#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 0.59 3.01 3.03 0.00 -1.26 -5.00 105.19 105.55 1t0g n GLY 2 Ca 0.00 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 1t0g n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1t0g s HIS 3 N -2.00 3.48 -0.01 1.61 3.76 -1.26 -4.96 115.29 115.91 1t0g s HIS 3 Ca 0.00 -3.07 -0.25 0.00 -0.15 0.00 0.00 55.06 51.58 1t0g s HIS 3 Cb 0.00 -2.97 -0.19 0.00 1.11 0.00 0.00 32.58 30.53 1t0g s HIS 3 CO 0.00 -0.71 1.31 1.25 -0.85 0.00 0.00 174.74 175.73 1t0g h HIS 4 N 6.25 -0.06 -3.59 1.40 2.76 -1.95 -3.35 115.15 116.62 1t0g h HIS 4 Ca 0.04 -0.00 -0.65 0.00 -2.20 0.00 0.00 60.37 57.56 1t0g h HIS 4 Cb 0.86 0.02 -0.15 0.00 1.55 0.00 0.00 27.41 29.68 1t0g h HIS 4 CO 0.65 0.35 0.03 -1.58 -1.30 0.00 0.00 177.93 176.08 1t0g s HIS 5 N -4.52 3.13 0.00 5.26 2.46 -1.26 -0.54 115.29 119.82 1t0g s HIS 5 Ca -0.15 0.04 0.00 0.00 0.47 0.00 0.00 55.06 55.42 1t0g s HIS 5 Cb 0.02 -3.12 0.00 0.00 -0.13 0.00 0.00 32.58 29.35 1t0g s HIS 5 CO 0.65 -0.71 0.00 0.72 -2.47 0.00 0.00 174.74 172.93 1t0g n HIS 6 N 5.98 -1.54 -3.29 3.88 8.25 -1.21 -4.99 115.22 122.31 1t0g n HIS 6 Ca -0.03 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.14 1t0g n HIS 6 Cb 0.48 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.53 1t0g n HIS 6 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1t0g n HIS 7 N -0.51 3.57 0.00 4.41 -0.00 -1.26 -4.59 115.22 116.84 1t0g n HIS 7 Ca 0.00 -3.95 0.00 0.00 -0.00 0.00 0.00 57.72 53.77 1t0g n HIS 7 Cb 0.00 -0.63 0.00 0.00 -0.00 0.00 0.00 29.99 29.36 1t0g n HIS 7 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1t0g n HIS 8 N 0.69 0.00 -3.87 1.57 -0.00 -1.26 -5.14 115.22 107.20 1t0g n HIS 8 Ca 0.30 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.94 1t0g n HIS 8 Cb 0.40 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.37 1t0g n HIS 8 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 176.34 175.86 1t0g s LEU 9 N 0.00 -0.09 -0.16 0.27 0.05 -1.26 -5.06 118.68 112.43 1t0g s LEU 9 Ca 0.00 -0.79 -0.10 0.00 0.05 0.00 0.00 54.13 53.29 1t0g s LEU 9 Cb 0.00 2.59 -0.05 0.00 -2.05 0.00 0.00 46.19 46.68 1t0g s LEU 9 CO 0.00 -1.39 0.17 -1.83 -0.55 0.00 0.00 176.35 172.74 1t0g s GLU 10 N -3.57 3.96 -0.09 1.48 -1.05 -0.93 -3.30 118.70 115.20 1t0g s GLU 10 Ca 0.14 -0.13 -0.16 0.00 -0.15 0.00 0.00 54.97 54.67 1t0g s GLU 10 Cb -0.05 -3.34 -0.05 0.00 -0.44 0.00 0.00 34.13 30.25 1t0g s GLU 10 CO 0.09 0.46 0.42 -2.00 0.95 0.00 0.00 175.26 175.18 1t0g s GLU 11 N -0.11 4.20 -0.06 -4.83 2.12 0.30 -0.80 118.70 119.53 1t0g s GLU 11 Ca 0.12 0.38 0.05 0.00 0.36 0.00 0.00 54.97 55.88 1t0g s GLU 11 Cb -0.12 -3.37 -0.02 0.00 0.26 0.00 0.00 34.13 30.89 1t0g s GLU 11 CO 0.01 0.34 -0.22 -0.06 -0.54 0.00 0.00 175.26 174.79 1t0g s PHE 12 N 0.06 2.50 0.08 5.30 0.08 0.14 -3.85 117.98 122.28 1t0g s PHE 12 Ca 0.24 -0.56 -0.01 0.00 0.12 0.00 0.00 56.93 56.71 1t0g s PHE 12 Cb -0.15 -1.61 -0.04 0.00 -0.57 0.00 0.00 43.02 40.65 1t0g s PHE 12 CO 0.10 -0.11 0.25 0.99 -0.10 0.00 0.00 175.22 176.35 1t0g s THR 13 N -0.30 5.33 0.19 0.64 2.01 -1.26 0.36 115.64 122.60 1t0g s THR 13 Ca 0.01 -0.28 -0.12 0.00 0.31 0.00 0.00 61.69 61.61 1t0g s THR 13 Cb -0.13 -3.63 0.11 0.00 0.01 0.00 0.00 72.50 68.87 1t0g s THR 13 CO 0.02 0.11 1.72 0.00 -0.69 0.00 0.00 174.62 175.79 1t0g h ALA 14 N 3.02 0.60 -0.64 7.40 0.00 -1.64 0.55 119.26 128.54 1t0g h ALA 14 Ca -0.45 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1t0g h ALA 14 Cb 1.16 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1t0g h ALA 14 CO 0.75 -0.28 0.35 0.93 0.00 0.00 0.00 179.25 181.00 1t0g h GLU 15 N 0.28 0.89 0.08 0.00 3.07 -1.95 -1.54 114.58 115.41 1t0g h GLU 15 Ca 0.26 -0.09 -0.29 0.00 -0.50 0.00 0.00 59.36 58.74 1t0g h GLU 15 Cb 0.33 -0.18 0.03 0.00 -0.84 0.00 0.00 28.75 28.09 1t0g h GLU 15 CO -0.31 0.65 -1.18 1.96 -1.40 0.00 0.00 179.01 178.72 1t0g h GLN 16 N 0.89 0.63 -0.62 2.33 4.20 -1.51 -3.29 115.11 117.74 1t0g h GLN 16 Ca 0.23 -0.79 -0.02 0.00 0.06 0.00 0.00 58.65 58.13 1t0g h GLN 16 Cb 0.03 0.25 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 1t0g h GLN 16 CO -0.04 1.35 0.29 1.25 -0.67 0.00 0.00 178.83 181.01 1t0g h LEU 17 N 0.30 0.80 -0.74 1.46 7.12 0.42 -2.03 115.31 122.64 1t0g h LEU 17 Ca -0.17 -0.09 0.00 0.00 0.13 0.00 0.00 57.88 57.76 1t0g h LEU 17 Cb 1.85 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 41.78 1t0g h LEU 17 CO 0.23 0.69 0.00 -0.24 -0.13 0.00 0.00 178.44 178.98 1t0g n SER 18 N -4.34 0.33 -0.06 1.25 2.88 -0.61 -0.64 113.62 112.42 1t0g n SER 18 Ca 0.06 0.64 0.12 0.00 -1.33 0.00 0.00 58.87 58.35 1t0g n SER 18 Cb 0.14 -0.69 0.16 0.00 -0.75 0.00 0.00 64.21 63.07 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 -1.93 0.17 -3.56 -1.46 6.02 -0.76 -4.50 117.38 111.36 1t0g n GLN 19 Ca -0.00 -0.12 -0.38 0.00 -0.01 0.00 0.00 57.00 56.49 1t0g n GLN 19 Cb 0.05 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.77 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 -1.31 4.51 -0.37 1.08 4.01 0.19 -4.64 117.16 120.61 1t0g n TYR 20 Ca 0.06 -4.08 0.00 0.00 -0.16 0.00 0.00 57.90 53.72 1t0g n TYR 20 Cb 0.34 -1.29 0.00 0.00 -0.31 0.00 0.00 39.34 38.09 1t0g n TYR 20 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1t0g n ASN 21 N 2.38 0.32 0.00 7.72 0.23 -1.26 -2.86 115.26 121.79 1t0g n ASN 21 Ca 0.22 -0.76 0.00 0.00 -0.53 0.00 0.00 54.58 53.51 1t0g n ASN 21 Cb 0.37 0.14 0.00 0.00 -2.08 0.00 0.00 39.78 38.22 1t0g n ASN 21 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1t0g n GLY 22 N 0.14 0.80 0.10 4.83 0.00 -1.22 -4.10 105.19 105.73 1t0g n GLY 22 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1t0g n GLY 22 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1t0g n THR 23 N -2.34 1.46 -2.83 2.61 5.66 -1.26 -3.64 114.28 113.93 1t0g n THR 23 Ca 0.00 -0.83 -0.43 0.00 -3.05 0.00 0.00 64.05 59.74 1t0g n THR 23 Cb 0.00 -0.67 -0.03 0.00 -1.55 0.00 0.00 70.33 68.08 1t0g n THR 23 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1t0g s ASP 24 N -5.71 6.43 -1.73 1.09 2.15 -1.26 -3.91 116.67 113.73 1t0g s ASP 24 Ca -0.10 -1.52 0.00 0.00 0.43 0.00 0.00 52.55 51.36 1t0g s ASP 24 Cb 0.07 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 1t0g s ASP 24 CO 0.82 -1.29 0.00 -0.62 -0.17 0.00 0.00 175.17 173.91 1t0g n GLU 25 N 7.41 -1.56 -2.94 4.34 1.02 -1.26 -2.17 120.64 125.48 1t0g n GLU 25 Ca 0.15 1.07 -0.07 0.00 -0.02 0.00 0.00 57.16 58.29 1t0g n GLU 25 Cb 0.48 -5.48 0.03 0.00 -0.02 0.00 0.00 31.44 26.45 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 -1.28 -6.55 -4.74 1.62 2.88 -1.24 -5.02 113.62 99.29 1t0g n SER 26 Ca -0.16 -0.34 -0.31 0.00 -1.33 0.00 0.00 58.87 56.73 1t0g n SER 26 Cb 0.64 -4.68 0.11 0.00 -0.75 0.00 0.00 64.21 59.53 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 -3.60 1.98 0.20 -1.46 1.02 -0.92 -4.90 119.74 112.06 1t0g s LYS 27 Ca 0.20 1.31 -0.32 0.00 0.02 0.00 0.00 55.97 57.18 1t0g s LYS 27 Cb -0.03 -1.86 -0.15 0.00 -0.52 0.00 0.00 37.83 35.28 1t0g s LYS 27 CO 0.65 -1.87 1.15 -2.30 -0.92 0.00 0.00 175.35 172.06 1t0g n PRO 28 N -3.59 1.28 -3.94 -1.68 -0.02 -1.26 -3.42 135.00 122.36 1t0g n PRO 28 Ca 0.10 0.45 -0.35 0.00 -2.02 0.00 0.00 63.50 61.69 1t0g n PRO 28 Cb 0.53 -1.94 -0.10 0.00 -0.02 0.00 0.00 33.50 31.97 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 -0.34 4.83 0.13 4.25 1.01 -1.26 -4.11 121.20 125.70 1t0g s ILE 29 Ca 0.70 -0.02 0.05 0.00 0.00 0.00 0.00 60.65 61.39 1t0g s ILE 29 Cb -0.80 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 1t0g s ILE 29 CO 0.53 0.44 -0.13 -0.31 0.00 0.00 0.00 174.94 175.47 1t0g s TYR 30 N 0.53 1.35 0.19 3.97 2.02 -1.14 -0.43 117.35 123.84 1t0g s TYR 30 Ca 0.04 -0.60 0.06 0.00 -0.37 0.00 0.00 57.07 56.20 1t0g s TYR 30 Cb -0.13 -0.70 -0.05 0.00 -0.40 0.00 0.00 41.96 40.69 1t0g s TYR 30 CO 0.01 0.13 -0.11 0.14 -1.57 0.00 0.00 175.55 174.15 1t0g s VAL 31 N -2.37 1.44 -0.04 0.71 -7.23 -0.42 0.36 120.40 112.85 1t0g s VAL 31 Ca 0.10 -2.13 0.03 0.00 -1.81 0.00 0.00 61.98 58.16 1t0g s VAL 31 Cb -0.03 -2.03 0.01 0.00 0.56 0.00 0.00 36.38 34.89 1t0g s VAL 31 CO 0.02 -0.61 -0.11 0.00 -0.31 0.00 0.00 175.10 174.10 1t0g s ALA 32 N -3.16 1.07 -0.18 1.32 0.00 -1.05 -0.84 121.76 118.92 1t0g s ALA 32 Ca 0.21 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.78 1t0g s ALA 32 Cb 0.02 -0.44 0.05 0.00 0.00 0.00 0.00 23.12 22.75 1t0g s ALA 32 CO 0.05 0.14 -0.01 0.42 0.00 0.00 0.00 175.76 176.36 1t0g s ILE 33 N 0.40 0.83 -1.53 0.00 1.01 0.24 -0.46 121.20 121.69 1t0g s ILE 33 Ca -0.08 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 59.95 1t0g s ILE 33 Cb -0.12 -1.17 0.01 0.00 0.01 0.00 0.00 42.46 41.18 1t0g s ILE 33 CO 0.02 -0.05 0.14 0.29 0.00 0.00 0.00 174.94 175.34 1t0g n LYS 34 N 4.95 -2.51 0.00 2.79 4.76 -1.26 -0.62 118.16 126.27 1t0g n LYS 34 Ca -0.10 0.86 0.00 0.00 -2.87 0.00 0.00 58.31 56.20 1t0g n LYS 34 Cb 0.47 -5.55 0.00 0.00 -1.84 0.00 0.00 35.03 28.11 1t0g n LYS 34 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1t0g n GLY 35 N -1.07 2.09 3.61 0.72 0.00 -1.26 -4.99 105.19 104.30 1t0g n GLY 35 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.34 3.73 -0.30 1.61 0.52 0.21 -0.19 118.95 124.19 1t0g s ARG 36 Ca 0.00 0.96 -0.20 0.00 -0.52 0.00 0.00 55.73 55.98 1t0g s ARG 36 Cb 0.00 -3.94 -0.01 0.00 0.52 0.00 0.00 34.95 31.52 1t0g s ARG 36 CO 0.00 -1.36 0.60 0.08 0.02 0.00 0.00 175.30 174.64 1t0g s VAL 37 N 4.83 4.97 -0.03 3.52 1.01 0.27 -0.59 120.40 134.37 1t0g s VAL 37 Ca 0.56 0.81 -0.00 0.00 0.00 0.00 0.00 61.98 63.36 1t0g s VAL 37 Cb -0.13 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1t0g s VAL 37 CO 0.29 -0.11 0.03 -0.36 0.00 0.00 0.00 175.10 174.94 1t0g s PHE 38 N 2.54 3.17 -0.31 5.22 0.40 -0.02 -0.09 117.98 128.89 1t0g s PHE 38 Ca 0.24 0.15 -0.22 0.00 -0.60 0.00 0.00 56.93 56.51 1t0g s PHE 38 Cb -0.15 -1.72 -0.00 0.00 0.51 0.00 0.00 43.02 41.65 1t0g s PHE 38 CO 0.11 0.50 0.70 0.34 0.70 0.00 0.00 175.22 177.57 1t0g s ASP 39 N -1.44 6.56 -0.20 1.36 -1.08 -0.47 -1.30 116.67 120.10 1t0g s ASP 39 Ca 0.19 0.50 0.16 0.00 -0.52 0.00 0.00 52.55 52.87 1t0g s ASP 39 Cb -0.12 -2.36 0.51 0.00 -1.46 0.00 0.00 42.92 39.49 1t0g s ASP 39 CO 0.09 -0.55 1.42 1.33 0.52 0.00 0.00 175.17 177.98 1t0g n VAL 40 N 5.47 2.31 0.23 1.11 0.24 0.43 -4.29 118.33 123.83 1t0g n VAL 40 Ca 0.01 -2.04 0.06 0.00 -2.04 0.00 0.00 64.34 60.32 1t0g n VAL 40 Cb 0.48 -0.27 0.52 0.00 -1.47 0.00 0.00 33.84 33.11 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 1.54 1.11 0.00 3.34 2.02 -1.86 0.19 112.91 119.25 1t0g h THR 41 Ca 0.04 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.68 1t0g h THR 41 Cb 1.46 1.26 -0.00 0.00 -1.74 0.00 0.00 68.15 69.13 1t0g h THR 41 CO 0.24 0.15 -0.14 0.00 0.37 0.00 0.00 175.52 176.14 1t0g h THR 42 N 0.01 0.40 -1.01 3.16 1.03 -1.91 -2.90 112.91 111.69 1t0g h THR 42 Ca 0.00 -0.83 -0.61 0.00 -0.01 0.00 0.00 66.41 64.97 1t0g h THR 42 Cb 0.26 1.60 -0.38 0.00 -1.07 0.00 0.00 68.15 68.56 1t0g h THR 42 CO 0.02 0.14 -0.18 0.61 -0.01 0.00 0.00 175.52 176.10 1t0g n GLY 43 N -0.07 6.14 0.37 2.99 0.00 0.04 -4.77 105.19 109.89 1t0g n GLY 43 Ca -0.00 -2.56 0.11 0.00 0.00 0.00 0.00 46.02 43.56 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 2.23 0.69 0.00 1.61 3.64 -1.37 0.36 116.57 123.73 1t0g h LYS 44 Ca 0.45 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.78 1t0g h LYS 44 Cb 1.14 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1t0g h LYS 44 CO 1.07 0.45 -0.03 0.77 -2.27 0.00 0.00 179.45 179.44 1t0g h SER 45 N 0.71 0.00 0.07 4.20 0.02 -1.89 0.32 113.55 116.99 1t0g h SER 45 Ca 0.42 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 61.01 1t0g h SER 45 Cb 0.64 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.11 1t0g h SER 45 CO -0.18 0.03 -2.30 0.49 -1.14 0.00 0.00 176.83 173.73 1t0g n PHE 46 N -3.37 0.27 -0.04 3.45 3.72 0.04 -3.76 117.46 117.77 1t0g n PHE 46 Ca -0.02 0.07 -0.04 0.00 -0.05 0.00 0.00 57.45 57.41 1t0g n PHE 46 Cb 0.15 -1.04 -0.01 0.00 -0.94 0.00 0.00 39.48 37.64 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 -3.07 0.00 0.08 1.38 4.02 -0.75 -1.19 117.16 117.63 1t0g n TYR 47 Ca -0.36 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.43 1t0g n TYR 47 Cb 1.07 -0.24 -0.08 0.00 -0.02 0.00 0.00 39.34 40.07 1t0g n TYR 47 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1t0g h GLY 48 N -0.48 0.15 -2.28 2.72 0.00 -1.27 -3.27 103.07 98.63 1t0g h GLY 48 Ca 0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 1t0g h GLY 48 CO 0.00 0.28 0.07 1.44 0.00 0.00 0.00 176.54 178.33 1t0g n SER 49 N -3.51 3.11 -1.52 0.19 7.64 -0.06 -4.56 113.62 114.91 1t0g n SER 49 Ca -0.03 -2.47 -0.03 0.00 1.01 0.00 0.00 58.87 57.35 1t0g n SER 49 Cb 0.91 -0.60 0.02 0.00 -1.01 0.00 0.00 64.21 63.53 1t0g n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t0g n GLY 50 N 0.16 0.35 0.00 0.23 0.00 -1.23 -5.00 105.19 99.70 1t0g n GLY 50 Ca 0.15 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1t0g n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t0g n GLY 51 N -1.11 0.78 0.12 -0.02 0.00 -1.14 -4.90 105.19 98.92 1t0g n GLY 51 Ca -0.04 -1.90 0.12 0.00 0.00 0.00 0.00 46.02 44.20 1t0g n GLY 51 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1t0g n ASP 52 N -1.10 0.73 -0.63 1.61 2.03 -1.10 -2.53 116.55 115.57 1t0g n ASP 52 Ca 0.00 0.63 0.05 0.00 0.52 0.00 0.00 54.79 55.99 1t0g n ASP 52 Cb 0.00 -0.80 0.19 0.00 -0.72 0.00 0.00 41.12 39.79 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 -2.25 0.38 0.11 -0.67 4.02 -0.33 -4.75 117.16 113.66 1t0g n TYR 53 Ca 0.04 -1.32 0.02 0.00 -0.01 0.00 0.00 57.90 56.63 1t0g n TYR 53 Cb 0.31 -0.29 0.39 0.00 -0.02 0.00 0.00 39.34 39.73 1t0g n TYR 53 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1t0g h SER 54 N 0.83 0.24 1.04 7.72 0.87 -1.29 -2.14 113.55 120.82 1t0g h SER 54 Ca 0.05 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1t0g h SER 54 Cb 1.21 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1t0g h SER 54 CO 0.12 0.38 0.00 0.24 -0.53 0.00 0.00 176.83 177.04 1t0g h MET 55 N 0.24 0.00 0.00 2.24 2.86 -1.85 -2.53 114.93 115.90 1t0g h MET 55 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1t0g h MET 55 Cb 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1t0g h MET 55 CO 0.02 0.00 -0.38 0.74 1.06 0.00 0.00 176.91 178.35 1t0g h PHE 56 N 0.00 0.00 -2.39 -0.22 -1.00 -1.73 -3.44 116.94 108.16 1t0g h PHE 56 Ca 0.00 0.00 -0.56 0.00 2.81 0.00 0.00 57.97 60.22 1t0g h PHE 56 Cb 0.52 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.08 1t0g h PHE 56 CO 0.00 0.00 1.26 0.00 -1.61 0.00 0.00 178.31 177.96 1t0g s ALA 57 N -3.27 3.28 -1.26 2.45 0.00 -0.95 -2.69 121.76 119.32 1t0g s ALA 57 Ca 0.04 0.93 -0.04 0.00 0.00 0.00 0.00 51.96 52.89 1t0g s ALA 57 Cb 0.07 -3.90 0.00 0.00 0.00 0.00 0.00 23.12 19.29 1t0g s ALA 57 CO 0.71 -1.98 0.55 0.41 0.00 0.00 0.00 175.76 175.46 1t0g n GLY 58 N 4.86 -0.30 3.15 0.00 0.00 0.16 -4.71 105.19 108.34 1t0g n GLY 58 Ca 0.22 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 1t0g n GLY 58 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1t0g s LYS 59 N -5.55 0.57 -0.11 1.61 2.20 -1.09 -3.84 119.74 113.53 1t0g s LYS 59 Ca 0.27 -0.45 -0.30 0.00 -0.36 0.00 0.00 55.97 55.13 1t0g s LYS 59 Cb -0.12 0.24 -0.02 0.00 -1.51 0.00 0.00 37.83 36.42 1t0g s LYS 59 CO 0.34 -0.15 1.18 0.34 -0.36 0.00 0.00 175.35 176.70 1t0g s ASP 60 N -1.61 7.05 -0.21 1.43 -1.08 -1.26 -2.53 116.67 118.45 1t0g s ASP 60 Ca -0.11 1.71 0.13 0.00 -0.52 0.00 0.00 52.55 53.75 1t0g s ASP 60 Cb -0.05 -2.55 0.44 0.00 -1.46 0.00 0.00 42.92 39.30 1t0g s ASP 60 CO 0.00 -0.63 1.33 0.00 0.52 0.00 0.00 175.17 176.39 1t0g n ALA 61 N 5.69 3.43 -0.29 3.66 0.00 0.40 -2.54 120.51 130.85 1t0g n ALA 61 Ca 0.12 -2.89 0.03 0.00 0.00 0.00 0.00 53.44 50.69 1t0g n ALA 61 Cb 0.46 -0.56 0.17 0.00 0.00 0.00 0.00 19.45 19.52 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 0.94 0.68 -0.02 0.00 0.02 -1.64 0.58 113.55 114.11 1t0g h SER 62 Ca 0.08 0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.95 1t0g h SER 62 Cb 1.32 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 1t0g h SER 62 CO 0.18 0.38 -0.37 -0.09 -1.14 0.00 0.00 176.83 175.79 1t0g h ARG 63 N 0.79 0.52 -0.11 3.45 2.43 -1.13 -2.67 114.38 117.66 1t0g h ARG 63 Ca 0.40 -0.25 -0.15 0.00 -0.81 0.00 0.00 59.98 59.18 1t0g h ARG 63 Cb 0.38 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1t0g h ARG 63 CO -0.25 0.81 -0.57 0.00 -1.51 0.00 0.00 179.97 178.46 1t0g h ALA 64 N 1.16 0.83 -0.18 2.80 0.00 0.46 0.53 119.26 124.86 1t0g h ALA 64 Ca 0.04 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1t0g h ALA 64 Cb 0.85 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1t0g h ALA 64 CO 0.07 0.70 0.08 -0.07 0.00 0.00 0.00 179.25 180.03 1t0g h LEU 65 N 0.26 0.24 -0.60 0.00 3.38 -0.89 0.49 115.31 118.18 1t0g h LEU 65 Ca 0.00 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.70 1t0g h LEU 65 Cb 1.07 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1t0g h LEU 65 CO 0.09 0.31 -0.36 1.23 0.09 0.00 0.00 178.44 179.80 1t0g h GLY 66 N 0.15 0.78 2.00 0.83 0.00 -1.06 -3.01 103.07 102.75 1t0g h GLY 66 Ca 0.06 -0.76 -0.13 0.00 0.00 0.00 0.00 47.33 46.50 1t0g h GLY 66 CO -0.01 0.69 -0.63 0.50 0.00 0.00 0.00 176.54 177.09 1t0g h LYS 67 N 0.60 0.00 -0.71 4.80 1.79 -0.82 -3.44 116.57 118.78 1t0g h LYS 67 Ca 0.06 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.36 1t0g h LYS 67 Cb 0.89 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.50 1t0g h LYS 67 CO 0.08 0.63 -0.17 -1.33 -1.08 0.00 0.00 179.45 177.57 1t0g n MET 68 N -3.36 -0.60 -4.25 3.15 2.81 0.16 -4.98 117.12 110.05 1t0g n MET 68 Ca 0.01 0.62 -0.31 0.00 -1.81 0.00 0.00 57.70 56.21 1t0g n MET 68 Cb 0.74 -4.50 -0.09 0.00 -0.71 0.00 0.00 33.22 28.66 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 -2.80 4.80 -0.02 7.83 0.01 -0.85 -4.99 113.70 117.69 1t0g s SER 69 Ca 0.00 -0.19 0.17 0.00 1.31 0.00 0.00 55.95 57.23 1t0g s SER 69 Cb 0.00 -1.11 -0.25 0.00 0.21 0.00 0.00 66.02 64.87 1t0g s SER 69 CO 0.00 0.22 0.38 0.29 0.41 0.00 0.00 173.24 174.54 1t0g n LYS 70 N 0.95 0.57 -1.66 12.44 5.02 -1.26 -4.67 118.16 129.54 1t0g n LYS 70 Ca -0.13 -0.14 -0.47 0.00 -2.02 0.00 0.00 58.31 55.55 1t0g n LYS 70 Cb 0.52 -1.39 -0.04 0.00 -0.02 0.00 0.00 35.03 34.10 1t0g n LYS 70 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1t0g n ASN 71 N -2.04 2.93 0.26 4.39 6.94 -1.26 -4.84 115.26 121.64 1t0g n ASN 71 Ca -0.03 1.08 0.17 0.00 -0.02 0.00 0.00 54.58 55.79 1t0g n ASN 71 Cb 0.42 -1.39 0.91 0.00 -2.36 0.00 0.00 39.78 37.36 1t0g n ASN 71 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1t0g h GLU 72 N 6.05 0.00 -0.17 -3.83 5.08 -1.94 -0.26 114.58 119.51 1t0g h GLU 72 Ca -0.46 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.82 1t0g h GLU 72 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1t0g h GLU 72 CO 0.88 0.00 -0.24 1.05 -1.00 0.00 0.00 179.01 179.70 1t0g h GLU 73 N 0.00 0.32 -0.01 2.33 4.11 -1.99 -2.77 114.58 116.56 1t0g h GLU 73 Ca 0.05 -0.11 0.00 0.00 0.07 0.00 0.00 59.36 59.37 1t0g h GLU 73 Cb 0.33 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1t0g h GLU 73 CO -0.00 0.55 -0.22 -0.25 0.07 0.00 0.00 179.01 179.16 1t0g n ASP 74 N -4.15 1.25 -4.48 3.06 8.00 -0.11 -4.67 116.55 115.44 1t0g n ASP 74 Ca -0.01 -1.09 -0.43 0.00 0.71 0.00 0.00 54.79 53.97 1t0g n ASP 74 Cb 0.37 0.13 -0.04 0.00 -0.02 0.00 0.00 41.12 41.57 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 -2.39 4.33 -0.02 2.53 1.01 -1.05 -1.21 120.40 123.60 1t0g s VAL 75 Ca 0.27 -0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.84 1t0g s VAL 75 Cb 0.19 -4.64 0.08 0.00 0.00 0.00 0.00 36.38 32.02 1t0g s VAL 75 CO 0.48 -1.35 0.73 -0.55 0.00 0.00 0.00 175.10 174.41 1t0g s SER 76 N 3.38 -0.58 0.50 3.32 0.15 -1.05 -4.93 113.70 114.48 1t0g s SER 76 Ca 0.25 0.47 0.29 0.00 0.70 0.00 0.00 55.95 57.67 1t0g s SER 76 Cb -0.15 0.50 1.09 0.00 -1.71 0.00 0.00 66.02 65.75 1t0g s SER 76 CO 0.13 -0.64 1.88 1.55 1.20 0.00 0.00 173.24 177.37 1t0g h PRO 77 N 2.66 0.00 -6.56 5.44 0.13 -1.90 0.31 132.00 132.07 1t0g h PRO 77 Ca -0.27 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.34 1t0g h PRO 77 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1t0g h PRO 77 CO 0.37 0.08 0.49 0.45 -0.23 0.00 0.00 178.00 179.16 1t0g s SER 78 N -5.93 7.21 -0.89 1.44 0.15 -1.26 -4.68 113.70 109.76 1t0g s SER 78 Ca 0.02 2.01 -0.01 0.00 0.70 0.00 0.00 55.95 58.66 1t0g s SER 78 Cb 0.09 -2.59 0.22 0.00 -1.71 0.00 0.00 66.02 62.03 1t0g s SER 78 CO 0.59 -0.31 0.77 -0.76 1.20 0.00 0.00 173.24 174.72 1t0g s LEU 79 N 0.32 5.50 -0.06 3.45 1.43 -1.26 -4.35 118.68 123.72 1t0g s LEU 79 Ca 0.53 -3.75 0.04 0.00 -1.03 0.00 0.00 54.13 49.93 1t0g s LEU 79 Cb -0.28 -1.89 -0.00 0.00 0.03 0.00 0.00 46.19 44.04 1t0g s LEU 79 CO 0.32 -0.17 -0.20 -1.83 0.23 0.00 0.00 176.35 174.70 1t0g s GLU 80 N -1.38 2.26 0.00 1.70 -1.05 -1.26 -4.47 118.70 114.50 1t0g s GLU 80 Ca 0.27 -0.72 0.00 0.00 -0.15 0.00 0.00 54.97 54.38 1t0g s GLU 80 Cb -0.07 -1.86 0.00 0.00 -0.44 0.00 0.00 34.13 31.76 1t0g s GLU 80 CO -0.13 0.23 0.00 0.41 0.95 0.00 0.00 175.26 176.72 1t0g n GLY 81 N 3.28 0.63 3.05 -3.83 0.00 -1.26 -5.01 105.19 102.05 1t0g n GLY 81 Ca -0.19 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 1t0g n GLY 81 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t0g s LEU 82 N 0.00 2.16 0.79 0.99 1.43 -1.26 -5.07 118.68 117.72 1t0g s LEU 82 Ca 0.00 -0.74 -0.11 0.00 -1.03 0.00 0.00 54.13 52.26 1t0g s LEU 82 Cb 0.00 -1.33 0.08 0.00 0.03 0.00 0.00 46.19 44.98 1t0g s LEU 82 CO 0.00 -0.07 1.14 -0.89 0.23 0.00 0.00 176.35 176.76 1t0g s THR 83 N 1.36 2.08 0.23 5.49 2.01 -1.26 -4.78 115.64 120.77 1t0g s THR 83 Ca 0.02 -0.08 -0.08 0.00 0.31 0.00 0.00 61.69 61.86 1t0g s THR 83 Cb -0.14 -3.00 0.20 0.00 0.01 0.00 0.00 72.50 69.57 1t0g s THR 83 CO -0.10 0.00 1.86 1.05 -0.69 0.00 0.00 174.62 176.74 1t0g h GLU 84 N -0.97 1.21 0.00 4.92 9.09 -1.99 0.61 114.58 127.46 1t0g h GLU 84 Ca -0.45 -0.12 -0.06 0.00 0.05 0.00 0.00 59.36 58.77 1t0g h GLU 84 Cb 1.32 -0.25 -0.01 0.00 -1.65 0.00 0.00 28.75 28.16 1t0g h GLU 84 CO 0.62 0.87 -0.30 1.57 0.05 0.00 0.00 179.01 181.83 1t0g h LYS 85 N 1.22 0.00 -0.28 1.06 -0.00 -1.98 0.21 116.57 116.81 1t0g h LYS 85 Ca 0.31 0.00 -0.17 0.00 -0.00 0.00 0.00 60.65 60.80 1t0g h LYS 85 Cb -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.22 1t0g h LYS 85 CO -0.06 0.30 -0.48 0.93 -0.00 0.00 0.00 179.45 180.14 1t0g h GLU 86 N 0.00 0.82 -0.32 0.07 4.39 -1.51 -1.42 114.58 116.61 1t0g h GLU 86 Ca -0.00 -0.51 -0.09 0.00 0.34 0.00 0.00 59.36 59.10 1t0g h GLU 86 Cb 0.59 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 1t0g h GLU 86 CO 0.04 1.14 -0.15 0.82 -1.16 0.00 0.00 179.01 179.69 1t0g h ILE 87 N 0.59 1.29 -0.73 3.13 2.04 -0.58 -2.80 117.51 120.45 1t0g h ILE 87 Ca 0.02 -1.26 0.18 0.00 1.00 0.00 0.00 64.86 64.80 1t0g h ILE 87 Cb 1.08 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 38.54 1t0g h ILE 87 CO 0.11 0.41 0.50 0.78 0.00 0.00 0.00 178.15 179.95 1t0g h ASN 88 N 0.45 0.21 -0.41 1.72 2.35 -0.72 0.14 115.58 119.32 1t0g h ASN 88 Ca 0.07 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1t0g h ASN 88 Cb 0.68 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.01 1t0g h ASN 88 CO 0.05 0.10 0.26 0.74 -1.65 0.00 0.00 177.43 176.93 1t0g h THR 89 N 0.22 1.11 -0.02 2.81 2.02 -0.98 -2.06 112.91 116.01 1t0g h THR 89 Ca 0.36 -0.23 -0.16 0.00 0.77 0.00 0.00 66.41 67.15 1t0g h THR 89 Cb 1.09 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1t0g h THR 89 CO -0.07 0.11 -0.70 0.17 0.37 0.00 0.00 175.52 175.40 1t0g h LEU 90 N 0.54 0.13 -0.99 2.58 8.10 -0.80 -2.23 115.31 122.65 1t0g h LEU 90 Ca 0.15 -0.09 0.11 0.00 0.11 0.00 0.00 57.88 58.16 1t0g h LEU 90 Cb -0.04 -0.04 -0.08 0.00 -0.44 0.00 0.00 40.66 40.06 1t0g h LEU 90 CO -0.03 0.79 0.62 0.78 -4.11 0.00 0.00 178.44 176.48 1t0g h ASN 91 N 0.07 0.91 0.04 0.17 -0.26 -0.68 0.28 115.58 116.11 1t0g h ASN 91 Ca -0.01 0.05 -0.10 0.00 -0.56 0.00 0.00 56.30 55.67 1t0g h ASN 91 Cb 1.24 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 38.35 1t0g h ASN 91 CO 0.10 0.49 -0.32 -0.78 -1.06 0.00 0.00 177.43 175.86 1t0g h ASP 92 N 0.99 0.42 -0.04 5.81 3.58 -0.80 -2.74 116.42 123.63 1t0g h ASP 92 Ca 0.48 -0.16 -0.05 0.00 0.42 0.00 0.00 57.03 57.73 1t0g h ASP 92 Cb 0.46 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 1t0g h ASP 92 CO -0.26 0.72 -0.10 -0.50 -2.88 0.00 0.00 179.24 176.23 1t0g h TRP 93 N 0.36 0.33 0.12 0.28 4.06 -0.42 -2.37 115.95 118.30 1t0g h TRP 93 Ca 0.04 -0.04 0.02 0.00 2.06 0.00 0.00 58.89 60.97 1t0g h TRP 93 Cb 0.74 -0.09 -0.03 0.00 -1.00 0.00 0.00 29.16 28.78 1t0g h TRP 93 CO 0.02 0.42 -0.23 0.93 -3.56 0.00 0.00 178.44 176.02 1t0g h GLU 94 N 0.30 -0.41 -0.40 0.49 5.08 -0.26 -2.37 114.58 117.01 1t0g h GLU 94 Ca 0.06 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.57 1t0g h GLU 94 Cb 0.37 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1t0g h GLU 94 CO 0.02 -0.27 0.41 1.15 -1.00 0.00 0.00 179.01 179.31 1t0g h THR 95 N -0.43 0.43 0.01 1.13 2.02 -1.41 0.72 112.91 115.38 1t0g h THR 95 Ca 0.03 0.00 -0.23 0.00 0.77 0.00 0.00 66.41 66.97 1t0g h THR 95 Cb 0.45 0.68 0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1t0g h THR 95 CO -0.13 0.00 -0.97 0.11 0.37 0.00 0.00 175.52 174.90 1t0g h LYS 96 N 0.00 0.45 0.21 6.66 1.79 -1.15 -2.82 116.57 121.71 1t0g h LYS 96 Ca 0.19 -0.49 -0.34 0.00 -2.18 0.00 0.00 60.65 57.83 1t0g h LYS 96 Cb 1.00 0.14 0.02 0.00 -1.58 0.00 0.00 32.23 31.81 1t0g h LYS 96 CO -0.00 1.14 -1.60 0.74 -1.08 0.00 0.00 179.45 178.65 1t0g h PHE 97 N 0.25 0.82 -0.32 -1.35 -1.00 -0.66 -3.31 116.94 111.37 1t0g h PHE 97 Ca -0.09 -0.60 0.09 0.00 2.81 0.00 0.00 57.97 60.19 1t0g h PHE 97 Cb 1.61 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 41.13 1t0g h PHE 97 CO 0.07 1.62 0.30 0.93 -1.61 0.00 0.00 178.31 179.62 1t0g h GLU 98 N 0.09 0.00 -0.00 1.51 5.08 0.34 0.42 114.58 122.01 1t0g h GLU 98 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1t0g h GLU 98 Cb 2.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.35 1t0g h GLU 98 CO 0.21 0.00 -0.88 0.00 -1.00 0.00 0.00 179.01 177.34 1t0g n ALA 99 N -2.41 4.46 -0.04 3.43 0.00 -1.07 -4.50 120.51 120.38 1t0g n ALA 99 Ca 0.05 -0.54 -0.04 0.00 0.00 0.00 0.00 53.44 52.90 1t0g n ALA 99 Cb 0.46 -0.70 -0.06 0.00 0.00 0.00 0.00 19.45 19.16 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 -1.40 2.60 -4.33 0.00 4.01 -0.42 -5.02 118.16 113.59 1t0g n LYS 100 Ca 0.04 -0.00 -0.20 0.00 -0.51 0.00 0.00 58.31 57.64 1t0g n LYS 100 Cb 0.30 -1.20 -0.13 0.00 -0.51 0.00 0.00 35.03 33.50 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 -2.19 1.23 0.10 2.13 2.02 0.13 -5.08 117.35 115.70 1t0g s TYR 101 Ca -0.04 -0.37 -0.30 0.00 -0.37 0.00 0.00 57.07 55.99 1t0g s TYR 101 Cb 0.02 -0.73 -0.06 0.00 -0.40 0.00 0.00 41.96 40.80 1t0g s TYR 101 CO 0.31 0.04 1.01 -1.25 -1.57 0.00 0.00 175.55 174.09 1t0g s PRO 102 N -1.21 4.63 -0.85 -1.71 0.04 -1.26 -4.40 135.00 130.24 1t0g s PRO 102 Ca 0.01 1.52 -0.22 0.00 0.04 0.00 0.00 61.00 62.36 1t0g s PRO 102 Cb -0.08 -3.37 0.08 0.00 0.04 0.00 0.00 34.50 31.17 1t0g s PRO 102 CO 0.01 0.10 1.17 0.54 0.04 0.00 0.00 177.00 178.87 1t0g s VAL 103 N 0.23 4.31 0.18 -0.36 0.11 -1.26 -1.37 120.40 122.23 1t0g s VAL 103 Ca 0.49 -0.81 0.14 0.00 -2.93 0.00 0.00 61.98 58.87 1t0g s VAL 103 Cb -0.25 -4.83 0.02 0.00 -1.53 0.00 0.00 36.38 29.80 1t0g s VAL 103 CO 0.30 -1.64 1.61 -0.37 -3.33 0.00 0.00 175.10 171.68 1t0g h VAL 104 N 6.12 1.21 0.00 2.04 -1.51 -0.85 -3.48 116.25 119.79 1t0g h VAL 104 Ca -0.01 -2.03 0.00 0.00 -1.23 0.00 0.00 66.70 63.43 1t0g h VAL 104 Cb 1.04 2.15 0.00 0.00 -2.13 0.00 0.00 31.29 32.35 1t0g h VAL 104 CO 1.22 0.54 0.00 0.61 -1.23 0.00 0.00 177.57 178.72 1t0g n GLY 105 N 0.43 0.89 3.22 5.19 0.00 -1.10 -2.19 105.19 111.64 1t0g n GLY 105 Ca -0.00 0.11 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 4.90 0.99 -0.08 1.61 1.70 0.02 -0.57 118.95 127.52 1t0g s ARG 106 Ca 0.00 -1.41 0.03 0.00 -0.47 0.00 0.00 55.73 53.88 1t0g s ARG 106 Cb 0.00 -0.49 -0.02 0.00 -0.57 0.00 0.00 34.95 33.87 1t0g s ARG 106 CO 0.00 0.05 -0.16 0.54 -1.08 0.00 0.00 175.30 174.64 1t0g s VAL 107 N -3.41 2.85 -0.02 4.99 0.11 0.73 0.25 120.40 125.90 1t0g s VAL 107 Ca 0.15 -0.78 0.04 0.00 -2.93 0.00 0.00 61.98 58.46 1t0g s VAL 107 Cb 0.03 -2.13 -0.01 0.00 -1.53 0.00 0.00 36.38 32.75 1t0g s VAL 107 CO -0.01 0.56 -0.13 0.68 -3.33 0.00 0.00 175.10 172.88 1t0g s VAL 108 N -0.25 1.04 0.00 2.04 -7.23 0.16 -4.72 120.40 111.43 1t0g s VAL 108 Ca 0.01 -0.53 0.00 0.00 -1.81 0.00 0.00 61.98 59.64 1t0g s VAL 108 Cb -0.13 -0.88 0.00 0.00 0.56 0.00 0.00 36.38 35.93 1t0g s VAL 108 CO 0.03 0.30 0.00 -1.54 -0.31 0.00 0.00 175.10 173.58