.16 0.00 0.00 0.00 0.00 61.98 61.46 3n59 s VAL 5 Cb -0.15 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 3n59 s VAL 5 CO 0.13 0.51 0.39 0.20 0.00 0.00 0.00 175.10 176.33 3n59 s ASN 6 N 0.45 6.41 -0.32 3.32 0.01 -0.45 -1.56 114.94 122.80 3n59 s ASN 6 Ca -0.07 0.48 -0.07 0.00 -0.71 0.00 0.00 52.86 52.49 3n59 s ASN 6 Cb -0.15 -2.23 0.03 0.00 0.41 0.00 0.00 41.25 39.31 3n59 s ASN 6 CO 0.04 -0.09 0.10 -0.69 -1.51 0.00 0.00 177.10 174.95 3n59 s VAL 7 N 1.41 3.90 -0.19 1.60 1.01 -0.50 0.58 120.40 128.21 3n59 s VAL 7 Ca 0.18 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 3n59 s VAL 7 Cb -0.15 -3.12 -0.00 0.00 0.00 0.00 0.00 36.38 33.12 3n59 s VAL 7 CO 0.08 -0.06 -0.11 -0.63 0.00 0.00 0.00 175.10 174.38 3n59 s ILE 8 N 1.45 2.91 -0.13 2.22 1.01 0.75 -1.20 121.20 128.21 3n59 s ILE 8 Ca 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 59.97 3n59 s ILE 8 Cb -0.18 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 3n59 s ILE 8 CO 0.03 0.48 -0.06 0.20 0.00 0.00 0.00 174.94 175.58 3n59 s ASN 9 N 1.23 4.64 0.02 3.58 0.01 0.42 -1.39 114.94 123.46 3n59 s ASN 9 Ca 0.03 -0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.04 3n59 s ASN 9 Cb -0.14 -1.64 0.00 0.00 0.41 0.00 0.00 41.25 39.88 3n59 s ASN 9 CO -0.05 0.21 0.00 0.61 -1.51 0.00 0.00 177.10 176.36 3n59 n GLY 10 N 3.28 0.30 3.65 0.66 0.00 0.20 -1.68 105.19 111.60 3n59 n GLY 10 Ca -0.18 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 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 -0.04 1.76 -0.13 1.61 -0.02 -1.08 -2.90 135.00 134.19 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 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 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 0.93 0.00 0.05 2.55 5.03 -1.26 -4.59 115.26 117.96 3n59 n ASN 12 Ca 0.07 0.00 0.13 0.00 0.87 0.00 0.00 54.58 55.65 3n59 n ASN 12 Cb 0.35 -0.47 0.52 0.00 -1.02 0.00 0.00 39.78 39.16 3n59 n ASN 12 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3n59 n LEU 13 N 0.00 0.36 0.04 3.41 4.77 -1.14 -1.92 117.00 122.52 3n59 n LEU 13 Ca 0.00 0.54 0.11 0.00 -0.03 0.00 0.00 56.01 56.62 3n59 n LEU 13 Cb 0.00 -0.43 0.44 0.00 -2.33 0.00 0.00 43.42 41.11 3n59 n LEU 13 CO 0.00 -0.10 0.84 0.61 -1.33 0.00 0.00 177.39 177.41 3n59 n GLY 14 N 1.34 -1.29 1.22 -0.72 0.00 -1.26 -3.26 105.19 101.21 3n59 n GLY 14 Ca 0.06 -0.03 0.09 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 -1.75 2.79 -1.77 1.61 5.12 -0.81 -4.65 116.66 117.21 3n59 n ARG 15 Ca 0.04 -2.22 -0.42 0.00 -1.93 0.00 0.00 57.85 53.33 3n59 n ARG 15 Cb 0.26 -1.62 -0.02 0.00 -1.16 0.00 0.00 32.46 29.93 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 -1.29 4.34 0.00 0.55 1.43 -1.20 -2.20 118.68 120.31 3n59 s LEU 16 Ca 0.40 2.95 0.00 0.00 -1.03 0.00 0.00 54.13 56.46 3n59 s LEU 16 Cb 0.24 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.82 3n59 s LEU 16 CO 0.23 -0.92 0.00 0.61 0.23 0.00 0.00 176.35 176.50 3n59 n GLY 17 N 2.27 2.86 1.48 -3.19 0.00 -1.10 -3.94 105.19 103.57 3n59 n GLY 17 Ca 0.09 -0.73 -0.06 0.00 0.00 0.00 0.00 46.02 45.32 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 1.30 0.00 1.61 0.00 -0.93 -4.64 116.66 114.00 3n59 n ARG 18 Ca 0.00 -0.65 0.00 0.00 -0.00 0.00 0.00 57.85 57.20 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 0.61 0.00 0.56 2.89 0.00 -1.26 -5.14 105.19 102.85 3n59 n GLY 25 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 1.45 3.66 -0.02 0.00 -1.26 -4.82 105.19 104.20 3n59 n GLY 26 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.87 4.70 0.68 2.61 2.01 -1.26 -4.72 115.64 118.79 3n59 s THR 27 Ca 0.00 2.00 -0.11 0.00 0.31 0.00 0.00 61.69 63.89 3n59 s THR 27 Cb 0.00 -4.30 -0.00 0.00 0.01 0.00 0.00 72.50 68.21 3n59 s THR 27 CO 0.00 -0.16 1.08 0.42 -0.69 0.00 0.00 174.62 175.26 3n59 s THR 28 N 3.10 3.84 0.36 -0.82 -4.23 -1.26 -2.69 115.64 113.94 3n59 s THR 28 Ca 0.44 0.59 0.10 0.00 -1.18 0.00 0.00 61.69 61.63 3n59 s THR 28 Cb -0.15 -3.59 0.11 0.00 1.34 0.00 0.00 72.50 70.21 3n59 s THR 28 CO 0.07 -0.77 1.84 -0.74 -0.54 0.00 0.00 174.62 174.47 3n59 h HIS 29 N -0.55 0.16 -0.47 3.99 2.76 -1.83 -0.06 115.15 119.15 3n59 h HIS 29 Ca -0.45 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 57.68 3n59 h HIS 29 Cb 1.24 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 30.13 3n59 h HIS 29 CO 0.55 0.42 0.24 -0.44 -1.30 0.00 0.00 177.93 177.39 3n59 h ASP 30 N 0.14 0.61 -0.40 3.26 3.32 -1.93 -0.48 116.42 120.94 3n59 h ASP 30 Ca 0.02 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 56.86 3n59 h ASP 30 Cb 0.57 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 3n59 h ASP 30 CO 0.04 0.56 -0.08 -0.33 -1.72 0.00 0.00 179.24 177.71 3n59 h GLU 31 N 0.62 0.83 -0.50 3.56 5.08 -1.82 -1.98 114.58 120.37 3n59 h GLU 31 Ca 0.16 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3n59 h GLU 31 Cb 0.10 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3n59 h GLU 31 CO -0.02 0.88 0.24 1.25 -1.00 0.00 0.00 179.01 180.36 3n59 h LEU 32 N 0.76 0.66 -0.43 1.33 5.85 -0.80 0.16 115.31 122.82 3n59 h LEU 32 Ca 0.13 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3n59 h LEU 32 Cb 0.57 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 3n59 h LEU 32 CO 0.03 0.60 0.25 0.58 -0.34 0.00 0.00 178.44 179.57 3n59 h VAL 33 N 0.67 1.04 -0.25 1.05 2.07 -0.93 -1.39 116.25 118.50 3n59 h VAL 33 Ca 0.17 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3n59 h VAL 33 Cb 0.12 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3n59 h VAL 33 CO -0.02 0.09 0.16 0.00 0.02 0.00 0.00 177.57 177.82 3n59 h ALA 34 N 1.20 0.32 -0.49 1.67 0.00 -1.06 -1.18 119.26 119.72 3n59 h ALA 34 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3n59 h ALA 34 Cb 0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3n59 h ALA 34 CO -0.09 -0.20 0.31 -0.07 0.00 0.00 0.00 179.25 179.21 3n59 h LEU 35 N 0.33 0.58 -0.11 0.00 3.38 -0.81 -0.58 115.31 118.10 3n59 h LEU 35 Ca 0.09 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3n59 h LEU 35 Cb -0.02 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3n59 h LEU 35 CO -0.02 0.44 0.04 0.40 0.09 0.00 0.00 178.44 179.39 3n59 h ILE 36 N 0.66 1.15 -0.56 1.22 2.04 -1.12 -0.56 117.51 120.34 3n59 h ILE 36 Ca 0.18 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 3n59 h ILE 36 Cb -0.04 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 3n59 h ILE 36 CO -0.04 0.13 0.33 -0.33 0.00 0.00 0.00 178.15 178.25 3n59 h GLU 37 N 0.01 0.75 -0.20 2.37 5.08 -1.12 0.54 114.58 122.01 3n59 h GLU 37 Ca 0.04 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3n59 h GLU 37 Cb 0.18 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3n59 h GLU 37 CO -0.00 0.53 0.02 -0.09 -1.00 0.00 0.00 179.01 178.47 3n59 h ARG 38 N 0.77 0.34 -0.47 2.33 2.43 -0.86 -2.43 114.38 116.49 3n59 h ARG 38 Ca 0.20 -0.10 -0.10 0.00 -0.81 0.00 0.00 59.98 59.17 3n59 h ARG 38 Cb -0.02 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 3n59 h ARG 38 CO -0.04 0.52 -0.11 1.49 -1.51 0.00 0.00 179.97 180.32 3n59 h GLU 39 N 0.12 0.86 -0.66 0.20 4.57 -0.65 -2.60 114.58 116.42 3n59 h GLU 39 Ca 0.06 -0.30 -0.04 0.00 -1.18 0.00 0.00 59.36 57.90 3n59 h GLU 39 Cb 0.35 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.85 3n59 h GLU 39 CO 0.01 0.93 0.25 0.00 -1.18 0.00 0.00 179.01 179.01 3n59 h ALA 40 N 1.09 1.19 -0.49 2.92 0.00 -0.92 -2.35 119.26 120.72 3n59 h ALA 40 Ca 0.13 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3n59 h ALA 40 Cb 0.63 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3n59 h ALA 40 CO 0.04 0.58 0.04 0.00 0.00 0.00 0.00 179.25 179.91 3n59 h ALA 41 N 1.31 1.15 -0.06 0.00 0.00 -1.14 0.49 119.26 121.01 3n59 h ALA 41 Ca 0.22 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3n59 h ALA 41 Cb 0.21 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3n59 h ALA 41 CO -0.02 0.55 -0.50 0.93 0.00 0.00 0.00 179.25 180.22 3n59 h GLU 42 N 0.74 0.16 -0.01 0.00 5.08 -1.16 -3.13 114.58 116.26 3n59 h GLU 42 Ca 0.15 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3n59 h GLU 42 Cb 0.40 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3n59 h GLU 42 CO 0.01 0.63 -0.28 1.28 -1.00 0.00 0.00 179.01 179.65 3n59 n LEU 43 N -3.95 1.28 -0.56 1.33 4.77 -0.91 -4.95 117.00 114.00 3n59 n LEU 43 Ca -0.02 -0.38 -0.01 0.00 -0.03 0.00 0.00 56.01 55.56 3n59 n LEU 43 Cb 0.53 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3n59 n LEU 43 CO 0.42 0.24 0.01 0.61 -1.33 0.00 0.00 177.39 177.34 3n59 n GLY 44 N 1.35 0.74 3.33 -0.72 0.00 -0.55 -4.99 105.19 104.34 3n59 n GLY 44 Ca 0.12 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.15 2.55 -0.19 0.99 1.43 0.16 -4.84 118.68 117.63 3n59 s LEU 45 Ca 0.03 -1.02 -0.04 0.00 -1.03 0.00 0.00 54.13 52.07 3n59 s LEU 45 Cb -0.01 -0.61 -0.02 0.00 0.03 0.00 0.00 46.19 45.57 3n59 s LEU 45 CO 0.03 -0.20 -0.03 -0.75 0.23 0.00 0.00 176.35 175.64 3n59 s LYS 46 N -3.65 3.56 -0.22 1.70 2.20 0.11 -3.65 119.74 119.78 3n59 s LYS 46 Ca 0.21 -0.56 -0.05 0.00 -0.36 0.00 0.00 55.97 55.22 3n59 s LYS 46 Cb -0.00 -2.98 -0.02 0.00 -1.51 0.00 0.00 37.83 33.32 3n59 s LYS 46 CO 0.06 0.04 -0.01 0.00 -0.36 0.00 0.00 175.35 175.08 3n59 s ALA 47 N 0.88 2.93 -0.46 3.13 0.00 -1.26 -0.44 121.76 126.55 3n59 s ALA 47 Ca -0.00 -1.11 -0.15 0.00 0.00 0.00 0.00 51.96 50.69 3n59 s ALA 47 Cb -0.14 -1.79 0.06 0.00 0.00 0.00 0.00 23.12 21.25 3n59 s ALA 47 CO 0.01 -0.37 0.37 0.08 0.00 0.00 0.00 175.76 175.86 3n59 s VAL 48 N 1.38 5.17 -0.21 0.00 1.01 -0.60 -4.84 120.40 122.30 3n59 s VAL 48 Ca 0.05 -1.01 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 3n59 s VAL 48 Cb -0.15 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 3n59 s VAL 48 CO -0.00 -0.52 0.15 -0.69 0.00 0.00 0.00 175.10 174.03 3n59 s VAL 49 N 1.63 5.39 -0.00 2.92 1.01 -1.26 -1.41 120.40 128.68 3n59 s VAL 49 Ca 0.04 0.20 -0.00 0.00 0.00 0.00 0.00 61.98 62.22 3n59 s VAL 49 Cb -0.23 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.66 3n59 s VAL 49 CO 0.07 0.40 0.01 -0.13 0.00 0.00 0.00 175.10 175.45 3n59 s ARG 50 N 0.62 0.02 -0.00 2.72 0.52 -0.34 -5.00 118.95 117.49 3n59 s ARG 50 Ca 0.08 -0.01 0.06 0.00 -0.52 0.00 0.00 55.73 55.35 3n59 s ARG 50 Cb -0.12 0.01 -0.02 0.00 0.52 0.00 0.00 34.95 35.34 3n59 s ARG 50 CO 0.01 -0.00 -0.20 -1.14 0.02 0.00 0.00 175.30 173.98 3n59 s GLN 51 N -0.04 1.61 -0.07 3.54 -0.44 -1.26 -0.44 119.66 122.56 3n59 s GLN 51 Ca -0.01 -0.77 -0.20 0.00 -2.50 0.00 0.00 55.36 51.89 3n59 s GLN 51 Cb -0.00 -1.59 0.04 0.00 -1.64 0.00 0.00 33.01 29.82 3n59 s GLN 51 CO -0.00 0.43 0.46 0.45 0.50 0.00 0.00 175.29 177.13 3n59 s SER 52 N -0.61 -0.40 0.00 6.67 0.15 -0.67 -4.98 113.70 113.85 3n59 s SER 52 Ca 0.08 0.50 0.25 0.00 0.70 0.00 0.00 55.95 57.48 3n59 s SER 52 Cb -0.08 0.56 0.52 0.00 -1.71 0.00 0.00 66.02 65.32 3n59 s SER 52 CO -0.00 -0.41 1.42 0.47 1.20 0.00 0.00 173.24 175.92 3n59 n ASP 53 N 1.61 1.00 -4.63 5.45 8.00 -1.26 -2.65 116.55 124.08 3n59 n ASP 53 Ca -0.19 -0.80 -0.39 0.00 0.71 0.00 0.00 54.79 54.13 3n59 n ASP 53 Cb 0.56 0.27 -0.09 0.00 -0.02 0.00 0.00 41.12 41.85 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 -2.67 6.31 0.22 -2.24 0.15 -1.26 -4.68 113.70 109.52 3n59 s SER 54 Ca 0.19 0.36 -0.09 0.00 0.70 0.00 0.00 55.95 57.11 3n59 s SER 54 Cb 0.18 -2.21 0.25 0.00 -1.71 0.00 0.00 66.02 62.53 3n59 s SER 54 CO 0.60 -0.14 1.82 -0.08 1.20 0.00 0.00 173.24 176.64 3n59 h GLU 55 N 7.89 0.73 -0.85 5.44 4.81 -2.00 -2.38 114.58 128.23 3n59 h GLU 55 Ca -0.33 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 58.89 3n59 h GLU 55 Cb 1.16 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.32 3n59 h GLU 55 CO 0.67 0.49 0.54 0.00 -0.73 0.00 0.00 179.01 179.98 3n59 h ALA 56 N 1.35 1.12 -0.67 2.92 0.00 -1.99 -0.66 119.26 121.32 3n59 h ALA 56 Ca 0.31 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 3n59 h ALA 56 Cb 0.17 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3n59 h ALA 56 CO -0.17 0.38 0.18 0.37 0.00 0.00 0.00 179.25 180.01 3n59 h GLN 57 N 1.06 1.07 -0.64 0.00 5.75 -1.89 -1.91 115.11 118.56 3n59 h GLN 57 Ca 0.34 -0.25 -0.08 0.00 -0.15 0.00 0.00 58.65 58.52 3n59 h GLN 57 Cb 0.01 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 3n59 h GLN 57 CO -0.12 0.94 0.10 -0.07 -2.65 0.00 0.00 178.83 177.04 3n59 h LEU 58 N 1.00 1.01 -0.59 -2.39 3.38 -0.92 -2.10 115.31 114.70 3n59 h LEU 58 Ca 0.21 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3n59 h LEU 58 Cb 0.34 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3n59 h LEU 58 CO -0.00 1.01 0.38 -0.07 0.09 0.00 0.00 178.44 179.85 3n59 h LEU 59 N 0.97 0.69 -0.59 1.67 3.38 -0.96 -0.91 115.31 119.56 3n59 h LEU 59 Ca 0.19 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.19 3n59 h LEU 59 Cb 0.43 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3n59 h LEU 59 CO 0.01 0.52 0.30 -0.78 0.09 0.00 0.00 178.44 178.58 3n59 h ASP 60 N 0.80 0.43 -0.38 -0.43 3.58 -1.12 -0.67 116.42 118.62 3n59 h ASP 60 Ca 0.21 0.03 -0.10 0.00 0.42 0.00 0.00 57.03 57.60 3n59 h ASP 60 Cb -0.07 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 3n59 h ASP 60 CO -0.04 0.28 -0.14 -0.50 -2.88 0.00 0.00 179.24 175.96 3n59 h TRP 61 N 0.57 0.94 -0.40 0.28 6.55 -0.96 -2.02 115.95 120.91 3n59 h TRP 61 Ca 0.27 -0.19 -0.02 0.00 0.95 0.00 0.00 58.89 59.90 3n59 h TRP 61 Cb 0.18 -0.23 -0.02 0.00 -0.86 0.00 0.00 29.16 28.23 3n59 h TRP 61 CO -0.10 0.92 0.18 0.82 -1.05 0.00 0.00 178.44 179.21 3n59 h ILE 62 N 0.75 1.18 -0.58 1.49 1.08 -0.77 -1.78 117.51 118.90 3n59 h ILE 62 Ca 0.12 -0.55 0.07 0.00 -0.39 0.00 0.00 64.86 64.11 3n59 h ILE 62 Cb 0.65 0.80 -0.06 0.00 -3.07 0.00 0.00 36.82 35.14 3n59 h ILE 62 CO 0.05 0.20 0.26 0.45 -0.69 0.00 0.00 178.15 178.42 3n59 h HIS 63 N 0.51 0.47 -0.44 1.37 3.86 -0.93 0.11 115.15 120.10 3n59 h HIS 63 Ca 0.14 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.37 3n59 h HIS 63 Cb 0.15 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 3n59 h HIS 63 CO -0.01 0.18 0.27 1.96 0.86 0.00 0.00 177.93 181.19 3n59 h GLN 64 N 0.48 0.59 -0.90 2.45 4.20 -1.17 -0.57 115.11 120.21 3n59 h GLN 64 Ca 0.27 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 3n59 h GLN 64 Cb 0.26 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 3n59 h GLN 64 CO -0.23 0.44 0.51 0.00 -0.67 0.00 0.00 178.83 178.87 3n59 h ALA 65 N 1.12 1.20 -0.44 3.87 0.00 -0.89 -1.00 119.26 123.13 3n59 h ALA 65 Ca 0.16 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3n59 h ALA 65 Cb -0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 3n59 h ALA 65 CO -0.03 0.65 0.20 0.00 0.00 0.00 0.00 179.25 180.07 3n59 h ALA 66 N 1.31 0.57 0.00 0.00 0.00 -0.51 0.21 119.26 120.83 3n59 h ALA 66 Ca 0.32 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3n59 h ALA 66 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3n59 h ALA 66 CO -0.05 0.15 -0.38 -0.44 0.00 0.00 0.00 179.25 178.52 3n59 h ASP 67 N 0.57 0.00 0.05 0.00 3.32 -0.83 -2.89 116.42 116.64 3n59 h ASP 67 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3n59 h ASP 67 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3n59 h ASP 67 CO -0.02 0.38 -0.22 0.00 -1.72 0.00 0.00 179.24 177.66 3n59 n ALA 68 N -2.39 3.01 -3.92 3.45 0.00 -0.40 -4.97 120.51 115.28 3n59 n ALA 68 Ca -0.01 -0.55 -0.29 0.00 0.00 0.00 0.00 53.44 52.59 3n59 n ALA 68 Cb 0.45 -0.96 0.02 0.00 0.00 0.00 0.00 19.45 18.95 3n59 n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3n59 n ALA 69 N 0.14 -1.48 -2.81 0.00 0.00 -0.04 -4.99 120.51 111.34 3n59 n ALA 69 Ca 0.13 0.06 -0.35 0.00 0.00 0.00 0.00 53.44 53.28 3n59 n ALA 69 Cb 0.44 -3.65 -0.07 0.00 0.00 0.00 0.00 19.45 16.17 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 -6.54 3.22 0.59 0.00 2.02 -0.61 -4.63 118.70 112.75 3n59 s GLU 70 Ca 0.50 -0.32 -0.19 0.00 0.02 0.00 0.00 54.97 54.98 3n59 s GLU 70 Cb -0.25 -2.99 -0.04 0.00 0.10 0.00 0.00 34.13 30.95 3n59 s GLU 70 CO 0.84 0.71 1.20 -2.14 0.02 0.00 0.00 175.26 175.90 3n59 s PRO 71 N -1.30 3.03 -0.07 0.39 0.02 -1.26 -4.70 135.00 131.11 3n59 s PRO 71 Ca 0.18 1.80 0.04 0.00 0.02 0.00 0.00 61.00 63.04 3n59 s PRO 71 Cb -0.12 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.46 3n59 s PRO 71 CO 0.08 -1.16 -0.18 0.08 -0.33 0.00 0.00 177.00 175.49 3n59 s VAL 72 N -1.61 1.58 -0.29 3.83 1.01 -0.80 -1.34 120.40 122.78 3n59 s VAL 72 Ca 0.77 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.91 3n59 s VAL 72 Cb -0.30 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 3n59 s VAL 72 CO 0.32 0.45 0.12 -0.63 0.00 0.00 0.00 175.10 175.37 3n59 s ILE 73 N 0.36 4.46 -0.15 2.22 1.01 0.20 -0.76 121.20 128.54 3n59 s ILE 73 Ca -0.13 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.14 3n59 s ILE 73 Cb -0.15 -3.23 0.02 0.00 0.01 0.00 0.00 42.46 39.10 3n59 s ILE 73 CO 0.05 0.13 -0.19 -0.22 0.00 0.00 0.00 174.94 174.72 3n59 s LEU 74 N 1.60 1.96 -0.39 2.97 2.96 0.14 -0.18 118.68 127.75 3n59 s LEU 74 Ca 0.05 -0.56 0.01 0.00 -0.22 0.00 0.00 54.13 53.41 3n59 s LEU 74 Cb -0.17 -1.34 0.11 0.00 0.50 0.00 0.00 46.19 45.30 3n59 s LEU 74 CO 0.05 0.02 0.14 0.21 -1.32 0.00 0.00 176.35 175.45 3n59 s ASN 75 N 1.09 4.92 0.00 3.68 3.84 -0.49 -0.49 114.94 127.49 3n59 s ASN 75 Ca -0.02 -2.22 0.28 0.00 0.21 0.00 0.00 52.86 51.12 3n59 s ASN 75 Cb -0.14 -1.71 1.16 0.00 -0.55 0.00 0.00 41.25 40.01 3n59 s ASN 75 CO -0.06 -0.42 1.82 0.00 -2.79 0.00 0.00 177.10 175.65 3n59 n ALA 76 N 4.24 2.79 -0.77 1.71 0.00 -1.26 0.62 120.51 127.84 3n59 n ALA 76 Ca 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3n59 n ALA 76 Cb 0.41 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 1.31 2.89 0.27 0.00 0.00 -1.26 -2.39 105.19 106.01 3n59 n GLY 77 Ca 0.13 -0.23 0.18 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.78 103.07 100.32 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 -0.94 3.11 3.38 -1.86 -3.04 115.31 115.96 3n59 h LEU 79 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3n59 h LEU 79 Cb 0.39 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 3n59 h LEU 79 CO 0.00 0.00 0.60 0.74 0.09 0.00 0.00 178.44 179.87 3n59 h THR 80 N 0.00 1.05 -0.00 0.22 2.02 -1.64 -0.86 112.91 113.70 3n59 h THR 80 Ca 0.00 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.81 3n59 h THR 80 Cb 0.55 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 3n59 h THR 80 CO 0.00 0.20 -0.65 1.41 0.37 0.00 0.00 175.52 176.84 3n59 n HIS 81 N -4.57 0.00 0.00 3.16 8.25 -1.15 -1.17 115.22 119.75 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 0.20 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.16 3n59 n HIS 81 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3n59 n THR 82 N -1.37 0.00 -3.45 1.59 -2.24 -1.10 -4.80 114.28 102.92 3n59 n THR 82 Ca 0.06 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.41 3n59 n THR 82 Cb 0.34 -0.40 -0.10 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 -2.26 6.12 0.09 3.42 0.15 -0.35 -4.90 113.70 115.98 3n59 s SER 83 Ca 0.00 -0.81 0.00 0.00 0.70 0.00 0.00 55.95 55.85 3n59 s SER 83 Cb 0.00 -2.17 -0.25 0.00 -1.71 0.00 0.00 66.02 61.89 3n59 s SER 83 CO 0.00 -0.44 1.20 0.58 1.20 0.00 0.00 173.24 175.77 3n59 h VAL 84 N 5.63 1.59 -0.55 4.45 2.07 -1.96 -3.10 116.25 124.38 3n59 h VAL 84 Ca -0.27 -3.22 0.07 0.00 0.82 0.00 0.00 66.70 64.09 3n59 h VAL 84 Cb 1.12 2.91 -0.06 0.00 -1.52 0.00 0.00 31.29 33.74 3n59 h VAL 84 CO 0.73 0.93 0.23 0.00 0.02 0.00 0.00 177.57 179.48 3n59 h ALA 85 N 0.76 0.70 -0.23 1.67 0.00 -1.98 -0.03 119.26 120.15 3n59 h ALA 85 Ca -0.08 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3n59 h ALA 85 Cb 1.89 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 3n59 h ALA 85 CO 0.17 -0.15 -0.28 1.25 0.00 0.00 0.00 179.25 180.24 3n59 h LEU 86 N 0.44 0.46 -0.28 0.00 5.85 -1.94 -1.97 115.31 117.86 3n59 h LEU 86 Ca 0.26 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3n59 h LEU 86 Cb 0.25 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3n59 h LEU 86 CO -0.23 0.73 0.12 -0.09 -0.34 0.00 0.00 178.44 178.62 3n59 h ARG 87 N 0.40 0.41 -0.26 1.25 2.43 -1.30 -1.68 114.38 115.63 3n59 h ARG 87 Ca 0.05 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.07 3n59 h ARG 87 Cb 0.70 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 3n59 h ARG 87 CO 0.05 0.43 -0.18 -0.44 -1.51 0.00 0.00 179.97 178.32 3n59 h ASP 88 N 0.30 0.45 -0.17 -3.80 3.32 -0.88 -0.90 116.42 114.75 3n59 h ASP 88 Ca 0.09 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 3n59 h ASP 88 Cb 0.17 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 3n59 h ASP 88 CO -0.01 0.65 -0.10 0.00 -1.72 0.00 0.00 179.24 178.06 3n59 h ALA 89 N 1.39 0.24 0.00 3.45 0.00 -1.28 -3.11 119.26 119.95 3n59 h ALA 89 Ca 0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3n59 h ALA 89 Cb 0.56 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3n59 h ALA 89 CO 0.04 0.07 -0.10 0.00 0.00 0.00 0.00 179.25 179.26 3n59 h ALA 91 N 1.90 1.35 0.00 0.00 0.00 -1.09 -2.78 119.26 118.65 3n59 h ALA 91 Ca -0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3n59 h ALA 91 Cb 0.40 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3n59 h ALA 91 CO 0.01 0.22 -0.26 0.93 0.00 0.00 0.00 179.25 180.16 3n59 h GLU 92 N 0.00 0.00 -6.60 0.00 5.08 -1.49 -3.45 114.58 108.12 3n59 h GLU 92 Ca -0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.83 3n59 h GLU 92 Cb 0.41 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.72 3n59 h GLU 92 CO 0.02 0.26 1.05 1.28 -1.00 0.00 0.00 179.01 180.62 3n59 n LEU 93 N -3.66 4.02 -0.05 1.33 4.77 -1.05 -4.90 117.00 117.46 3n59 n LEU 93 Ca -0.01 1.03 -0.09 0.00 -0.03 0.00 0.00 56.01 56.92 3n59 n LEU 93 Cb 0.38 -1.57 -0.15 0.00 -2.33 0.00 0.00 43.42 39.75 3n59 n LEU 93 CO 0.34 0.18 -0.76 -1.54 -1.33 0.00 0.00 177.39 174.28 3n59 n SER 94 N 4.58 0.52 -4.86 -1.43 3.41 -1.26 -4.92 113.62 109.66 3n59 n SER 94 Ca 0.17 0.25 -0.31 0.00 -0.26 0.00 0.00 58.87 58.71 3n59 n SER 94 Cb 0.36 0.38 -0.01 0.00 -0.26 0.00 0.00 64.21 64.68 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 -2.58 3.12 0.56 7.33 0.00 -1.26 -5.02 121.76 123.90 3n59 s ALA 95 Ca -0.07 -0.01 -0.20 0.00 0.00 0.00 0.00 51.96 51.69 3n59 s ALA 95 Cb 0.07 -3.05 -0.06 0.00 0.00 0.00 0.00 23.12 20.09 3n59 s ALA 95 CO 0.83 -0.44 1.04 -2.30 0.00 0.00 0.00 175.76 174.88 3n59 n PRO 96 N -2.15 1.11 -4.04 0.00 -0.02 -1.26 -4.77 135.00 123.87 3n59 n PRO 96 Ca 0.06 0.42 -0.27 0.00 -2.02 0.00 0.00 63.50 61.68 3n59 n PRO 96 Cb 0.54 -2.21 -0.17 0.00 -0.02 0.00 0.00 33.50 31.64 3n59 n PRO 96 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3n59 s LEU 97 N -1.98 1.37 -0.26 2.45 2.96 -1.26 -1.90 118.68 120.06 3n59 s LEU 97 Ca 0.73 -0.35 -0.04 0.00 -0.22 0.00 0.00 54.13 54.25 3n59 s LEU 97 Cb -0.44 -0.93 0.01 0.00 0.50 0.00 0.00 46.19 45.34 3n59 s LEU 97 CO 0.49 -0.08 0.00 -0.63 -1.32 0.00 0.00 176.35 174.82 3n59 s ILE 98 N 1.51 3.43 0.06 6.68 1.01 0.06 -0.11 121.20 133.83 3n59 s ILE 98 Ca 0.02 -0.81 -0.30 0.00 0.00 0.00 0.00 60.65 59.57 3n59 s ILE 98 Cb -0.13 -2.73 -0.05 0.00 0.01 0.00 0.00 42.46 39.56 3n59 s ILE 98 CO -0.07 0.18 1.00 -0.70 0.00 0.00 0.00 174.94 175.34 3n59 s GLU 99 N 1.42 4.60 -0.05 2.79 2.12 -0.26 -0.68 118.70 128.65 3n59 s GLU 99 Ca 0.02 1.48 0.04 0.00 0.36 0.00 0.00 54.97 56.87 3n59 s GLU 99 Cb -0.17 -3.41 0.00 0.00 0.26 0.00 0.00 34.13 30.82 3n59 s GLU 99 CO -0.01 0.03 -0.15 0.08 -0.54 0.00 0.00 175.26 174.67 3n59 s VAL 100 N 0.57 1.29 -0.05 3.70 1.01 0.36 -0.44 120.40 126.85 3n59 s VAL 100 Ca 0.51 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.89 3n59 s VAL 100 Cb -0.23 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.03 3n59 s VAL 100 CO 0.29 0.38 -0.13 -1.00 0.00 0.00 0.00 175.10 174.64 3n59 s HIS 101 N 0.20 1.41 -0.05 5.22 3.76 0.22 -4.21 115.29 121.83 3n59 s HIS 101 Ca -0.06 -0.43 -0.26 0.00 -0.15 0.00 0.00 55.06 54.15 3n59 s HIS 101 Cb -0.12 -0.99 -0.22 0.00 1.11 0.00 0.00 32.58 32.36 3n59 s HIS 101 CO 0.02 -0.19 1.12 0.82 -0.85 0.00 0.00 174.74 175.67 3n59 h ILE 102 N 5.55 1.51 -3.73 0.60 2.04 -1.86 -1.81 117.51 119.80 3n59 h ILE 102 Ca -0.32 -1.56 -0.50 0.00 1.00 0.00 0.00 64.86 63.49 3n59 h ILE 102 Cb 1.18 2.53 0.03 0.00 -0.74 0.00 0.00 36.82 39.82 3n59 h ILE 102 CO 0.48 0.41 0.17 -0.94 0.00 0.00 0.00 178.15 178.26 3n59 s SER 103 N -5.93 6.32 -0.62 1.72 1.04 -1.26 -2.02 113.70 112.95 3n59 s SER 103 Ca -0.17 1.06 -0.27 0.00 0.48 0.00 0.00 55.95 57.06 3n59 s SER 103 Cb 0.01 -2.30 0.00 0.00 0.10 0.00 0.00 66.02 63.83 3n59 s SER 103 CO 0.69 -0.59 1.57 0.21 0.98 0.00 0.00 173.24 176.11 3n59 s ASN 104 N -3.89 5.79 0.46 7.02 3.84 -1.26 -2.42 114.94 124.47 3n59 s ASN 104 Ca 0.50 0.14 0.31 0.00 0.21 0.00 0.00 52.86 54.02 3n59 s ASN 104 Cb -0.10 -2.54 1.44 0.00 -0.55 0.00 0.00 41.25 39.49 3n59 s ASN 104 CO 0.43 -2.01 1.94 1.62 -2.79 0.00 0.00 177.10 176.29 3n59 h VAL 105 N 6.50 0.00 0.00 -5.21 3.04 -1.93 -2.44 116.25 116.21 3n59 h VAL 105 Ca -0.27 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 3n59 h VAL 105 Cb 1.11 1.12 0.00 0.00 -2.01 0.00 0.00 31.29 31.51 3n59 h VAL 105 CO 1.22 0.00 -0.49 1.41 -1.01 0.00 0.00 177.57 178.70 3n59 n HIS 106 N -2.73 0.10 0.71 3.17 8.25 -1.26 -3.63 115.22 119.82 3n59 n HIS 106 Ca 0.00 0.03 0.11 0.00 -0.26 0.00 0.00 57.72 57.60 3n59 n HIS 106 Cb 0.20 -0.34 0.27 0.00 1.12 0.00 0.00 29.99 31.24 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 -1.56 2.46 -2.61 -1.41 0.00 -0.92 -4.93 120.51 111.54 3n59 n ALA 107 Ca 0.05 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.70 3n59 n ALA 107 Cb 0.35 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 1.01 3.79 -1.81 0.00 1.74 -1.24 -5.10 116.66 115.05 3n59 n ARG 108 Ca 0.18 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.92 3n59 n ARG 108 Cb 0.49 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.98 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 3.25 2.78 0.41 5.56 8.01 -1.26 -4.94 118.70 132.50 3n59 s GLU 109 Ca 0.00 1.58 0.11 0.00 0.01 0.00 0.00 54.97 56.67 3n59 s GLU 109 Cb 0.00 -1.93 0.87 0.00 -4.31 0.00 0.00 34.13 28.76 3n59 s GLU 109 CO 0.00 -1.30 1.95 0.93 0.01 0.00 0.00 175.26 176.85 3n59 h GLU 110 N 0.30 0.16 0.00 1.61 4.39 -1.96 -2.63 114.58 116.45 3n59 h GLU 110 Ca -0.48 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.18 3n59 h GLU 110 Cb 1.27 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.89 3n59 h GLU 110 CO 0.54 0.30 -0.03 0.27 -1.16 0.00 0.00 179.01 178.92 3n59 h PHE 111 N 0.15 0.00 0.00 4.33 -5.15 -1.96 -1.99 116.94 112.33 3n59 h PHE 111 Ca 0.03 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.80 3n59 h PHE 111 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.50 3n59 h PHE 111 CO 0.00 0.03 0.00 0.00 -2.00 0.00 0.00 178.31 176.35 3n59 h ARG 112 N 0.00 0.00 0.00 6.09 3.08 -1.76 -3.28 114.38 118.51 3n59 h ARG 112 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3n59 h ARG 112 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3n59 h ARG 112 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.44 3n59 n ARG 113 N -2.52 0.97 -4.88 0.04 1.74 -0.75 -4.68 116.66 106.58 3n59 n ARG 113 Ca 0.05 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.80 3n59 n ARG 113 Cb 0.44 -1.42 -0.14 0.00 -1.02 0.00 0.00 32.46 30.32 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 -2.00 2.73 -0.08 -1.55 2.46 -1.24 -5.07 115.29 110.55 3n59 s HIS 114 Ca 0.39 -0.49 0.01 0.00 0.47 0.00 0.00 55.06 55.44 3n59 s HIS 114 Cb 0.18 -1.74 0.02 0.00 -0.13 0.00 0.00 32.58 30.90 3n59 s HIS 114 CO 0.30 -0.08 -0.11 0.45 -2.47 0.00 0.00 174.74 172.84 3n59 s SER 115 N -0.08 1.90 0.31 9.88 0.15 -1.26 -4.27 113.70 120.34 3n59 s SER 115 Ca -0.03 -0.30 0.26 0.00 0.70 0.00 0.00 55.95 56.58 3n59 s SER 115 Cb -0.14 -0.83 0.88 0.00 -1.71 0.00 0.00 66.02 64.22 3n59 s SER 115 CO 0.04 -0.02 1.76 1.88 1.20 0.00 0.00 173.24 178.10 3n59 h TYR 116 N 7.36 0.00 0.04 3.44 0.05 -1.45 -3.30 116.97 123.11 3n59 h TYR 116 Ca -0.31 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 58.15 3n59 h TYR 116 Cb 1.17 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.87 3n59 h TYR 116 CO 0.48 0.00 -1.82 1.28 -1.05 0.00 0.00 178.16 177.05 3n59 n LEU 117 N -2.51 1.47 -0.15 3.88 4.77 -1.26 -4.47 117.00 118.73 3n59 n LEU 117 Ca 0.03 0.34 -0.03 0.00 -0.03 0.00 0.00 56.01 56.32 3n59 n LEU 117 Cb 0.36 -0.27 0.04 0.00 -2.33 0.00 0.00 43.42 41.22 3n59 n LEU 117 CO 0.27 0.55 0.81 0.28 -1.33 0.00 0.00 177.39 177.97 3n59 h SER 118 N 0.02 -0.32 0.01 -1.43 0.02 -1.92 -1.28 113.55 108.65 3n59 h SER 118 Ca -0.34 0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3n59 h SER 118 Cb 2.03 0.25 -0.00 0.00 0.14 0.00 0.00 62.40 64.81 3n59 h SER 118 CO 0.08 -0.12 -0.01 -0.65 -1.14 0.00 0.00 176.83 174.99 3n59 h PRO 119 N 0.05 0.00 -0.01 3.45 0.11 -1.78 -2.69 132.00 131.14 3n59 h PRO 119 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 3n59 h PRO 119 Cb 0.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.47 3n59 h PRO 119 CO -0.44 0.01 -0.73 0.44 -0.21 0.00 0.00 178.00 177.07 3n59 n ILE 120 N -4.36 0.00 -2.09 4.15 -6.64 -0.96 -4.97 119.36 104.50 3n59 n ILE 120 Ca -0.03 -0.14 -0.32 0.00 -1.77 0.00 0.00 62.75 60.49 3n59 n ILE 120 Cb 0.10 1.09 0.00 0.00 -1.44 0.00 0.00 39.64 39.39 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 -2.63 2.86 0.03 -1.28 0.00 -0.52 -4.91 121.76 115.31 3n59 s ALA 121 Ca 0.11 0.26 -0.22 0.00 0.00 0.00 0.00 51.96 52.12 3n59 s ALA 121 Cb 0.15 -3.18 -0.15 0.00 0.00 0.00 0.00 23.12 19.95 3n59 s ALA 121 CO 0.69 -0.67 1.39 1.15 0.00 0.00 0.00 175.76 178.32 3n59 h THR 122 N 0.41 1.32 -3.77 0.00 2.02 -0.81 -3.48 112.91 108.59 3n59 h THR 122 Ca -0.46 -1.08 -0.09 0.00 0.77 0.00 0.00 66.41 65.55 3n59 h THR 122 Cb 1.21 1.79 -0.09 0.00 -1.74 0.00 0.00 68.15 69.31 3n59 h THR 122 CO 0.59 0.31 -0.16 -0.83 0.37 0.00 0.00 175.52 175.79 3n59 s GLY 123 N -3.20 0.70 -0.04 2.16 0.00 -1.15 -5.03 107.32 100.76 3n59 s GLY 123 Ca -0.15 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 43.57 3n59 s GLY 123 CO 0.72 -0.73 -0.01 0.14 0.00 0.00 0.00 173.10 173.22 3n59 s VAL 124 N -3.91 0.32 -0.21 1.40 1.01 -1.26 -1.10 120.40 116.65 3n59 s VAL 124 Ca 0.25 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.24 3n59 s VAL 124 Cb -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.97 3n59 s VAL 124 CO 0.10 0.19 -0.09 -0.63 0.00 0.00 0.00 175.10 174.67 3n59 s ILE 125 N 1.20 2.95 -0.04 2.22 1.01 0.41 -4.98 121.20 123.97 3n59 s ILE 125 Ca -0.07 -0.63 0.05 0.00 0.00 0.00 0.00 60.65 59.99 3n59 s ILE 125 Cb -0.13 -2.32 -0.01 0.00 0.01 0.00 0.00 42.46 40.01 3n59 s ILE 125 CO -0.02 0.46 -0.18 -0.69 0.00 0.00 0.00 174.94 174.51 3n59 s VAL 126 N 1.42 1.53 -0.83 2.92 1.01 -1.26 -0.61 120.40 124.58 3n59 s VAL 126 Ca 0.06 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.26 3n59 s VAL 126 Cb -0.14 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.94 3n59 s VAL 126 CO -0.06 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.08 3n59 n GLY 127 N 3.08 0.96 1.72 4.51 0.00 -0.68 -4.82 105.19 109.95 3n59 n GLY 127 Ca -0.18 -0.45 0.05 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.89 5.45 0.00 0.99 4.77 -1.23 -4.58 117.00 121.51 3n59 n LEU 128 Ca -0.08 -3.01 0.00 0.00 -0.03 0.00 0.00 56.01 52.89 3n59 n LEU 128 Cb 0.31 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 3n59 n LEU 128 CO 0.12 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 3n59 n GLY 129 N 0.26 0.82 0.27 -0.72 0.00 -0.86 -3.36 105.19 101.61 3n59 n GLY 129 Ca 0.29 -0.70 0.14 0.00 0.00 0.00 0.00 46.02 45.75 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 0.46 0.00 -0.61 6.09 -1.95 -2.67 117.51 118.83 3n59 h ILE 130 Ca 0.00 -0.49 0.00 0.00 -1.37 0.00 0.00 64.86 63.00 3n59 h ILE 130 Cb 0.00 1.33 0.00 0.00 0.47 0.00 0.00 36.82 38.62 3n59 h ILE 130 CO 0.00 0.10 0.00 -0.61 -3.07 0.00 0.00 178.15 174.57 3n59 h GLN 131 N 0.00 0.00 -0.88 2.19 4.15 -1.98 -3.08 115.11 115.51 3n59 h GLN 131 Ca -0.00 0.00 0.18 0.00 0.77 0.00 0.00 58.65 59.59 3n59 h GLN 131 Cb 0.33 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 27.91 3n59 h GLN 131 CO 0.01 0.00 0.44 0.78 -1.93 0.00 0.00 178.83 178.13 3n59 h GLY 132 N 2.13 1.47 0.85 2.39 0.00 -1.53 0.10 103.07 108.48 3n59 h GLY 132 Ca 0.00 -0.23 0.02 0.00 0.00 0.00 0.00 47.33 47.11 3n59 h GLY 132 CO 0.00 -0.12 -0.01 -0.97 0.00 0.00 0.00 176.54 175.44 3n59 h TYR 133 N 0.56 -0.03 -0.23 5.60 -1.99 -1.77 -1.49 116.97 117.62 3n59 h TYR 133 Ca 0.51 0.01 -0.10 0.00 2.00 0.00 0.00 58.73 61.15 3n59 h TYR 133 Cb 0.82 0.03 -0.01 0.00 2.00 0.00 0.00 36.73 39.56 3n59 h TYR 133 CO -0.10 -0.03 -0.27 -0.07 -0.00 0.00 0.00 178.16 177.70 3n59 h LEU 134 N 0.01 0.45 -0.79 3.88 3.38 -1.32 -0.35 115.31 120.56 3n59 h LEU 134 Ca 0.04 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 3n59 h LEU 134 Cb 0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3n59 h LEU 134 CO -0.08 0.71 -0.37 -0.07 0.09 0.00 0.00 178.44 178.72 3n59 h LEU 135 N 0.39 0.49 -0.75 1.67 3.38 -0.82 -2.12 115.31 117.56 3n59 h LEU 135 Ca 0.06 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 3n59 h LEU 135 Cb 0.68 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3n59 h LEU 135 CO 0.05 0.82 -0.34 0.00 0.09 0.00 0.00 178.44 179.06 3n59 h ALA 136 N 1.21 0.92 -0.77 1.53 0.00 -0.60 -2.20 119.26 119.35 3n59 h ALA 136 Ca 0.04 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 3n59 h ALA 136 Cb 0.83 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3n59 h ALA 136 CO 0.07 0.62 0.30 -0.07 0.00 0.00 0.00 179.25 180.17 3n59 h LEU 137 N 0.48 1.06 -0.84 0.00 3.38 -0.92 -2.93 115.31 115.53 3n59 h LEU 137 Ca 0.05 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 3n59 h LEU 137 Cb 0.82 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 3n59 h LEU 137 CO 0.07 0.94 -0.09 -0.09 0.09 0.00 0.00 178.44 179.36 3n59 h ARG 138 N 1.11 0.77 -0.56 1.13 2.43 -1.15 -1.84 114.38 116.26 3n59 h ARG 138 Ca 0.25 -0.24 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3n59 h ARG 138 Cb 0.22 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 3n59 h ARG 138 CO -0.02 0.84 0.34 -0.92 -1.51 0.00 0.00 179.97 178.70 3n59 h TYR 139 N 0.70 0.73 -0.16 2.20 3.20 -1.31 -2.80 116.97 119.52 3n59 h TYR 139 Ca 0.12 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.86 3n59 h TYR 139 Cb 0.56 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 3n59 h TYR 139 CO 0.03 0.50 -0.45 -0.07 -1.64 0.00 0.00 178.16 176.53 3n59 h LEU 140 N 0.75 0.43 -2.03 2.82 3.38 -1.32 -2.47 115.31 116.87 3n59 h LEU 140 Ca 0.20 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3n59 h LEU 140 Cb -0.02 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3n59 h LEU 140 CO -0.04 0.83 -0.01 0.00 0.09 0.00 0.00 178.44 179.31 3n59 h ALA 141 N 1.19 1.01 0.00 1.53 0.00 -1.20 -2.50 119.26 119.29 3n59 h ALA 141 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3n59 h ALA 141 Cb 0.92 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3n59 h ALA 141 CO 0.08 0.01 -0.78 -1.91 0.00 0.00 0.00 179.25 176.65 3n59 n GLU 142 N -3.12 0.22 0.00 0.00 4.07 -0.94 -5.10 120.64 115.77 3n59 n GLU 142 Ca -0.01 0.03 0.07 0.00 -0.06 0.00 0.00 57.16 57.19 3n59 n GLU 142 Cb 0.22 -1.60 0.06 0.00 -0.06 0.00 0.00 31.44 30.06 3n59 n GLU 142 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79