#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m3j s GLN 2 N 0.00 3.92 0.19 3.17 0.74 -1.26 -0.54 119.66 125.88 3m3j s GLN 2 Ca 0.00 0.07 0.06 0.00 0.05 0.00 0.00 55.36 55.55 3m3j s GLN 2 Cb 0.00 -3.30 -0.05 0.00 1.10 0.00 0.00 33.01 30.76 3m3j s GLN 2 CO 0.00 0.52 -0.12 0.96 -0.55 0.00 0.00 175.29 176.11 3m3j s ILE 3 N -0.38 1.51 -0.07 -2.34 -4.36 -0.56 0.26 121.20 115.27 3m3j s ILE 3 Ca 0.17 -2.15 0.02 0.00 -0.26 0.00 0.00 60.65 58.43 3m3j s ILE 3 Cb -0.13 -2.03 -0.03 0.00 1.25 0.00 0.00 42.46 41.52 3m3j s ILE 3 CO 0.06 -0.61 -0.11 -0.36 0.24 0.00 0.00 174.94 174.16 3m3j s PHE 4 N -3.12 2.82 -0.16 1.37 0.40 -0.36 -1.18 117.98 117.75 3m3j s PHE 4 Ca 0.21 -0.13 0.02 0.00 -0.60 0.00 0.00 56.93 56.43 3m3j s PHE 4 Cb 0.01 -1.69 0.02 0.00 0.51 0.00 0.00 43.02 41.86 3m3j s PHE 4 CO 0.05 0.20 -0.21 0.08 0.70 0.00 0.00 175.22 176.05 3m3j s VAL 5 N -0.63 2.05 -0.08 -0.44 1.01 0.96 -0.51 120.40 122.76 3m3j s VAL 5 Ca 0.09 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.15 3m3j s VAL 5 Cb -0.11 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 3m3j s VAL 5 CO 0.01 0.54 -0.17 -0.54 0.00 0.00 0.00 175.10 174.95 3m3j s LYS 6 N 1.08 2.80 0.49 2.72 1.02 -0.02 0.22 119.74 128.06 3m3j s LYS 6 Ca -0.00 -0.75 -0.00 0.00 0.02 0.00 0.00 55.97 55.23 3m3j s LYS 6 Cb -0.14 -2.40 0.01 0.00 -0.52 0.00 0.00 37.83 34.78 3m3j s LYS 6 CO -0.08 0.42 0.73 0.95 -0.92 0.00 0.00 175.35 176.45 3m3j s THR 7 N -0.22 3.65 -0.81 2.17 -4.23 0.10 -0.66 115.64 115.63 3m3j s THR 7 Ca -0.00 -0.46 0.27 0.00 -1.18 0.00 0.00 61.69 60.32 3m3j s THR 7 Cb -0.13 -3.37 0.27 0.00 1.34 0.00 0.00 72.50 70.60 3m3j s THR 7 CO 0.03 -0.28 1.82 0.18 -0.54 0.00 0.00 174.62 175.83 3m3j n LEU 8 N -2.22 0.54 -0.56 4.79 4.77 -1.26 -2.30 117.00 120.76 3m3j n LEU 8 Ca 0.03 0.55 0.08 0.00 -0.03 0.00 0.00 56.01 56.65 3m3j n LEU 8 Cb 0.58 -0.39 0.27 0.00 -2.33 0.00 0.00 43.42 41.56 3m3j n LEU 8 CO 0.48 -0.14 0.71 0.35 -1.33 0.00 0.00 177.39 177.45 3m3j n THR 9 N -2.01 0.31 -0.27 -5.08 -2.24 -1.26 -4.93 114.28 98.81 3m3j n THR 9 Ca 0.06 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 3m3j n THR 9 Cb 0.39 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 3m3j n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3m3j n GLY 10 N 1.07 0.85 3.71 3.38 0.00 -0.97 -5.06 105.19 108.16 3m3j n GLY 10 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3m3j n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3m3j s LYS 11 N -0.73 4.45 -0.16 1.61 2.20 -1.26 -4.90 119.74 120.95 3m3j s LYS 11 Ca 0.00 0.96 -0.01 0.00 -0.36 0.00 0.00 55.97 56.56 3m3j s LYS 11 Cb 0.00 -3.45 -0.01 0.00 -1.51 0.00 0.00 37.83 32.86 3m3j s LYS 11 CO 0.00 0.04 -0.11 0.99 -0.36 0.00 0.00 175.35 175.91 3m3j s THR 12 N 0.87 3.10 -0.17 3.43 2.01 -1.26 -0.72 115.64 122.89 3m3j s THR 12 Ca 0.40 -0.63 -0.05 0.00 0.31 0.00 0.00 61.69 61.72 3m3j s THR 12 Cb -0.18 -2.33 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 3m3j s THR 12 CO 0.19 0.50 0.01 -0.63 -0.69 0.00 0.00 174.62 174.00 3m3j s ILE 13 N 0.72 4.28 -0.22 1.82 1.01 0.13 -4.96 121.20 123.98 3m3j s ILE 13 Ca -0.05 -0.22 -0.09 0.00 0.00 0.00 0.00 60.65 60.30 3m3j s ILE 13 Cb -0.15 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 3m3j s ILE 13 CO 0.02 0.48 0.10 -0.89 0.00 0.00 0.00 174.94 174.65 3m3j s THR 14 N 0.40 4.91 0.10 2.92 2.01 -1.26 -0.03 115.64 124.69 3m3j s THR 14 Ca -0.01 0.02 0.10 0.00 0.31 0.00 0.00 61.69 62.11 3m3j s THR 14 Cb -0.13 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 3m3j s THR 14 CO 0.02 0.39 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.33 3m3j s LEU 15 N 0.90 2.27 -0.29 4.42 1.43 -0.32 -5.01 118.68 122.09 3m3j s LEU 15 Ca 0.05 -0.68 -0.16 0.00 -1.03 0.00 0.00 54.13 52.32 3m3j s LEU 15 Cb -0.13 -1.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.93 3m3j s LEU 15 CO 0.03 0.17 0.40 -0.70 0.23 0.00 0.00 176.35 176.48 3m3j s GLU 16 N -1.77 3.91 0.20 1.70 2.56 -1.26 -1.49 118.70 122.55 3m3j s GLU 16 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.97 55.06 3m3j s GLU 16 Cb -0.10 -3.69 -0.04 0.00 2.00 0.00 0.00 34.13 32.29 3m3j s GLU 16 CO 0.04 -0.36 0.09 0.14 -0.56 0.00 0.00 175.26 174.61 3m3j s VAL 17 N 2.13 0.29 0.11 3.70 -7.23 0.30 -4.93 120.40 114.76 3m3j s VAL 17 Ca 0.16 -1.98 0.07 0.00 -1.81 0.00 0.00 61.98 58.42 3m3j s VAL 17 Cb -0.16 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 3m3j s VAL 17 CO 0.11 -0.17 -0.11 -1.61 -0.31 0.00 0.00 175.10 173.01 3m3j s GLU 18 N -4.06 2.08 0.48 4.82 0.41 -1.26 -0.46 118.70 120.70 3m3j s GLU 18 Ca 0.33 -1.05 0.24 0.00 -0.41 0.00 0.00 54.97 54.09 3m3j s GLU 18 Cb 0.07 -2.28 1.28 0.00 -1.78 0.00 0.00 34.13 31.43 3m3j s GLU 18 CO 0.09 0.50 1.89 -1.35 -0.49 0.00 0.00 175.26 175.90 3m3j h PRO 19 N 3.62 0.19 0.00 0.39 0.11 -1.96 0.06 132.00 134.41 3m3j h PRO 19 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3m3j h PRO 19 Cb 1.17 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3m3j h PRO 19 CO 0.51 0.12 0.00 -1.13 -0.21 0.00 0.00 178.00 177.30 3m3j n SER 20 N -4.40 0.00 -4.75 -2.05 3.41 -1.26 -1.35 113.62 103.22 3m3j n SER 20 Ca 0.18 0.02 -0.41 0.00 -0.26 0.00 0.00 58.87 58.40 3m3j n SER 20 Cb 0.79 -0.33 -0.02 0.00 -0.26 0.00 0.00 64.21 64.38 3m3j n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3m3j s ASP 21 N -2.67 6.66 0.79 4.04 1.01 0.01 -4.78 116.67 121.72 3m3j s ASP 21 Ca 0.24 2.69 -0.12 0.00 0.71 0.00 0.00 52.55 56.07 3m3j s ASP 21 Cb 0.19 -2.63 0.06 0.00 1.01 0.00 0.00 42.92 41.55 3m3j s ASP 21 CO 0.45 -0.69 1.12 0.42 0.21 0.00 0.00 175.17 176.68 3m3j s THR 22 N -0.23 2.83 0.25 -1.27 -4.23 -1.26 -1.28 115.64 110.44 3m3j s THR 22 Ca 0.57 0.27 -0.06 0.00 -1.18 0.00 0.00 61.69 61.29 3m3j s THR 22 Cb -0.42 -3.14 0.26 0.00 1.34 0.00 0.00 72.50 70.53 3m3j s THR 22 CO 0.46 -0.35 1.93 0.40 -0.54 0.00 0.00 174.62 176.51 3m3j h ILE 23 N -1.01 1.26 -0.93 2.99 1.08 -0.92 -1.44 117.51 118.55 3m3j h ILE 23 Ca -0.47 -0.48 0.06 0.00 -0.39 0.00 0.00 64.86 63.58 3m3j h ILE 23 Cb 1.29 -0.22 -0.06 0.00 -3.07 0.00 0.00 36.82 34.76 3m3j h ILE 23 CO 0.62 0.25 0.59 -0.08 -0.69 0.00 0.00 178.15 178.85 3m3j h GLU 24 N 1.36 1.07 -0.77 2.37 4.57 -1.47 -0.09 114.58 121.61 3m3j h GLU 24 Ca 0.37 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.47 3m3j h GLU 24 Cb -0.15 -0.24 -0.04 0.00 -0.16 0.00 0.00 28.75 28.16 3m3j h GLU 24 CO -0.08 0.70 0.42 -0.91 -1.18 0.00 0.00 179.01 177.97 3m3j h ASN 25 N 1.10 0.95 -0.31 1.04 2.35 -1.57 -0.17 115.58 118.97 3m3j h ASN 25 Ca 0.39 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 56.03 3m3j h ASN 25 Cb 0.13 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3m3j h ASN 25 CO -0.16 0.77 0.04 0.58 -1.65 0.00 0.00 177.43 177.01 3m3j h VAL 26 N 1.07 1.24 -0.98 2.81 2.07 -0.52 -2.10 116.25 119.85 3m3j h VAL 26 Ca 0.27 -0.83 0.11 0.00 0.82 0.00 0.00 66.70 67.07 3m3j h VAL 26 Cb 0.02 1.17 -0.08 0.00 -1.52 0.00 0.00 31.29 30.89 3m3j h VAL 26 CO -0.04 0.27 0.61 0.11 0.02 0.00 0.00 177.57 178.54 3m3j h LYS 27 N 0.35 0.97 -0.60 1.57 1.57 -0.50 -0.96 116.57 118.96 3m3j h LYS 27 Ca 0.09 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 3m3j h LYS 27 Cb 0.36 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 3m3j h LYS 27 CO 0.01 0.64 0.13 0.00 -0.57 0.00 0.00 179.45 179.66 3m3j h ALA 28 N 1.51 1.10 -0.37 3.86 0.00 -0.71 -0.01 119.26 124.64 3m3j h ALA 28 Ca 0.47 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 3m3j h ALA 28 Cb 0.41 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3m3j h ALA 28 CO -0.25 0.60 -0.18 0.87 0.00 0.00 0.00 179.25 180.29 3m3j h LYS 29 N 0.90 0.69 -0.44 0.00 1.57 -0.61 -0.45 116.57 118.23 3m3j h LYS 29 Ca 0.19 -0.25 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 3m3j h LYS 29 Cb 0.34 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3m3j h LYS 29 CO 0.00 0.83 -0.16 0.82 -0.57 0.00 0.00 179.45 180.37 3m3j h ILE 30 N 0.62 1.27 -0.68 1.86 2.04 -0.83 -2.17 117.51 119.62 3m3j h ILE 30 Ca 0.10 -1.29 -0.00 0.00 1.00 0.00 0.00 64.86 64.66 3m3j h ILE 30 Cb 0.65 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 3m3j h ILE 30 CO 0.05 0.44 0.42 -0.61 0.00 0.00 0.00 178.15 178.44 3m3j h GLN 31 N 0.71 0.93 -0.73 2.37 4.15 -0.72 0.38 115.11 122.19 3m3j h GLN 31 Ca 0.10 -0.08 -0.06 0.00 0.77 0.00 0.00 58.65 59.39 3m3j h GLN 31 Cb 0.71 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 28.18 3m3j h GLN 31 CO 0.05 0.65 0.24 -0.44 -1.93 0.00 0.00 178.83 177.40 3m3j h ASP 32 N 0.93 1.04 0.27 -0.69 3.32 -0.93 0.17 116.42 120.54 3m3j h ASP 32 Ca 0.25 -0.19 -0.34 0.00 0.02 0.00 0.00 57.03 56.77 3m3j h ASP 32 Cb -0.04 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 39.25 3m3j h ASP 32 CO -0.05 0.96 -1.65 0.50 -1.72 0.00 0.00 179.24 177.29 3m3j h LYS 33 N 1.08 0.39 -0.00 3.56 3.64 -1.10 -3.40 116.57 120.73 3m3j h LYS 33 Ca 0.24 -0.66 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3m3j h LYS 33 Cb 0.29 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3m3j h LYS 33 CO -0.01 1.29 -0.07 0.39 -2.27 0.00 0.00 179.45 178.78 3m3j n GLU 34 N -3.58 3.85 -1.21 1.90 -0.58 0.13 -5.03 120.64 116.12 3m3j n GLU 34 Ca -0.21 -0.23 -0.07 0.00 -0.42 0.00 0.00 57.16 56.23 3m3j n GLU 34 Cb 1.07 -0.77 -0.03 0.00 -0.57 0.00 0.00 31.44 31.15 3m3j n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3m3j n GLY 35 N 0.74 0.92 3.64 0.62 0.00 0.59 -4.98 105.19 106.72 3m3j n GLY 35 Ca 0.01 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 3m3j n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m3j s ILE 36 N -2.21 5.06 0.30 -0.61 1.01 -1.26 -4.99 121.20 118.51 3m3j s ILE 36 Ca 0.00 0.97 -0.30 0.00 0.00 0.00 0.00 60.65 61.32 3m3j s ILE 36 Cb 0.00 -3.86 -0.11 0.00 0.01 0.00 0.00 42.46 38.50 3m3j s ILE 36 CO 0.00 0.11 1.55 -2.84 0.00 0.00 0.00 174.94 173.76 3m3j s PRO 37 N 2.08 4.14 0.34 2.79 0.02 -1.26 -3.89 135.00 139.23 3m3j s PRO 37 Ca 0.24 2.54 0.11 0.00 0.02 0.00 0.00 61.00 63.90 3m3j s PRO 37 Cb -0.16 -3.03 0.88 0.00 0.02 0.00 0.00 34.50 32.22 3m3j s PRO 37 CO 0.09 -0.58 1.79 -1.35 -0.33 0.00 0.00 177.00 176.62 3m3j h PRO 38 N 4.60 0.60 0.00 5.54 0.11 -1.95 -1.37 132.00 139.53 3m3j h PRO 38 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3m3j h PRO 38 Cb 1.22 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3m3j h PRO 38 CO 0.77 0.40 0.00 -0.40 -0.21 0.00 0.00 178.00 178.55 3m3j n ASP 39 N -4.70 0.35 -0.82 -2.05 5.68 -1.26 -1.56 116.55 112.20 3m3j n ASP 39 Ca 0.23 0.62 0.10 0.00 -0.50 0.00 0.00 54.79 55.24 3m3j n ASP 39 Cb 0.66 -0.68 0.09 0.00 -1.14 0.00 0.00 41.12 40.06 3m3j n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3m3j n GLN 40 N -1.92 1.84 -3.73 0.11 6.02 -0.52 -4.88 117.38 114.29 3m3j n GLN 40 Ca 0.01 -1.74 -0.37 0.00 -0.01 0.00 0.00 57.00 54.89 3m3j n GLN 40 Cb 0.13 -1.39 -0.06 0.00 1.02 0.00 0.00 30.24 29.93 3m3j n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3m3j s GLN 41 N -1.64 3.62 -0.10 -1.09 -0.21 -0.60 -0.47 119.66 119.17 3m3j s GLN 41 Ca 0.24 0.08 0.02 0.00 0.02 0.00 0.00 55.36 55.72 3m3j s GLN 41 Cb 0.17 -3.20 0.02 0.00 1.00 0.00 0.00 33.01 30.99 3m3j s GLN 41 CO 0.25 0.75 -0.14 1.03 -2.12 0.00 0.00 175.29 175.06 3m3j s ARG 42 N -1.05 2.01 -0.09 2.91 1.81 -0.04 -4.94 118.95 119.56 3m3j s ARG 42 Ca 0.18 -0.49 -0.03 0.00 -1.72 0.00 0.00 55.73 53.67 3m3j s ARG 42 Cb -0.14 -1.73 -0.04 0.00 -0.45 0.00 0.00 34.95 32.59 3m3j s ARG 42 CO 0.08 -0.06 0.06 -0.51 -0.68 0.00 0.00 175.30 174.18 3m3j s LEU 43 N 0.99 3.88 -0.04 2.53 1.43 -1.26 -1.11 118.68 125.10 3m3j s LEU 43 Ca -0.07 0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.31 3m3j s LEU 43 Cb -0.15 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.11 3m3j s LEU 43 CO -0.01 0.38 -0.14 -0.63 0.23 0.00 0.00 176.35 176.18 3m3j s ILE 44 N -0.97 1.19 -0.07 -0.59 1.01 0.44 -0.34 121.20 121.86 3m3j s ILE 44 Ca 0.15 -0.57 -0.08 0.00 0.00 0.00 0.00 60.65 60.15 3m3j s ILE 44 Cb -0.12 -1.04 0.02 0.00 0.01 0.00 0.00 42.46 41.34 3m3j s ILE 44 CO 0.04 0.35 0.22 0.12 0.00 0.00 0.00 174.94 175.67 3m3j s PHE 45 N 0.17 -0.21 -1.41 3.97 5.36 -0.48 -1.66 117.98 123.72 3m3j s PHE 45 Ca -0.05 0.49 -0.04 0.00 -0.96 0.00 0.00 56.93 56.37 3m3j s PHE 45 Cb -0.11 0.07 0.02 0.00 -0.34 0.00 0.00 43.02 42.66 3m3j s PHE 45 CO 0.02 -0.15 0.36 0.00 -1.46 0.00 0.00 175.22 173.99 3m3j n ALA 46 N 2.68 -0.91 -0.94 11.12 0.00 -1.26 -1.63 120.51 129.57 3m3j n ALA 46 Ca -0.14 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3m3j n ALA 46 Cb 0.58 -2.85 0.00 0.00 0.00 0.00 0.00 19.45 17.18 3m3j n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m3j n GLY 47 N -1.21 0.80 3.46 0.00 0.00 -1.26 -5.01 105.19 101.98 3m3j n GLY 47 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 3m3j n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3m3j s LYS 48 N -0.16 2.13 0.13 1.61 -2.85 -0.65 -5.10 119.74 114.85 3m3j s LYS 48 Ca 0.00 -0.95 -0.31 0.00 -1.00 0.00 0.00 55.97 53.71 3m3j s LYS 48 Cb 0.00 -2.22 -0.08 0.00 -2.06 0.00 0.00 37.83 33.47 3m3j s LYS 48 CO 0.00 0.55 1.38 -1.14 0.10 0.00 0.00 175.35 176.23 3m3j s GLN 49 N -1.38 4.33 0.35 1.78 0.74 -1.26 -1.38 119.66 122.84 3m3j s GLN 49 Ca 0.14 2.08 -0.13 0.00 0.05 0.00 0.00 55.36 57.50 3m3j s GLN 49 Cb -0.11 -3.24 -0.08 0.00 1.10 0.00 0.00 33.01 30.69 3m3j s GLN 49 CO 0.05 -0.40 0.74 -0.51 -0.55 0.00 0.00 175.29 174.62 3m3j s LEU 50 N 0.86 3.98 -0.00 3.68 2.01 0.53 -4.95 118.68 124.79 3m3j s LEU 50 Ca 0.63 1.22 -0.18 0.00 0.01 0.00 0.00 54.13 55.81 3m3j s LEU 50 Cb -0.37 -4.05 -0.06 0.00 0.01 0.00 0.00 46.19 41.72 3m3j s LEU 50 CO 0.32 -0.27 0.51 -1.61 1.01 0.00 0.00 176.35 176.31 3m3j s GLU 51 N -3.28 4.18 0.38 1.70 2.02 -1.26 -4.73 118.70 117.70 3m3j s GLU 51 Ca 0.53 0.59 0.08 0.00 0.02 0.00 0.00 54.97 56.20 3m3j s GLU 51 Cb -0.10 -3.29 0.83 0.00 0.10 0.00 0.00 34.13 31.66 3m3j s GLU 51 CO 0.22 0.50 1.96 -0.44 0.02 0.00 0.00 175.26 177.52 3m3j h ASP 52 N 5.24 0.58 0.08 -0.19 3.45 -1.97 -2.73 116.42 120.88 3m3j h ASP 52 Ca -0.48 0.01 0.00 0.00 0.43 0.00 0.00 57.03 56.99 3m3j h ASP 52 Cb 1.21 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.86 3m3j h ASP 52 CO 0.67 0.36 -0.10 0.61 -1.57 0.00 0.00 179.24 179.21 3m3j n GLY 53 N -1.47 -0.22 3.98 2.75 0.00 -1.26 -1.31 105.19 107.67 3m3j n GLY 53 Ca 0.11 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 3m3j n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m3j s ARG 54 N -2.19 3.08 0.29 1.61 0.52 -1.03 -4.90 118.95 116.33 3m3j s ARG 54 Ca 0.33 -0.89 0.06 0.00 -0.52 0.00 0.00 55.73 54.71 3m3j s ARG 54 Cb 0.20 -2.75 -0.02 0.00 0.52 0.00 0.00 34.95 32.90 3m3j s ARG 54 CO 0.40 -0.05 0.35 0.95 0.02 0.00 0.00 175.30 176.98 3m3j s THR 55 N -2.29 4.46 0.22 0.02 -4.23 -1.26 -0.96 115.64 111.60 3m3j s THR 55 Ca 0.46 -1.13 -0.07 0.00 -1.18 0.00 0.00 61.69 59.78 3m3j s THR 55 Cb -0.10 -3.53 0.17 0.00 1.34 0.00 0.00 72.50 70.39 3m3j s THR 55 CO 0.33 -0.25 1.79 -0.07 -0.54 0.00 0.00 174.62 175.87 3m3j h LEU 56 N 1.15 0.51 -1.25 4.79 3.38 -1.10 -1.51 115.31 121.28 3m3j h LEU 56 Ca -0.48 0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.56 3m3j h LEU 56 Cb 1.24 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 3m3j h LEU 56 CO 0.58 0.30 0.51 -1.28 0.09 0.00 0.00 178.44 178.64 3m3j h SER 57 N 0.64 0.86 -0.30 -0.43 0.87 -1.44 -1.42 113.55 112.34 3m3j h SER 57 Ca 0.35 -0.02 0.07 0.00 -1.23 0.00 0.00 61.79 60.96 3m3j h SER 57 Cb 0.33 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 3m3j h SER 57 CO -0.25 0.61 0.21 0.44 -0.53 0.00 0.00 176.83 177.32 3m3j h ASP 58 N 1.01 0.07 -0.40 6.23 3.45 -1.55 0.48 116.42 125.71 3m3j h ASP 58 Ca 0.29 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.75 3m3j h ASP 58 Cb -0.06 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 38.70 3m3j h ASP 58 CO -0.07 0.04 0.00 -1.22 -1.57 0.00 0.00 179.24 176.42 3m3j n TYR 59 N -4.46 0.52 -3.93 4.55 4.02 -0.68 -4.97 117.16 112.20 3m3j n TYR 59 Ca 0.04 -0.26 -0.27 0.00 -0.01 0.00 0.00 57.90 57.40 3m3j n TYR 59 Cb 0.33 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.64 3m3j n TYR 59 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3m3j n ASN 60 N 1.46 -1.70 -4.61 7.72 3.02 0.16 -4.94 115.26 116.37 3m3j n ASN 60 Ca 0.20 -0.93 -0.42 0.00 -0.03 0.00 0.00 54.58 53.40 3m3j n ASN 60 Cb 0.60 -3.37 -0.05 0.00 -0.61 0.00 0.00 39.78 36.35 3m3j n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3m3j s ILE 61 N -3.68 4.81 0.52 2.41 1.01 -0.62 -5.01 121.20 120.63 3m3j s ILE 61 Ca 0.23 1.16 0.06 0.00 0.00 0.00 0.00 60.65 62.10 3m3j s ILE 61 Cb -0.12 -4.13 0.03 0.00 0.01 0.00 0.00 42.46 38.25 3m3j s ILE 61 CO 0.87 -0.23 0.44 -1.10 0.00 0.00 0.00 174.94 174.91 3m3j s GLN 62 N 2.92 2.31 0.30 2.79 -1.52 -1.26 -4.50 119.66 120.70 3m3j s GLN 62 Ca 0.32 -1.88 -0.28 0.00 -1.95 0.00 0.00 55.36 51.56 3m3j s GLN 62 Cb -0.14 -2.21 -0.13 0.00 -0.22 0.00 0.00 33.01 30.31 3m3j s GLN 62 CO 0.12 -0.55 1.17 0.36 -0.25 0.00 0.00 175.29 176.14 3m3j n LYS 63 N -1.76 1.74 -0.93 2.91 2.85 -1.26 -1.87 118.16 119.83 3m3j n LYS 63 Ca 0.01 0.61 0.00 0.00 -1.05 0.00 0.00 58.31 57.89 3m3j n LYS 63 Cb 0.63 -2.10 0.00 0.00 -0.65 0.00 0.00 35.03 32.91 3m3j n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3m3j n GLU 64 N 0.79 -0.45 -1.45 -1.58 1.02 0.14 -5.00 120.64 114.11 3m3j n GLU 64 Ca 0.08 0.11 -0.32 0.00 -0.02 0.00 0.00 57.16 57.01 3m3j n GLU 64 Cb 0.33 -3.54 0.08 0.00 -0.02 0.00 0.00 31.44 28.29 3m3j n GLU 64 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3m3j s SER 65 N -2.24 4.71 -0.18 1.62 1.04 -0.78 -4.73 113.70 113.14 3m3j s SER 65 Ca 0.00 1.90 -0.03 0.00 0.48 0.00 0.00 55.95 58.30 3m3j s SER 65 Cb 0.00 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.57 3m3j s SER 65 CO 0.00 -1.90 -0.05 -0.89 0.98 0.00 0.00 173.24 171.38 3m3j s THR 66 N -2.67 3.55 0.19 2.02 2.01 -1.26 -1.22 115.64 118.26 3m3j s THR 66 Ca 0.64 -0.46 0.06 0.00 0.31 0.00 0.00 61.69 62.23 3m3j s THR 66 Cb -0.19 -2.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 3m3j s THR 66 CO 0.50 0.47 0.16 -0.76 -0.69 0.00 0.00 174.62 174.30 3m3j s LEU 67 N 0.80 3.83 0.03 4.42 1.02 0.33 -4.91 118.68 124.20 3m3j s LEU 67 Ca -0.02 -0.16 0.02 0.00 0.02 0.00 0.00 54.13 53.99 3m3j s LEU 67 Cb -0.15 -2.41 -0.04 0.00 0.02 0.00 0.00 46.19 43.61 3m3j s LEU 67 CO 0.02 0.03 0.03 -1.00 0.02 0.00 0.00 176.35 175.45 3m3j s HIS 68 N -1.87 3.13 -0.11 0.29 3.76 -0.67 -0.84 115.29 118.99 3m3j s HIS 68 Ca 0.32 0.09 0.02 0.00 -0.15 0.00 0.00 55.06 55.34 3m3j s HIS 68 Cb -0.09 -1.65 -0.01 0.00 1.11 0.00 0.00 32.58 31.93 3m3j s HIS 68 CO 0.24 0.50 -0.18 -1.17 -0.85 0.00 0.00 174.74 173.27 3m3j s LEU 69 N -1.89 2.42 0.17 0.89 2.96 0.16 -0.42 118.68 122.97 3m3j s LEU 69 Ca 0.23 -0.42 0.06 0.00 -0.22 0.00 0.00 54.13 53.78 3m3j s LEU 69 Cb -0.12 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 3m3j s LEU 69 CO 0.15 0.18 -0.13 0.68 -1.32 0.00 0.00 176.35 175.91 3m3j s VAL 70 N 0.22 1.43 0.07 1.68 -7.23 -0.26 -4.19 120.40 112.12 3m3j s VAL 70 Ca -0.12 -2.05 0.05 0.00 -1.81 0.00 0.00 61.98 58.05 3m3j s VAL 70 Cb -0.16 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 3m3j s VAL 70 CO 0.06 -0.62 -0.05 -0.76 -0.31 0.00 0.00 175.10 173.43 3m3j s LEU 71 N -3.08 3.27 -0.34 1.32 2.01 -1.26 -0.86 118.68 119.74 3m3j s LEU 71 Ca 0.17 -0.23 -0.11 0.00 0.01 0.00 0.00 54.13 53.98 3m3j s LEU 71 Cb -0.00 -1.99 0.01 0.00 0.01 0.00 0.00 46.19 44.21 3m3j s LEU 71 CO 0.04 0.21 0.19 -0.13 1.01 0.00 0.00 176.35 177.66 3m3j s ARG 72 N -2.04 3.15 -0.31 1.70 0.52 0.38 -4.96 118.95 117.38 3m3j s ARG 72 Ca 0.22 -0.86 0.03 0.00 -0.52 0.00 0.00 55.73 54.60 3m3j s ARG 72 Cb -0.11 -3.68 0.09 0.00 0.52 0.00 0.00 34.95 31.76 3m3j s ARG 72 CO 0.14 -0.54 0.03 -0.51 0.02 0.00 0.00 175.30 174.43 3m3j s LEU 73 N 1.61 3.98 -0.09 2.53 1.43 -1.26 -4.74 118.68 122.14 3m3j s LEU 73 Ca 0.04 -1.88 -0.29 0.00 -1.03 0.00 0.00 54.13 50.96 3m3j s LEU 73 Cb -0.18 -1.45 -0.07 0.00 0.03 0.00 0.00 46.19 44.52 3m3j s LEU 73 CO 0.07 -0.35 2.03 -0.60 0.23 0.00 0.00 176.35 177.74 3m3j s ARG 74 N 1.09 3.70 0.00 1.70 3.52 -1.26 -0.45 118.95 127.25 3m3j s ARG 74 Ca 0.07 2.29 0.00 0.00 -0.13 0.00 0.00 55.73 57.95 3m3j s ARG 74 Cb -0.19 -4.24 0.00 0.00 -1.56 0.00 0.00 34.95 28.97 3m3j s ARG 74 CO -0.10 -1.45 0.00 0.41 -0.81 0.00 0.00 175.30 173.35 3m3j n GLY 75 N 5.04 1.24 0.12 8.12 0.00 -1.26 -5.34 105.19 113.10 3m3j n GLY 75 Ca 0.24 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.27 3m3j n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93