#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n59 s LEU 3 N 0.00 4.29 -0.05 4.31 1.43 -1.26 -4.92 118.68 122.47 3n59 s LEU 3 Ca 0.00 -0.54 -0.23 0.00 -1.03 0.00 0.00 54.13 52.33 3n59 s LEU 3 Cb 0.00 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 3n59 s LEU 3 CO 0.00 -1.20 0.70 -0.63 0.23 0.00 0.00 176.35 175.45 3n59 s ILE 4 N 3.74 5.02 -0.12 -0.59 1.01 -1.26 -1.32 121.20 127.68 3n59 s ILE 4 Ca 0.27 1.45 0.02 0.00 0.00 0.00 0.00 60.65 62.39 3n59 s ILE 4 Cb -0.14 -4.04 -0.00 0.00 0.01 0.00 0.00 42.46 38.29 3n59 s ILE 4 CO 0.17 0.27 -0.20 -0.69 0.00 0.00 0.00 174.94 174.48 3n59 s VAL 5 N 0.69 2.34 -0.37 2.92 1.01 0.58 -4.20 120.40 123.38 3n59 s VAL 5 Ca 0.37 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 61.28 3n59 s VAL 5 Cb -0.18 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.27 3n59 s VAL 5 CO 0.18 0.54 0.44 0.20 0.00 0.00 0.00 175.10 176.47 3n59 s ASN 6 N 0.49 6.23 -0.30 3.32 0.01 -0.73 -0.99 114.94 122.98 3n59 s ASN 6 Ca -0.13 -0.29 -0.16 0.00 -0.71 0.00 0.00 52.86 51.57 3n59 s ASN 6 Cb -0.17 -2.23 -0.02 0.00 0.41 0.00 0.00 41.25 39.24 3n59 s ASN 6 CO 0.05 -0.47 0.41 -0.69 -1.51 0.00 0.00 177.10 174.89 3n59 s VAL 7 N 2.20 5.13 -0.15 1.60 1.01 0.35 -0.15 120.40 130.40 3n59 s VAL 7 Ca 0.14 0.43 0.02 0.00 0.00 0.00 0.00 61.98 62.57 3n59 s VAL 7 Cb -0.16 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.44 3n59 s VAL 7 CO 0.13 0.02 -0.19 -0.63 0.00 0.00 0.00 175.10 174.43 3n59 s ILE 8 N 2.14 1.87 -0.17 2.22 1.01 0.39 -1.37 121.20 127.29 3n59 s ILE 8 Ca 0.15 -0.85 -0.03 0.00 0.00 0.00 0.00 60.65 59.93 3n59 s ILE 8 Cb -0.16 -1.69 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 3n59 s ILE 8 CO 0.11 0.51 -0.07 0.20 0.00 0.00 0.00 174.94 175.69 3n59 s ASN 9 N 1.09 4.33 0.24 3.58 0.01 -0.20 -1.27 114.94 122.72 3n59 s ASN 9 Ca -0.02 -0.30 0.00 0.00 -0.71 0.00 0.00 52.86 51.83 3n59 s ASN 9 Cb -0.14 -1.71 0.00 0.00 0.41 0.00 0.00 41.25 39.81 3n59 s ASN 9 CO -0.06 0.09 0.00 0.61 -1.51 0.00 0.00 177.10 176.23 3n59 n GLY 10 N 4.06 -0.78 3.58 0.66 0.00 0.20 -1.57 105.19 111.35 3n59 n GLY 10 Ca -0.18 -1.65 -0.44 0.00 0.00 0.00 0.00 46.02 43.75 3n59 n GLY 10 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3n59 n PRO 11 N -0.25 1.29 -0.78 1.61 -0.02 -1.09 -3.03 135.00 132.73 3n59 n PRO 11 Ca 0.00 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3n59 n PRO 11 Cb 0.00 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 -0.44 0.04 2.55 3.02 -1.26 -4.50 115.26 115.77 3n59 n ASN 12 Ca 0.10 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.77 3n59 n ASN 12 Cb 0.34 -1.26 0.21 0.00 -0.61 0.00 0.00 39.78 38.46 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 0.62 0.06 3.41 4.77 -1.17 -2.80 117.00 121.90 3n59 n LEU 13 Ca 0.00 0.19 0.12 0.00 -0.03 0.00 0.00 56.01 56.28 3n59 n LEU 13 Cb 0.02 -0.21 0.46 0.00 -2.33 0.00 0.00 43.42 41.36 3n59 n LEU 13 CO 0.00 -0.01 0.87 0.61 -1.33 0.00 0.00 177.39 177.53 3n59 n GLY 14 N 1.38 -1.41 0.28 -0.72 0.00 -1.26 -3.04 105.19 100.43 3n59 n GLY 14 Ca 0.04 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.91 1.16 -1.61 1.61 5.12 -1.12 -4.68 116.66 115.22 3n59 n ARG 15 Ca 0.05 -0.56 -0.50 0.00 -1.93 0.00 0.00 57.85 54.91 3n59 n ARG 15 Cb 0.31 -1.49 -0.05 0.00 -1.16 0.00 0.00 32.46 30.07 3n59 n ARG 15 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 3n59 n LEU 16 N -0.43 2.09 0.00 0.55 7.94 -1.17 -3.53 117.00 122.46 3n59 n LEU 16 Ca 0.17 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.18 3n59 n LEU 16 Cb 0.30 -1.27 0.00 0.00 0.53 0.00 0.00 43.42 42.99 3n59 n LEU 16 CO 0.21 -0.84 0.00 0.61 -1.11 0.00 0.00 177.39 176.25 3n59 n GLY 17 N 2.70 1.68 2.16 -3.96 0.00 -1.21 -3.75 105.19 102.80 3n59 n GLY 17 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 3n59 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n59 n ARG 18 N -1.14 1.53 -0.48 1.61 3.00 -1.23 -4.90 116.66 115.06 3n59 n ARG 18 Ca 0.00 -3.18 0.00 0.00 -0.01 0.00 0.00 57.85 54.66 3n59 n ARG 18 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 32.46 31.19 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 -0.36 0.00 0.34 -0.13 0.00 -1.26 -5.24 105.19 98.55 3n59 n GLY 25 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.19 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 0.08 1.09 3.65 -0.02 0.00 -1.26 -5.01 105.19 103.73 3n59 n GLY 26 Ca 0.00 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.80 3.78 0.77 2.61 2.01 -1.26 -4.65 115.64 118.10 3n59 s THR 27 Ca 0.11 0.93 -0.11 0.00 0.31 0.00 0.00 61.69 62.93 3n59 s THR 27 Cb 0.07 -3.65 0.05 0.00 0.01 0.00 0.00 72.50 68.98 3n59 s THR 27 CO 0.09 -0.14 1.09 0.42 -0.69 0.00 0.00 174.62 175.40 3n59 s THR 28 N 4.20 3.21 0.23 -0.82 -4.23 -1.26 -3.35 115.64 113.62 3n59 s THR 28 Ca 0.68 0.39 -0.06 0.00 -1.18 0.00 0.00 61.69 61.53 3n59 s THR 28 Cb -0.28 -3.19 0.15 0.00 1.34 0.00 0.00 72.50 70.51 3n59 s THR 28 CO 0.26 -0.51 1.77 -0.74 -0.54 0.00 0.00 174.62 174.86 3n59 h HIS 29 N -0.97 1.12 -0.70 3.99 6.17 -1.84 -0.88 115.15 122.04 3n59 h HIS 29 Ca -0.46 -0.10 0.04 0.00 0.71 0.00 0.00 60.37 60.55 3n59 h HIS 29 Cb 1.26 -0.33 -0.05 0.00 2.52 0.00 0.00 27.41 30.82 3n59 h HIS 29 CO 0.48 0.88 0.43 -0.44 0.71 0.00 0.00 177.93 179.99 3n59 h ASP 30 N 1.04 0.69 0.04 3.26 3.32 -1.93 -0.27 116.42 122.58 3n59 h ASP 30 Ca 0.23 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.21 3n59 h ASP 30 Cb 0.29 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3n59 h ASP 30 CO -0.01 0.47 -0.22 -0.33 -1.72 0.00 0.00 179.24 177.43 3n59 h GLU 31 N 0.83 0.32 -0.52 3.56 5.08 -1.83 -2.55 114.58 119.47 3n59 h GLU 31 Ca 0.29 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.43 3n59 h GLU 31 Cb 0.05 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3n59 h GLU 31 CO -0.12 0.53 -0.14 1.25 -1.00 0.00 0.00 179.01 179.53 3n59 h LEU 32 N 0.29 1.00 0.17 1.33 5.85 -0.40 -2.23 115.31 121.32 3n59 h LEU 32 Ca 0.05 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 3n59 h LEU 32 Cb 0.56 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3n59 h LEU 32 CO 0.04 1.12 -0.08 0.58 -0.34 0.00 0.00 178.44 179.76 3n59 h VAL 33 N 0.88 0.86 -0.86 1.05 2.07 -0.81 -2.13 116.25 117.30 3n59 h VAL 33 Ca 0.13 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 3n59 h VAL 33 Cb 0.70 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 3n59 h VAL 33 CO 0.05 0.02 0.46 0.00 0.02 0.00 0.00 177.57 178.13 3n59 h ALA 34 N 0.54 1.18 -0.63 1.67 0.00 -1.48 -1.88 119.26 118.67 3n59 h ALA 34 Ca -0.02 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 3n59 h ALA 34 Cb 0.22 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3n59 h ALA 34 CO 0.04 0.65 0.05 1.25 0.00 0.00 0.00 179.25 181.24 3n59 h LEU 35 N 1.21 1.03 -0.09 0.00 5.85 -1.34 -1.74 115.31 120.25 3n59 h LEU 35 Ca 0.30 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3n59 h LEU 35 Cb 0.05 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.80 3n59 h LEU 35 CO -0.05 1.06 -0.04 0.40 -0.34 0.00 0.00 178.44 179.47 3n59 h ILE 36 N 0.99 1.31 -0.71 4.05 2.04 -1.15 -2.43 117.51 121.61 3n59 h ILE 36 Ca 0.18 -1.02 0.04 0.00 1.00 0.00 0.00 64.86 65.06 3n59 h ILE 36 Cb 0.50 1.81 -0.05 0.00 -0.74 0.00 0.00 36.82 38.34 3n59 h ILE 36 CO 0.02 0.29 0.43 -0.33 0.00 0.00 0.00 178.15 178.56 3n59 h GLU 37 N -0.17 0.80 -0.21 2.37 5.08 -1.31 0.22 114.58 121.35 3n59 h GLU 37 Ca 0.02 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3n59 h GLU 37 Cb 0.47 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3n59 h GLU 37 CO 0.01 0.53 0.07 -0.09 -1.00 0.00 0.00 179.01 178.54 3n59 h ARG 38 N 0.82 0.17 -0.55 2.33 2.43 -1.32 -0.87 114.38 117.40 3n59 h ARG 38 Ca 0.30 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.36 3n59 h ARG 38 Cb 0.09 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3n59 h ARG 38 CO -0.14 0.11 -0.06 1.49 -1.51 0.00 0.00 179.97 179.86 3n59 h GLU 39 N 0.18 1.02 -0.31 0.20 4.57 -0.90 -2.14 114.58 117.19 3n59 h GLU 39 Ca 0.09 -0.36 -0.02 0.00 -1.18 0.00 0.00 59.36 57.90 3n59 h GLU 39 Cb 0.06 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 3n59 h GLU 39 CO -0.09 1.04 0.13 0.00 -1.18 0.00 0.00 179.01 178.91 3n59 h ALA 40 N 0.94 0.40 -0.32 2.92 0.00 -0.44 -2.79 119.26 119.97 3n59 h ALA 40 Ca 0.15 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3n59 h ALA 40 Cb 0.63 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3n59 h ALA 40 CO 0.04 -0.01 0.04 0.00 0.00 0.00 0.00 179.25 179.32 3n59 h ALA 41 N 0.97 1.48 -0.04 0.00 0.00 -1.03 0.18 119.26 120.83 3n59 h ALA 41 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3n59 h ALA 41 Cb 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3n59 h ALA 41 CO -0.01 0.38 0.00 0.39 0.00 0.00 0.00 179.25 180.01 3n59 n GLU 42 N -4.33 1.12 0.00 0.00 1.02 -0.81 -2.87 120.64 114.77 3n59 n GLU 42 Ca 0.01 -0.19 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 3n59 n GLU 42 Cb 0.20 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 3n59 n GLU 42 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3n59 n LEU 43 N -0.47 0.84 -0.69 -4.62 4.77 -0.47 -5.02 117.00 111.35 3n59 n LEU 43 Ca 0.08 -0.84 -0.04 0.00 -0.03 0.00 0.00 56.01 55.18 3n59 n LEU 43 Cb 0.07 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 3n59 n LEU 43 CO 0.06 0.21 -0.00 0.61 -1.33 0.00 0.00 177.39 176.93 3n59 n GLY 44 N -0.07 0.47 3.21 -0.72 0.00 -0.76 -4.96 105.19 102.35 3n59 n GLY 44 Ca 0.00 -0.64 -0.20 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.48 2.30 -0.25 0.99 1.43 0.52 -4.61 118.68 117.58 3n59 s LEU 45 Ca 0.05 -0.66 -0.08 0.00 -1.03 0.00 0.00 54.13 52.40 3n59 s LEU 45 Cb -0.02 -0.63 -0.04 0.00 0.03 0.00 0.00 46.19 45.54 3n59 s LEU 45 CO 0.06 -0.05 0.11 -0.75 0.23 0.00 0.00 176.35 175.95 3n59 s LYS 46 N -1.90 3.79 -0.22 1.70 2.20 -0.43 -2.93 119.74 121.95 3n59 s LYS 46 Ca 0.02 -0.41 -0.08 0.00 -0.36 0.00 0.00 55.97 55.14 3n59 s LYS 46 Cb -0.09 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 3n59 s LYS 46 CO 0.03 -0.12 0.09 0.00 -0.36 0.00 0.00 175.35 174.99 3n59 s ALA 47 N 1.47 3.38 -0.34 3.13 0.00 -1.26 -0.30 121.76 127.83 3n59 s ALA 47 Ca 0.06 -0.91 -0.07 0.00 0.00 0.00 0.00 51.96 51.04 3n59 s ALA 47 Cb -0.15 -2.07 0.03 0.00 0.00 0.00 0.00 23.12 20.93 3n59 s ALA 47 CO 0.05 -0.13 0.12 0.08 0.00 0.00 0.00 175.76 175.89 3n59 s VAL 48 N 0.95 3.99 -0.21 0.00 1.01 -0.16 -4.87 120.40 121.11 3n59 s VAL 48 Ca 0.05 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 60.99 3n59 s VAL 48 Cb -0.14 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 3n59 s VAL 48 CO 0.03 -0.15 -0.03 -0.69 0.00 0.00 0.00 175.10 174.26 3n59 s VAL 49 N 1.45 3.55 0.02 2.92 1.01 -1.26 -0.49 120.40 127.60 3n59 s VAL 49 Ca -0.00 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.54 3n59 s VAL 49 Cb -0.19 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 3n59 s VAL 49 CO 0.04 0.43 -0.04 -0.13 0.00 0.00 0.00 175.10 175.39 3n59 s ARG 50 N 1.25 0.35 -0.02 2.72 0.52 -0.47 -5.00 118.95 118.29 3n59 s ARG 50 Ca 0.03 -0.53 0.03 0.00 -0.52 0.00 0.00 55.73 54.75 3n59 s ARG 50 Cb -0.14 -0.08 -0.00 0.00 0.52 0.00 0.00 34.95 35.24 3n59 s ARG 50 CO -0.01 0.00 -0.12 -1.14 0.02 0.00 0.00 175.30 174.05 3n59 s GLN 51 N -1.16 1.17 -0.08 3.54 -0.44 -1.26 -1.03 119.66 120.39 3n59 s GLN 51 Ca -0.10 -0.43 -0.13 0.00 -2.50 0.00 0.00 55.36 52.20 3n59 s GLN 51 Cb -0.08 -1.08 0.03 0.00 -1.64 0.00 0.00 33.01 30.24 3n59 s GLN 51 CO -0.00 0.21 0.33 0.45 0.50 0.00 0.00 175.29 176.77 3n59 s SER 52 N -0.04 -0.29 0.00 6.67 0.15 -0.61 -4.99 113.70 114.59 3n59 s SER 52 Ca 0.00 0.46 0.25 0.00 0.70 0.00 0.00 55.95 57.36 3n59 s SER 52 Cb -0.08 0.55 0.56 0.00 -1.71 0.00 0.00 66.02 65.34 3n59 s SER 52 CO 0.00 -0.24 1.45 0.47 1.20 0.00 0.00 173.24 176.12 3n59 n ASP 53 N 2.29 0.59 -4.60 5.45 8.00 -1.26 -2.68 116.55 124.35 3n59 n ASP 53 Ca -0.16 -0.36 -0.41 0.00 0.71 0.00 0.00 54.79 54.57 3n59 n ASP 53 Cb 0.57 0.22 -0.07 0.00 -0.02 0.00 0.00 41.12 41.82 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 -2.91 6.41 0.22 -2.24 0.15 -1.26 -4.68 113.70 109.39 3n59 s SER 54 Ca 0.14 0.35 -0.08 0.00 0.70 0.00 0.00 55.95 57.05 3n59 s SER 54 Cb 0.18 -2.29 0.25 0.00 -1.71 0.00 0.00 66.02 62.45 3n59 s SER 54 CO 0.67 -0.39 1.83 -0.08 1.20 0.00 0.00 173.24 176.47 3n59 h GLU 55 N 8.19 0.79 -0.75 5.44 4.81 -1.99 -1.55 114.58 129.52 3n59 h GLU 55 Ca -0.28 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 58.98 3n59 h GLU 55 Cb 1.13 -0.18 -0.06 0.00 0.63 0.00 0.00 28.75 30.27 3n59 h GLU 55 CO 0.75 0.53 0.42 0.00 -0.73 0.00 0.00 179.01 179.98 3n59 h ALA 56 N 1.35 1.03 -0.57 2.92 0.00 -1.99 0.61 119.26 122.61 3n59 h ALA 56 Ca 0.32 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 3n59 h ALA 56 Cb 0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3n59 h ALA 56 CO -0.16 0.08 -0.02 0.37 0.00 0.00 0.00 179.25 179.52 3n59 h GLN 57 N 0.75 1.02 -0.52 0.00 5.75 -1.85 -2.23 115.11 118.02 3n59 h GLN 57 Ca 0.35 -0.32 -0.11 0.00 -0.15 0.00 0.00 58.65 58.42 3n59 h GLN 57 Cb 0.26 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.70 3n59 h GLN 57 CO -0.21 1.01 -0.10 -0.07 -2.65 0.00 0.00 178.83 176.80 3n59 h LEU 58 N 0.92 0.96 -0.77 -2.39 3.38 -0.58 -2.40 115.31 114.44 3n59 h LEU 58 Ca 0.16 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 3n59 h LEU 58 Cb 0.57 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3n59 h LEU 58 CO 0.03 1.07 0.36 -0.07 0.09 0.00 0.00 178.44 179.92 3n59 h LEU 59 N 0.87 1.01 -0.48 1.67 3.38 -0.80 -2.25 115.31 118.72 3n59 h LEU 59 Ca 0.14 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3n59 h LEU 59 Cb 0.64 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3n59 h LEU 59 CO 0.04 0.87 0.28 -0.78 0.09 0.00 0.00 178.44 178.95 3n59 h ASP 60 N 1.09 0.58 -0.34 -0.43 3.58 -1.19 -0.77 116.42 118.92 3n59 h ASP 60 Ca 0.26 -0.06 -0.06 0.00 0.42 0.00 0.00 57.03 57.59 3n59 h ASP 60 Cb 0.14 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 3n59 h ASP 60 CO -0.03 0.47 0.03 -0.50 -2.88 0.00 0.00 179.24 176.33 3n59 h TRP 61 N 0.64 0.71 -0.23 0.28 6.55 -1.28 -2.09 115.95 120.54 3n59 h TRP 61 Ca 0.17 -0.08 -0.14 0.00 0.95 0.00 0.00 58.89 59.79 3n59 h TRP 61 Cb 0.00 -0.20 -0.01 0.00 -0.86 0.00 0.00 29.16 28.09 3n59 h TRP 61 CO -0.03 0.65 -0.46 0.82 -1.05 0.00 0.00 178.44 178.38 3n59 h ILE 62 N 0.65 1.31 -0.51 1.49 2.04 -1.09 -2.36 117.51 119.04 3n59 h ILE 62 Ca 0.14 -1.66 -0.03 0.00 1.00 0.00 0.00 64.86 64.31 3n59 h ILE 62 Cb 0.36 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 3n59 h ILE 62 CO 0.01 0.52 0.21 0.45 0.00 0.00 0.00 178.15 179.34 3n59 h HIS 63 N 0.47 0.77 -0.77 1.37 3.86 -0.83 -1.25 115.15 118.76 3n59 h HIS 63 Ca 0.03 -0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 59.13 3n59 h HIS 63 Cb 0.98 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 29.19 3n59 h HIS 63 CO 0.04 0.63 0.26 1.96 0.86 0.00 0.00 177.93 181.68 3n59 h GLN 64 N 0.68 1.18 0.00 2.45 4.20 -1.31 -0.59 115.11 121.71 3n59 h GLN 64 Ca 0.17 -0.24 -0.08 0.00 0.06 0.00 0.00 58.65 58.55 3n59 h GLN 64 Cb 0.18 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3n59 h GLN 64 CO -0.02 0.98 -0.40 0.00 -0.67 0.00 0.00 178.83 178.72 3n59 h ALA 65 N 1.14 1.16 -0.16 3.87 0.00 -1.28 -1.07 119.26 122.93 3n59 h ALA 65 Ca 0.25 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3n59 h ALA 65 Cb 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3n59 h ALA 65 CO -0.01 0.50 -0.28 0.00 0.00 0.00 0.00 179.25 179.46 3n59 h ALA 66 N 1.60 0.25 -0.00 0.00 0.00 -0.71 -0.45 119.26 119.94 3n59 h ALA 66 Ca -0.00 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 3n59 h ALA 66 Cb 0.80 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3n59 h ALA 66 CO 0.05 0.25 -0.33 -0.44 0.00 0.00 0.00 179.25 178.79 3n59 h ASP 67 N 0.10 0.00 -0.02 0.00 3.32 -0.93 -2.92 116.42 115.98 3n59 h ASP 67 Ca 0.01 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3n59 h ASP 67 Cb 0.86 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 3n59 h ASP 67 CO 0.06 0.33 -0.04 0.00 -1.72 0.00 0.00 179.24 177.88 3n59 n ALA 68 N -2.48 2.58 -3.37 3.45 0.00 -0.42 -4.97 120.51 115.30 3n59 n ALA 68 Ca -0.02 -0.62 -0.24 0.00 0.00 0.00 0.00 53.44 52.56 3n59 n ALA 68 Cb 0.37 -0.91 0.03 0.00 0.00 0.00 0.00 19.45 18.94 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 0.92 -1.11 -2.70 0.00 0.00 -0.79 -4.99 120.51 111.85 3n59 n ALA 69 Ca 0.15 0.24 -0.37 0.00 0.00 0.00 0.00 53.44 53.46 3n59 n ALA 69 Cb 0.52 -3.99 -0.06 0.00 0.00 0.00 0.00 19.45 15.92 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 -6.05 3.66 0.63 0.00 2.02 -0.24 -4.61 118.70 114.10 3n59 s GLU 70 Ca 0.44 0.10 -0.18 0.00 0.02 0.00 0.00 54.97 55.35 3n59 s GLU 70 Cb -0.21 -3.17 -0.02 0.00 0.10 0.00 0.00 34.13 30.83 3n59 s GLU 70 CO 0.55 0.71 1.20 -1.25 0.02 0.00 0.00 175.26 176.48 3n59 s PRO 71 N -1.23 2.79 -0.08 0.39 0.04 -1.26 -4.68 135.00 130.97 3n59 s PRO 71 Ca 0.21 1.76 0.02 0.00 0.04 0.00 0.00 61.00 63.04 3n59 s PRO 71 Cb -0.14 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.50 3n59 s PRO 71 CO 0.10 -1.33 -0.15 0.08 0.04 0.00 0.00 177.00 175.75 3n59 s VAL 72 N -1.76 1.35 -0.28 -0.36 1.01 -0.95 -1.77 120.40 117.64 3n59 s VAL 72 Ca 0.76 -0.59 -0.10 0.00 0.00 0.00 0.00 61.98 62.05 3n59 s VAL 72 Cb -0.29 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 3n59 s VAL 72 CO 0.36 0.40 0.14 -0.63 0.00 0.00 0.00 175.10 175.38 3n59 s ILE 73 N 0.68 4.79 -0.11 2.22 1.01 0.79 -1.23 121.20 129.34 3n59 s ILE 73 Ca -0.14 -0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.40 3n59 s ILE 73 Cb -0.16 -3.32 0.01 0.00 0.01 0.00 0.00 42.46 39.00 3n59 s ILE 73 CO 0.04 0.21 -0.17 -0.22 0.00 0.00 0.00 174.94 174.80 3n59 s LEU 74 N 1.67 1.82 -0.39 2.97 2.96 -0.01 -0.46 118.68 127.25 3n59 s LEU 74 Ca 0.06 -0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 53.49 3n59 s LEU 74 Cb -0.16 -1.17 0.10 0.00 0.50 0.00 0.00 46.19 45.46 3n59 s LEU 74 CO 0.07 0.04 0.16 0.21 -1.32 0.00 0.00 176.35 175.51 3n59 s ASN 75 N 0.88 5.13 0.00 3.68 3.84 -0.40 -0.95 114.94 127.12 3n59 s ASN 75 Ca -0.08 -2.01 0.30 0.00 0.21 0.00 0.00 52.86 51.28 3n59 s ASN 75 Cb -0.15 -1.78 1.43 0.00 -0.55 0.00 0.00 41.25 40.20 3n59 s ASN 75 CO -0.00 -0.49 2.01 0.00 -2.79 0.00 0.00 177.10 175.83 3n59 n ALA 76 N 4.52 2.45 -0.68 1.71 0.00 -1.26 0.62 120.51 127.87 3n59 n ALA 76 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3n59 n ALA 76 Cb 0.42 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 1.35 2.68 0.23 0.00 0.00 -1.26 -2.52 105.19 105.67 3n59 n GLY 77 Ca 0.12 -0.26 0.11 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 -1.95 -3.01 103.07 100.09 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 -1.03 3.11 3.38 -1.87 -2.99 115.31 115.90 3n59 h LEU 79 Ca -0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 3n59 h LEU 79 Cb 0.66 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.32 3n59 h LEU 79 CO 0.02 0.00 0.63 0.74 0.09 0.00 0.00 178.44 179.92 3n59 h THR 80 N 0.00 0.88 -0.02 0.22 2.02 -1.67 -1.16 112.91 113.18 3n59 h THR 80 Ca 0.00 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.86 3n59 h THR 80 Cb 0.36 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 3n59 h THR 80 CO 0.00 0.17 -0.40 1.41 0.37 0.00 0.00 175.52 177.07 3n59 n HIS 81 N -4.63 0.00 0.00 3.16 8.25 -1.13 -1.43 115.22 119.43 3n59 n HIS 81 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 3n59 n HIS 81 Cb 0.40 -0.01 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 0.03 0.00 -3.49 1.59 -2.24 -1.07 -4.81 114.28 104.30 3n59 n THR 82 Ca 0.10 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.46 3n59 n THR 82 Cb 0.47 0.14 -0.10 0.00 -2.10 0.00 0.00 70.33 68.74 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 -0.84 5.99 0.14 3.42 0.15 -0.46 -4.90 113.70 117.21 3n59 s SER 83 Ca 0.00 -1.07 -0.03 0.00 0.70 0.00 0.00 55.95 55.55 3n59 s SER 83 Cb 0.00 -2.12 -0.05 0.00 -1.71 0.00 0.00 66.02 62.14 3n59 s SER 83 CO 0.00 -0.49 1.35 0.58 1.20 0.00 0.00 173.24 175.88 3n59 h VAL 84 N 5.75 1.40 -0.86 4.45 2.07 -1.97 -3.16 116.25 123.94 3n59 h VAL 84 Ca -0.27 -2.36 0.06 0.00 0.82 0.00 0.00 66.70 64.95 3n59 h VAL 84 Cb 1.11 2.32 -0.06 0.00 -1.52 0.00 0.00 31.29 33.14 3n59 h VAL 84 CO 0.75 0.71 0.53 0.00 0.02 0.00 0.00 177.57 179.58 3n59 h ALA 85 N 0.81 1.18 -0.40 1.67 0.00 -1.98 -0.96 119.26 119.58 3n59 h ALA 85 Ca -0.06 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 3n59 h ALA 85 Cb 1.49 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3n59 h ALA 85 CO 0.15 0.28 -0.21 1.25 0.00 0.00 0.00 179.25 180.72 3n59 h LEU 86 N 0.97 0.87 -0.50 0.00 5.85 -1.95 -2.40 115.31 118.16 3n59 h LEU 86 Ca 0.37 -0.41 0.06 0.00 0.84 0.00 0.00 57.88 58.74 3n59 h LEU 86 Cb 0.17 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 3n59 h LEU 86 CO -0.17 1.09 0.21 -0.09 -0.34 0.00 0.00 178.44 179.15 3n59 h ARG 87 N 0.66 0.41 -0.65 1.25 2.43 -1.40 -1.56 114.38 115.51 3n59 h ARG 87 Ca 0.09 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 3n59 h ARG 87 Cb 0.77 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 3n59 h ARG 87 CO 0.06 0.27 0.15 -0.44 -1.51 0.00 0.00 179.97 178.51 3n59 h ASP 88 N 0.42 0.97 -0.46 -3.80 3.32 -1.08 -1.78 116.42 114.00 3n59 h ASP 88 Ca 0.23 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 3n59 h ASP 88 Cb 0.20 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3n59 h ASP 88 CO -0.20 0.93 0.13 0.00 -1.72 0.00 0.00 179.24 178.38 3n59 h ALA 89 N 1.19 0.61 0.00 3.45 0.00 -1.17 -2.81 119.26 120.53 3n59 h ALA 89 Ca 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3n59 h ALA 89 Cb 0.35 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3n59 h ALA 89 CO 0.00 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.53 3n59 h ALA 91 N 2.03 1.01 0.00 0.00 0.00 -1.05 -2.80 119.26 118.46 3n59 h ALA 91 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3n59 h ALA 91 Cb 0.39 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3n59 h ALA 91 CO 0.00 0.10 -0.09 0.93 0.00 0.00 0.00 179.25 180.19 3n59 h GLU 92 N 0.00 0.00 -6.38 0.00 5.08 -1.56 -3.45 114.58 108.28 3n59 h GLU 92 Ca -0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 3n59 h GLU 92 Cb 0.62 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.88 3n59 h GLU 92 CO 0.01 0.09 1.01 -0.51 -1.00 0.00 0.00 179.01 178.61 3n59 s LEU 93 N -6.38 4.35 -0.07 1.33 1.43 -1.06 -4.90 118.68 113.38 3n59 s LEU 93 Ca 0.02 2.36 0.10 0.00 -1.03 0.00 0.00 54.13 55.58 3n59 s LEU 93 Cb 0.08 -3.55 -0.24 0.00 0.03 0.00 0.00 46.19 42.52 3n59 s LEU 93 CO 0.60 -0.88 0.56 -1.54 0.23 0.00 0.00 176.35 175.32 3n59 n SER 94 N 6.12 1.01 -4.83 2.29 3.41 -1.26 -4.91 113.62 115.45 3n59 n SER 94 Ca 0.16 0.34 -0.32 0.00 -0.26 0.00 0.00 58.87 58.79 3n59 n SER 94 Cb 0.42 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 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 3.02 0.40 7.33 0.00 -1.26 -5.00 121.76 123.66 3n59 s ALA 95 Ca -0.08 0.24 -0.26 0.00 0.00 0.00 0.00 51.96 51.86 3n59 s ALA 95 Cb 0.08 -3.14 -0.11 0.00 0.00 0.00 0.00 23.12 19.95 3n59 s ALA 95 CO 0.81 -0.29 1.16 -2.30 0.00 0.00 0.00 175.76 175.15 3n59 n PRO 96 N -1.55 1.71 -4.37 0.00 -0.02 -1.26 -4.72 135.00 124.79 3n59 n PRO 96 Ca 0.07 0.61 -0.32 0.00 -2.02 0.00 0.00 63.50 61.83 3n59 n PRO 96 Cb 0.54 -2.22 -0.16 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 -1.05 2.06 -0.19 2.45 2.96 -1.26 -2.23 118.68 121.42 3n59 s LEU 97 Ca 0.61 -0.60 -0.03 0.00 -0.22 0.00 0.00 54.13 53.89 3n59 s LEU 97 Cb -0.55 -1.42 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 3n59 s LEU 97 CO 0.58 0.03 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.94 3n59 s ILE 98 N 1.08 3.21 0.05 6.68 1.01 -0.37 -0.21 121.20 132.65 3n59 s ILE 98 Ca -0.01 -0.56 -0.24 0.00 0.00 0.00 0.00 60.65 59.84 3n59 s ILE 98 Cb -0.14 -2.42 -0.06 0.00 0.01 0.00 0.00 42.46 39.85 3n59 s ILE 98 CO -0.07 0.46 0.73 -0.70 0.00 0.00 0.00 174.94 175.36 3n59 s GLU 99 N 1.13 4.46 -0.05 2.79 2.12 -0.29 -0.83 118.70 128.03 3n59 s GLU 99 Ca 0.01 1.01 0.03 0.00 0.36 0.00 0.00 54.97 56.38 3n59 s GLU 99 Cb -0.14 -3.35 0.00 0.00 0.26 0.00 0.00 34.13 30.90 3n59 s GLU 99 CO -0.02 0.33 -0.14 0.08 -0.54 0.00 0.00 175.26 174.98 3n59 s VAL 100 N -0.19 1.19 -0.08 3.70 1.01 -0.12 -0.13 120.40 125.78 3n59 s VAL 100 Ca 0.37 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.81 3n59 s VAL 100 Cb -0.20 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.14 3n59 s VAL 100 CO 0.22 0.36 -0.12 -1.00 0.00 0.00 0.00 175.10 174.55 3n59 s HIS 101 N 0.32 1.58 0.02 5.22 3.76 0.11 -4.24 115.29 122.06 3n59 s HIS 101 Ca -0.08 -0.65 -0.26 0.00 -0.15 0.00 0.00 55.06 53.92 3n59 s HIS 101 Cb -0.13 -1.17 -0.17 0.00 1.11 0.00 0.00 32.58 32.22 3n59 s HIS 101 CO 0.03 -0.35 1.27 0.82 -0.85 0.00 0.00 174.74 175.66 3n59 h ILE 102 N 5.99 0.66 -4.41 0.60 2.04 -1.87 -1.35 117.51 119.17 3n59 h ILE 102 Ca -0.30 -0.53 -0.48 0.00 1.00 0.00 0.00 64.86 64.55 3n59 h ILE 102 Cb 1.18 0.93 0.08 0.00 -0.74 0.00 0.00 36.82 38.27 3n59 h ILE 102 CO 0.47 0.10 0.38 -0.94 0.00 0.00 0.00 178.15 178.16 3n59 s SER 103 N -5.02 5.04 -0.64 1.72 1.04 -1.26 -1.92 113.70 112.66 3n59 s SER 103 Ca -0.14 0.91 -0.24 0.00 0.48 0.00 0.00 55.95 56.95 3n59 s SER 103 Cb 0.02 -1.59 0.05 0.00 0.10 0.00 0.00 66.02 64.60 3n59 s SER 103 CO 0.55 -1.56 1.04 0.21 0.98 0.00 0.00 173.24 174.46 3n59 s ASN 104 N -4.45 6.24 0.60 7.02 3.84 -1.26 -2.27 114.94 124.66 3n59 s ASN 104 Ca 0.59 -0.59 0.38 0.00 0.21 0.00 0.00 52.86 53.46 3n59 s ASN 104 Cb -0.11 -2.46 1.88 0.00 -0.55 0.00 0.00 41.25 40.01 3n59 s ASN 104 CO 0.50 -1.46 2.18 -0.37 -2.79 0.00 0.00 177.10 175.16 3n59 h VAL 105 N 6.01 0.06 -0.00 -5.21 -1.51 -1.93 -2.08 116.25 111.60 3n59 h VAL 105 Ca -0.27 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 64.92 3n59 h VAL 105 Cb 1.07 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.48 3n59 h VAL 105 CO 1.17 0.01 -0.16 1.41 -1.23 0.00 0.00 177.57 178.78 3n59 n HIS 106 N -3.15 0.00 -0.02 5.19 8.25 -1.26 -3.41 115.22 120.82 3n59 n HIS 106 Ca -0.01 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.56 3n59 n HIS 106 Cb 0.19 -0.36 0.25 0.00 1.12 0.00 0.00 29.99 31.19 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 -1.39 2.38 -2.84 -1.41 0.00 -0.78 -4.96 120.51 111.52 3n59 n ALA 107 Ca 0.08 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.39 3n59 n ALA 107 Cb 0.32 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 1.49 3.57 -2.08 0.00 1.74 -1.22 -5.09 116.66 115.06 3n59 n ARG 108 Ca 0.21 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.92 3n59 n ARG 108 Cb 0.60 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.05 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 3.48 3.29 0.47 5.56 8.01 -1.26 -4.93 118.70 133.31 3n59 s GLU 109 Ca 0.00 1.86 0.19 0.00 0.01 0.00 0.00 54.97 57.03 3n59 s GLU 109 Cb 0.00 -2.14 1.13 0.00 -4.31 0.00 0.00 34.13 28.81 3n59 s GLU 109 CO 0.00 -0.96 2.00 1.49 0.01 0.00 0.00 175.26 177.80 3n59 h GLU 110 N 1.38 0.00 0.00 1.61 4.81 -1.96 -2.32 114.58 118.09 3n59 h GLU 110 Ca -0.50 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 3n59 h GLU 110 Cb 1.28 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 3n59 h GLU 110 CO 0.57 0.18 -0.09 0.27 -0.73 0.00 0.00 179.01 179.22 3n59 h PHE 111 N 0.00 0.00 0.00 0.92 -5.15 -1.95 -2.57 116.94 108.19 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 0.37 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.54 3n59 h PHE 111 CO 0.00 0.09 0.00 0.54 -2.00 0.00 0.00 178.31 176.94 3n59 n ARG 112 N -3.26 0.04 0.00 6.09 1.74 -0.87 -3.29 116.66 117.10 3n59 n ARG 112 Ca -0.00 0.10 0.15 0.00 -0.77 0.00 0.00 57.85 57.33 3n59 n ARG 112 Cb 0.32 -1.55 0.68 0.00 -1.02 0.00 0.00 32.46 30.88 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 -1.61 1.09 -4.30 5.56 1.74 -0.97 -4.71 116.66 113.47 3n59 n ARG 113 Ca 0.06 -0.40 -0.34 0.00 -0.77 0.00 0.00 57.85 56.39 3n59 n ARG 113 Cb 0.30 -1.49 -0.12 0.00 -1.02 0.00 0.00 32.46 30.13 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 -2.18 3.03 -0.09 -1.55 2.46 -1.21 -5.05 115.29 110.69 3n59 s HIS 114 Ca 0.37 -0.35 0.04 0.00 0.47 0.00 0.00 55.06 55.59 3n59 s HIS 114 Cb 0.21 -2.00 0.00 0.00 -0.13 0.00 0.00 32.58 30.67 3n59 s HIS 114 CO 0.40 -0.10 -0.21 0.45 -2.47 0.00 0.00 174.74 172.81 3n59 s SER 115 N 0.56 2.80 0.49 9.88 0.15 -1.26 -4.26 113.70 122.05 3n59 s SER 115 Ca -0.02 -0.50 0.28 0.00 0.70 0.00 0.00 55.95 56.40 3n59 s SER 115 Cb -0.14 -1.28 0.83 0.00 -1.71 0.00 0.00 66.02 63.72 3n59 s SER 115 CO 0.02 0.13 1.79 1.88 1.20 0.00 0.00 173.24 178.26 3n59 h TYR 116 N 6.80 0.00 0.19 3.44 0.05 -1.56 -3.34 116.97 122.55 3n59 h TYR 116 Ca -0.22 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.22 3n59 h TYR 116 Cb 1.23 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.98 3n59 h TYR 116 CO 0.47 0.02 -1.64 -0.07 -1.05 0.00 0.00 178.16 175.89 3n59 h LEU 117 N 0.00 0.64 -0.70 3.88 3.38 -1.91 -3.40 115.31 117.20 3n59 h LEU 117 Ca -0.00 -0.93 0.15 0.00 0.09 0.00 0.00 57.88 57.19 3n59 h LEU 117 Cb 0.77 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 41.21 3n59 h LEU 117 CO 0.00 1.75 0.09 0.28 0.09 0.00 0.00 178.44 180.65 3n59 h SER 118 N 0.05 -0.13 -0.19 -0.43 0.02 -1.93 -1.51 113.55 109.43 3n59 h SER 118 Ca -0.32 0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.77 3n59 h SER 118 Cb 2.06 0.24 -0.01 0.00 0.14 0.00 0.00 62.40 64.83 3n59 h SER 118 CO 0.18 -0.08 0.08 -0.65 -1.14 0.00 0.00 176.83 175.22 3n59 h PRO 119 N 0.19 0.35 -0.01 3.45 0.11 -1.79 -2.93 132.00 131.37 3n59 h PRO 119 Ca 0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.45 3n59 h PRO 119 Cb 0.65 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.69 3n59 h PRO 119 CO -0.54 0.31 -0.56 0.44 -0.21 0.00 0.00 178.00 177.45 3n59 n ILE 120 N -4.41 0.00 -2.39 4.15 -6.64 -0.70 -4.95 119.36 104.42 3n59 n ILE 120 Ca 0.01 -0.13 -0.29 0.00 -1.77 0.00 0.00 62.75 60.57 3n59 n ILE 120 Cb 0.14 0.86 -0.00 0.00 -1.44 0.00 0.00 39.64 39.20 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 -2.69 3.28 -0.03 -1.28 0.00 -0.65 -4.91 121.76 115.48 3n59 s ALA 121 Ca 0.16 -0.31 -0.24 0.00 0.00 0.00 0.00 51.96 51.57 3n59 s ALA 121 Cb 0.18 -2.78 -0.18 0.00 0.00 0.00 0.00 23.12 20.33 3n59 s ALA 121 CO 0.65 -0.43 1.10 1.15 0.00 0.00 0.00 175.76 178.24 3n59 h THR 122 N 0.15 1.10 -4.16 0.00 2.02 -0.89 -3.48 112.91 107.64 3n59 h THR 122 Ca -0.46 -1.10 -0.15 0.00 0.77 0.00 0.00 66.41 65.47 3n59 h THR 122 Cb 1.20 1.76 -0.13 0.00 -1.74 0.00 0.00 68.15 69.24 3n59 h THR 122 CO 0.62 0.25 -0.43 -0.83 0.37 0.00 0.00 175.52 175.50 3n59 s GLY 123 N -3.18 0.91 -0.04 2.16 0.00 -1.16 -5.04 107.32 100.97 3n59 s GLY 123 Ca -0.15 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.32 3n59 s GLY 123 CO 0.58 -1.07 -0.02 0.14 0.00 0.00 0.00 173.10 172.74 3n59 s VAL 124 N -4.06 0.37 -0.16 1.40 1.01 -1.26 -1.14 120.40 116.56 3n59 s VAL 124 Ca 0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.24 3n59 s VAL 124 Cb 0.04 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.98 3n59 s VAL 124 CO 0.07 0.20 -0.13 -0.63 0.00 0.00 0.00 175.10 174.60 3n59 s ILE 125 N 1.09 2.85 -0.04 2.22 1.01 0.82 -4.96 121.20 124.19 3n59 s ILE 125 Ca -0.09 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.87 3n59 s ILE 125 Cb -0.14 -2.21 0.02 0.00 0.01 0.00 0.00 42.46 40.14 3n59 s ILE 125 CO -0.01 0.51 -0.04 -0.69 0.00 0.00 0.00 174.94 174.70 3n59 s VAL 126 N 0.79 0.48 0.00 2.92 1.01 -1.26 -0.71 120.40 123.63 3n59 s VAL 126 Ca -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.81 3n59 s VAL 126 Cb -0.15 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.73 3n59 s VAL 126 CO 0.01 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.92 3n59 n GLY 127 N 3.88 1.07 1.58 4.51 0.00 -0.51 -4.84 105.19 110.89 3n59 n GLY 127 Ca -0.24 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 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 4.70 0.00 0.99 4.77 -1.24 -4.61 117.00 121.61 3n59 n LEU 128 Ca 0.00 -2.45 0.00 0.00 -0.03 0.00 0.00 56.01 53.53 3n59 n LEU 128 Cb 0.00 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 3n59 n LEU 128 CO 0.00 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 3n59 n GLY 129 N -0.18 0.90 0.24 -0.72 0.00 -0.81 -3.18 105.19 101.44 3n59 n GLY 129 Ca 0.28 -0.65 0.12 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 0.52 0.00 -0.61 6.09 -1.95 -2.84 117.51 118.72 3n59 h ILE 130 Ca 0.00 -0.84 0.00 0.00 -1.37 0.00 0.00 64.86 62.65 3n59 h ILE 130 Cb 0.00 1.57 0.00 0.00 0.47 0.00 0.00 36.82 38.86 3n59 h ILE 130 CO 0.00 0.17 0.00 -0.61 -3.07 0.00 0.00 178.15 174.64 3n59 h GLN 131 N 0.00 0.00 -0.88 2.19 4.15 -1.96 -2.98 115.11 115.63 3n59 h GLN 131 Ca -0.00 0.00 0.14 0.00 0.77 0.00 0.00 58.65 59.56 3n59 h GLN 131 Cb 0.56 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.18 3n59 h GLN 131 CO 0.02 0.00 0.57 0.78 -1.93 0.00 0.00 178.83 178.27 3n59 h GLY 132 N 1.49 1.18 0.95 2.39 0.00 -1.51 0.16 103.07 107.72 3n59 h GLY 132 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 3n59 h GLY 132 CO 0.00 0.10 0.17 -0.97 0.00 0.00 0.00 176.54 175.84 3n59 h TYR 133 N 0.69 0.55 -0.17 5.60 -1.99 -1.77 -2.29 116.97 117.59 3n59 h TYR 133 Ca 0.44 -0.03 -0.13 0.00 2.00 0.00 0.00 58.73 61.01 3n59 h TYR 133 Cb 0.70 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 39.25 3n59 h TYR 133 CO -0.00 0.48 -0.44 -0.07 -0.00 0.00 0.00 178.16 178.13 3n59 h LEU 134 N 0.47 0.45 -0.74 3.88 3.38 -1.29 -1.04 115.31 120.42 3n59 h LEU 134 Ca 0.13 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 3n59 h LEU 134 Cb 0.14 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3n59 h LEU 134 CO -0.01 0.83 -0.56 -0.07 0.09 0.00 0.00 178.44 178.72 3n59 h LEU 135 N 0.34 0.23 -0.46 1.67 3.38 -1.06 -2.39 115.31 117.03 3n59 h LEU 135 Ca 0.03 -0.12 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 3n59 h LEU 135 Cb 0.91 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 3n59 h LEU 135 CO 0.08 0.74 -0.33 0.00 0.09 0.00 0.00 178.44 179.02 3n59 h ALA 136 N 1.26 0.64 -0.64 1.53 0.00 -1.03 -2.61 119.26 118.42 3n59 h ALA 136 Ca -0.00 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.51 3n59 h ALA 136 Cb 1.03 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3n59 h ALA 136 CO 0.08 0.67 0.39 -0.07 0.00 0.00 0.00 179.25 180.33 3n59 h LEU 137 N 0.77 0.62 -1.08 0.00 3.38 -1.10 -2.67 115.31 115.23 3n59 h LEU 137 Ca 0.08 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3n59 h LEU 137 Cb 0.91 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 3n59 h LEU 137 CO 0.08 0.43 -0.06 -0.09 0.09 0.00 0.00 178.44 178.89 3n59 h ARG 138 N 0.75 0.58 -0.35 1.13 2.43 -1.33 -0.81 114.38 116.78 3n59 h ARG 138 Ca 0.26 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3n59 h ARG 138 Cb 0.04 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3n59 h ARG 138 CO -0.11 0.65 0.19 -0.92 -1.51 0.00 0.00 179.97 178.26 3n59 h TYR 139 N 0.54 0.48 -0.21 2.20 3.20 -1.24 -2.53 116.97 119.41 3n59 h TYR 139 Ca 0.11 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.86 3n59 h TYR 139 Cb 0.44 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 3n59 h TYR 139 CO 0.02 0.39 -0.30 -0.07 -1.64 0.00 0.00 178.16 176.55 3n59 h LEU 140 N 0.44 0.42 -1.89 2.82 3.38 -1.13 -1.11 115.31 118.25 3n59 h LEU 140 Ca 0.12 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3n59 h LEU 140 Cb 0.07 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3n59 h LEU 140 CO -0.02 0.71 -0.11 0.00 0.09 0.00 0.00 178.44 179.11 3n59 h ALA 141 N 1.32 1.22 0.00 1.53 0.00 -1.04 -2.84 119.26 119.45 3n59 h ALA 141 Ca 0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3n59 h ALA 141 Cb 0.71 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 3n59 h ALA 141 CO 0.05 0.14 -1.48 -1.91 0.00 0.00 0.00 179.25 176.05 3n59 n GLU 142 N -3.54 0.63 0.00 0.00 4.07 -0.80 -5.09 120.64 115.91 3n59 n GLU 142 Ca -0.02 -0.03 0.01 0.00 -0.06 0.00 0.00 57.16 57.06 3n59 n GLU 142 Cb 0.25 -1.68 0.01 0.00 -0.06 0.00 0.00 31.44 29.95 3n59 n GLU 142 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79