#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1spk n SER 2 N 0.00 3.04 -4.44 1.61 2.88 -1.26 -4.74 113.62 110.71 1spk n SER 2 Ca 0.00 0.99 -0.49 0.00 -1.33 0.00 0.00 58.87 58.04 1spk n SER 2 Cb 0.00 -1.28 -0.08 0.00 -0.75 0.00 0.00 64.21 62.09 1spk n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1spk n SER 3 N 6.33 1.74 -1.48 -3.46 2.88 -1.26 -4.23 113.62 114.14 1spk n SER 3 Ca 0.25 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 1spk n SER 3 Cb 0.23 -1.21 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 1spk n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1spk n GLY 4 N 6.59 -4.62 3.18 0.46 0.00 -1.26 -5.07 105.19 104.46 1spk n GLY 4 Ca 0.46 -0.62 0.05 0.00 0.00 0.00 0.00 46.02 45.90 1spk n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1spk s SER 5 N -2.44 -0.37 -0.35 1.61 0.15 -1.26 -5.11 113.70 105.92 1spk s SER 5 Ca 0.00 0.29 -0.16 0.00 0.70 0.00 0.00 55.95 56.78 1spk s SER 5 Cb 0.00 1.34 -0.01 0.00 -1.71 0.00 0.00 66.02 65.64 1spk s SER 5 CO 0.00 -0.07 0.43 -0.55 1.20 0.00 0.00 173.24 174.25 1spk s SER 6 N 2.79 6.23 -0.31 5.45 0.15 -1.26 -4.84 113.70 121.91 1spk s SER 6 Ca -0.02 -0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.46 1spk s SER 6 Cb -0.08 -2.23 0.14 0.00 -1.71 0.00 0.00 66.02 62.14 1spk s SER 6 CO -0.12 -0.41 1.17 0.61 1.20 0.00 0.00 173.24 175.69 1spk n GLY 7 N 4.91 -1.06 3.11 9.45 0.00 -1.26 -4.73 105.19 115.61 1spk n GLY 7 Ca -0.07 0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 1spk n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1spk n GLN 8 N -0.18 -0.62 -4.90 1.61 3.00 -1.26 -3.94 117.38 111.09 1spk n GLN 8 Ca -0.21 -0.17 -0.31 0.00 -0.01 0.00 0.00 57.00 56.30 1spk n GLN 8 Cb 0.68 -1.29 -0.14 0.00 0.00 0.00 0.00 30.24 29.49 1spk n GLN 8 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1spk s LYS 9 N -2.59 1.98 0.12 -1.09 1.02 -1.26 -0.67 119.74 117.25 1spk s LYS 9 Ca 0.44 -1.01 0.06 0.00 0.02 0.00 0.00 55.97 55.48 1spk s LYS 9 Cb 0.00 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.19 1spk s LYS 9 CO 0.67 0.54 -0.14 0.14 -0.92 0.00 0.00 175.35 175.64 1spk s VAL 10 N -0.80 1.33 -0.08 3.17 -7.23 -0.98 -1.75 120.40 114.06 1spk s VAL 10 Ca 0.12 -1.73 0.04 0.00 -1.81 0.00 0.00 61.98 58.60 1spk s VAL 10 Cb -0.10 -1.55 -0.00 0.00 0.56 0.00 0.00 36.38 35.29 1spk s VAL 10 CO 0.02 -0.43 -0.22 -0.75 -0.31 0.00 0.00 175.10 173.41 1spk s LYS 11 N -2.72 2.64 0.00 4.82 2.20 0.33 -2.39 119.74 124.62 1spk s LYS 11 Ca 0.09 -0.81 -0.30 0.00 -0.36 0.00 0.00 55.97 54.60 1spk s LYS 11 Cb -0.05 -2.09 -0.04 0.00 -1.51 0.00 0.00 37.83 34.15 1spk s LYS 11 CO 0.03 0.22 1.11 0.95 -0.36 0.00 0.00 175.35 177.29 1spk s THR 12 N 0.22 4.44 -0.98 3.43 -4.23 -1.09 -0.22 115.64 117.20 1spk s THR 12 Ca -0.13 1.75 0.21 0.00 -1.18 0.00 0.00 61.69 62.34 1spk s THR 12 Cb -0.16 -4.12 -0.21 0.00 1.34 0.00 0.00 72.50 69.35 1spk s THR 12 CO 0.06 0.10 0.94 2.30 -0.54 0.00 0.00 174.62 177.48 1spk n ILE 13 N 4.11 0.00 -3.85 2.99 -5.35 -1.19 -0.84 119.36 115.24 1spk n ILE 13 Ca 0.08 -0.01 -0.12 0.00 -0.27 0.00 0.00 62.75 62.44 1spk n ILE 13 Cb 0.48 0.91 -0.10 0.00 -1.74 0.00 0.00 39.64 39.19 1spk n ILE 13 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1spk s PHE 14 N -3.01 -0.02 0.42 4.28 0.08 -1.26 -4.91 117.98 113.56 1spk s PHE 14 Ca 0.08 -0.00 -0.23 0.00 0.12 0.00 0.00 56.93 56.90 1spk s PHE 14 Cb 0.16 -0.01 -0.09 0.00 -0.57 0.00 0.00 43.02 42.51 1spk s PHE 14 CO 0.85 -0.29 1.05 -1.25 -0.10 0.00 0.00 175.22 175.48 1spk s PRO 15 N -1.24 4.05 -0.50 0.24 0.04 -1.26 -4.41 135.00 131.92 1spk s PRO 15 Ca -0.13 1.48 0.06 0.00 0.04 0.00 0.00 61.00 62.45 1spk s PRO 15 Cb -0.07 -2.41 0.21 0.00 0.04 0.00 0.00 34.50 32.27 1spk s PRO 15 CO 0.02 -0.23 0.80 1.58 0.04 0.00 0.00 177.00 179.21 1spk n HIS 16 N -0.33 -3.53 -2.53 0.56 -0.00 -1.24 -4.98 115.22 103.18 1spk n HIS 16 Ca 0.06 -1.45 -0.41 0.00 0.46 0.00 0.00 57.72 56.38 1spk n HIS 16 Cb 0.50 1.50 -0.04 0.00 -0.12 0.00 0.00 29.99 31.83 1spk n HIS 16 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 1spk s THR 17 N 0.80 3.91 -0.95 3.57 2.01 -1.26 -4.01 115.64 119.71 1spk s THR 17 Ca 0.30 1.65 -0.18 0.00 0.31 0.00 0.00 61.69 63.77 1spk s THR 17 Cb 0.08 -4.05 0.14 0.00 0.01 0.00 0.00 72.50 68.68 1spk s THR 17 CO -0.12 0.28 1.14 0.00 -0.69 0.00 0.00 174.62 175.24 1spk s ALA 18 N -0.23 3.46 0.00 7.40 0.00 -1.26 -4.92 121.76 126.21 1spk s ALA 18 Ca 0.49 -2.85 0.00 0.00 0.00 0.00 0.00 51.96 49.60 1spk s ALA 18 Cb -0.29 -4.03 0.00 0.00 0.00 0.00 0.00 23.12 18.80 1spk s ALA 18 CO 0.34 -2.93 0.00 0.41 0.00 0.00 0.00 175.76 173.59 1spk n GLY 19 N 5.29 1.84 0.26 0.00 0.00 -1.26 -4.68 105.19 106.64 1spk n GLY 19 Ca 0.25 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.31 1spk n GLY 19 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1spk h ASN 20 N 0.00 0.05 -1.87 1.61 -1.24 -2.03 -3.41 115.58 108.69 1spk h ASN 20 Ca 0.00 0.13 -0.30 0.00 0.71 0.00 0.00 56.30 56.85 1spk h ASN 20 Cb 0.00 0.17 0.16 0.00 0.73 0.00 0.00 38.32 39.38 1spk h ASN 20 CO 0.00 -0.01 -0.75 0.59 -1.29 0.00 0.00 177.43 175.98 1spk n ASN 21 N -5.13 -2.78 0.00 1.15 3.02 -1.26 -4.98 115.26 105.27 1spk n ASN 21 Ca 0.13 -0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 1spk n ASN 21 Cb 0.43 -0.77 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 1spk n ASN 21 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1spk n LYS 22 N -1.13 0.00 -1.12 3.52 5.02 -1.26 -4.86 118.16 118.32 1spk n LYS 22 Ca 0.03 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.14 1spk n LYS 22 Cb 0.44 -0.22 -0.13 0.00 -0.02 0.00 0.00 35.03 35.10 1spk n LYS 22 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1spk n THR 23 N -2.30 3.27 -3.74 -0.18 -2.24 -1.26 -4.76 114.28 103.08 1spk n THR 23 Ca 0.00 -1.88 -0.12 0.00 -2.27 0.00 0.00 64.05 59.78 1spk n THR 23 Cb 0.07 -2.04 -0.11 0.00 -2.10 0.00 0.00 70.33 66.15 1spk n THR 23 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1spk s LEU 24 N -0.27 0.45 0.09 3.22 1.43 -1.26 -4.04 118.68 118.30 1spk s LEU 24 Ca 0.66 0.71 -0.28 0.00 -1.03 0.00 0.00 54.13 54.20 1spk s LEU 24 Cb 0.31 1.15 -0.06 0.00 0.03 0.00 0.00 46.19 47.61 1spk s LEU 24 CO -0.04 -0.15 0.86 -0.22 0.23 0.00 0.00 176.35 177.04 1spk s LEU 25 N 0.66 4.49 -0.27 1.79 2.96 -1.07 -4.53 118.68 122.71 1spk s LEU 25 Ca -0.04 1.64 -0.12 0.00 -0.22 0.00 0.00 54.13 55.40 1spk s LEU 25 Cb -0.05 -3.42 -0.05 0.00 0.50 0.00 0.00 46.19 43.17 1spk s LEU 25 CO -0.04 -0.00 0.21 -0.94 -1.32 0.00 0.00 176.35 174.26 1spk s SER 26 N -0.16 6.07 0.32 3.68 1.04 -1.26 -4.05 113.70 119.33 1spk s SER 26 Ca 0.42 0.05 -0.18 0.00 0.48 0.00 0.00 55.95 56.73 1spk s SER 26 Cb -0.22 -2.13 0.03 0.00 0.10 0.00 0.00 66.02 63.80 1spk s SER 26 CO 0.27 -0.05 0.72 0.72 0.98 0.00 0.00 173.24 175.87 1spk s PHE 27 N 1.70 0.01 0.08 5.02 -0.12 -1.26 -4.90 117.98 118.51 1spk s PHE 27 Ca 0.08 -0.53 0.07 0.00 -0.05 0.00 0.00 56.93 56.50 1spk s PHE 27 Cb -0.16 0.69 -0.04 0.00 -0.63 0.00 0.00 43.02 42.89 1spk s PHE 27 CO 0.10 -1.34 -0.14 0.00 -0.05 0.00 0.00 175.22 173.79 1spk s ALA 28 N -3.32 2.79 0.11 1.99 0.00 -1.26 -3.67 121.76 118.41 1spk s ALA 28 Ca 0.14 -1.24 -0.35 0.00 0.00 0.00 0.00 51.96 50.51 1spk s ALA 28 Cb -0.05 -0.81 -0.16 0.00 0.00 0.00 0.00 23.12 22.10 1spk s ALA 28 CO 0.09 0.61 1.29 0.94 0.00 0.00 0.00 175.76 178.69 1spk n GLN 29 N 1.02 1.18 0.00 0.00 7.27 -1.26 -1.19 117.38 124.40 1spk n GLN 29 Ca -0.15 0.42 0.00 0.00 0.07 0.00 0.00 57.00 57.34 1spk n GLN 29 Cb 0.52 -2.03 0.00 0.00 2.41 0.00 0.00 30.24 31.15 1spk n GLN 29 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1spk n GLY 30 N 2.39 2.45 3.47 1.69 0.00 -0.02 -5.00 105.19 110.18 1spk n GLY 30 Ca 0.17 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 1spk n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1spk n ASP 31 N 0.27 -1.01 -4.43 1.61 9.92 -0.33 -4.54 116.55 118.04 1spk n ASP 31 Ca 0.00 0.67 -0.33 0.00 -0.53 0.00 0.00 54.79 54.60 1spk n ASP 31 Cb 0.00 -1.21 -0.14 0.00 -0.64 0.00 0.00 41.12 39.14 1spk n ASP 31 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1spk s VAL 32 N -1.79 3.13 0.02 2.53 1.01 -1.26 -2.69 120.40 121.34 1spk s VAL 32 Ca 0.68 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 62.08 1spk s VAL 32 Cb -0.39 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 1spk s VAL 32 CO 0.56 0.55 -0.24 -0.76 0.00 0.00 0.00 175.10 175.21 1spk s LEU 33 N -0.12 2.12 -0.22 3.92 1.43 -1.00 -3.14 118.68 121.66 1spk s LEU 33 Ca -0.01 -0.51 -0.16 0.00 -1.03 0.00 0.00 54.13 52.42 1spk s LEU 33 Cb -0.14 -1.18 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 1spk s LEU 33 CO 0.03 0.25 0.41 -0.89 0.23 0.00 0.00 176.35 176.39 1spk s THR 34 N -0.70 5.17 0.45 5.49 2.01 0.45 -2.31 115.64 126.21 1spk s THR 34 Ca 0.10 0.71 -0.23 0.00 0.31 0.00 0.00 61.69 62.58 1spk s THR 34 Cb -0.09 -3.74 -0.08 0.00 0.01 0.00 0.00 72.50 68.60 1spk s THR 34 CO 0.01 0.21 1.12 -0.76 -0.69 0.00 0.00 174.62 174.51 1spk s LEU 35 N 1.58 4.01 -0.07 4.42 1.02 0.15 0.19 118.68 129.98 1spk s LEU 35 Ca 0.19 2.19 -0.04 0.00 0.02 0.00 0.00 54.13 56.49 1spk s LEU 35 Cb -0.15 -4.28 -0.03 0.00 0.02 0.00 0.00 46.19 41.75 1spk s LEU 35 CO 0.08 -0.81 -0.09 0.18 0.02 0.00 0.00 176.35 175.73 1spk n LEU 36 N -0.48 0.65 -4.84 1.79 4.77 -1.21 -4.16 117.00 113.52 1spk n LEU 36 Ca 0.07 0.08 -0.37 0.00 -0.03 0.00 0.00 56.01 55.77 1spk n LEU 36 Cb 0.49 -0.22 -0.07 0.00 -2.33 0.00 0.00 43.42 41.30 1spk n LEU 36 CO 0.46 0.18 -0.15 0.27 -1.33 0.00 0.00 177.39 176.82 1spk s ILE 37 N -2.14 5.45 -0.67 -0.08 -4.36 -1.26 -4.77 121.20 113.37 1spk s ILE 37 Ca -0.10 0.26 0.24 0.00 -0.26 0.00 0.00 60.65 60.79 1spk s ILE 37 Cb 0.04 -3.45 0.25 0.00 1.25 0.00 0.00 42.46 40.56 1spk s ILE 37 CO 0.13 0.57 1.74 -0.81 0.24 0.00 0.00 174.94 176.81 1spk n PRO 38 N 2.40 0.19 -2.71 0.37 -0.04 -1.26 -4.78 135.00 129.17 1spk n PRO 38 Ca -0.18 0.29 -0.21 0.00 -0.04 0.00 0.00 63.50 63.35 1spk n PRO 38 Cb 0.54 -1.78 0.06 0.00 -0.04 0.00 0.00 33.50 32.27 1spk n PRO 38 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1spk s GLU 39 N -3.18 2.30 -0.02 0.54 2.56 -1.26 -5.12 118.70 114.53 1spk s GLU 39 Ca 0.08 -1.03 0.05 0.00 0.00 0.00 0.00 54.97 54.07 1spk s GLU 39 Cb 0.11 -2.49 -0.01 0.00 2.00 0.00 0.00 34.13 33.74 1spk s GLU 39 CO 0.48 -0.89 -0.18 -1.83 -0.56 0.00 0.00 175.26 172.28 1spk s GLU 40 N -4.81 1.54 -1.19 4.30 -1.05 -1.26 -4.67 118.70 111.55 1spk s GLU 40 Ca 0.60 -0.65 -0.14 0.00 -0.15 0.00 0.00 54.97 54.63 1spk s GLU 40 Cb -0.08 -1.46 -0.06 0.00 -0.44 0.00 0.00 34.13 32.09 1spk s GLU 40 CO 0.40 0.37 2.27 1.17 0.95 0.00 0.00 175.26 180.42 1spk n LYS 41 N 2.70 2.49 -3.48 -4.83 0.00 0.50 -4.36 118.16 111.18 1spk n LYS 41 Ca -0.15 -2.07 -0.22 0.00 0.00 0.00 0.00 58.31 55.86 1spk n LYS 41 Cb 0.54 -2.91 0.04 0.00 0.00 0.00 0.00 35.03 32.69 1spk n LYS 41 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1spk n ASP 42 N 5.58 -6.03 0.00 3.14 9.92 -1.26 -2.37 116.55 125.53 1spk n ASP 42 Ca 0.55 -0.80 0.00 0.00 -0.53 0.00 0.00 54.79 54.02 1spk n ASP 42 Cb 0.31 -4.03 0.00 0.00 -0.64 0.00 0.00 41.12 36.75 1spk n ASP 42 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1spk n GLY 43 N -1.57 3.03 3.81 0.44 0.00 -1.26 -5.03 105.19 104.62 1spk n GLY 43 Ca -0.09 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 44.78 1spk n GLY 43 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1spk s TRP 44 N -0.57 3.05 0.05 1.61 0.52 -1.00 -1.03 118.94 121.56 1spk s TRP 44 Ca 0.00 1.48 0.02 0.00 0.02 0.00 0.00 56.10 57.63 1spk s TRP 44 Cb 0.00 -2.96 -0.03 0.00 -1.15 0.00 0.00 33.47 29.34 1spk s TRP 44 CO 0.00 -1.10 -0.08 -0.51 0.02 0.00 0.00 176.95 175.28 1spk s LEU 45 N -4.76 2.27 0.19 2.99 1.43 0.32 0.19 118.68 121.31 1spk s LEU 45 Ca 0.62 -0.58 0.06 0.00 -1.03 0.00 0.00 54.13 53.20 1spk s LEU 45 Cb -0.15 -0.16 -0.04 0.00 0.03 0.00 0.00 46.19 45.87 1spk s LEU 45 CO 0.42 -0.22 0.13 -0.47 0.23 0.00 0.00 176.35 176.44 1spk s TYR 46 N -1.52 3.09 -0.01 0.29 5.04 -1.26 -1.96 117.35 121.02 1spk s TYR 46 Ca -0.09 -0.06 -0.15 0.00 -2.44 0.00 0.00 57.07 54.33 1spk s TYR 46 Cb -0.09 -1.46 0.05 0.00 0.35 0.00 0.00 41.96 40.81 1spk s TYR 46 CO 0.00 0.52 0.69 0.41 -1.34 0.00 0.00 175.55 175.84 1spk n GLY 47 N -0.58 0.41 3.33 8.97 0.00 -1.25 -3.31 105.19 112.77 1spk n GLY 47 Ca -0.08 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.67 1spk n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1spk s GLU 48 N -2.01 2.59 0.29 1.61 2.12 0.51 -3.43 118.70 120.38 1spk s GLU 48 Ca 0.16 -0.83 -0.29 0.00 0.36 0.00 0.00 54.97 54.38 1spk s GLU 48 Cb -0.00 -2.26 -0.09 0.00 0.26 0.00 0.00 34.13 32.03 1spk s GLU 48 CO -0.00 0.44 1.04 -1.58 -0.54 0.00 0.00 175.26 174.62 1spk s HIS 49 N -0.28 3.63 -0.51 5.30 5.65 -0.31 -0.41 115.29 128.37 1spk s HIS 49 Ca 0.01 1.75 -0.03 0.00 0.25 0.00 0.00 55.06 57.04 1spk s HIS 49 Cb -0.13 -3.17 0.20 0.00 -1.18 0.00 0.00 32.58 28.30 1spk s HIS 49 CO 0.03 -0.28 2.36 -3.47 -0.65 0.00 0.00 174.74 172.73 1spk n ASP 50 N 1.02 6.80 0.02 9.88 2.03 -1.19 -3.19 116.55 131.93 1spk n ASP 50 Ca -0.00 -3.34 0.00 0.00 0.52 0.00 0.00 54.79 51.97 1spk n ASP 50 Cb 0.46 -1.13 0.00 0.00 -0.72 0.00 0.00 41.12 39.73 1spk n ASP 50 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1spk n THR 51 N 0.28 0.00 0.24 5.18 -1.04 -1.26 -4.92 114.28 112.77 1spk n THR 51 Ca 0.47 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.59 1spk n THR 51 Cb 0.52 -0.00 0.59 0.00 -1.82 0.00 0.00 70.33 69.62 1spk n THR 51 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1spk h THR 52 N 0.00 0.54 0.00 12.58 1.35 -1.94 -3.45 112.91 121.99 1spk h THR 52 Ca 0.00 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 1spk h THR 52 Cb 0.00 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1spk h THR 52 CO 0.00 0.17 0.00 0.29 -0.25 0.00 0.00 175.52 175.73 1spk n LYS 53 N -3.49 0.00 -3.61 4.72 4.76 -1.19 -5.00 118.16 114.36 1spk n LYS 53 Ca -0.01 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.21 1spk n LYS 53 Cb 0.34 -2.58 -0.01 0.00 -1.84 0.00 0.00 35.03 30.93 1spk n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1spk s ALA 54 N -3.71 3.86 -0.05 7.82 0.00 -1.26 -4.76 121.76 123.65 1spk s ALA 54 Ca 0.00 -1.11 0.05 0.00 0.00 0.00 0.00 51.96 50.90 1spk s ALA 54 Cb 0.00 -1.91 -0.02 0.00 0.00 0.00 0.00 23.12 21.20 1spk s ALA 54 CO 0.00 0.06 -0.21 1.03 0.00 0.00 0.00 175.76 176.64 1spk s ARG 55 N -4.18 2.49 0.01 0.00 0.52 -1.26 -1.16 118.95 115.37 1spk s ARG 55 Ca 0.39 -0.84 0.00 0.00 -0.52 0.00 0.00 55.73 54.76 1spk s ARG 55 Cb -0.09 -2.22 -0.00 0.00 0.52 0.00 0.00 34.95 33.15 1spk s ARG 55 CO 0.33 0.48 0.01 0.41 0.02 0.00 0.00 175.30 176.54 1spk n GLY 56 N 2.69 4.06 3.49 -3.53 0.00 -1.22 -4.93 105.19 105.75 1spk n GLY 56 Ca -0.17 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 43.66 1spk n GLY 56 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1spk s TRP 57 N -1.70 2.89 0.02 1.61 0.52 -1.26 -3.79 118.94 117.23 1spk s TRP 57 Ca 0.01 -0.26 -0.04 0.00 0.02 0.00 0.00 56.10 55.83 1spk s TRP 57 Cb 0.00 -1.79 -0.01 0.00 -1.15 0.00 0.00 33.47 30.52 1spk s TRP 57 CO 0.01 0.08 0.06 -0.59 0.02 0.00 0.00 176.95 176.52 1spk s PHE 58 N -0.21 0.19 -0.11 -1.98 -0.12 -0.83 -2.61 117.98 112.31 1spk s PHE 58 Ca 0.02 -0.43 -0.30 0.00 -0.05 0.00 0.00 56.93 56.18 1spk s PHE 58 Cb -0.13 -0.14 -0.02 0.00 -0.63 0.00 0.00 43.02 42.09 1spk s PHE 58 CO 0.03 -0.28 1.25 -1.25 -0.05 0.00 0.00 175.22 174.92 1spk s PRO 59 N -1.86 4.28 0.62 1.99 0.04 -1.26 0.12 135.00 138.92 1spk s PRO 59 Ca -0.12 1.69 0.26 0.00 0.04 0.00 0.00 61.00 62.88 1spk s PRO 59 Cb -0.06 -3.68 1.28 0.00 0.04 0.00 0.00 34.50 32.08 1spk s PRO 59 CO -0.02 -0.60 1.71 0.66 0.04 0.00 0.00 177.00 178.79 1spk h SER 60 N 7.93 0.00 0.35 6.66 4.64 -1.36 1.55 113.55 133.32 1spk h SER 60 Ca -0.30 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.90 1spk h SER 60 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 1spk h SER 60 CO 0.93 0.00 -0.51 -1.28 -0.87 0.00 0.00 176.83 175.10 1spk h SER 61 N 0.00 0.20 -0.21 4.97 0.87 -1.90 -2.33 113.55 115.15 1spk h SER 61 Ca 0.20 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1spk h SER 61 Cb 1.46 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.36 1spk h SER 61 CO -0.00 0.68 0.00 -1.22 -0.53 0.00 0.00 176.83 175.75 1spk n TYR 62 N -3.94 0.28 -3.93 2.24 4.02 0.53 -4.82 117.16 111.54 1spk n TYR 62 Ca -0.02 -0.14 -0.10 0.00 -0.01 0.00 0.00 57.90 57.64 1spk n TYR 62 Cb 0.55 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.77 1spk n TYR 62 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1spk s THR 63 N -1.72 0.12 0.12 -0.72 -4.23 -0.88 -3.14 115.64 105.18 1spk s THR 63 Ca 0.14 -0.96 0.04 0.00 -1.18 0.00 0.00 61.69 59.73 1spk s THR 63 Cb 0.07 -0.63 -0.04 0.00 1.34 0.00 0.00 72.50 73.24 1spk s THR 63 CO 0.09 -0.53 -0.10 -0.54 -0.54 0.00 0.00 174.62 173.01 1spk s LYS 64 N -2.02 0.94 0.13 3.99 1.02 0.69 -4.83 119.74 119.65 1spk s LYS 64 Ca -0.10 -1.29 -0.30 0.00 0.02 0.00 0.00 55.97 54.30 1spk s LYS 64 Cb -0.05 -0.57 -0.07 0.00 -0.52 0.00 0.00 37.83 36.62 1spk s LYS 64 CO -0.02 0.08 1.14 -0.51 -0.92 0.00 0.00 175.35 175.11 1spk s LEU 65 N -2.76 4.44 1.24 3.17 1.43 -1.26 0.12 118.68 125.05 1spk s LEU 65 Ca 0.10 2.06 -0.15 0.00 -1.03 0.00 0.00 54.13 55.11 1spk s LEU 65 Cb -0.00 -3.59 0.30 0.00 0.03 0.00 0.00 46.19 42.92 1spk s LEU 65 CO 0.00 -0.32 0.87 0.18 0.23 0.00 0.00 176.35 177.31 1spk n LEU 66 N 2.99 -1.77 -3.25 1.79 4.77 -0.72 -4.79 117.00 116.02 1spk n LEU 66 Ca 0.05 -0.31 -0.05 0.00 -0.03 0.00 0.00 56.01 55.68 1spk n LEU 66 Cb 0.46 -1.17 -0.03 0.00 -2.33 0.00 0.00 43.42 40.35 1spk n LEU 66 CO 0.54 -3.54 -0.00 -0.44 -1.33 0.00 0.00 177.39 172.62 1spk s SER 67 N -2.41 -0.48 0.00 -1.43 0.01 -1.26 -5.05 113.70 103.08 1spk s SER 67 Ca 0.67 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.38 1spk s SER 67 Cb -0.22 1.47 0.00 0.00 0.21 0.00 0.00 66.02 67.48 1spk s SER 67 CO 0.64 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.63 1spk n GLY 68 N 4.94 2.75 3.81 3.44 0.00 -1.26 -5.11 105.19 113.75 1spk n GLY 68 Ca 0.06 -2.16 -0.33 0.00 0.00 0.00 0.00 46.02 43.60 1spk n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1spk s PRO 69 N -1.98 3.42 -0.06 1.61 0.04 -1.26 -5.06 135.00 131.71 1spk s PRO 69 Ca 0.00 1.18 -0.02 0.00 0.04 0.00 0.00 61.00 62.20 1spk s PRO 69 Cb 0.00 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.52 1spk s PRO 69 CO 0.00 -0.72 0.03 0.45 0.04 0.00 0.00 177.00 176.80 1spk s SER 70 N -2.79 1.39 0.62 6.66 0.15 -1.26 -5.09 113.70 113.39 1spk s SER 70 Ca 0.63 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 57.26 1spk s SER 70 Cb -0.15 -0.28 0.00 0.00 -1.71 0.00 0.00 66.02 63.87 1spk s SER 70 CO 0.35 -0.23 0.00 -1.20 1.20 0.00 0.00 173.24 173.37 1spk n SER 71 N 5.23 -7.97 0.00 5.45 7.64 -1.26 -5.36 113.62 117.36 1spk n SER 71 Ca -0.05 1.45 0.00 0.00 1.01 0.00 0.00 58.87 61.28 1spk n SER 71 Cb 0.50 -5.00 0.00 0.00 -1.01 0.00 0.00 64.21 58.70 1spk n SER 71 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64