#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 0.54 -1.24 3.17 0.00 -1.26 -4.88 107.32 103.65 1t0g s GLY 2 Ca 0.00 0.55 -0.19 0.00 0.00 0.00 0.00 44.72 45.08 1t0g s GLY 2 CO 0.00 3.65 1.70 0.30 0.00 0.00 0.00 173.10 178.75 1t0g s HIS 3 N 8.11 2.68 -0.17 1.90 4.02 -1.26 -4.58 115.29 125.99 1t0g s HIS 3 Ca 0.93 -1.35 0.19 0.00 1.02 0.00 0.00 55.06 55.86 1t0g s HIS 3 Cb -0.28 -4.70 -0.08 0.00 -1.02 0.00 0.00 32.58 26.50 1t0g s HIS 3 CO 0.34 -1.80 0.93 0.45 1.02 0.00 0.00 174.74 175.68 1t0g h HIS 4 N 8.14 0.00 -2.72 1.40 -0.00 -2.05 -3.40 115.15 116.51 1t0g h HIS 4 Ca 0.39 0.00 -0.69 0.00 -0.00 0.00 0.00 60.37 60.07 1t0g h HIS 4 Cb 0.90 0.00 -0.18 0.00 -0.00 0.00 0.00 27.41 28.13 1t0g h HIS 4 CO 1.39 0.34 0.54 -1.01 -0.00 0.00 0.00 177.93 179.20 1t0g s HIS 5 N -3.10 3.08 -0.41 2.45 3.76 -1.26 -4.97 115.29 114.83 1t0g s HIS 5 Ca -0.02 -1.21 -0.08 0.00 -0.15 0.00 0.00 55.06 53.60 1t0g s HIS 5 Cb 0.09 -4.18 0.08 0.00 1.11 0.00 0.00 32.58 29.69 1t0g s HIS 5 CO 0.80 -1.42 0.24 -3.38 -0.85 0.00 0.00 174.74 170.13 1t0g s HIS 6 N 2.65 3.36 -0.68 1.40 -0.00 -1.26 -5.03 115.29 115.73 1t0g s HIS 6 Ca 0.25 -1.65 -0.17 0.00 -0.00 0.00 0.00 55.06 53.49 1t0g s HIS 6 Cb -0.12 -2.96 0.14 0.00 -0.00 0.00 0.00 32.58 29.64 1t0g s HIS 6 CO -0.02 -0.86 0.73 -1.58 -0.00 0.00 0.00 174.74 173.00 1t0g s HIS 7 N 1.38 3.26 0.00 0.38 5.65 -1.26 -4.80 115.29 119.91 1t0g s HIS 7 Ca 0.03 -1.35 0.00 0.00 0.25 0.00 0.00 55.06 53.99 1t0g s HIS 7 Cb -0.23 -3.95 0.00 0.00 -1.18 0.00 0.00 32.58 27.22 1t0g s HIS 7 CO 0.01 -1.18 0.00 0.72 -0.65 0.00 0.00 174.74 173.64 1t0g n HIS 8 N 5.52 0.00 -4.32 3.88 -0.00 -1.26 -4.55 115.22 114.49 1t0g n HIS 8 Ca -0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.52 1t0g n HIS 8 Cb 0.44 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.27 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 1.67 -0.15 2.41 -0.00 -1.26 -4.71 118.68 116.64 1t0g s LEU 9 Ca 0.00 -0.17 -0.04 0.00 -0.00 0.00 0.00 54.13 53.93 1t0g s LEU 9 Cb 0.00 -0.51 -0.03 0.00 -0.00 0.00 0.00 46.19 45.65 1t0g s LEU 9 CO 0.00 0.03 -0.03 -1.61 -0.00 0.00 0.00 176.35 174.74 1t0g s GLU 10 N 0.40 3.60 -0.10 1.48 0.41 0.16 -4.91 118.70 119.74 1t0g s GLU 10 Ca -0.06 -0.50 -0.24 0.00 -0.41 0.00 0.00 54.97 53.76 1t0g s GLU 10 Cb -0.10 -2.91 -0.03 0.00 -1.78 0.00 0.00 34.13 29.31 1t0g s GLU 10 CO 0.01 0.30 0.75 -2.00 -0.49 0.00 0.00 175.26 173.83 1t0g s GLU 11 N 0.21 4.40 0.10 1.61 2.12 -1.26 -0.61 118.70 125.26 1t0g s GLU 11 Ca -0.02 0.94 0.09 0.00 0.36 0.00 0.00 54.97 56.34 1t0g s GLU 11 Cb -0.14 -3.49 -0.03 0.00 0.26 0.00 0.00 34.13 30.73 1t0g s GLU 11 CO 0.03 -0.06 -0.24 -0.06 -0.54 0.00 0.00 175.26 174.38 1t0g s PHE 12 N 1.22 2.10 0.16 5.30 0.08 0.48 -4.95 117.98 122.38 1t0g s PHE 12 Ca 0.38 -0.40 0.03 0.00 0.12 0.00 0.00 56.93 57.07 1t0g s PHE 12 Cb -0.18 -1.17 -0.04 0.00 -0.57 0.00 0.00 43.02 41.07 1t0g s PHE 12 CO 0.17 0.24 0.26 0.99 -0.10 0.00 0.00 175.22 176.78 1t0g s THR 13 N -1.02 5.12 0.19 0.64 2.01 -1.26 0.87 115.64 122.20 1t0g s THR 13 Ca 0.11 -0.82 -0.13 0.00 0.31 0.00 0.00 61.69 61.16 1t0g s THR 13 Cb -0.10 -3.65 0.11 0.00 0.01 0.00 0.00 72.50 68.87 1t0g s THR 13 CO 0.04 -0.13 1.71 0.00 -0.69 0.00 0.00 174.62 175.56 1t0g h ALA 14 N 2.08 0.57 -0.02 7.40 0.00 -1.23 0.54 119.26 128.59 1t0g h ALA 14 Ca -0.49 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 1t0g h ALA 14 Cb 1.20 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1t0g h ALA 14 CO 0.67 -0.31 -0.60 0.93 0.00 0.00 0.00 179.25 179.93 1t0g h GLU 15 N 0.23 0.08 -0.21 0.00 4.39 -1.92 -1.05 114.58 116.10 1t0g h GLU 15 Ca 0.25 -0.06 -0.15 0.00 0.34 0.00 0.00 59.36 59.75 1t0g h GLU 15 Cb 0.35 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1t0g h GLU 15 CO -0.34 0.66 -0.47 1.96 -1.16 0.00 0.00 179.01 179.67 1t0g h GLN 16 N 0.06 0.69 -0.70 2.33 7.50 -1.71 -3.14 115.11 120.14 1t0g h GLN 16 Ca -0.01 -0.46 -0.04 0.00 0.50 0.00 0.00 58.65 58.65 1t0g h GLN 16 Cb 1.08 0.06 -0.03 0.00 0.05 0.00 0.00 27.48 28.64 1t0g h GLN 16 CO 0.08 1.08 0.29 1.25 -1.50 0.00 0.00 178.83 180.03 1t0g h LEU 17 N 0.39 0.93 -0.41 1.46 7.12 0.36 -1.94 115.31 123.23 1t0g h LEU 17 Ca 0.00 -0.12 0.00 0.00 0.13 0.00 0.00 57.88 57.89 1t0g h LEU 17 Cb 1.07 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 40.96 1t0g h LEU 17 CO 0.10 0.82 0.00 -1.20 -0.13 0.00 0.00 178.44 178.03 1t0g n SER 18 N -4.31 0.20 -0.99 1.25 7.64 -0.43 -0.28 113.62 116.71 1t0g n SER 18 Ca 0.06 0.58 0.12 0.00 1.01 0.00 0.00 58.87 60.64 1t0g n SER 18 Cb 0.17 -0.61 0.13 0.00 -1.01 0.00 0.00 64.21 62.89 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 -1.75 2.35 -0.93 1.43 6.02 -0.73 -3.84 117.38 119.93 1t0g n GLN 19 Ca 0.01 -1.98 -0.10 0.00 -0.01 0.00 0.00 57.00 54.92 1t0g n GLN 19 Cb 0.06 -1.47 0.21 0.00 1.02 0.00 0.00 30.24 30.06 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 1.35 1.78 0.38 1.08 4.02 0.61 -4.50 117.16 121.88 1t0g n TYR 20 Ca 0.15 -1.60 0.13 0.00 -0.01 0.00 0.00 57.90 56.57 1t0g n TYR 20 Cb 0.60 -0.63 0.39 0.00 -0.02 0.00 0.00 39.34 39.68 1t0g n TYR 20 CO 0.00 0.00 0.00 -2.95 -1.01 0.00 0.00 176.86 172.90 1t0g h ASN 21 N 1.17 0.00 0.00 7.72 -1.07 -1.67 -1.79 115.58 119.94 1t0g h ASN 21 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.71 1t0g h ASN 21 Cb 2.06 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 38.31 1t0g h ASN 21 CO 0.62 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.73 1t0g n GLY 22 N 0.78 0.84 0.03 9.14 0.00 -1.26 -3.96 105.19 110.77 1t0g n GLY 22 Ca 0.03 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.29 0.17 -1.79 2.61 5.66 -1.21 -3.77 114.28 113.65 1t0g n THR 23 Ca 0.00 -0.11 -0.29 0.00 -3.05 0.00 0.00 64.05 60.60 1t0g n THR 23 Cb 0.00 -0.17 0.15 0.00 -1.55 0.00 0.00 70.33 68.76 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 -3.51 3.50 -1.10 1.09 -1.08 -1.26 -4.89 116.67 109.42 1t0g s ASP 24 Ca 0.11 0.59 -0.18 0.00 -0.52 0.00 0.00 52.55 52.54 1t0g s ASP 24 Cb 0.16 -0.89 0.12 0.00 -1.46 0.00 0.00 42.92 40.85 1t0g s ASP 24 CO 0.64 -2.52 1.39 -0.70 0.52 0.00 0.00 175.17 174.50 1t0g s GLU 25 N -5.65 3.81 -0.09 4.34 2.12 -1.26 -4.37 118.70 117.61 1t0g s GLU 25 Ca 0.68 -1.92 -0.03 0.00 0.36 0.00 0.00 54.97 54.05 1t0g s GLU 25 Cb -0.09 -5.16 0.00 0.00 0.26 0.00 0.00 34.13 29.15 1t0g s GLU 25 CO 0.52 -1.94 0.12 0.45 -0.54 0.00 0.00 175.26 173.87 1t0g n SER 26 N 7.06 -3.20 -4.29 -1.70 2.88 -1.26 -5.11 113.62 108.00 1t0g n SER 26 Ca 0.34 0.11 -0.16 0.00 -1.33 0.00 0.00 58.87 57.83 1t0g n SER 26 Cb 0.47 -1.88 -0.10 0.00 -0.75 0.00 0.00 64.21 61.95 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 -1.31 1.17 0.47 -1.46 1.02 -1.26 -5.13 119.74 113.24 1t0g s LYS 27 Ca 0.05 -1.50 -0.25 0.00 0.02 0.00 0.00 55.97 54.29 1t0g s LYS 27 Cb -0.01 -0.84 -0.08 0.00 -0.52 0.00 0.00 37.83 36.38 1t0g s LYS 27 CO 0.15 0.12 1.39 -2.30 -0.92 0.00 0.00 175.35 173.80 1t0g n PRO 28 N -0.24 2.08 -4.34 -1.68 -0.02 -1.26 -4.66 135.00 124.88 1t0g n PRO 28 Ca -0.09 0.75 -0.34 0.00 -2.02 0.00 0.00 63.50 61.79 1t0g n PRO 28 Cb 0.60 -2.58 -0.11 0.00 -0.02 0.00 0.00 33.50 31.39 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 -1.22 4.09 0.07 4.25 1.09 -1.25 -4.52 121.20 123.70 1t0g s ILE 29 Ca 0.63 -0.29 0.05 0.00 -1.10 0.00 0.00 60.65 59.94 1t0g s ILE 29 Cb -0.45 -2.79 -0.03 0.00 -1.06 0.00 0.00 42.46 38.13 1t0g s ILE 29 CO 0.56 0.50 -0.14 -0.31 -0.10 0.00 0.00 174.94 175.45 1t0g s TYR 30 N 0.21 1.16 0.20 3.97 2.02 -0.67 -1.32 117.35 122.91 1t0g s TYR 30 Ca -0.01 -0.45 0.06 0.00 -0.37 0.00 0.00 57.07 56.30 1t0g s TYR 30 Cb -0.13 -0.66 -0.05 0.00 -0.40 0.00 0.00 41.96 40.72 1t0g s TYR 30 CO 0.02 0.04 -0.11 0.14 -1.57 0.00 0.00 175.55 174.07 1t0g s VAL 31 N -1.25 1.52 -0.02 0.71 -7.23 -1.02 -0.03 120.40 113.09 1t0g s VAL 31 Ca -0.02 -2.15 0.03 0.00 -1.81 0.00 0.00 61.98 58.03 1t0g s VAL 31 Cb -0.10 -2.05 -0.00 0.00 0.56 0.00 0.00 36.38 34.79 1t0g s VAL 31 CO 0.02 -0.59 -0.11 0.00 -0.31 0.00 0.00 175.10 174.11 1t0g s ALA 32 N -3.11 0.99 -0.14 1.32 0.00 -0.65 -1.07 121.76 119.11 1t0g s ALA 32 Ca 0.22 -0.44 -0.01 0.00 0.00 0.00 0.00 51.96 51.73 1t0g s ALA 32 Cb 0.01 -0.32 0.04 0.00 0.00 0.00 0.00 23.12 22.85 1t0g s ALA 32 CO 0.06 0.19 -0.02 0.42 0.00 0.00 0.00 175.76 176.41 1t0g s ILE 33 N -0.00 0.76 -1.30 0.00 1.01 0.02 -0.20 121.20 121.48 1t0g s ILE 33 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.30 1t0g s ILE 33 Cb -0.07 -0.98 0.00 0.00 0.01 0.00 0.00 42.46 41.42 1t0g s ILE 33 CO 0.00 0.12 0.00 0.29 0.00 0.00 0.00 174.94 175.36 1t0g n LYS 34 N 5.00 -0.87 -0.91 2.79 4.76 -1.26 -1.19 118.16 126.48 1t0g n LYS 34 Ca -0.10 0.91 0.00 0.00 -2.87 0.00 0.00 58.31 56.25 1t0g n LYS 34 Cb 0.49 -4.95 0.00 0.00 -1.84 0.00 0.00 35.03 28.72 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 -1.42 0.61 3.67 0.72 0.00 -1.26 -5.01 105.19 102.49 1t0g n GLY 35 Ca -0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.09 4.13 -0.23 1.61 0.52 -0.33 -0.56 118.95 124.01 1t0g s ARG 36 Ca 0.00 0.00 -0.17 0.00 -0.52 0.00 0.00 55.73 55.04 1t0g s ARG 36 Cb 0.00 -3.54 -0.03 0.00 0.52 0.00 0.00 34.95 31.90 1t0g s ARG 36 CO 0.00 0.01 0.45 0.08 0.02 0.00 0.00 175.30 175.86 1t0g s VAL 37 N 1.19 5.14 -0.07 3.52 1.01 0.19 -0.80 120.40 130.58 1t0g s VAL 37 Ca 0.14 0.78 -0.01 0.00 0.00 0.00 0.00 61.98 62.89 1t0g s VAL 37 Cb -0.14 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1t0g s VAL 37 CO 0.06 0.18 0.00 -0.36 0.00 0.00 0.00 175.10 174.99 1t0g s PHE 38 N 1.75 3.15 -0.36 5.22 0.40 -0.23 0.21 117.98 128.13 1t0g s PHE 38 Ca 0.20 0.18 -0.25 0.00 -0.60 0.00 0.00 56.93 56.46 1t0g s PHE 38 Cb -0.15 -1.77 0.01 0.00 0.51 0.00 0.00 43.02 41.62 1t0g s PHE 38 CO 0.09 0.47 0.88 0.34 0.70 0.00 0.00 175.22 177.71 1t0g s ASP 39 N -1.01 6.66 -0.23 1.36 -1.08 -0.62 -2.43 116.67 119.31 1t0g s ASP 39 Ca 0.15 0.56 0.13 0.00 -0.52 0.00 0.00 52.55 52.87 1t0g s ASP 39 Cb -0.11 -2.45 0.49 0.00 -1.46 0.00 0.00 42.92 39.39 1t0g s ASP 39 CO 0.04 -0.80 1.41 1.33 0.52 0.00 0.00 175.17 177.67 1t0g n VAL 40 N 5.87 2.38 0.26 1.11 0.24 -0.44 -4.49 118.33 123.26 1t0g n VAL 40 Ca 0.06 -2.41 0.14 0.00 -2.04 0.00 0.00 64.34 60.09 1t0g n VAL 40 Cb 0.48 -0.29 0.68 0.00 -1.47 0.00 0.00 33.84 33.24 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 1.16 0.36 0.04 3.34 2.02 -1.86 -2.25 112.91 115.72 1t0g h THR 41 Ca 0.11 -0.66 -0.00 0.00 0.77 0.00 0.00 66.41 66.63 1t0g h THR 41 Cb 1.49 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 69.38 1t0g h THR 41 CO 0.27 0.11 -0.02 0.71 0.37 0.00 0.00 175.52 176.96 1t0g h THR 42 N 0.00 1.30 -0.73 3.16 1.35 -1.91 -3.21 112.91 112.87 1t0g h THR 42 Ca -0.00 -1.14 -0.40 0.00 -0.55 0.00 0.00 66.41 64.32 1t0g h THR 42 Cb 0.48 2.05 -0.15 0.00 -1.73 0.00 0.00 68.15 68.80 1t0g h THR 42 CO 0.01 0.29 0.33 0.61 -0.25 0.00 0.00 175.52 176.51 1t0g n GLY 43 N 0.26 4.12 0.32 5.82 0.00 -0.87 -4.58 105.19 110.25 1t0g n GLY 43 Ca -0.09 -1.50 0.01 0.00 0.00 0.00 0.00 46.02 44.44 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 2.38 0.80 -0.01 1.61 3.64 -1.49 -0.52 116.57 122.97 1t0g h LYS 44 Ca 0.33 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1t0g h LYS 44 Cb 0.86 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1t0g h LYS 44 CO 0.77 0.59 0.05 0.77 -2.27 0.00 0.00 179.45 179.35 1t0g h SER 45 N 0.81 0.00 0.09 4.20 0.02 -1.89 0.16 113.55 116.94 1t0g h SER 45 Ca 0.21 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.81 1t0g h SER 45 Cb 0.02 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1t0g h SER 45 CO -0.03 0.00 -1.94 0.49 -1.14 0.00 0.00 176.83 174.20 1t0g n PHE 46 N -3.29 1.06 -0.08 3.45 3.72 -0.24 -4.06 117.46 118.02 1t0g n PHE 46 Ca -0.03 0.26 -0.15 0.00 -0.05 0.00 0.00 57.45 57.49 1t0g n PHE 46 Cb 0.12 -1.13 -0.05 0.00 -0.94 0.00 0.00 39.48 37.48 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 -3.65 0.00 0.00 1.38 4.02 -0.99 -1.12 117.16 116.80 1t0g n TYR 47 Ca -0.34 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.55 1t0g n TYR 47 Cb 0.97 -0.55 0.00 0.00 -0.02 0.00 0.00 39.34 39.74 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 1.91 -2.87 0.72 2.72 0.00 0.52 -3.37 105.19 104.82 1t0g n GLY 48 Ca -0.27 0.29 0.07 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.12 2.10 0.00 1.61 7.64 -1.24 -3.31 113.62 118.30 1t0g n SER 49 Ca 0.00 -1.95 0.00 0.00 1.01 0.00 0.00 58.87 57.93 1t0g n SER 49 Cb 0.00 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 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 1.15 0.84 0.00 0.23 0.00 -1.22 -4.98 105.19 101.22 1t0g n GLY 50 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 -0.69 0.18 -0.02 0.00 -1.19 -4.86 105.19 98.60 1t0g n GLY 51 Ca 0.00 -1.68 0.04 0.00 0.00 0.00 0.00 46.02 44.38 1t0g n GLY 51 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1t0g h ASP 52 N 0.00 0.00 -0.51 1.61 3.58 -1.74 -2.67 116.42 116.69 1t0g h ASP 52 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1t0g h ASP 52 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1t0g h ASP 52 CO 0.00 0.43 0.00 -1.22 -2.88 0.00 0.00 179.24 175.57 1t0g n TYR 53 N -3.66 1.72 0.32 0.28 4.01 -0.28 -4.50 117.16 115.04 1t0g n TYR 53 Ca -0.01 -0.75 0.18 0.00 -0.16 0.00 0.00 57.90 57.17 1t0g n TYR 53 Cb 0.52 -0.43 1.05 0.00 -0.31 0.00 0.00 39.34 40.17 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 3.46 0.00 0.09 7.72 0.87 -1.16 -1.27 113.55 123.25 1t0g h SER 54 Ca 0.00 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 1t0g h SER 54 Cb 1.77 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.72 1t0g h SER 54 CO 0.39 0.00 -0.30 0.24 -0.53 0.00 0.00 176.83 176.64 1t0g h MET 55 N 0.00 0.33 0.00 2.24 2.86 -1.84 -2.50 114.93 116.01 1t0g h MET 55 Ca -0.00 -0.13 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 1t0g h MET 55 Cb 0.00 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1t0g h MET 55 CO 0.00 0.60 -0.20 0.74 1.06 0.00 0.00 176.91 179.10 1t0g h PHE 56 N 0.29 0.00 -2.86 -0.22 -1.00 -1.59 -3.44 116.94 108.12 1t0g h PHE 56 Ca 0.04 0.00 -0.53 0.00 2.81 0.00 0.00 57.97 60.29 1t0g h PHE 56 Cb 0.67 0.00 0.03 0.00 3.61 0.00 0.00 35.95 40.26 1t0g h PHE 56 CO 0.02 0.20 0.85 0.00 -1.61 0.00 0.00 178.31 177.77 1t0g s ALA 57 N -3.33 3.70 -0.19 2.45 0.00 -0.94 -2.80 121.76 120.63 1t0g s ALA 57 Ca 0.03 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.24 1t0g s ALA 57 Cb 0.08 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1t0g s ALA 57 CO 0.66 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 176.04 1t0g n GLY 58 N 3.71 0.52 3.32 0.00 0.00 0.96 -4.73 105.19 108.98 1t0g n GLY 58 Ca 0.13 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 1t0g n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t0g s LYS 59 N -1.19 1.14 -0.15 1.61 -2.85 -1.12 -2.04 119.74 115.13 1t0g s LYS 59 Ca 0.00 -1.22 -0.25 0.00 -1.00 0.00 0.00 55.97 53.50 1t0g s LYS 59 Cb 0.00 0.36 -0.02 0.00 -2.06 0.00 0.00 37.83 36.11 1t0g s LYS 59 CO 0.00 -0.41 0.83 0.34 0.10 0.00 0.00 175.35 176.22 1t0g s ASP 60 N -2.98 6.99 -0.18 0.03 -1.08 -1.26 -1.63 116.67 116.55 1t0g s ASP 60 Ca 0.19 1.21 0.16 0.00 -0.52 0.00 0.00 52.55 53.58 1t0g s ASP 60 Cb 0.04 -2.46 0.45 0.00 -1.46 0.00 0.00 42.92 39.48 1t0g s ASP 60 CO 0.01 -0.37 1.33 0.00 0.52 0.00 0.00 175.17 176.66 1t0g n ALA 61 N 5.04 3.02 -0.35 3.66 0.00 0.72 -2.50 120.51 130.09 1t0g n ALA 61 Ca 0.04 -2.61 -0.01 0.00 0.00 0.00 0.00 53.44 50.86 1t0g n ALA 61 Cb 0.49 -0.59 0.12 0.00 0.00 0.00 0.00 19.45 19.47 1t0g n ALA 61 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1t0g h SER 62 N 1.06 1.05 0.02 0.00 4.64 -1.65 -0.09 113.55 118.57 1t0g h SER 62 Ca 0.04 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.25 1t0g h SER 62 Cb 1.32 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1t0g h SER 62 CO 0.17 0.73 -0.27 -0.09 -0.87 0.00 0.00 176.83 176.50 1t0g h ARG 63 N 1.22 0.39 -0.15 4.77 2.43 -1.17 -2.39 114.38 119.48 1t0g h ARG 63 Ca 0.37 -0.15 -0.12 0.00 -0.81 0.00 0.00 59.98 59.27 1t0g h ARG 63 Cb -0.04 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1t0g h ARG 63 CO -0.11 0.63 -0.43 0.00 -1.51 0.00 0.00 179.97 178.55 1t0g h ALA 64 N 1.37 0.98 -0.37 2.80 0.00 -0.29 0.55 119.26 124.29 1t0g h ALA 64 Ca 0.05 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1t0g h ALA 64 Cb 0.66 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1t0g h ALA 64 CO 0.05 0.63 0.03 -0.07 0.00 0.00 0.00 179.25 179.89 1t0g h LEU 65 N 0.30 0.61 0.04 0.00 3.38 -0.86 0.25 115.31 119.02 1t0g h LEU 65 Ca 0.02 -0.28 -0.28 0.00 0.09 0.00 0.00 57.88 57.43 1t0g h LEU 65 Cb 0.89 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 41.50 1t0g h LEU 65 CO 0.07 0.74 -1.14 1.23 0.09 0.00 0.00 178.44 179.44 1t0g h GLY 66 N 0.46 0.70 1.95 0.83 0.00 -0.89 -3.25 103.07 102.86 1t0g h GLY 66 Ca 0.11 -1.34 -0.20 0.00 0.00 0.00 0.00 47.33 45.90 1t0g h GLY 66 CO 0.01 1.18 -0.93 0.50 0.00 0.00 0.00 176.54 177.30 1t0g h LYS 67 N 0.31 0.04 -4.51 4.80 1.79 -0.97 -3.42 116.57 114.61 1t0g h LYS 67 Ca -0.15 -0.06 -0.14 0.00 -2.18 0.00 0.00 60.65 58.12 1t0g h LYS 67 Cb 1.80 0.02 0.11 0.00 -1.58 0.00 0.00 32.23 32.58 1t0g h LYS 67 CO 0.22 0.94 -0.48 -1.33 -1.08 0.00 0.00 179.45 177.71 1t0g n MET 68 N -3.48 -1.34 -3.88 3.15 2.81 0.80 -5.04 117.12 110.14 1t0g n MET 68 Ca -0.01 0.59 -0.16 0.00 -1.81 0.00 0.00 57.70 56.31 1t0g n MET 68 Cb 0.87 -4.18 -0.16 0.00 -0.71 0.00 0.00 33.22 29.04 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 -3.18 0.29 0.00 7.83 0.01 -0.73 -5.01 113.70 112.91 1t0g s SER 69 Ca 0.26 -0.00 0.23 0.00 1.31 0.00 0.00 55.95 57.74 1t0g s SER 69 Cb -0.03 -0.17 0.09 0.00 0.21 0.00 0.00 66.02 66.12 1t0g s SER 69 CO 0.46 -0.11 1.14 0.29 0.41 0.00 0.00 173.24 175.43 1t0g n LYS 70 N 4.13 0.64 -2.06 12.44 5.02 -1.26 -4.61 118.16 132.46 1t0g n LYS 70 Ca -0.27 -0.50 -0.41 0.00 -2.02 0.00 0.00 58.31 55.11 1t0g n LYS 70 Cb 0.50 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 34.00 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 -2.70 6.71 0.55 4.39 4.22 -1.26 -4.86 114.94 121.99 1t0g s ASN 71 Ca 0.15 2.61 0.24 0.00 -2.14 0.00 0.00 52.86 53.72 1t0g s ASN 71 Cb 0.18 -2.62 1.49 0.00 1.28 0.00 0.00 41.25 41.58 1t0g s ASN 71 CO 0.67 -0.66 2.12 -0.33 -2.04 0.00 0.00 177.10 176.86 1t0g h GLU 72 N 5.10 0.00 -0.29 3.55 5.08 -1.93 -0.16 114.58 125.93 1t0g h GLU 72 Ca -0.46 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 57.96 1t0g h GLU 72 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1t0g h GLU 72 CO 0.78 0.00 0.20 0.93 -1.00 0.00 0.00 179.01 179.92 1t0g h GLU 73 N 0.00 0.13 -0.02 2.33 5.08 -1.97 -2.49 114.58 117.65 1t0g h GLU 73 Ca 0.07 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1t0g h GLU 73 Cb 0.33 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1t0g h GLU 73 CO -0.00 0.09 -0.01 -0.25 -1.00 0.00 0.00 179.01 177.84 1t0g n ASP 74 N -4.48 2.20 -4.47 1.42 8.00 -0.09 -4.82 116.55 114.32 1t0g n ASP 74 Ca 0.03 -1.60 -0.43 0.00 0.71 0.00 0.00 54.79 53.50 1t0g n ASP 74 Cb 0.27 0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.34 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 -1.22 4.38 0.02 2.53 1.01 -0.94 -1.74 120.40 124.43 1t0g s VAL 75 Ca 0.17 -0.21 -0.22 0.00 0.00 0.00 0.00 61.98 61.72 1t0g s VAL 75 Cb 0.12 -4.62 0.05 0.00 0.00 0.00 0.00 36.38 31.93 1t0g s VAL 75 CO 0.19 -1.32 0.49 -0.55 0.00 0.00 0.00 175.10 173.90 1t0g s SER 76 N 3.40 -0.40 0.08 3.32 0.15 -1.04 -4.90 113.70 114.31 1t0g s SER 76 Ca 0.24 0.22 0.24 0.00 0.70 0.00 0.00 55.95 57.35 1t0g s SER 76 Cb -0.16 0.45 0.97 0.00 -1.71 0.00 0.00 66.02 65.57 1t0g s SER 76 CO 0.13 -0.63 1.76 -0.81 1.20 0.00 0.00 173.24 174.88 1t0g n PRO 77 N 0.69 0.08 -2.88 5.44 -0.04 -1.22 -0.81 135.00 136.26 1t0g n PRO 77 Ca -0.19 0.16 -0.41 0.00 -0.04 0.00 0.00 63.50 63.02 1t0g n PRO 77 Cb 0.59 -1.61 -0.04 0.00 -0.04 0.00 0.00 33.50 32.39 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 -3.49 7.10 0.00 3.54 0.15 -1.26 -4.81 113.70 114.92 1t0g s SER 78 Ca 0.10 1.33 0.13 0.00 0.70 0.00 0.00 55.95 58.21 1t0g s SER 78 Cb 0.14 -2.48 0.23 0.00 -1.71 0.00 0.00 66.02 62.20 1t0g s SER 78 CO 0.46 -0.27 1.10 0.18 1.20 0.00 0.00 173.24 175.92 1t0g n LEU 79 N 4.36 2.58 -4.41 3.45 4.77 -1.26 -4.44 117.00 122.06 1t0g n LEU 79 Ca 0.03 -1.49 -0.43 0.00 -0.03 0.00 0.00 56.01 54.09 1t0g n LEU 79 Cb 0.50 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1t0g n LEU 79 CO 0.49 0.57 1.69 1.21 -1.33 0.00 0.00 177.39 180.03 1t0g n GLU 80 N 0.72 3.32 -0.25 3.23 2.13 -1.26 -2.45 120.64 126.07 1t0g n GLU 80 Ca 0.11 -3.59 -0.00 0.00 0.66 0.00 0.00 57.16 54.33 1t0g n GLU 80 Cb 0.39 -3.18 -0.00 0.00 0.27 0.00 0.00 31.44 28.92 1t0g n GLU 80 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1t0g n GLY 81 N 4.36 0.23 2.96 8.31 0.00 -1.26 -5.12 105.19 114.67 1t0g n GLY 81 Ca 0.42 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.32 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 1.86 0.00 0.99 1.02 -1.03 -5.04 118.68 116.48 1t0g s LEU 82 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 54.13 54.11 1t0g s LEU 82 Cb 0.00 0.22 0.00 0.00 0.02 0.00 0.00 46.19 46.43 1t0g s LEU 82 CO 0.00 -0.11 0.00 0.35 0.02 0.00 0.00 176.35 176.61 1t0g n THR 83 N 2.61 0.00 -0.32 5.49 -2.24 -1.26 -4.83 114.28 113.73 1t0g n THR 83 Ca -0.16 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.65 1t0g n THR 83 Cb 0.58 -0.73 0.17 0.00 -2.10 0.00 0.00 70.33 68.25 1t0g n THR 83 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1t0g h GLU 84 N 0.00 0.91 -0.44 -0.78 4.81 -1.99 0.13 114.58 117.22 1t0g h GLU 84 Ca 0.00 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1t0g h GLU 84 Cb 0.00 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 1t0g h GLU 84 CO 0.00 0.60 0.21 1.57 -0.73 0.00 0.00 179.01 180.66 1t0g h LYS 85 N 0.94 0.63 -0.53 1.92 2.10 -1.98 0.53 116.57 120.17 1t0g h LYS 85 Ca 0.41 -0.10 -0.11 0.00 -2.00 0.00 0.00 60.65 58.85 1t0g h LYS 85 Cb 0.28 -0.11 -0.02 0.00 -0.90 0.00 0.00 32.23 31.48 1t0g h LYS 85 CO -0.21 0.55 -0.11 0.93 -2.00 0.00 0.00 179.45 178.60 1t0g h GLU 86 N 0.57 1.00 -0.69 0.07 3.07 -1.66 -2.15 114.58 114.79 1t0g h GLU 86 Ca 0.15 -0.37 -0.03 0.00 -0.50 0.00 0.00 59.36 58.60 1t0g h GLU 86 Cb 0.13 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 27.94 1t0g h GLU 86 CO -0.02 1.05 0.30 0.82 -1.40 0.00 0.00 179.01 179.76 1t0g h ILE 87 N 0.89 1.24 -0.90 3.13 2.04 -0.49 -2.63 117.51 120.79 1t0g h ILE 87 Ca 0.14 -0.73 0.20 0.00 1.00 0.00 0.00 64.86 65.47 1t0g h ILE 87 Cb 0.68 0.43 -0.07 0.00 -0.74 0.00 0.00 36.82 37.12 1t0g h ILE 87 CO 0.05 0.29 0.59 0.78 0.00 0.00 0.00 178.15 179.86 1t0g h ASN 88 N 0.98 0.42 -0.08 1.72 -0.26 0.70 0.71 115.58 119.77 1t0g h ASN 88 Ca 0.23 0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 56.00 1t0g h ASN 88 Cb 0.18 -0.04 -0.00 0.00 -1.06 0.00 0.00 38.32 37.40 1t0g h ASN 88 CO -0.02 0.17 0.01 0.74 -1.06 0.00 0.00 177.43 177.27 1t0g h THR 89 N 0.42 1.23 -0.16 2.81 2.02 -1.13 -1.77 112.91 116.32 1t0g h THR 89 Ca 0.47 -0.70 -0.19 0.00 0.77 0.00 0.00 66.41 66.76 1t0g h THR 89 Cb 1.14 1.54 -0.00 0.00 -1.74 0.00 0.00 68.15 69.09 1t0g h THR 89 CO -0.18 0.20 -0.66 0.25 0.37 0.00 0.00 175.52 175.50 1t0g h LEU 90 N -0.11 0.72 -1.58 2.58 5.85 -1.04 -2.63 115.31 119.10 1t0g h LEU 90 Ca 0.02 -0.43 0.17 0.00 0.84 0.00 0.00 57.88 58.49 1t0g h LEU 90 Cb 0.30 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 1t0g h LEU 90 CO 0.00 1.19 0.54 -1.13 -0.34 0.00 0.00 178.44 178.70 1t0g h ASN 91 N 0.45 0.37 0.03 1.25 -0.73 0.42 0.27 115.58 117.64 1t0g h ASN 91 Ca -0.02 0.03 -0.26 0.00 1.87 0.00 0.00 56.30 57.92 1t0g h ASN 91 Cb 1.25 -0.04 0.02 0.00 0.27 0.00 0.00 38.32 39.81 1t0g h ASN 91 CO 0.13 0.18 -1.01 -0.78 -0.37 0.00 0.00 177.43 175.58 1t0g h ASP 92 N 0.39 0.87 -0.47 1.15 3.58 -1.06 -3.29 116.42 117.59 1t0g h ASP 92 Ca 0.41 -0.69 0.00 0.00 0.42 0.00 0.00 57.03 57.17 1t0g h ASP 92 Cb 1.00 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.76 1t0g h ASP 92 CO -0.13 1.49 0.30 -0.50 -2.88 0.00 0.00 179.24 177.52 1t0g h TRP 93 N 0.39 0.61 -0.78 0.28 4.06 -0.24 -1.62 115.95 118.66 1t0g h TRP 93 Ca -0.12 0.01 0.11 0.00 2.06 0.00 0.00 58.89 60.96 1t0g h TRP 93 Cb 1.65 -0.21 -0.08 0.00 -1.00 0.00 0.00 29.16 29.53 1t0g h TRP 93 CO 0.10 0.40 0.40 0.93 -3.56 0.00 0.00 178.44 176.70 1t0g h GLU 94 N 0.65 0.61 0.00 0.49 5.08 -0.92 -0.95 114.58 119.54 1t0g h GLU 94 Ca 0.17 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.40 1t0g h GLU 94 Cb -0.05 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1t0g h GLU 94 CO -0.04 0.40 -0.45 1.15 -1.00 0.00 0.00 179.01 179.08 1t0g h THR 95 N 0.63 1.25 -0.01 1.13 2.02 -1.43 0.41 112.91 116.91 1t0g h THR 95 Ca 0.40 -1.58 -0.19 0.00 0.77 0.00 0.00 66.41 65.81 1t0g h THR 95 Cb 0.48 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 1t0g h THR 95 CO -0.31 0.44 -0.82 0.11 0.37 0.00 0.00 175.52 175.32 1t0g h LYS 96 N 0.00 0.22 0.12 6.66 1.79 -0.89 -1.67 116.57 122.80 1t0g h LYS 96 Ca -0.00 -0.21 -0.19 0.00 -2.18 0.00 0.00 60.65 58.06 1t0g h LYS 96 Cb 0.83 0.06 0.01 0.00 -1.58 0.00 0.00 32.23 31.55 1t0g h LYS 96 CO 0.06 0.92 -0.90 0.74 -1.08 0.00 0.00 179.45 179.18 1t0g h PHE 97 N 0.13 0.47 -0.37 -1.35 -1.00 -1.18 -3.36 116.94 110.28 1t0g h PHE 97 Ca -0.04 -0.34 0.11 0.00 2.81 0.00 0.00 57.97 60.51 1t0g h PHE 97 Cb 1.42 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.94 1t0g h PHE 97 CO 0.03 1.35 0.34 0.93 -1.61 0.00 0.00 178.31 179.35 1t0g h GLU 98 N -0.42 0.00 -0.02 1.51 4.39 0.05 0.78 114.58 120.88 1t0g h GLU 98 Ca -0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1t0g h GLU 98 Cb 1.62 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.27 1t0g h GLU 98 CO 0.11 0.00 -0.32 0.00 -1.16 0.00 0.00 179.01 177.65 1t0g n ALA 99 N -2.44 3.20 0.00 3.43 0.00 -0.65 -4.54 120.51 119.52 1t0g n ALA 99 Ca 0.06 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1t0g n ALA 99 Cb 0.51 -0.89 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 0.12 0.00 -4.23 0.00 4.01 -0.11 -5.06 118.16 112.89 1t0g n LYS 100 Ca 0.11 0.00 -0.36 0.00 -0.51 0.00 0.00 58.31 57.56 1t0g n LYS 100 Cb 0.46 -0.54 -0.08 0.00 -0.51 0.00 0.00 35.03 34.36 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 3.29 0.12 2.13 2.02 0.25 -5.09 117.35 118.15 1t0g s TYR 101 Ca 0.00 0.29 -0.25 0.00 -0.37 0.00 0.00 57.07 56.74 1t0g s TYR 101 Cb 0.00 -1.83 -0.07 0.00 -0.40 0.00 0.00 41.96 39.66 1t0g s TYR 101 CO 0.00 0.55 0.77 -1.25 -1.57 0.00 0.00 175.55 174.05 1t0g s PRO 102 N -0.93 4.54 -0.50 -1.71 0.04 -1.26 -4.29 135.00 130.89 1t0g s PRO 102 Ca 0.14 1.12 -0.28 0.00 0.04 0.00 0.00 61.00 62.02 1t0g s PRO 102 Cb -0.12 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 31.14 1t0g s PRO 102 CO 0.03 0.47 1.44 0.08 0.04 0.00 0.00 177.00 179.05 1t0g s VAL 103 N -0.75 3.81 -2.72 -0.36 1.01 -1.26 -1.60 120.40 118.54 1t0g s VAL 103 Ca 0.37 0.75 0.26 0.00 0.00 0.00 0.00 61.98 63.36 1t0g s VAL 103 Cb -0.22 -4.31 0.37 0.00 0.00 0.00 0.00 36.38 32.22 1t0g s VAL 103 CO 0.25 -0.97 1.49 1.33 0.00 0.00 0.00 175.10 177.20 1t0g n VAL 104 N 6.98 0.04 0.00 2.92 0.24 0.13 -4.96 118.33 123.68 1t0g n VAL 104 Ca 0.15 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1t0g n VAL 104 Cb 0.49 0.98 0.00 0.00 -1.47 0.00 0.00 33.84 33.84 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 1.27 -0.50 3.26 7.63 0.00 -1.15 -0.67 105.19 115.03 1t0g n GLY 105 Ca 0.17 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.94 1.10 -0.08 1.61 1.70 0.22 -0.64 118.95 120.92 1t0g s ARG 106 Ca 0.00 -1.50 0.04 0.00 -0.47 0.00 0.00 55.73 53.80 1t0g s ARG 106 Cb 0.00 -0.52 -0.01 0.00 -0.57 0.00 0.00 34.95 33.85 1t0g s ARG 106 CO 0.00 -0.00 -0.22 0.54 -1.08 0.00 0.00 175.30 174.53 1t0g s VAL 107 N -3.43 2.24 -0.07 4.99 0.11 0.28 -0.38 120.40 124.13 1t0g s VAL 107 Ca 0.20 -0.98 0.02 0.00 -2.93 0.00 0.00 61.98 58.29 1t0g s VAL 107 Cb 0.04 -1.85 -0.02 0.00 -1.53 0.00 0.00 36.38 33.01 1t0g s VAL 107 CO 0.02 0.56 -0.12 0.68 -3.33 0.00 0.00 175.10 172.92 1t0g s VAL 108 N 0.09 3.27 0.00 2.04 -7.23 0.25 -4.75 120.40 114.08 1t0g s VAL 108 Ca -0.10 -0.63 0.00 0.00 -1.81 0.00 0.00 61.98 59.44 1t0g s VAL 108 Cb -0.16 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.46 1t0g s VAL 108 CO 0.06 0.58 0.00 -0.24 -0.31 0.00 0.00 175.10 175.19