#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t0g n GLY 2 N 0.00 0.78 0.05 3.03 0.00 -1.26 -4.32 105.19 103.47 1t0g n GLY 2 Ca 0.00 -0.72 -0.03 0.00 0.00 0.00 0.00 46.02 45.27 1t0g n GLY 2 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1t0g h HIS 3 N 0.00 0.00 0.00 1.61 3.86 -2.09 -3.46 115.15 115.07 1t0g h HIS 3 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1t0g h HIS 3 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1t0g h HIS 3 CO 0.00 0.00 0.00 1.58 0.86 0.00 0.00 177.93 180.37 1t0g n HIS 4 N -4.01 0.00 -2.26 2.45 -0.00 -1.26 -5.16 115.22 104.99 1t0g n HIS 4 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.67 1t0g n HIS 4 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.16 1t0g n HIS 4 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1t0g n HIS 5 N -0.32 -1.42 -1.26 1.57 -0.00 -1.26 -4.86 115.22 107.66 1t0g n HIS 5 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.63 1t0g n HIS 5 Cb 0.00 0.13 -0.04 0.00 -0.00 0.00 0.00 29.99 30.09 1t0g n HIS 5 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1t0g n HIS 6 N -0.88 0.00 -3.17 -1.40 -0.00 -1.26 -4.98 115.22 103.53 1t0g n HIS 6 Ca 0.00 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.89 1t0g n HIS 6 Cb 0.00 -1.92 -0.03 0.00 -0.12 0.00 0.00 29.99 27.92 1t0g n HIS 6 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1t0g s HIS 7 N -2.20 3.47 0.00 1.57 3.76 -1.26 -4.30 115.29 116.33 1t0g s HIS 7 Ca 0.00 0.80 0.00 0.00 -0.15 0.00 0.00 55.06 55.71 1t0g s HIS 7 Cb 0.00 -2.24 0.00 0.00 1.11 0.00 0.00 32.58 31.45 1t0g s HIS 7 CO 0.00 0.08 0.00 0.72 -0.85 0.00 0.00 174.74 174.69 1t0g n HIS 8 N -1.02 0.00 -3.96 1.40 8.25 -1.26 -4.58 115.22 114.06 1t0g n HIS 8 Ca -0.00 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 1t0g n HIS 8 Cb 0.54 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.66 1t0g n HIS 8 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 1t0g s LEU 9 N 0.00 0.01 -0.05 2.41 2.34 -1.26 -5.07 118.68 117.05 1t0g s LEU 9 Ca 0.00 -0.35 -0.01 0.00 0.06 0.00 0.00 54.13 53.83 1t0g s LEU 9 Cb 0.00 1.55 0.03 0.00 -0.56 0.00 0.00 46.19 47.20 1t0g s LEU 9 CO 0.00 -0.50 0.01 -0.70 -1.06 0.00 0.00 176.35 174.09 1t0g s GLU 10 N -2.05 0.44 -0.33 1.48 2.12 -0.33 -4.68 118.70 115.35 1t0g s GLU 10 Ca 0.27 0.13 -0.24 0.00 0.36 0.00 0.00 54.97 55.49 1t0g s GLU 10 Cb -0.01 -0.76 0.01 0.00 0.26 0.00 0.00 34.13 33.62 1t0g s GLU 10 CO 0.01 -0.24 0.83 -2.00 -0.54 0.00 0.00 175.26 173.32 1t0g s GLU 11 N 1.67 3.90 -0.02 4.30 2.12 -1.26 -0.97 118.70 128.45 1t0g s GLU 11 Ca -0.00 0.56 -0.02 0.00 0.36 0.00 0.00 54.97 55.87 1t0g s GLU 11 Cb -0.13 -3.76 -0.04 0.00 0.26 0.00 0.00 34.13 30.47 1t0g s GLU 11 CO -0.03 -0.77 0.13 -0.06 -0.54 0.00 0.00 175.26 173.98 1t0g s PHE 12 N 3.11 3.42 0.01 5.30 0.08 0.90 -4.95 117.98 125.85 1t0g s PHE 12 Ca 0.34 0.30 -0.00 0.00 0.12 0.00 0.00 56.93 57.69 1t0g s PHE 12 Cb -0.13 -1.80 -0.04 0.00 -0.57 0.00 0.00 43.02 40.48 1t0g s PHE 12 CO 0.15 0.61 0.10 0.99 -0.10 0.00 0.00 175.22 176.96 1t0g s THR 13 N -1.22 4.83 0.13 0.64 2.01 -1.26 0.62 115.64 121.39 1t0g s THR 13 Ca 0.23 -0.41 -0.17 0.00 0.31 0.00 0.00 61.69 61.65 1t0g s THR 13 Cb -0.12 -3.23 -0.02 0.00 0.01 0.00 0.00 72.50 69.14 1t0g s THR 13 CO 0.14 0.31 1.69 0.00 -0.69 0.00 0.00 174.62 176.07 1t0g h ALA 14 N 3.93 0.47 -0.51 7.40 0.00 -1.31 0.52 119.26 129.76 1t0g h ALA 14 Ca -0.49 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 1t0g h ALA 14 Cb 1.18 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1t0g h ALA 14 CO 0.64 0.05 0.19 1.49 0.00 0.00 0.00 179.25 181.62 1t0g h GLU 15 N 0.44 0.74 0.00 0.00 4.22 -1.96 -1.82 114.58 116.21 1t0g h GLU 15 Ca 0.12 -0.12 -0.19 0.00 0.08 0.00 0.00 59.36 59.26 1t0g h GLU 15 Cb 0.16 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1t0g h GLU 15 CO -0.01 0.63 -0.86 1.96 -2.18 0.00 0.00 179.01 178.55 1t0g h GLN 16 N 0.73 0.11 0.00 1.92 4.20 -1.76 -3.01 115.11 117.30 1t0g h GLN 16 Ca 0.17 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1t0g h GLN 16 Cb 0.18 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1t0g h GLN 16 CO -0.01 0.90 -0.20 1.25 -0.67 0.00 0.00 178.83 180.09 1t0g h LEU 17 N 0.06 0.00 -1.01 1.46 5.85 0.82 -3.01 115.31 119.48 1t0g h LEU 17 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1t0g h LEU 17 Cb 1.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.52 1t0g h LEU 17 CO 0.12 0.20 0.00 -0.24 -0.34 0.00 0.00 178.44 178.18 1t0g n SER 18 N -3.84 0.57 0.00 1.25 2.88 -0.83 -0.63 113.62 113.01 1t0g n SER 18 Ca -0.02 -1.12 0.00 0.00 -1.33 0.00 0.00 58.87 56.41 1t0g n SER 18 Cb 0.30 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 1t0g n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t0g n GLN 19 N 0.23 -0.08 -1.21 -1.46 6.02 -1.14 -4.63 117.38 115.11 1t0g n GLN 19 Ca 0.00 -0.69 -0.13 0.00 -0.01 0.00 0.00 57.00 56.18 1t0g n GLN 19 Cb 0.14 -0.97 0.13 0.00 1.02 0.00 0.00 30.24 30.57 1t0g n GLN 19 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1t0g n TYR 20 N -0.11 1.70 0.50 1.08 4.01 0.20 -4.61 117.16 119.93 1t0g n TYR 20 Ca 0.00 -1.95 0.13 0.00 -0.16 0.00 0.00 57.90 55.92 1t0g n TYR 20 Cb 0.07 -0.53 0.35 0.00 -0.31 0.00 0.00 39.34 38.92 1t0g n TYR 20 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 1t0g h ASN 21 N 1.47 0.00 0.00 7.72 2.35 -1.76 -3.11 115.58 122.24 1t0g h ASN 21 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1t0g h ASN 21 Cb 1.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.82 1t0g h ASN 21 CO 0.60 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.99 1t0g n GLY 22 N 1.18 0.90 0.13 2.83 0.00 -1.26 -4.41 105.19 104.56 1t0g n GLY 22 Ca 0.05 -0.57 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 1t0g n GLY 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1t0g n THR 23 N -2.70 1.58 -3.43 2.61 -1.04 -1.26 -3.88 114.28 106.16 1t0g n THR 23 Ca 0.00 -0.61 -0.44 0.00 -2.04 0.00 0.00 64.05 60.97 1t0g n THR 23 Cb 0.19 -1.49 -0.09 0.00 -1.82 0.00 0.00 70.33 67.13 1t0g n THR 23 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1t0g s ASP 24 N -6.65 6.10 -1.95 8.00 1.01 -1.26 -4.50 116.67 117.42 1t0g s ASP 24 Ca -0.30 -1.19 0.00 0.00 0.71 0.00 0.00 52.55 51.77 1t0g s ASP 24 Cb 0.08 -2.16 0.00 0.00 1.01 0.00 0.00 42.92 41.85 1t0g s ASP 24 CO 0.66 -0.57 0.00 -0.62 0.21 0.00 0.00 175.17 174.85 1t0g n GLU 25 N 5.17 -1.44 -3.32 8.23 1.02 -1.26 -2.00 120.64 127.05 1t0g n GLU 25 Ca -0.12 1.10 -0.21 0.00 -0.02 0.00 0.00 57.16 57.91 1t0g n GLU 25 Cb 0.45 -5.45 0.06 0.00 -0.02 0.00 0.00 31.44 26.47 1t0g n GLU 25 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1t0g n SER 26 N -1.15 -5.87 -4.72 1.62 2.88 -1.26 -4.99 113.62 100.14 1t0g n SER 26 Ca -0.18 -0.41 -0.33 0.00 -1.33 0.00 0.00 58.87 56.61 1t0g n SER 26 Cb 0.62 -4.55 0.11 0.00 -0.75 0.00 0.00 64.21 59.64 1t0g n SER 26 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1t0g s LYS 27 N -6.00 1.95 0.17 -1.46 1.02 -0.85 -4.89 119.74 109.68 1t0g s LYS 27 Ca 0.45 1.66 -0.31 0.00 0.02 0.00 0.00 55.97 57.79 1t0g s LYS 27 Cb -0.20 -1.82 -0.17 0.00 -0.52 0.00 0.00 37.83 35.12 1t0g s LYS 27 CO 0.56 -1.95 0.76 -2.30 -0.92 0.00 0.00 175.35 171.50 1t0g n PRO 28 N -3.06 0.30 -4.02 -1.68 -0.02 -1.26 -4.04 135.00 121.22 1t0g n PRO 28 Ca 0.13 0.11 -0.36 0.00 -2.02 0.00 0.00 63.50 61.36 1t0g n PRO 28 Cb 0.51 -1.31 -0.08 0.00 -0.02 0.00 0.00 33.50 32.60 1t0g n PRO 28 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1t0g s ILE 29 N -0.71 5.05 0.02 4.25 1.09 -1.26 -4.59 121.20 125.06 1t0g s ILE 29 Ca 0.70 0.04 0.00 0.00 -1.10 0.00 0.00 60.65 60.29 1t0g s ILE 29 Cb -0.96 -3.21 -0.02 0.00 -1.06 0.00 0.00 42.46 37.22 1t0g s ILE 29 CO 0.56 0.57 -0.03 -0.31 -0.10 0.00 0.00 174.94 175.63 1t0g s TYR 30 N -0.61 0.28 -0.06 3.97 2.02 -1.19 -1.26 117.35 120.51 1t0g s TYR 30 Ca 0.12 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.42 1t0g s TYR 30 Cb -0.12 -0.19 0.02 0.00 -0.40 0.00 0.00 41.96 41.27 1t0g s TYR 30 CO 0.02 -0.13 -0.07 0.54 -1.57 0.00 0.00 175.55 174.34 1t0g s VAL 31 N -1.11 0.79 -0.07 0.71 0.11 -0.37 -0.14 120.40 120.31 1t0g s VAL 31 Ca -0.11 -0.26 -0.01 0.00 -2.93 0.00 0.00 61.98 58.67 1t0g s VAL 31 Cb -0.08 -0.78 -0.03 0.00 -1.53 0.00 0.00 36.38 33.96 1t0g s VAL 31 CO -0.01 0.29 -0.02 0.00 -3.33 0.00 0.00 175.10 172.04 1t0g s ALA 32 N 0.95 3.21 -0.13 1.54 0.00 0.33 0.19 121.76 127.86 1t0g s ALA 32 Ca -0.10 -0.84 -0.02 0.00 0.00 0.00 0.00 51.96 51.00 1t0g s ALA 32 Cb -0.15 -1.41 0.04 0.00 0.00 0.00 0.00 23.12 21.61 1t0g s ALA 32 CO 0.00 0.59 0.00 0.42 0.00 0.00 0.00 175.76 176.78 1t0g s ILE 33 N -0.88 0.54 -1.77 0.00 1.01 0.63 -0.62 121.20 120.11 1t0g s ILE 33 Ca 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.57 1t0g s ILE 33 Cb -0.11 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.54 1t0g s ILE 33 CO 0.03 0.10 0.00 1.17 0.00 0.00 0.00 174.94 176.23 1t0g n LYS 34 N 5.07 -1.45 -0.07 2.79 4.81 -1.26 -1.07 118.16 126.98 1t0g n LYS 34 Ca -0.09 1.01 0.00 0.00 -0.87 0.00 0.00 58.31 58.37 1t0g n LYS 34 Cb 0.49 -5.48 0.00 0.00 0.02 0.00 0.00 35.03 30.06 1t0g n LYS 34 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1t0g n GLY 35 N -0.88 0.49 3.54 3.14 0.00 -1.26 -5.01 105.19 105.20 1t0g n GLY 35 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 1t0g n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t0g s ARG 36 N -0.92 3.83 -0.22 1.61 0.52 -0.23 -0.11 118.95 123.43 1t0g s ARG 36 Ca 0.00 -0.39 -0.20 0.00 -0.52 0.00 0.00 55.73 54.62 1t0g s ARG 36 Cb 0.00 -3.46 -0.02 0.00 0.52 0.00 0.00 34.95 31.99 1t0g s ARG 36 CO 0.00 -0.12 0.61 0.08 0.02 0.00 0.00 175.30 175.89 1t0g s VAL 37 N 1.50 5.02 0.04 3.52 1.01 -0.12 -0.27 120.40 131.10 1t0g s VAL 37 Ca 0.06 1.11 0.02 0.00 0.00 0.00 0.00 61.98 63.18 1t0g s VAL 37 Cb -0.15 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1t0g s VAL 37 CO 0.06 0.09 0.04 -0.36 0.00 0.00 0.00 175.10 174.93 1t0g s PHE 38 N 2.13 3.14 -0.20 5.22 0.40 0.13 0.40 117.98 129.21 1t0g s PHE 38 Ca 0.27 0.09 -0.18 0.00 -0.60 0.00 0.00 56.93 56.50 1t0g s PHE 38 Cb -0.16 -1.64 -0.03 0.00 0.51 0.00 0.00 43.02 41.70 1t0g s PHE 38 CO 0.09 0.50 0.50 0.34 0.70 0.00 0.00 175.22 177.36 1t0g s ASP 39 N -2.00 6.54 -0.17 1.36 -1.08 -0.94 -1.24 116.67 119.14 1t0g s ASP 39 Ca 0.25 0.64 0.16 0.00 -0.52 0.00 0.00 52.55 53.08 1t0g s ASP 39 Cb -0.12 -2.28 0.36 0.00 -1.46 0.00 0.00 42.92 39.42 1t0g s ASP 39 CO 0.16 -0.17 1.21 1.33 0.52 0.00 0.00 175.17 178.22 1t0g n VAL 40 N 4.54 2.05 0.23 1.11 0.24 -0.39 -4.50 118.33 121.62 1t0g n VAL 40 Ca -0.05 -2.56 0.11 0.00 -2.04 0.00 0.00 64.34 59.80 1t0g n VAL 40 Cb 0.50 -0.25 0.52 0.00 -1.47 0.00 0.00 33.84 33.15 1t0g n VAL 40 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1t0g h THR 41 N 0.48 0.49 0.00 3.34 2.02 -1.88 -0.04 112.91 117.31 1t0g h THR 41 Ca 0.01 -0.98 -0.02 0.00 0.77 0.00 0.00 66.41 66.19 1t0g h THR 41 Cb 1.07 1.68 -0.00 0.00 -1.74 0.00 0.00 68.15 69.16 1t0g h THR 41 CO 0.04 0.18 -0.11 0.00 0.37 0.00 0.00 175.52 176.00 1t0g h THR 42 N 0.00 0.36 -0.54 3.16 1.03 -1.90 -2.70 112.91 112.31 1t0g h THR 42 Ca -0.00 -0.66 -0.39 0.00 -0.01 0.00 0.00 66.41 65.34 1t0g h THR 42 Cb 0.67 1.49 -0.30 0.00 -1.07 0.00 0.00 68.15 68.94 1t0g h THR 42 CO 0.02 0.11 -0.68 0.61 -0.01 0.00 0.00 175.52 175.57 1t0g n GLY 43 N -0.27 6.02 0.30 2.99 0.00 -0.08 -4.78 105.19 109.37 1t0g n GLY 43 Ca -0.01 -2.26 0.13 0.00 0.00 0.00 0.00 46.02 43.88 1t0g n GLY 43 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1t0g h LYS 44 N 1.83 0.00 0.00 1.61 3.11 -1.09 0.12 116.57 122.14 1t0g h LYS 44 Ca 0.27 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 58.09 1t0g h LYS 44 Cb 1.38 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.61 1t0g h LYS 44 CO 0.56 0.00 -0.08 0.77 -2.81 0.00 0.00 179.45 177.89 1t0g h SER 45 N 0.00 0.00 0.00 4.20 0.02 -1.86 0.01 113.55 115.92 1t0g h SER 45 Ca 0.05 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.75 1t0g h SER 45 Cb 0.22 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.72 1t0g h SER 45 CO -0.00 0.08 -1.94 0.49 -1.14 0.00 0.00 176.83 174.33 1t0g n PHE 46 N -3.24 0.00 -0.03 3.45 3.72 0.21 -4.59 117.46 116.97 1t0g n PHE 46 Ca 0.00 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.42 1t0g n PHE 46 Cb 0.33 -0.66 -0.12 0.00 -0.94 0.00 0.00 39.48 38.09 1t0g n PHE 46 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1t0g n TYR 47 N -2.70 0.00 0.00 1.38 4.02 -0.08 -1.10 117.16 118.68 1t0g n TYR 47 Ca -0.25 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.64 1t0g n TYR 47 Cb 0.89 -0.51 0.00 0.00 -0.02 0.00 0.00 39.34 39.70 1t0g n TYR 47 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1t0g n GLY 48 N 1.80 -1.16 0.09 2.72 0.00 -0.01 -3.68 105.19 104.95 1t0g n GLY 48 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 1t0g n GLY 48 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1t0g h SER 49 N 0.00 0.20 0.00 1.61 0.02 -1.72 -3.41 113.55 110.25 1t0g h SER 49 Ca 0.00 -0.29 -0.21 0.00 -0.84 0.00 0.00 61.79 60.45 1t0g h SER 49 Cb 0.00 -0.06 -0.15 0.00 0.14 0.00 0.00 62.40 62.33 1t0g h SER 49 CO 0.00 1.25 -0.33 0.61 -1.14 0.00 0.00 176.83 177.21 1t0g n GLY 50 N 1.58 1.47 3.98 -3.77 0.00 -1.26 -4.94 105.19 102.25 1t0g n GLY 50 Ca -0.14 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 1t0g n GLY 50 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1t0g s GLY 51 N -1.18 1.82 0.18 -0.02 0.00 -1.26 -4.98 107.32 101.87 1t0g s GLY 51 Ca 0.19 -1.45 0.26 0.00 0.00 0.00 0.00 44.72 43.72 1t0g s GLY 51 CO -0.10 -1.11 1.79 1.34 0.00 0.00 0.00 173.10 175.02 1t0g n ASP 52 N -2.41 0.64 -0.52 1.64 2.03 -0.79 -2.92 116.55 114.22 1t0g n ASP 52 Ca 0.10 0.57 0.08 0.00 0.52 0.00 0.00 54.79 56.06 1t0g n ASP 52 Cb 0.60 -0.74 0.18 0.00 -0.72 0.00 0.00 41.12 40.44 1t0g n ASP 52 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1t0g n TYR 53 N -2.11 0.50 0.18 -0.67 4.02 -0.26 -4.71 117.16 114.11 1t0g n TYR 53 Ca 0.05 -0.84 0.02 0.00 -0.01 0.00 0.00 57.90 57.13 1t0g n TYR 53 Cb 0.39 -0.20 0.11 0.00 -0.02 0.00 0.00 39.34 39.61 1t0g n TYR 53 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1t0g n SER 54 N -0.69 0.00 0.05 7.72 7.64 -1.15 -2.30 113.62 124.90 1t0g n SER 54 Ca 0.16 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.45 1t0g n SER 54 Cb 0.70 -0.43 0.31 0.00 -1.01 0.00 0.00 64.21 63.78 1t0g n SER 54 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1t0g h MET 55 N 0.00 0.40 0.00 1.43 2.86 -1.85 -2.85 114.93 114.92 1t0g h MET 55 Ca 0.00 -0.10 -0.23 0.00 -2.06 0.00 0.00 59.70 57.31 1t0g h MET 55 Cb 0.07 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 1t0g h MET 55 CO 0.00 0.52 -1.17 0.74 1.06 0.00 0.00 176.91 178.06 1t0g h PHE 56 N 0.37 0.00 -1.83 -0.22 0.04 -1.80 -3.44 116.94 110.06 1t0g h PHE 56 Ca 0.07 -0.00 -0.61 0.00 2.80 0.00 0.00 57.97 60.23 1t0g h PHE 56 Cb 0.43 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.58 1t0g h PHE 56 CO 0.01 1.00 1.36 0.00 -0.60 0.00 0.00 178.31 180.08 1t0g n ALA 57 N -2.40 1.39 -0.54 2.45 0.00 -1.08 -1.69 120.51 118.65 1t0g n ALA 57 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1t0g n ALA 57 Cb 0.97 -2.71 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1t0g n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t0g n GLY 58 N 5.50 0.73 3.19 0.00 0.00 0.80 -4.36 105.19 111.04 1t0g n GLY 58 Ca 0.30 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.17 1t0g n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t0g s LYS 59 N -0.51 0.98 -0.07 1.61 1.02 -0.68 -2.46 119.74 119.63 1t0g s LYS 59 Ca 0.00 -1.38 -0.12 0.00 0.02 0.00 0.00 55.97 54.49 1t0g s LYS 59 Cb 0.00 0.27 -0.05 0.00 -0.52 0.00 0.00 37.83 37.53 1t0g s LYS 59 CO 0.00 -0.30 0.30 0.34 -0.92 0.00 0.00 175.35 174.77 1t0g s ASP 60 N -3.03 6.60 -0.19 2.83 -1.08 -1.26 -0.51 116.67 120.03 1t0g s ASP 60 Ca 0.23 0.72 0.12 0.00 -0.52 0.00 0.00 52.55 53.09 1t0g s ASP 60 Cb 0.06 -2.18 0.42 0.00 -1.46 0.00 0.00 42.92 39.76 1t0g s ASP 60 CO 0.01 0.30 1.21 0.00 0.52 0.00 0.00 175.17 177.22 1t0g n ALA 61 N 2.26 3.54 -0.13 3.66 0.00 0.21 -2.35 120.51 127.70 1t0g n ALA 61 Ca -0.15 -3.22 -0.04 0.00 0.00 0.00 0.00 53.44 50.03 1t0g n ALA 61 Cb 0.53 -0.38 0.04 0.00 0.00 0.00 0.00 19.45 19.64 1t0g n ALA 61 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1t0g h SER 62 N 0.98 -0.03 0.52 0.00 0.02 -1.69 0.29 113.55 113.64 1t0g h SER 62 Ca -0.02 0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.89 1t0g h SER 62 Cb 1.07 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 1t0g h SER 62 CO 0.01 0.02 -0.57 -0.09 -1.14 0.00 0.00 176.83 175.06 1t0g h ARG 63 N 0.19 0.05 -0.01 3.45 2.43 -1.62 -2.64 114.38 116.23 1t0g h ARG 63 Ca 0.21 -0.03 -0.21 0.00 -0.81 0.00 0.00 59.98 59.13 1t0g h ARG 63 Cb 0.26 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1t0g h ARG 63 CO -0.28 0.60 -0.90 0.00 -1.51 0.00 0.00 179.97 177.88 1t0g h ALA 64 N 1.39 0.43 -0.27 2.80 0.00 -0.52 -2.62 119.26 120.47 1t0g h ALA 64 Ca -0.00 -0.70 -0.14 0.00 0.00 0.00 0.00 54.91 54.07 1t0g h ALA 64 Cb 1.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1t0g h ALA 64 CO 0.08 0.83 -0.40 -0.07 0.00 0.00 0.00 179.25 179.69 1t0g h LEU 65 N 0.21 0.68 -0.49 0.00 3.38 -0.46 0.51 115.31 119.13 1t0g h LEU 65 Ca -0.07 -0.31 -0.17 0.00 0.09 0.00 0.00 57.88 57.43 1t0g h LEU 65 Cb 1.53 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 1t0g h LEU 65 CO 0.15 1.00 -0.74 1.23 0.09 0.00 0.00 178.44 180.17 1t0g h GLY 66 N 1.00 0.15 0.71 0.83 0.00 -1.33 -3.23 103.07 101.22 1t0g h GLY 66 Ca 0.04 -0.23 -0.23 0.00 0.00 0.00 0.00 47.33 46.91 1t0g h GLY 66 CO 0.08 0.21 -1.73 0.28 0.00 0.00 0.00 176.54 175.38 1t0g n LYS 67 N -3.73 0.64 -0.88 4.80 5.02 -1.00 -4.62 118.16 118.39 1t0g n LYS 67 Ca -0.02 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1t0g n LYS 67 Cb 0.71 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 1t0g n LYS 67 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1t0g n MET 68 N -2.85 0.00 -2.78 1.97 2.81 0.17 -5.02 117.12 111.43 1t0g n MET 68 Ca -0.16 0.18 -0.41 0.00 -1.81 0.00 0.00 57.70 55.51 1t0g n MET 68 Cb 0.94 -3.01 -0.04 0.00 -0.71 0.00 0.00 33.22 30.39 1t0g n MET 68 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1t0g s SER 69 N -2.37 7.41 -0.01 7.83 0.01 -0.89 -4.92 113.70 120.76 1t0g s SER 69 Ca 0.00 1.69 0.21 0.00 1.31 0.00 0.00 55.95 59.16 1t0g s SER 69 Cb 0.00 -2.56 -0.28 0.00 0.21 0.00 0.00 66.02 63.39 1t0g s SER 69 CO 0.00 -0.09 0.67 0.29 0.41 0.00 0.00 173.24 174.52 1t0g n LYS 70 N 3.01 0.43 -1.99 12.44 5.02 -1.26 -4.65 118.16 131.16 1t0g n LYS 70 Ca 0.02 -0.10 -0.40 0.00 -2.02 0.00 0.00 58.31 55.81 1t0g n LYS 70 Cb 0.50 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 34.02 1t0g n LYS 70 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1t0g s ASN 71 N -3.68 6.41 0.53 4.39 4.22 -1.26 -4.83 114.94 120.71 1t0g s ASN 71 Ca 0.00 2.78 0.20 0.00 -2.14 0.00 0.00 52.86 53.70 1t0g s ASN 71 Cb 0.15 -2.65 1.36 0.00 1.28 0.00 0.00 41.25 41.38 1t0g s ASN 71 CO 0.86 -0.80 2.11 1.05 -2.04 0.00 0.00 177.10 178.28 1t0g h GLU 72 N 2.91 0.00 -0.55 3.55 4.11 -1.94 -2.06 114.58 120.61 1t0g h GLU 72 Ca -0.50 0.00 0.10 0.00 0.07 0.00 0.00 59.36 59.03 1t0g h GLU 72 Cb 1.24 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 1t0g h GLU 72 CO 0.64 0.00 0.37 0.93 0.07 0.00 0.00 179.01 181.02 1t0g h GLU 73 N 0.00 0.34 -0.35 1.06 5.08 -1.98 -2.17 114.58 116.55 1t0g h GLU 73 Ca 0.08 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1t0g h GLU 73 Cb 0.33 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1t0g h GLU 73 CO -0.00 0.22 0.00 -0.25 -1.00 0.00 0.00 179.01 177.98 1t0g n ASP 74 N -4.46 3.07 -4.71 1.42 8.00 -0.78 -4.90 116.55 114.18 1t0g n ASP 74 Ca 0.09 -1.90 -0.37 0.00 0.71 0.00 0.00 54.79 53.32 1t0g n ASP 74 Cb 0.37 -0.23 -0.07 0.00 -0.02 0.00 0.00 41.12 41.17 1t0g n ASP 74 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1t0g s VAL 75 N -1.14 5.24 0.00 2.53 1.01 -0.82 -1.97 120.40 125.24 1t0g s VAL 75 Ca 0.30 0.74 0.00 0.00 0.00 0.00 0.00 61.98 63.02 1t0g s VAL 75 Cb 0.17 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1t0g s VAL 75 CO 0.23 0.33 0.00 -0.24 0.00 0.00 0.00 175.10 175.43 1t0g n SER 76 N 3.81 0.00 0.30 3.32 2.88 -0.99 -4.97 113.62 117.96 1t0g n SER 76 Ca -0.09 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.64 1t0g n SER 76 Cb 0.52 0.00 0.89 0.00 -0.75 0.00 0.00 64.21 64.86 1t0g n SER 76 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1t0g h PRO 77 N 0.00 0.00 -5.38 -1.46 0.13 -1.95 -2.73 132.00 120.62 1t0g h PRO 77 Ca 0.00 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.53 1t0g h PRO 77 Cb 0.00 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.02 1t0g h PRO 77 CO 0.00 0.02 -0.34 -1.12 -0.23 0.00 0.00 178.00 176.32 1t0g s SER 78 N -5.56 6.35 0.00 1.44 0.01 -1.26 -4.61 113.70 110.07 1t0g s SER 78 Ca -0.02 0.41 0.28 0.00 1.31 0.00 0.00 55.95 57.93 1t0g s SER 78 Cb 0.11 -2.17 1.63 0.00 0.21 0.00 0.00 66.02 65.80 1t0g s SER 78 CO 0.50 0.06 2.06 0.00 0.41 0.00 0.00 173.24 176.26 1t0g n LEU 79 N 3.92 0.08 0.00 2.44 -0.00 -1.26 -3.86 117.00 118.32 1t0g n LEU 79 Ca -0.12 -0.03 0.00 0.00 -0.00 0.00 0.00 56.01 55.86 1t0g n LEU 79 Cb 0.52 -0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 1t0g n LEU 79 CO 0.39 0.01 0.00 1.21 -0.00 0.00 0.00 177.39 179.00 1t0g n GLU 80 N -0.88 0.00 -0.26 1.47 4.07 -1.26 -2.01 120.64 121.77 1t0g n GLU 80 Ca 0.21 0.00 0.05 0.00 -0.06 0.00 0.00 57.16 57.35 1t0g n GLU 80 Cb 0.11 0.00 0.06 0.00 -0.06 0.00 0.00 31.44 31.55 1t0g n GLU 80 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1t0g n GLY 81 N 0.00 2.48 3.74 8.31 0.00 -1.26 -5.05 105.19 113.41 1t0g n GLY 81 Ca 0.00 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 1t0g n GLY 81 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1t0g n LEU 82 N -0.68 4.24 -4.95 0.99 4.77 -0.85 -5.00 117.00 115.52 1t0g n LEU 82 Ca 0.07 1.12 -0.28 0.00 -0.03 0.00 0.00 56.01 56.89 1t0g n LEU 82 Cb 0.64 -1.59 0.16 0.00 -2.33 0.00 0.00 43.42 40.30 1t0g n LEU 82 CO 0.00 0.17 0.78 0.28 -1.33 0.00 0.00 177.39 177.29 1t0g s THR 83 N 0.43 2.05 0.19 -5.08 -1.32 -1.26 -4.73 115.64 105.91 1t0g s THR 83 Ca 0.68 -0.17 -0.12 0.00 -1.21 0.00 0.00 61.69 60.87 1t0g s THR 83 Cb -0.50 -2.88 0.09 0.00 -1.51 0.00 0.00 72.50 67.70 1t0g s THR 83 CO 0.42 0.00 1.76 -0.08 -2.21 0.00 0.00 174.62 174.51 1t0g h GLU 84 N -1.28 0.39 -0.54 7.08 4.22 -1.98 0.37 114.58 122.83 1t0g h GLU 84 Ca -0.42 -0.02 -0.04 0.00 0.08 0.00 0.00 59.36 58.95 1t0g h GLU 84 Cb 1.25 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1t0g h GLU 84 CO 0.41 0.26 0.17 1.57 -2.18 0.00 0.00 179.01 179.24 1t0g h LYS 85 N 0.40 0.80 -0.14 1.92 2.10 -1.99 0.11 116.57 119.77 1t0g h LYS 85 Ca 0.24 -0.14 -0.07 0.00 -2.00 0.00 0.00 60.65 58.68 1t0g h LYS 85 Cb 0.24 -0.13 -0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1t0g h LYS 85 CO -0.23 0.69 -0.18 0.93 -2.00 0.00 0.00 179.45 178.66 1t0g h GLU 86 N 0.78 0.38 -0.66 0.07 4.39 -1.49 -1.91 114.58 116.15 1t0g h GLU 86 Ca 0.18 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 1t0g h GLU 86 Cb 0.23 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 1t0g h GLU 86 CO -0.01 0.78 0.33 0.82 -1.16 0.00 0.00 179.01 179.77 1t0g h ILE 87 N -0.00 1.21 -0.70 3.13 2.04 -0.80 -1.95 117.51 120.44 1t0g h ILE 87 Ca 0.02 -0.59 0.10 0.00 1.00 0.00 0.00 64.86 65.39 1t0g h ILE 87 Cb 0.73 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 1t0g h ILE 87 CO 0.04 0.25 0.46 0.78 0.00 0.00 0.00 178.15 179.68 1t0g h ASN 88 N 0.94 0.50 -0.68 1.72 2.35 -0.03 0.24 115.58 120.62 1t0g h ASN 88 Ca 0.23 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1t0g h ASN 88 Cb 0.09 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 1t0g h ASN 88 CO -0.03 0.30 0.40 0.74 -1.65 0.00 0.00 177.43 177.19 1t0g h THR 89 N 0.56 1.20 -0.19 2.81 2.02 -0.67 -0.88 112.91 117.75 1t0g h THR 89 Ca 0.32 -0.44 -0.21 0.00 0.77 0.00 0.00 66.41 66.86 1t0g h THR 89 Cb 0.52 0.27 0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1t0g h THR 89 CO -0.11 0.20 -0.69 0.25 0.37 0.00 0.00 175.52 175.54 1t0g h LEU 90 N 0.92 0.91 -0.95 2.58 5.85 -0.97 -2.44 115.31 121.21 1t0g h LEU 90 Ca 0.24 -0.56 0.14 0.00 0.84 0.00 0.00 57.88 58.55 1t0g h LEU 90 Cb -0.02 -0.27 -0.09 0.00 0.37 0.00 0.00 40.66 40.65 1t0g h LEU 90 CO -0.04 1.35 0.56 0.78 -0.34 0.00 0.00 178.44 180.75 1t0g h ASN 91 N 0.56 0.77 -0.24 1.25 -0.26 -0.27 0.35 115.58 117.75 1t0g h ASN 91 Ca -0.03 0.07 -0.12 0.00 -0.56 0.00 0.00 56.30 55.66 1t0g h ASN 91 Cb 1.31 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 38.48 1t0g h ASN 91 CO 0.14 0.36 -0.28 -0.78 -1.06 0.00 0.00 177.43 175.81 1t0g h ASP 92 N 0.82 0.75 -0.15 5.81 3.58 -0.94 -2.93 116.42 123.36 1t0g h ASP 92 Ca 0.50 -0.29 -0.08 0.00 0.42 0.00 0.00 57.03 57.58 1t0g h ASP 92 Cb 0.63 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 1t0g h ASP 92 CO -0.32 0.99 -0.15 -0.50 -2.88 0.00 0.00 179.24 176.38 1t0g h TRP 93 N 0.63 0.58 -0.09 0.28 4.06 -0.48 -2.84 115.95 118.09 1t0g h TRP 93 Ca 0.08 -0.10 0.04 0.00 2.06 0.00 0.00 58.89 60.97 1t0g h TRP 93 Cb 0.79 -0.15 -0.05 0.00 -1.00 0.00 0.00 29.16 28.75 1t0g h TRP 93 CO 0.04 0.66 -0.20 0.93 -3.56 0.00 0.00 178.44 176.31 1t0g h GLU 94 N 0.49 -0.26 -0.93 0.49 5.08 -0.22 -1.89 114.58 117.34 1t0g h GLU 94 Ca 0.09 0.02 0.26 0.00 -1.00 0.00 0.00 59.36 58.72 1t0g h GLU 94 Cb 0.54 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1t0g h GLU 94 CO 0.03 -0.18 0.66 1.15 -1.00 0.00 0.00 179.01 179.67 1t0g h THR 95 N -0.27 0.55 -0.01 1.13 2.02 -1.43 0.59 112.91 115.49 1t0g h THR 95 Ca 0.09 -0.02 -0.25 0.00 0.77 0.00 0.00 66.41 67.00 1t0g h THR 95 Cb 0.40 0.48 0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1t0g h THR 95 CO -0.25 0.01 -0.98 0.11 0.37 0.00 0.00 175.52 174.78 1t0g h LYS 96 N 0.07 0.59 0.15 6.66 1.79 -1.29 -2.84 116.57 121.71 1t0g h LYS 96 Ca 0.45 -0.63 -0.32 0.00 -2.18 0.00 0.00 60.65 57.98 1t0g h LYS 96 Cb 1.68 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 32.51 1t0g h LYS 96 CO -0.04 1.23 -1.55 0.74 -1.08 0.00 0.00 179.45 178.75 1t0g h PHE 97 N 0.34 0.59 -0.52 -1.35 -1.00 -0.99 -3.32 116.94 110.69 1t0g h PHE 97 Ca -0.10 -0.43 0.15 0.00 2.81 0.00 0.00 57.97 60.39 1t0g h PHE 97 Cb 1.63 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 41.14 1t0g h PHE 97 CO 0.08 1.47 0.38 0.93 -1.61 0.00 0.00 178.31 179.56 1t0g h GLU 98 N 0.09 0.00 -0.02 1.51 4.39 0.17 0.29 114.58 121.01 1t0g h GLU 98 Ca -0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1t0g h GLU 98 Cb 2.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.70 1t0g h GLU 98 CO 0.19 0.00 -0.06 0.00 -1.16 0.00 0.00 179.01 177.98 1t0g n ALA 99 N -2.63 2.60 0.00 3.43 0.00 -1.08 -4.58 120.51 118.25 1t0g n ALA 99 Ca 0.10 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1t0g n ALA 99 Cb 0.61 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.42 1t0g n ALA 99 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1t0g n LYS 100 N 0.89 0.43 -4.69 0.00 4.01 -0.49 -5.05 118.16 113.25 1t0g n LYS 100 Ca 0.11 0.00 -0.31 0.00 -0.51 0.00 0.00 58.31 57.59 1t0g n LYS 100 Cb 0.46 -0.96 -0.13 0.00 -0.51 0.00 0.00 35.03 33.90 1t0g n LYS 100 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1t0g s TYR 101 N -1.92 2.61 0.21 2.13 2.02 0.91 -5.09 117.35 118.22 1t0g s TYR 101 Ca 0.00 -0.22 -0.30 0.00 -0.37 0.00 0.00 57.07 56.18 1t0g s TYR 101 Cb 0.00 -1.51 -0.08 0.00 -0.40 0.00 0.00 41.96 39.97 1t0g s TYR 101 CO 0.00 0.25 0.94 -1.25 -1.57 0.00 0.00 175.55 173.91 1t0g s PRO 102 N -1.30 4.81 -0.53 -1.71 0.04 -1.26 -4.56 135.00 130.49 1t0g s PRO 102 Ca 0.14 1.47 -0.28 0.00 0.04 0.00 0.00 61.00 62.37 1t0g s PRO 102 Cb -0.11 -3.30 0.03 0.00 0.04 0.00 0.00 34.50 31.16 1t0g s PRO 102 CO 0.05 0.45 1.22 0.08 0.04 0.00 0.00 177.00 178.84 1t0g s VAL 103 N -0.90 4.03 -2.51 -0.36 1.01 -1.26 -2.20 120.40 118.21 1t0g s VAL 103 Ca 0.42 0.97 0.23 0.00 0.00 0.00 0.00 61.98 63.60 1t0g s VAL 103 Cb -0.25 -4.62 0.40 0.00 0.00 0.00 0.00 36.38 31.92 1t0g s VAL 103 CO 0.31 -1.18 1.44 1.33 0.00 0.00 0.00 175.10 177.00 1t0g n VAL 104 N 6.79 0.32 0.00 2.92 0.24 0.16 -4.97 118.33 123.79 1t0g n VAL 104 Ca 0.11 -0.58 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 1t0g n VAL 104 Cb 0.49 0.87 0.00 0.00 -1.47 0.00 0.00 33.84 33.73 1t0g n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1t0g n GLY 105 N 1.37 -0.47 3.33 7.63 0.00 -1.18 -1.19 105.19 114.68 1t0g n GLY 105 Ca 0.18 -0.78 -0.17 0.00 0.00 0.00 0.00 46.02 45.25 1t0g n GLY 105 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1t0g s ARG 106 N -2.00 1.30 -0.09 1.61 1.70 -0.14 -0.94 118.95 120.39 1t0g s ARG 106 Ca 0.00 -1.64 0.04 0.00 -0.47 0.00 0.00 55.73 53.66 1t0g s ARG 106 Cb 0.00 -0.71 0.00 0.00 -0.57 0.00 0.00 34.95 33.68 1t0g s ARG 106 CO 0.00 -0.03 -0.21 0.54 -1.08 0.00 0.00 175.30 174.52 1t0g s VAL 107 N -3.33 1.79 0.02 4.99 0.11 0.85 -0.07 120.40 124.77 1t0g s VAL 107 Ca 0.26 -0.86 0.07 0.00 -2.93 0.00 0.00 61.98 58.51 1t0g s VAL 107 Cb 0.04 -1.56 -0.03 0.00 -1.53 0.00 0.00 36.38 33.30 1t0g s VAL 107 CO 0.07 0.50 -0.19 0.68 -3.33 0.00 0.00 175.10 172.83 1t0g s VAL 108 N 0.43 2.67 0.00 2.04 -7.23 0.20 -4.58 120.40 113.94 1t0g s VAL 108 Ca -0.18 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.84 1t0g s VAL 108 Cb -0.17 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.68 1t0g s VAL 108 CO 0.07 0.39 0.00 -0.24 -0.31 0.00 0.00 175.10 175.02