#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t0g s GLY 2 N 0.00 2.50 -0.28 3.03 0.00 -1.26 -5.05 107.32 106.26 1t0g s GLY 2 Ca 0.00 -0.15 -0.19 0.00 0.00 0.00 0.00 44.72 44.38 1t0g s GLY 2 CO 0.00 0.39 0.83 -1.58 0.00 0.00 0.00 173.10 172.73 1t0g s HIS 3 N -0.63 -0.79 0.42 1.90 2.46 -1.26 -5.14 115.29 112.26 1t0g s HIS 3 Ca 0.25 1.68 -0.05 0.00 0.47 0.00 0.00 55.06 57.42 1t0g s HIS 3 Cb -0.17 0.45 -0.04 0.00 -0.13 0.00 0.00 32.58 32.69 1t0g s HIS 3 CO 0.14 -0.39 0.71 -1.01 -2.47 0.00 0.00 174.74 171.72 1t0g s HIS 4 N 1.09 3.53 0.00 3.88 0.09 -1.26 -4.95 115.29 117.67 1t0g s HIS 4 Ca -0.06 0.74 0.00 0.00 -0.00 0.00 0.00 55.06 55.74 1t0g s HIS 4 Cb -0.05 -2.22 0.00 0.00 -0.00 0.00 0.00 32.58 30.31 1t0g s HIS 4 CO -0.12 -0.13 0.04 1.58 -0.00 0.00 0.00 174.74 176.11 1t0g n HIS 5 N -1.88 0.00 -3.90 1.40 -0.00 -1.26 -5.08 115.22 104.49 1t0g n HIS 5 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.60 1t0g n HIS 5 Cb 0.55 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.55 1t0g n HIS 5 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1t0g s HIS 6 N -0.01 0.50 -0.48 1.57 4.02 -1.26 -5.13 115.29 114.50 1t0g s HIS 6 Ca 0.00 -1.04 0.07 0.00 1.02 0.00 0.00 55.06 55.11 1t0g s HIS 6 Cb 0.00 0.52 0.19 0.00 -1.02 0.00 0.00 32.58 32.27 1t0g s HIS 6 CO 0.00 -1.46 0.72 -1.58 1.02 0.00 0.00 174.74 173.43 1t0g s HIS 7 N -2.38 -1.60 0.19 1.40 2.46 -1.26 -5.03 115.29 109.06 1t0g s HIS 7 Ca 0.21 -0.31 0.00 0.00 0.47 0.00 0.00 55.06 55.43 1t0g s HIS 7 Cb -0.04 0.31 0.00 0.00 -0.13 0.00 0.00 32.58 32.72 1t0g s HIS 7 CO 0.16 -1.21 0.00 1.58 -2.47 0.00 0.00 174.74 172.79 1t0g n HIS 8 N 3.36 -1.72 -3.44 3.88 -0.00 -1.26 -5.02 115.22 111.02 1t0g n HIS 8 Ca 0.16 0.32 -0.27 0.00 -0.00 0.00 0.00 57.72 57.93 1t0g n HIS 8 Cb 0.57 0.66 -0.11 0.00 -0.00 0.00 0.00 29.99 31.10 1t0g n HIS 8 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1t0g s LEU 9 N -6.22 0.78 -0.19 0.27 1.98 -1.19 -4.37 118.68 109.74 1t0g s LEU 9 Ca 0.00 -2.07 -0.18 0.00 -2.89 0.00 0.00 54.13 48.99 1t0g s LEU 9 Cb 0.00 -0.22 -0.03 0.00 0.66 0.00 0.00 46.19 46.60 1t0g s LEU 9 CO 0.00 -0.30 0.50 -1.61 -1.89 0.00 0.00 176.35 173.05 1t0g s GLU 10 N 1.15 4.20 -0.22 1.98 0.41 0.13 -4.86 118.70 121.49 1t0g s GLU 10 Ca 0.18 0.38 -0.25 0.00 -0.41 0.00 0.00 54.97 54.87 1t0g s GLU 10 Cb -0.22 -3.55 -0.01 0.00 -1.78 0.00 0.00 34.13 28.58 1t0g s GLU 10 CO -0.00 -0.11 0.84 -2.00 -0.49 0.00 0.00 175.26 173.50 1t0g s GLU 11 N 1.52 4.22 -0.12 1.61 2.12 -1.26 -0.73 118.70 126.06 1t0g s GLU 11 Ca 0.23 0.99 0.03 0.00 0.36 0.00 0.00 54.97 56.58 1t0g s GLU 11 Cb -0.15 -3.63 0.00 0.00 0.26 0.00 0.00 34.13 30.61 1t0g s GLU 11 CO 0.09 -0.48 -0.22 -0.06 -0.54 0.00 0.00 175.26 174.06 1t0g s PHE 12 N 2.70 2.63 0.38 5.30 0.08 0.49 -4.96 117.98 124.59 1t0g s PHE 12 Ca 0.36 -1.07 -0.13 0.00 0.12 0.00 0.00 56.93 56.22 1t0g s PHE 12 Cb -0.16 -1.76 -0.07 0.00 -0.57 0.00 0.00 43.02 40.46 1t0g s PHE 12 CO 0.08 -0.44 0.77 0.99 -0.10 0.00 0.00 175.22 176.51 1t0g s THR 13 N 0.48 4.73 0.22 0.64 2.01 -1.26 0.75 115.64 123.21 1t0g s THR 13 Ca -0.15 0.78 -0.08 0.00 0.31 0.00 0.00 61.69 62.55 1t0g s THR 13 Cb -0.17 -3.68 0.17 0.00 0.01 0.00 0.00 72.50 68.83 1t0g s THR 13 CO 0.06 -0.39 1.72 0.00 -0.69 0.00 0.00 174.62 175.32 1t0g h ALA 14 N 1.64 0.83 -0.43 7.40 0.00 -1.47 0.67 119.26 127.90 1t0g h ALA 14 Ca -0.47 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 1t0g h ALA 14 Cb 1.18 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1t0g h ALA 14 CO 0.64 -0.24 -0.03 0.93 0.00 0.00 0.00 179.25 180.55 1t0g h GLU 15 N 0.36 0.72 0.02 0.00 3.07 -1.93 -2.30 114.58 114.51 1t0g h GLU 15 Ca 0.34 -0.20 -0.23 0.00 -0.50 0.00 0.00 59.36 58.77 1t0g h GLU 15 Cb 0.48 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1t0g h GLU 15 CO -0.37 0.75 -0.99 1.96 -1.40 0.00 0.00 179.01 178.96 1t0g h GLN 16 N 0.67 0.37 -0.95 2.33 7.50 -1.50 -3.14 115.11 120.38 1t0g h GLN 16 Ca 0.13 -0.43 -0.00 0.00 0.50 0.00 0.00 58.65 58.85 1t0g h GLN 16 Cb 0.46 0.13 -0.05 0.00 0.05 0.00 0.00 27.48 28.07 1t0g h GLN 16 CO 0.02 1.11 0.57 1.25 -1.50 0.00 0.00 178.83 180.29 1t0g h LEU 17 N 0.19 1.14 -0.26 1.46 7.12 0.49 -1.61 115.31 123.84 1t0g h LEU 17 Ca -0.09 -0.07 0.00 0.00 0.13 0.00 0.00 57.88 57.86 1t0g h LEU 17 Cb 1.63 -0.29 0.00 0.00 -0.53 0.00 0.00 40.66 41.48 1t0g h LEU 17 CO 0.17 0.87 0.00 -1.20 -0.13 0.00 0.00 178.44 178.15 1t0g n SER 18 N -4.35 0.13 0.02 1.25 7.64 -0.88 -0.75 113.62 116.68 1t0g n SER 18 Ca 0.11 0.55 0.12 0.00 1.01 0.00 0.00 58.87 60.66 1t0g n SER 18 Cb 0.06 -0.57 0.22 0.00 -1.01 0.00 0.00 64.21 62.91 1t0g n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1t0g n GLN 19 N -1.66 0.11 -1.21 1.43 6.02 -0.61 -3.61 117.38 117.84 1t0g n GLN 19 Ca 0.01 0.02 -0.23 0.00 -0.01 0.00 0.00 57.00 56.79 1t0g n GLN 19 Cb 0.07 -1.56 0.16 0.00 1.02 0.00 0.00 30.24 29.92 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 -1.71 2.77 0.67 1.08 4.01 0.07 -4.45 117.16 119.60 1t0g n TYR 20 Ca 0.05 -2.05 0.12 0.00 -0.16 0.00 0.00 57.90 55.86 1t0g n TYR 20 Cb 0.37 -0.95 0.47 0.00 -0.31 0.00 0.00 39.34 38.92 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 -1.09 0.45 -0.05 7.72 6.94 -1.24 -3.17 115.26 124.83 1t0g n ASN 21 Ca 0.56 0.56 0.00 0.00 -0.02 0.00 0.00 54.58 55.68 1t0g n ASN 21 Cb 1.36 -0.68 0.00 0.00 -2.36 0.00 0.00 39.78 38.10 1t0g n ASN 21 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1t0g n GLY 22 N 0.94 0.83 0.06 4.83 0.00 -1.26 -4.68 105.19 105.91 1t0g n GLY 22 Ca 0.05 -0.63 0.12 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.01 0.00 -2.44 2.61 5.66 -1.26 -4.63 114.28 111.21 1t0g n THR 23 Ca 0.00 -0.03 -0.21 0.00 -3.05 0.00 0.00 64.05 60.76 1t0g n THR 23 Cb 0.36 0.38 0.11 0.00 -1.55 0.00 0.00 70.33 69.64 1t0g n THR 23 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1t0g n ASP 24 N -1.28 0.99 -4.56 1.09 8.00 -1.26 -4.94 116.55 114.58 1t0g n ASP 24 Ca 0.07 -1.89 -0.39 0.00 0.71 0.00 0.00 54.79 53.29 1t0g n ASP 24 Cb 0.34 -0.60 -0.03 0.00 -0.02 0.00 0.00 41.12 40.81 1t0g n ASP 24 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1t0g s GLU 25 N -4.84 3.50 1.57 -1.24 2.02 -1.26 -4.72 118.70 113.74 1t0g s GLU 25 Ca 0.58 -1.20 0.00 0.00 0.02 0.00 0.00 54.97 54.37 1t0g s GLU 25 Cb -0.03 -5.36 0.00 0.00 0.10 0.00 0.00 34.13 28.84 1t0g s GLU 25 CO 0.39 -2.43 0.00 0.45 0.02 0.00 0.00 175.26 173.69 1t0g n SER 26 N 9.62 0.00 -1.03 -0.19 2.88 -1.26 -4.99 113.62 118.65 1t0g n SER 26 Ca 0.38 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.98 1t0g n SER 26 Cb 0.49 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.94 1t0g n SER 26 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1t0g n LYS 27 N 0.00 -1.01 -2.74 -1.46 5.02 -1.26 -4.53 118.16 112.18 1t0g n LYS 27 Ca 0.00 0.67 -0.40 0.00 -2.02 0.00 0.00 58.31 56.55 1t0g n LYS 27 Cb 0.00 -1.23 -0.05 0.00 -0.02 0.00 0.00 35.03 33.72 1t0g n LYS 27 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1t0g s PRO 28 N -0.82 4.79 -0.10 1.97 0.02 -1.26 -4.97 135.00 134.64 1t0g s PRO 28 Ca 0.00 1.48 -0.02 0.00 0.02 0.00 0.00 61.00 62.47 1t0g s PRO 28 Cb 0.00 -3.32 -0.03 0.00 0.02 0.00 0.00 34.50 31.17 1t0g s PRO 28 CO 0.00 0.39 0.01 0.42 -0.33 0.00 0.00 177.00 177.48 1t0g s ILE 29 N -0.67 4.36 0.04 2.83 1.09 -1.26 -4.81 121.20 122.78 1t0g s ILE 29 Ca 0.44 -0.23 0.04 0.00 -1.10 0.00 0.00 60.65 59.80 1t0g s ILE 29 Cb -0.25 -2.85 -0.02 0.00 -1.06 0.00 0.00 42.46 38.28 1t0g s ILE 29 CO 0.31 0.59 -0.11 -0.31 -0.10 0.00 0.00 174.94 175.33 1t0g s TYR 30 N -0.76 0.92 0.17 3.97 2.02 -1.19 -0.95 117.35 121.53 1t0g s TYR 30 Ca 0.12 -0.41 0.08 0.00 -0.37 0.00 0.00 57.07 56.48 1t0g s TYR 30 Cb -0.12 -0.54 -0.04 0.00 -0.40 0.00 0.00 41.96 40.86 1t0g s TYR 30 CO 0.02 -0.01 -0.16 0.14 -1.57 0.00 0.00 175.55 173.97 1t0g s VAL 31 N -1.10 1.69 -0.05 0.71 -7.23 -0.88 -0.60 120.40 112.94 1t0g s VAL 31 Ca -0.04 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.15 1t0g s VAL 31 Cb -0.09 -1.88 0.00 0.00 0.56 0.00 0.00 36.38 34.98 1t0g s VAL 31 CO 0.01 -0.46 -0.14 0.00 -0.31 0.00 0.00 175.10 174.20 1t0g s ALA 32 N -2.48 1.36 -0.10 1.32 0.00 -0.24 -0.53 121.76 121.10 1t0g s ALA 32 Ca 0.17 -0.54 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 1t0g s ALA 32 Cb -0.03 -0.52 0.03 0.00 0.00 0.00 0.00 23.12 22.60 1t0g s ALA 32 CO 0.06 0.19 -0.00 0.42 0.00 0.00 0.00 175.76 176.43 1t0g s ILE 33 N 0.33 0.48 -0.81 0.00 1.01 0.41 -1.22 121.20 121.40 1t0g s ILE 33 Ca -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.51 1t0g s ILE 33 Cb -0.13 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.65 1t0g s ILE 33 CO 0.03 0.19 0.00 1.17 0.00 0.00 0.00 174.94 176.33 1t0g n LYS 34 N 5.11 -0.63 -0.43 2.79 3.00 -1.26 -1.50 118.16 125.24 1t0g n LYS 34 Ca -0.08 0.73 0.00 0.00 -0.00 0.00 0.00 58.31 58.96 1t0g n LYS 34 Cb 0.49 -4.57 0.00 0.00 0.00 0.00 0.00 35.03 30.95 1t0g n LYS 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1t0g n GLY 35 N -1.85 0.87 3.70 3.14 0.00 -1.26 -5.03 105.19 104.75 1t0g n GLY 35 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.50 4.22 -0.22 1.61 0.52 -0.56 -0.66 118.95 123.36 1t0g s ARG 36 Ca 0.00 0.11 -0.16 0.00 -0.52 0.00 0.00 55.73 55.16 1t0g s ARG 36 Cb 0.00 -3.47 -0.04 0.00 0.52 0.00 0.00 34.95 31.96 1t0g s ARG 36 CO 0.00 0.14 0.42 0.08 0.02 0.00 0.00 175.30 175.96 1t0g s VAL 37 N 0.77 5.17 -0.10 3.52 1.01 0.08 -0.44 120.40 130.41 1t0g s VAL 37 Ca 0.17 0.74 -0.03 0.00 0.00 0.00 0.00 61.98 62.86 1t0g s VAL 37 Cb -0.14 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1t0g s VAL 37 CO 0.05 0.20 0.01 -0.36 0.00 0.00 0.00 175.10 175.01 1t0g s PHE 38 N 1.61 3.18 -0.41 5.22 0.40 0.31 0.10 117.98 128.39 1t0g s PHE 38 Ca 0.19 0.18 -0.25 0.00 -0.60 0.00 0.00 56.93 56.45 1t0g s PHE 38 Cb -0.15 -1.82 0.02 0.00 0.51 0.00 0.00 43.02 41.58 1t0g s PHE 38 CO 0.09 0.44 0.88 0.34 0.70 0.00 0.00 175.22 177.66 1t0g s ASP 39 N -0.75 6.54 -0.24 1.36 -1.08 -0.63 -2.08 116.67 119.80 1t0g s ASP 39 Ca 0.12 0.26 0.13 0.00 -0.52 0.00 0.00 52.55 52.54 1t0g s ASP 39 Cb -0.12 -2.43 0.57 0.00 -1.46 0.00 0.00 42.92 39.48 1t0g s ASP 39 CO 0.02 -0.91 1.52 1.33 0.52 0.00 0.00 175.17 177.65 1t0g n VAL 40 N 6.14 2.51 0.23 1.11 0.24 -0.12 -4.38 118.33 124.06 1t0g n VAL 40 Ca 0.05 -2.06 0.10 0.00 -2.04 0.00 0.00 64.34 60.39 1t0g n VAL 40 Cb 0.48 -0.30 0.55 0.00 -1.47 0.00 0.00 33.84 33.10 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 1.77 0.64 -0.01 3.34 2.02 -1.88 -0.48 112.91 118.31 1t0g h THR 41 Ca 0.12 -0.95 -0.05 0.00 0.77 0.00 0.00 66.41 66.31 1t0g h THR 41 Cb 1.72 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 69.73 1t0g h THR 41 CO 0.39 0.21 -0.21 0.74 0.37 0.00 0.00 175.52 177.01 1t0g h THR 42 N 0.00 1.16 -1.11 3.16 2.02 -1.91 -2.78 112.91 113.44 1t0g h THR 42 Ca -0.00 -0.75 -0.57 0.00 0.77 0.00 0.00 66.41 65.86 1t0g h THR 42 Cb 0.60 1.40 -0.42 0.00 -1.74 0.00 0.00 68.15 67.98 1t0g h THR 42 CO 0.03 0.21 -0.72 0.61 0.37 0.00 0.00 175.52 176.02 1t0g n GLY 43 N -0.91 6.21 0.37 2.16 0.00 -0.22 -4.80 105.19 108.00 1t0g n GLY 43 Ca -0.02 -2.70 0.05 0.00 0.00 0.00 0.00 46.02 43.35 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 2.36 1.03 -0.93 1.61 3.64 -1.18 0.11 116.57 123.22 1t0g h LYS 44 Ca 0.35 -0.06 0.27 0.00 -1.27 0.00 0.00 60.65 59.93 1t0g h LYS 44 Cb 1.23 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 32.78 1t0g h LYS 44 CO 0.82 0.68 0.73 0.77 -2.27 0.00 0.00 179.45 180.19 1t0g h SER 45 N 1.06 0.00 0.04 4.20 0.02 -1.87 0.39 113.55 117.41 1t0g h SER 45 Ca 0.46 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 61.11 1t0g h SER 45 Cb 0.34 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 1t0g h SER 45 CO -0.22 0.00 -1.68 0.49 -1.14 0.00 0.00 176.83 174.28 1t0g n PHE 46 N -4.05 0.98 -0.11 3.45 3.72 -0.01 -4.34 117.46 117.09 1t0g n PHE 46 Ca 0.19 0.33 -0.24 0.00 -0.05 0.00 0.00 57.45 57.68 1t0g n PHE 46 Cb 1.05 -1.11 -0.11 0.00 -0.94 0.00 0.00 39.48 38.37 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 -4.03 0.45 -1.22 1.38 4.01 -0.82 -2.98 117.16 113.94 1t0g n TYR 47 Ca -0.35 0.15 0.07 0.00 -0.16 0.00 0.00 57.90 57.61 1t0g n TYR 47 Cb 0.84 -1.05 0.19 0.00 -0.31 0.00 0.00 39.34 39.01 1t0g n TYR 47 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1t0g n GLY 48 N 1.61 4.75 2.39 2.72 0.00 0.12 -3.77 105.19 113.01 1t0g n GLY 48 Ca -0.44 -1.17 -0.24 0.00 0.00 0.00 0.00 46.02 44.18 1t0g n GLY 48 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t0g n SER 49 N -1.11 -0.69 -3.91 1.61 7.64 -0.34 -4.82 113.62 111.99 1t0g n SER 49 Ca 0.21 -2.51 -0.30 0.00 1.01 0.00 0.00 58.87 57.28 1t0g n SER 49 Cb 0.77 -0.30 0.03 0.00 -1.01 0.00 0.00 64.21 63.70 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 2.52 -0.50 3.90 0.23 0.00 -1.26 -4.70 105.19 105.37 1t0g n GLY 50 Ca 0.26 0.20 -0.20 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.32 1.93 0.38 -0.02 0.00 -1.25 -5.00 107.32 100.03 1t0g s GLY 51 Ca 0.66 -1.73 0.16 0.00 0.00 0.00 0.00 44.72 43.80 1t0g s GLY 51 CO 0.83 -1.59 1.80 -1.80 0.00 0.00 0.00 173.10 172.34 1t0g h ASP 52 N 1.05 0.00 -0.21 1.64 3.58 -1.90 -2.69 116.42 117.89 1t0g h ASP 52 Ca -0.43 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.02 1t0g h ASP 52 Cb 1.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.31 1t0g h ASP 52 CO 0.56 0.38 0.00 -1.22 -2.88 0.00 0.00 179.24 176.07 1t0g n TYR 53 N -3.86 0.52 0.31 0.28 4.01 -1.16 -3.95 117.16 113.30 1t0g n TYR 53 Ca -0.01 -0.20 0.20 0.00 -0.16 0.00 0.00 57.90 57.72 1t0g n TYR 53 Cb 0.44 -0.13 0.93 0.00 -0.31 0.00 0.00 39.34 40.27 1t0g n TYR 53 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1t0g h SER 54 N 1.34 0.00 1.21 7.72 0.87 -1.57 -1.52 113.55 121.60 1t0g h SER 54 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1t0g h SER 54 Cb 0.70 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1t0g h SER 54 CO 0.09 0.01 0.00 0.24 -0.53 0.00 0.00 176.83 176.64 1t0g h MET 55 N 0.00 0.00 0.00 2.24 2.86 -1.85 -2.60 114.93 115.58 1t0g h MET 55 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1t0g h MET 55 Cb 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1t0g h MET 55 CO 0.00 0.00 -1.44 1.19 1.06 0.00 0.00 176.91 177.72 1t0g n PHE 56 N -2.65 0.54 -2.03 -0.22 3.01 -0.58 -4.65 117.46 110.87 1t0g n PHE 56 Ca 0.03 0.16 -0.41 0.00 1.01 0.00 0.00 57.45 58.23 1t0g n PHE 56 Cb 0.35 -0.75 -0.03 0.00 -0.01 0.00 0.00 39.48 39.04 1t0g n PHE 56 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1t0g s ALA 57 N -3.43 2.63 0.00 4.37 0.00 -0.98 -1.79 121.76 122.56 1t0g s ALA 57 Ca -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1t0g s ALA 57 Cb 0.12 -4.11 0.00 0.00 0.00 0.00 0.00 23.12 19.13 1t0g s ALA 57 CO 0.84 -3.05 0.00 0.41 0.00 0.00 0.00 175.76 173.96 1t0g n GLY 58 N 5.49 0.68 3.00 0.00 0.00 0.23 -4.32 105.19 110.27 1t0g n GLY 58 Ca 0.22 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.99 0.26 -0.15 1.61 -0.14 -0.74 -2.93 119.74 114.66 1t0g s LYS 59 Ca 0.00 -0.25 -0.19 0.00 -1.36 0.00 0.00 55.97 54.16 1t0g s LYS 59 Cb 0.00 0.10 -0.03 0.00 -1.68 0.00 0.00 37.83 36.22 1t0g s LYS 59 CO 0.00 -0.05 0.55 0.34 -0.76 0.00 0.00 175.35 175.43 1t0g s ASP 60 N -0.79 6.69 -0.23 2.83 -1.08 -1.26 -1.08 116.67 121.75 1t0g s ASP 60 Ca -0.09 0.83 0.11 0.00 -0.52 0.00 0.00 52.55 52.88 1t0g s ASP 60 Cb -0.05 -2.32 0.44 0.00 -1.46 0.00 0.00 42.92 39.53 1t0g s ASP 60 CO 0.00 -0.12 1.20 0.00 0.52 0.00 0.00 175.17 176.77 1t0g n ALA 61 N 4.28 4.01 -0.24 3.66 0.00 -0.36 -3.02 120.51 128.83 1t0g n ALA 61 Ca -0.04 -3.39 0.01 0.00 0.00 0.00 0.00 53.44 50.02 1t0g n ALA 61 Cb 0.51 -0.39 0.13 0.00 0.00 0.00 0.00 19.45 19.70 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 1.47 0.48 -0.21 0.00 0.02 -1.72 0.88 113.55 114.48 1t0g h SER 62 Ca 0.11 0.06 -0.13 0.00 -0.84 0.00 0.00 61.79 60.98 1t0g h SER 62 Cb 1.26 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 1t0g h SER 62 CO 0.28 0.28 -0.32 -0.09 -1.14 0.00 0.00 176.83 175.83 1t0g h ARG 63 N 0.62 0.72 -0.14 3.45 2.43 -0.90 -3.06 114.38 117.50 1t0g h ARG 63 Ca 0.34 -0.33 -0.13 0.00 -0.81 0.00 0.00 59.98 59.05 1t0g h ARG 63 Cb 0.34 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1t0g h ARG 63 CO -0.26 0.94 -0.49 0.00 -1.51 0.00 0.00 179.97 178.65 1t0g h ALA 64 N 1.03 0.90 0.00 2.80 0.00 0.16 -0.70 119.26 123.45 1t0g h ALA 64 Ca 0.07 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1t0g h ALA 64 Cb 0.84 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1t0g h ALA 64 CO 0.07 0.66 -0.24 -0.07 0.00 0.00 0.00 179.25 179.68 1t0g h LEU 65 N 0.30 0.00 0.00 0.00 3.38 -0.88 0.47 115.31 118.58 1t0g h LEU 65 Ca 0.01 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.80 1t0g h LEU 65 Cb 0.97 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1t0g h LEU 65 CO 0.08 0.24 -1.39 1.23 0.09 0.00 0.00 178.44 178.69 1t0g h GLY 66 N 0.93 0.00 1.00 0.83 0.00 -1.09 -3.06 103.07 101.68 1t0g h GLY 66 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1t0g h GLY 66 CO 0.03 0.00 -1.32 0.28 0.00 0.00 0.00 176.54 175.53 1t0g n LYS 67 N -2.95 0.62 -1.17 4.80 4.76 -0.40 -4.72 118.16 119.10 1t0g n LYS 67 Ca -0.10 0.21 -0.04 0.00 -2.87 0.00 0.00 58.31 55.50 1t0g n LYS 67 Cb 0.87 -1.82 -0.02 0.00 -1.84 0.00 0.00 35.03 32.23 1t0g n LYS 67 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1t0g n MET 68 N -2.85 -0.30 -4.08 1.97 2.81 0.16 -5.00 117.12 109.84 1t0g n MET 68 Ca -0.08 0.63 -0.31 0.00 -1.81 0.00 0.00 57.70 56.14 1t0g n MET 68 Cb 0.78 -4.31 -0.07 0.00 -0.71 0.00 0.00 33.22 28.91 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 -2.95 5.38 -0.01 7.83 0.01 -1.03 -5.00 113.70 117.93 1t0g s SER 69 Ca 0.00 -0.05 0.07 0.00 1.31 0.00 0.00 55.95 57.29 1t0g s SER 69 Cb 0.00 -1.41 -0.10 0.00 0.21 0.00 0.00 66.02 64.72 1t0g s SER 69 CO 0.00 0.18 0.22 0.29 0.41 0.00 0.00 173.24 174.35 1t0g n LYS 70 N 0.57 1.96 -1.69 12.44 5.02 -1.26 -4.62 118.16 130.57 1t0g n LYS 70 Ca -0.10 -0.04 -0.42 0.00 -2.02 0.00 0.00 58.31 55.74 1t0g n LYS 70 Cb 0.52 -1.05 0.01 0.00 -0.02 0.00 0.00 35.03 34.49 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 -1.53 2.42 0.20 4.39 6.94 -1.26 -4.76 115.26 121.66 1t0g n ASN 71 Ca -0.00 1.13 0.16 0.00 -0.02 0.00 0.00 54.58 55.84 1t0g n ASN 71 Cb 0.16 -1.47 0.79 0.00 -2.36 0.00 0.00 39.78 36.90 1t0g n ASN 71 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 1t0g h GLU 72 N 2.15 0.00 -0.65 -3.83 4.11 -1.94 -0.69 114.58 113.73 1t0g h GLU 72 Ca -0.47 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.04 1t0g h GLU 72 Cb 1.30 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.49 1t0g h GLU 72 CO 0.60 0.00 0.33 1.49 0.07 0.00 0.00 179.01 181.51 1t0g h GLU 73 N 0.00 0.58 0.00 1.06 4.57 -1.99 -2.92 114.58 115.88 1t0g h GLU 73 Ca 0.08 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1t0g h GLU 73 Cb 0.39 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1t0g h GLU 73 CO -0.00 0.39 -1.17 -0.25 -1.18 0.00 0.00 179.01 176.80 1t0g n ASP 74 N -4.85 0.57 -4.56 1.04 8.00 -0.35 -4.69 116.55 111.71 1t0g n ASP 74 Ca 0.09 -0.16 -0.41 0.00 0.71 0.00 0.00 54.79 55.02 1t0g n ASP 74 Cb 0.21 0.94 -0.03 0.00 -0.02 0.00 0.00 41.12 42.23 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 -3.25 3.81 -0.07 2.53 1.01 -0.69 -1.34 120.40 122.40 1t0g s VAL 75 Ca 0.02 0.57 -0.17 0.00 0.00 0.00 0.00 61.98 62.39 1t0g s VAL 75 Cb 0.14 -4.85 0.04 0.00 0.00 0.00 0.00 36.38 31.71 1t0g s VAL 75 CO 0.82 -1.69 0.41 -0.55 0.00 0.00 0.00 175.10 174.09 1t0g s SER 76 N 3.54 -0.35 0.00 3.32 0.15 -1.20 -4.86 113.70 114.30 1t0g s SER 76 Ca 0.38 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.48 1t0g s SER 76 Cb -0.08 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 1t0g s SER 76 CO 0.18 -0.37 1.18 -0.81 1.20 0.00 0.00 173.24 174.62 1t0g n PRO 77 N 1.74 0.86 -3.97 5.44 -0.04 -1.17 -2.93 135.00 134.93 1t0g n PRO 77 Ca -0.18 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.18 1t0g n PRO 77 Cb 0.56 -1.07 -0.03 0.00 -0.04 0.00 0.00 33.50 32.92 1t0g n PRO 77 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1t0g s SER 78 N 1.37 0.13 -0.05 3.54 0.15 -1.26 -4.87 113.70 112.71 1t0g s SER 78 Ca 0.00 -1.06 0.14 0.00 0.70 0.00 0.00 55.95 55.74 1t0g s SER 78 Cb 0.00 0.66 0.27 0.00 -1.71 0.00 0.00 66.02 65.24 1t0g s SER 78 CO 0.00 -1.29 1.12 0.00 1.20 0.00 0.00 173.24 174.27 1t0g n LEU 79 N -0.46 1.10 -4.67 3.45 -0.00 -1.26 -0.68 117.00 114.48 1t0g n LEU 79 Ca -0.02 -2.10 -0.42 0.00 -0.00 0.00 0.00 56.01 53.47 1t0g n LEU 79 Cb 0.61 -0.13 -0.03 0.00 -0.00 0.00 0.00 43.42 43.87 1t0g n LEU 79 CO 0.24 0.58 1.54 -0.70 -0.00 0.00 0.00 177.39 179.05 1t0g s GLU 80 N -0.85 4.15 0.00 1.47 2.56 -1.26 -1.32 118.70 123.45 1t0g s GLU 80 Ca 0.23 2.54 0.00 0.00 0.00 0.00 0.00 54.97 57.74 1t0g s GLU 80 Cb 0.25 -4.03 0.00 0.00 2.00 0.00 0.00 34.13 32.34 1t0g s GLU 80 CO -0.07 -0.91 0.00 0.41 -0.56 0.00 0.00 175.26 174.12 1t0g n GLY 81 N 4.42 1.68 3.59 -1.50 0.00 -1.26 -5.05 105.19 107.06 1t0g n GLY 81 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 4.14 0.00 0.99 1.02 -0.43 -5.04 118.68 119.35 1t0g s LEU 82 Ca 0.00 0.36 -0.06 0.00 0.02 0.00 0.00 54.13 54.45 1t0g s LEU 82 Cb 0.00 -3.00 0.10 0.00 0.02 0.00 0.00 46.19 43.30 1t0g s LEU 82 CO 0.00 -0.70 0.58 1.07 0.02 0.00 0.00 176.35 177.31 1t0g n THR 83 N 5.74 0.00 -0.21 5.49 5.66 -1.26 -4.66 114.28 125.05 1t0g n THR 83 Ca 0.03 -0.51 0.01 0.00 -3.05 0.00 0.00 64.05 60.53 1t0g n THR 83 Cb 0.48 -1.64 0.12 0.00 -1.55 0.00 0.00 70.33 67.74 1t0g n THR 83 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1t0g h GLU 84 N 0.00 0.30 -0.80 1.09 4.81 -1.98 -0.13 114.58 117.88 1t0g h GLU 84 Ca -0.19 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1t0g h GLU 84 Cb 0.55 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 1t0g h GLU 84 CO 0.14 0.20 0.49 1.57 -0.73 0.00 0.00 179.01 180.69 1t0g h LYS 85 N 0.31 1.08 -0.24 1.92 2.10 -1.99 0.21 116.57 119.95 1t0g h LYS 85 Ca 0.33 -0.09 -0.13 0.00 -2.00 0.00 0.00 60.65 58.76 1t0g h LYS 85 Cb 0.48 -0.23 -0.00 0.00 -0.90 0.00 0.00 32.23 31.58 1t0g h LYS 85 CO -0.39 0.75 -0.37 0.93 -2.00 0.00 0.00 179.45 178.37 1t0g h GLU 86 N 1.09 0.68 -0.58 0.07 4.39 -1.50 -2.45 114.58 116.28 1t0g h GLU 86 Ca 0.29 -0.40 -0.06 0.00 0.34 0.00 0.00 59.36 59.52 1t0g h GLU 86 Cb -0.06 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 1t0g h GLU 86 CO -0.06 1.02 0.12 0.82 -1.16 0.00 0.00 179.01 179.75 1t0g h ILE 87 N 0.39 1.24 -0.99 3.13 2.04 -0.80 -2.67 117.51 119.85 1t0g h ILE 87 Ca 0.02 -0.90 0.17 0.00 1.00 0.00 0.00 64.86 65.15 1t0g h ILE 87 Cb 0.96 0.67 -0.10 0.00 -0.74 0.00 0.00 36.82 37.61 1t0g h ILE 87 CO 0.08 0.34 0.60 0.78 0.00 0.00 0.00 178.15 179.95 1t0g h ASN 88 N 0.87 0.80 -0.52 1.72 2.35 -0.11 0.40 115.58 121.09 1t0g h ASN 88 Ca 0.18 0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 1t0g h ASN 88 Cb 0.35 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 1t0g h ASN 88 CO 0.00 0.32 0.30 0.74 -1.65 0.00 0.00 177.43 177.15 1t0g h THR 89 N 0.81 1.16 -0.13 2.81 2.02 -1.28 -2.13 112.91 116.17 1t0g h THR 89 Ca 0.55 -0.39 -0.19 0.00 0.77 0.00 0.00 66.41 67.15 1t0g h THR 89 Cb 0.77 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1t0g h THR 89 CO -0.35 0.17 -0.71 0.25 0.37 0.00 0.00 175.52 175.25 1t0g h LEU 90 N 0.69 0.67 -1.11 2.58 5.85 -0.75 -2.44 115.31 120.80 1t0g h LEU 90 Ca 0.18 -0.42 0.10 0.00 0.84 0.00 0.00 57.88 58.58 1t0g h LEU 90 Cb 0.01 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 40.77 1t0g h LEU 90 CO -0.03 1.18 0.61 0.78 -0.34 0.00 0.00 178.44 180.63 1t0g h ASN 91 N 0.40 0.89 -0.44 1.25 -0.26 -0.16 0.41 115.58 117.65 1t0g h ASN 91 Ca -0.03 0.03 -0.12 0.00 -0.56 0.00 0.00 56.30 55.62 1t0g h ASN 91 Cb 1.29 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 38.39 1t0g h ASN 91 CO 0.13 0.52 -0.20 -0.78 -1.06 0.00 0.00 177.43 176.04 1t0g h ASP 92 N 0.98 0.94 -0.75 5.81 3.58 -1.01 -2.86 116.42 123.11 1t0g h ASP 92 Ca 0.44 -0.40 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 1t0g h ASP 92 Cb 0.39 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 1t0g h ASP 92 CO -0.20 1.13 0.38 -0.50 -2.88 0.00 0.00 179.24 177.17 1t0g h TRP 93 N 0.75 1.06 -0.83 0.28 4.06 -0.59 -2.14 115.95 118.54 1t0g h TRP 93 Ca 0.10 -0.04 0.15 0.00 2.06 0.00 0.00 58.89 61.15 1t0g h TRP 93 Cb 0.77 -0.33 -0.09 0.00 -1.00 0.00 0.00 29.16 28.50 1t0g h TRP 93 CO 0.05 0.77 0.41 0.93 -3.56 0.00 0.00 178.44 177.05 1t0g h GLU 94 N 1.05 0.57 0.00 0.49 5.08 -0.15 -0.97 114.58 120.65 1t0g h GLU 94 Ca 0.26 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 1t0g h GLU 94 Cb 0.09 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1t0g h GLU 94 CO -0.04 0.38 -0.34 1.15 -1.00 0.00 0.00 179.01 179.16 1t0g h THR 95 N 0.59 1.20 -0.02 1.13 2.02 -1.17 0.94 112.91 117.59 1t0g h THR 95 Ca 0.45 -1.20 -0.18 0.00 0.77 0.00 0.00 66.41 66.25 1t0g h THR 95 Cb 0.65 1.66 0.01 0.00 -1.74 0.00 0.00 68.15 68.73 1t0g h THR 95 CO -0.37 0.34 -0.71 0.11 0.37 0.00 0.00 175.52 175.26 1t0g h LYS 96 N 0.00 0.51 -0.20 6.66 1.79 -0.85 -3.07 116.57 121.41 1t0g h LYS 96 Ca -0.00 -0.53 -0.20 0.00 -2.18 0.00 0.00 60.65 57.75 1t0g h LYS 96 Cb 0.63 0.14 0.01 0.00 -1.58 0.00 0.00 32.23 31.43 1t0g h LYS 96 CO 0.04 1.16 -0.64 0.74 -1.08 0.00 0.00 179.45 179.67 1t0g h PHE 97 N 0.07 1.02 -0.04 -1.35 -1.00 -1.35 -3.26 116.94 111.04 1t0g h PHE 97 Ca -0.08 -0.42 0.01 0.00 2.81 0.00 0.00 57.97 60.29 1t0g h PHE 97 Cb 1.39 -0.17 -0.00 0.00 3.61 0.00 0.00 35.95 40.78 1t0g h PHE 97 CO 0.13 1.24 0.19 1.49 -1.61 0.00 0.00 178.31 179.75 1t0g h GLU 98 N 0.52 0.00 -0.01 1.51 4.22 -0.75 0.42 114.58 120.48 1t0g h GLU 98 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.42 1t0g h GLU 98 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1t0g h GLU 98 CO 0.14 0.00 -0.45 0.00 -2.18 0.00 0.00 179.01 176.52 1t0g n ALA 99 N -2.04 3.45 0.00 2.92 0.00 -1.17 -4.59 120.51 119.09 1t0g n ALA 99 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1t0g n ALA 99 Cb 0.26 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.31 0.12 -4.65 0.00 4.01 -0.31 -5.04 118.16 111.99 1t0g n LYS 100 Ca 0.07 0.00 -0.33 0.00 -0.51 0.00 0.00 58.31 57.54 1t0g n LYS 100 Cb 0.36 -0.95 -0.14 0.00 -0.51 0.00 0.00 35.03 33.80 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 -1.90 2.88 0.26 2.13 2.02 0.13 -5.08 117.35 117.79 1t0g s TYR 101 Ca 0.00 -0.51 -0.30 0.00 -0.37 0.00 0.00 57.07 55.90 1t0g s TYR 101 Cb 0.00 -1.88 -0.09 0.00 -0.40 0.00 0.00 41.96 39.59 1t0g s TYR 101 CO 0.00 -0.13 0.98 -1.25 -1.57 0.00 0.00 175.55 173.58 1t0g s PRO 102 N 0.31 4.78 -0.44 -1.71 0.04 -1.26 -4.41 135.00 132.31 1t0g s PRO 102 Ca -0.08 1.56 -0.28 0.00 0.04 0.00 0.00 61.00 62.24 1t0g s PRO 102 Cb -0.15 -3.23 0.01 0.00 0.04 0.00 0.00 34.50 31.17 1t0g s PRO 102 CO 0.05 0.42 1.46 0.08 0.04 0.00 0.00 177.00 179.05 1t0g s VAL 103 N -1.20 3.83 -1.78 -0.36 1.01 -1.26 -1.60 120.40 119.04 1t0g s VAL 103 Ca 0.42 0.82 0.19 0.00 0.00 0.00 0.00 61.98 63.41 1t0g s VAL 103 Cb -0.27 -4.19 0.45 0.00 0.00 0.00 0.00 36.38 32.37 1t0g s VAL 103 CO 0.34 -0.81 1.37 1.33 0.00 0.00 0.00 175.10 177.34 1t0g n VAL 104 N 7.08 0.79 -2.32 2.92 0.24 0.11 -4.95 118.33 122.21 1t0g n VAL 104 Ca 0.16 -0.89 0.00 0.00 -2.04 0.00 0.00 64.34 61.57 1t0g n VAL 104 Cb 0.48 0.69 0.00 0.00 -1.47 0.00 0.00 33.84 33.54 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 1.23 -0.53 3.19 7.63 0.00 -1.14 0.21 105.19 115.78 1t0g n GLY 105 Ca 0.18 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.57 0.90 -0.12 1.61 1.70 0.09 -0.74 118.95 120.82 1t0g s ARG 106 Ca 0.00 -1.38 -0.03 0.00 -0.47 0.00 0.00 55.73 53.85 1t0g s ARG 106 Cb 0.00 -0.24 -0.03 0.00 -0.57 0.00 0.00 34.95 34.11 1t0g s ARG 106 CO 0.00 -0.03 0.01 0.54 -1.08 0.00 0.00 175.30 174.74 1t0g s VAL 107 N -3.61 4.40 0.04 4.99 0.11 0.16 -0.38 120.40 126.11 1t0g s VAL 107 Ca 0.14 -0.20 0.09 0.00 -2.93 0.00 0.00 61.98 59.08 1t0g s VAL 107 Cb 0.05 -2.89 -0.03 0.00 -1.53 0.00 0.00 36.38 31.98 1t0g s VAL 107 CO -0.03 0.56 -0.24 0.68 -3.33 0.00 0.00 175.10 172.74 1t0g s VAL 108 N -0.45 2.28 0.00 2.04 -7.23 0.23 -4.87 120.40 112.40 1t0g s VAL 108 Ca 0.09 -1.31 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 1t0g s VAL 108 Cb -0.12 -1.89 0.00 0.00 0.56 0.00 0.00 36.38 34.92 1t0g s VAL 108 CO 0.02 0.39 0.00 -0.24 -0.31 0.00 0.00 175.10 174.96