#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c0g n GLY 2 N 0.00 -3.32 2.57 3.17 0.00 -1.26 -5.05 105.19 101.30 1c0g n GLY 2 Ca 0.00 -1.34 -0.23 0.00 0.00 0.00 0.00 46.02 44.45 1c0g n GLY 2 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1c0g n SER 3 N -4.01 2.70 -4.62 1.61 7.64 -1.26 -5.09 113.62 110.61 1c0g n SER 3 Ca 0.06 -3.35 -0.40 0.00 1.01 0.00 0.00 58.87 56.18 1c0g n SER 3 Cb 0.25 -0.59 -0.07 0.00 -1.01 0.00 0.00 64.21 62.78 1c0g n SER 3 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1c0g s VAL 4 N -3.45 5.02 0.26 0.44 1.01 -1.26 -5.03 120.40 117.38 1c0g s VAL 4 Ca 0.44 0.95 -0.30 0.00 0.00 0.00 0.00 61.98 63.07 1c0g s VAL 4 Cb 0.31 -3.89 -0.11 0.00 0.00 0.00 0.00 36.38 32.69 1c0g s VAL 4 CO -0.11 0.02 1.55 -0.69 0.00 0.00 0.00 175.10 175.87 1c0g s VAL 5 N 2.43 2.32 -0.82 2.92 1.01 -1.26 -4.90 120.40 122.10 1c0g s VAL 5 Ca 0.23 0.26 0.07 0.00 0.00 0.00 0.00 61.98 62.55 1c0g s VAL 5 Cb -0.15 -3.17 0.10 0.00 0.00 0.00 0.00 36.38 33.15 1c0g s VAL 5 CO 0.09 0.04 0.85 -0.62 0.00 0.00 0.00 175.10 175.46 1c0g n GLU 6 N 2.56 0.79 -1.63 2.72 1.02 -1.26 -4.95 120.64 119.90 1c0g n GLU 6 Ca 0.09 -1.18 -0.49 0.00 -0.02 0.00 0.00 57.16 55.56 1c0g n GLU 6 Cb 0.38 -1.15 -0.05 0.00 -0.02 0.00 0.00 31.44 30.60 1c0g n GLU 6 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1c0g n HIS 7 N 0.34 1.93 -0.01 -0.32 -0.00 -1.26 -4.85 115.22 111.06 1c0g n HIS 7 Ca 0.05 0.44 0.22 0.00 0.46 0.00 0.00 57.72 58.89 1c0g n HIS 7 Cb 0.23 -2.45 0.72 0.00 -0.12 0.00 0.00 29.99 28.37 1c0g n HIS 7 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1c0g h PRO 8 N 5.32 0.00 0.00 1.57 0.11 -1.99 -2.22 132.00 134.79 1c0g h PRO 8 Ca -0.46 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.49 1c0g h PRO 8 Cb 1.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1c0g h PRO 8 CO 0.84 0.00 -0.74 0.93 -0.21 0.00 0.00 178.00 178.82 1c0g h GLU 9 N 0.00 0.00 -0.34 1.05 4.39 -1.92 -2.79 114.58 114.97 1c0g h GLU 9 Ca 0.27 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.90 1c0g h GLU 9 Cb 1.17 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.80 1c0g h GLU 9 CO -0.00 0.74 -0.06 0.74 -1.16 0.00 0.00 179.01 179.26 1c0g h PHE 10 N 0.00 0.59 0.00 4.33 -1.00 -1.77 -1.64 116.94 117.45 1c0g h PHE 10 Ca -0.01 -0.08 -0.02 0.00 2.81 0.00 0.00 57.97 60.67 1c0g h PHE 10 Cb 1.32 -0.16 -0.00 0.00 3.61 0.00 0.00 35.95 40.71 1c0g h PHE 10 CO 0.00 0.61 -0.10 -0.07 -1.61 0.00 0.00 178.31 177.14 1c0g h LEU 11 N 0.52 0.00 0.00 1.54 3.38 -1.52 -2.61 115.31 116.62 1c0g h LEU 11 Ca 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1c0g h LEU 11 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1c0g h LEU 11 CO 0.02 0.10 -1.05 0.11 0.09 0.00 0.00 178.44 177.70 1c0g h LYS 12 N 0.00 0.00 -6.72 1.13 1.57 -1.29 -3.47 116.57 107.80 1c0g h LYS 12 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1c0g h LYS 12 Cb 0.22 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.59 1c0g h LYS 12 CO 0.01 0.08 0.84 0.00 -0.57 0.00 0.00 179.45 179.82 1c0g s ALA 13 N -3.24 3.72 -1.67 3.86 0.00 -0.82 -3.34 121.76 120.27 1c0g s ALA 13 Ca -0.01 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1c0g s ALA 13 Cb 0.09 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1c0g s ALA 13 CO 0.79 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 176.13 1c0g n GLY 14 N 2.75 0.78 0.15 0.00 0.00 -1.26 -4.86 105.19 102.76 1c0g n GLY 14 Ca 0.10 -0.18 0.03 0.00 0.00 0.00 0.00 46.02 45.97 1c0g n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1c0g h LYS 15 N 0.00 0.00 -3.52 1.61 1.79 -1.90 -3.46 116.57 111.09 1c0g h LYS 15 Ca -0.38 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 57.99 1c0g h LYS 15 Cb 1.20 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.69 1c0g h LYS 15 CO 0.50 0.47 -0.34 -1.83 -1.08 0.00 0.00 179.45 177.17 1c0g s GLU 16 N -3.14 0.76 0.27 3.15 -1.05 -1.26 -5.12 118.70 112.31 1c0g s GLU 16 Ca 0.03 -0.65 -0.30 0.00 -0.15 0.00 0.00 54.97 53.90 1c0g s GLU 16 Cb 0.08 0.32 -0.13 0.00 -0.44 0.00 0.00 34.13 33.96 1c0g s GLU 16 CO 0.73 -0.23 1.26 -2.30 0.95 0.00 0.00 175.26 175.67 1c0g n PRO 17 N 0.51 1.83 -2.77 -4.83 -0.02 -1.26 -4.79 135.00 123.66 1c0g n PRO 17 Ca -0.18 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1c0g n PRO 17 Cb 0.60 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1c0g n PRO 17 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1c0g n GLY 18 N 1.54 -0.18 3.18 -1.23 0.00 -0.30 -4.97 105.19 103.23 1c0g n GLY 18 Ca 0.09 -1.37 -0.27 0.00 0.00 0.00 0.00 46.02 44.47 1c0g n GLY 18 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1c0g s LEU 19 N 0.00 1.98 -0.03 0.99 2.96 -1.26 -1.26 118.68 122.05 1c0g s LEU 19 Ca 0.00 -0.39 0.04 0.00 -0.22 0.00 0.00 54.13 53.56 1c0g s LEU 19 Cb 0.00 -1.07 -0.00 0.00 0.50 0.00 0.00 46.19 45.61 1c0g s LEU 19 CO 0.00 0.20 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.96 1c0g s GLN 20 N -0.14 1.62 -0.04 1.98 -0.21 0.04 -5.00 119.66 117.91 1c0g s GLN 20 Ca -0.01 -0.58 0.03 0.00 0.02 0.00 0.00 55.36 54.82 1c0g s GLN 20 Cb -0.11 -1.45 0.01 0.00 1.00 0.00 0.00 33.01 32.46 1c0g s GLN 20 CO 0.02 0.26 -0.10 0.42 -2.12 0.00 0.00 175.29 173.76 1c0g s ILE 21 N -0.05 0.91 0.13 1.08 1.01 -1.26 -0.90 121.20 122.12 1c0g s ILE 21 Ca -0.01 -0.41 0.07 0.00 0.00 0.00 0.00 60.65 60.30 1c0g s ILE 21 Cb -0.10 -0.82 -0.04 0.00 0.01 0.00 0.00 42.46 41.51 1c0g s ILE 21 CO 0.01 0.29 -0.16 0.26 0.00 0.00 0.00 174.94 175.34 1c0g s TRP 22 N 0.32 1.56 -0.00 3.97 0.51 -0.24 -0.99 118.94 124.07 1c0g s TRP 22 Ca -0.06 -0.51 0.06 0.00 -2.12 0.00 0.00 56.10 53.46 1c0g s TRP 22 Cb -0.11 -0.81 -0.03 0.00 -0.81 0.00 0.00 33.47 31.72 1c0g s TRP 22 CO 0.01 0.21 -0.17 0.50 -0.51 0.00 0.00 176.95 176.99 1c0g s ARG 23 N -2.62 2.27 0.01 4.98 3.52 0.77 -0.92 118.95 126.96 1c0g s ARG 23 Ca 0.11 -0.85 -0.30 0.00 -0.13 0.00 0.00 55.73 54.55 1c0g s ARG 23 Cb -0.06 -2.26 -0.05 0.00 -1.56 0.00 0.00 34.95 31.02 1c0g s ARG 23 CO 0.04 0.58 1.24 0.08 -0.81 0.00 0.00 175.30 176.43 1c0g s VAL 24 N -0.82 4.04 -0.19 7.11 1.01 -0.27 -1.12 120.40 130.15 1c0g s VAL 24 Ca 0.13 1.42 -0.04 0.00 0.00 0.00 0.00 61.98 63.50 1c0g s VAL 24 Cb -0.11 -3.91 0.06 0.00 0.00 0.00 0.00 36.38 32.42 1c0g s VAL 24 CO 0.03 0.05 0.06 -1.61 0.00 0.00 0.00 175.10 173.63 1c0g s GLU 25 N 1.71 0.41 -1.14 2.72 2.02 -0.29 -4.70 118.70 119.43 1c0g s GLU 25 Ca 0.59 -0.33 -0.25 0.00 0.02 0.00 0.00 54.97 55.00 1c0g s GLU 25 Cb -0.28 -1.96 0.02 0.00 0.10 0.00 0.00 34.13 32.01 1c0g s GLU 25 CO 0.26 -0.68 0.73 1.63 0.02 0.00 0.00 175.26 177.21 1c0g n LYS 26 N 5.14 -0.79 -1.30 1.61 5.02 -1.26 -1.73 118.16 124.86 1c0g n LYS 26 Ca -0.08 0.33 -0.10 0.00 -2.02 0.00 0.00 58.31 56.44 1c0g n LYS 26 Cb 0.47 -3.27 -0.04 0.00 -0.02 0.00 0.00 35.03 32.17 1c0g n LYS 26 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1c0g n PHE 27 N -4.40 0.00 -4.33 2.13 3.01 -1.26 -4.90 117.46 107.71 1c0g n PHE 27 Ca -0.12 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.16 1c0g n PHE 27 Cb 0.58 -2.20 -0.10 0.00 -0.01 0.00 0.00 39.48 37.75 1c0g n PHE 27 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1c0g s ASP 28 N -2.61 2.48 -0.37 4.37 2.15 -0.70 -5.13 116.67 116.86 1c0g s ASP 28 Ca 0.00 -1.01 -0.10 0.00 0.43 0.00 0.00 52.55 51.87 1c0g s ASP 28 Cb 0.00 -0.12 0.03 0.00 -0.30 0.00 0.00 42.92 42.53 1c0g s ASP 28 CO 0.00 -0.18 0.19 -0.22 -0.17 0.00 0.00 175.17 174.79 1c0g s LEU 29 N -3.26 4.65 -0.13 -1.34 2.96 -1.26 -1.14 118.68 119.16 1c0g s LEU 29 Ca 0.21 -1.00 -0.00 0.00 -0.22 0.00 0.00 54.13 53.12 1c0g s LEU 29 Cb -0.01 -2.00 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 1c0g s LEU 29 CO 0.06 -0.37 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.90 1c0g s VAL 30 N 1.54 3.06 0.35 1.68 1.01 -0.28 -4.93 120.40 122.84 1c0g s VAL 30 Ca 0.02 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 1c0g s VAL 30 Cb -0.19 -2.29 -0.11 0.00 0.00 0.00 0.00 36.38 33.79 1c0g s VAL 30 CO 0.06 0.52 1.54 -0.81 0.00 0.00 0.00 175.10 176.41 1c0g n PRO 31 N 3.57 2.72 -3.08 2.72 -0.04 -1.26 -0.16 135.00 139.47 1c0g n PRO 31 Ca -0.18 0.96 -0.39 0.00 -0.04 0.00 0.00 63.50 63.84 1c0g n PRO 31 Cb 0.53 -2.72 -0.06 0.00 -0.04 0.00 0.00 33.50 31.21 1c0g n PRO 31 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1c0g s VAL 32 N -0.74 4.69 0.14 0.52 1.01 -0.16 -4.73 120.40 121.12 1c0g s VAL 32 Ca 0.57 1.49 -0.34 0.00 0.00 0.00 0.00 61.98 63.70 1c0g s VAL 32 Cb -0.48 -4.04 -0.14 0.00 0.00 0.00 0.00 36.38 31.72 1c0g s VAL 32 CO 0.59 0.44 1.58 -2.65 0.00 0.00 0.00 175.10 175.06 1c0g n PRO 33 N 2.34 2.08 0.33 2.72 -0.02 -1.26 -4.83 135.00 136.36 1c0g n PRO 33 Ca -0.05 0.75 0.21 0.00 -2.02 0.00 0.00 63.50 62.39 1c0g n PRO 33 Cb 0.50 -2.52 1.12 0.00 -0.02 0.00 0.00 33.50 32.59 1c0g n PRO 33 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1c0g h THR 34 N 3.72 0.09 0.00 3.45 1.35 -1.96 0.40 112.91 119.96 1c0g h THR 34 Ca -0.45 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1c0g h THR 34 Cb 1.26 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 1c0g h THR 34 CO 0.88 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.16 1c0g n LEU 36 N -1.55 2.82 -4.68 0.00 7.99 0.13 -5.00 117.00 116.72 1c0g n LEU 36 Ca 0.05 -1.41 -0.45 0.00 -0.01 0.00 0.00 56.01 54.19 1c0g n LEU 36 Cb 0.25 -0.15 -0.04 0.00 -0.11 0.00 0.00 43.42 43.37 1c0g n LEU 36 CO 0.20 0.60 1.24 -1.22 -1.51 0.00 0.00 177.39 176.70 1c0g n TYR 37 N 0.99 2.39 0.00 -1.77 4.02 -1.06 -2.30 117.16 119.43 1c0g n TYR 37 Ca 0.13 0.21 0.00 0.00 -0.01 0.00 0.00 57.90 58.23 1c0g n TYR 37 Cb 0.46 -2.58 0.00 0.00 -0.02 0.00 0.00 39.34 37.21 1c0g n TYR 37 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1c0g n GLY 38 N 3.55 2.57 3.48 2.72 0.00 -1.26 -5.03 105.19 111.21 1c0g n GLY 38 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1c0g n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1c0g s ASP 39 N -1.34 6.12 -0.17 1.61 1.01 -0.97 -0.33 116.67 122.60 1c0g s ASP 39 Ca 0.00 -0.77 -0.04 0.00 0.71 0.00 0.00 52.55 52.45 1c0g s ASP 39 Cb 0.00 -2.17 -0.03 0.00 1.01 0.00 0.00 42.92 41.73 1c0g s ASP 39 CO 0.00 -0.45 -0.02 -0.36 0.21 0.00 0.00 175.17 174.55 1c0g s PHE 40 N 1.79 3.04 0.08 4.23 0.40 -0.01 -4.96 117.98 122.56 1c0g s PHE 40 Ca 0.07 -0.31 -0.31 0.00 -0.60 0.00 0.00 56.93 55.78 1c0g s PHE 40 Cb -0.18 -1.99 -0.07 0.00 0.51 0.00 0.00 43.02 41.29 1c0g s PHE 40 CO 0.11 -0.06 1.42 -0.06 0.70 0.00 0.00 175.22 177.32 1c0g s PHE 41 N 0.48 3.07 -0.67 0.36 0.40 -1.26 -1.12 117.98 119.25 1c0g s PHE 41 Ca -0.03 0.86 0.24 0.00 -0.60 0.00 0.00 56.93 57.41 1c0g s PHE 41 Cb -0.14 -3.70 0.91 0.00 0.51 0.00 0.00 43.02 40.59 1c0g s PHE 41 CO 0.03 -2.53 1.73 0.25 0.70 0.00 0.00 175.22 175.39 1c0g n THR 42 N 4.20 0.68 0.65 0.64 -2.24 -0.08 -1.94 114.28 116.18 1c0g n THR 42 Ca 0.12 0.01 0.07 0.00 -2.27 0.00 0.00 64.05 61.99 1c0g n THR 42 Cb 0.42 -0.87 0.21 0.00 -2.10 0.00 0.00 70.33 67.99 1c0g n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1c0g n GLY 43 N 0.64 1.00 3.51 3.38 0.00 -0.40 -0.27 105.19 113.04 1c0g n GLY 43 Ca 0.04 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 1c0g n GLY 43 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1c0g s ASP 44 N -1.05 2.77 0.07 1.61 -0.00 -0.82 -3.53 116.67 115.72 1c0g s ASP 44 Ca 0.30 -1.49 0.07 0.00 -0.00 0.00 0.00 52.55 51.43 1c0g s ASP 44 Cb 0.15 0.11 -0.03 0.00 -0.00 0.00 0.00 42.92 43.16 1c0g s ASP 44 CO 0.20 -0.71 -0.19 0.00 -0.00 0.00 0.00 175.17 174.48 1c0g s ALA 45 N -3.19 1.59 0.10 5.23 0.00 -1.26 -1.32 121.76 122.91 1c0g s ALA 45 Ca 0.30 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 51.18 1c0g s ALA 45 Cb 0.06 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 1c0g s ALA 45 CO 0.14 0.32 -0.04 0.71 0.00 0.00 0.00 175.76 176.89 1c0g s TYR 46 N -1.03 0.84 -0.05 0.00 1.51 -0.37 -1.12 117.35 117.13 1c0g s TYR 46 Ca 0.05 -0.98 0.04 0.00 -1.01 0.00 0.00 57.07 55.16 1c0g s TYR 46 Cb -0.09 -0.50 -0.00 0.00 -0.11 0.00 0.00 41.96 41.25 1c0g s TYR 46 CO 0.03 -0.23 -0.17 0.08 -1.11 0.00 0.00 175.55 174.14 1c0g s VAL 47 N -3.72 1.46 -0.08 0.71 1.01 -0.10 -0.75 120.40 118.93 1c0g s VAL 47 Ca 0.13 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1c0g s VAL 47 Cb 0.06 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 35.19 1c0g s VAL 47 CO -0.05 0.42 -0.14 -0.63 0.00 0.00 0.00 175.10 174.71 1c0g s ILE 48 N 0.18 1.31 -0.18 2.22 1.09 0.55 -1.08 121.20 125.29 1c0g s ILE 48 Ca -0.07 -0.56 -0.01 0.00 -1.10 0.00 0.00 60.65 58.90 1c0g s ILE 48 Cb -0.13 -1.19 -0.01 0.00 -1.06 0.00 0.00 42.46 40.07 1c0g s ILE 48 CO 0.03 0.40 -0.11 -0.22 -0.10 0.00 0.00 174.94 174.94 1c0g s LEU 49 N 0.78 2.67 -0.25 2.97 2.96 -0.08 -0.61 118.68 127.13 1c0g s LEU 49 Ca -0.12 -0.42 -0.06 0.00 -0.22 0.00 0.00 54.13 53.31 1c0g s LEU 49 Cb -0.16 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 1c0g s LEU 49 CO 0.02 0.06 0.04 -0.75 -1.32 0.00 0.00 176.35 174.40 1c0g s LYS 50 N 1.01 3.47 -0.23 1.98 2.47 -0.34 -0.78 119.74 127.31 1c0g s LYS 50 Ca -0.01 -0.59 -0.06 0.00 -1.56 0.00 0.00 55.97 53.75 1c0g s LYS 50 Cb -0.15 -3.26 -0.02 0.00 -1.46 0.00 0.00 37.83 32.94 1c0g s LYS 50 CO -0.02 -0.25 0.03 0.99 0.16 0.00 0.00 175.35 176.27 1c0g s THR 51 N 1.56 4.07 -0.10 3.43 2.01 -0.39 -1.43 115.64 124.79 1c0g s THR 51 Ca 0.05 -0.26 0.01 0.00 0.31 0.00 0.00 61.69 61.81 1c0g s THR 51 Cb -0.15 -2.88 -0.02 0.00 0.01 0.00 0.00 72.50 69.46 1c0g s THR 51 CO 0.02 0.38 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.50 1c0g s VAL 52 N 1.41 3.09 0.07 3.82 1.01 -0.13 -1.15 120.40 128.52 1c0g s VAL 52 Ca 0.05 -0.68 -0.31 0.00 0.00 0.00 0.00 61.98 61.05 1c0g s VAL 52 Cb -0.15 -2.26 -0.08 0.00 0.00 0.00 0.00 36.38 33.90 1c0g s VAL 52 CO 0.02 0.55 1.53 -1.58 0.00 0.00 0.00 175.10 175.62 1c0g s GLN 53 N -0.13 4.24 0.03 2.72 2.00 -1.26 -0.82 119.66 126.44 1c0g s GLN 53 Ca -0.01 2.19 -0.08 0.00 -2.00 0.00 0.00 55.36 55.46 1c0g s GLN 53 Cb -0.14 -3.48 -0.05 0.00 0.80 0.00 0.00 33.01 30.14 1c0g s GLN 53 CO 0.03 -0.62 0.31 -0.51 -0.50 0.00 0.00 175.29 174.00 1c0g s LEU 54 N 2.14 4.37 0.48 3.68 1.43 -0.50 -4.91 118.68 125.37 1c0g s LEU 54 Ca 0.69 0.63 0.37 0.00 -1.03 0.00 0.00 54.13 54.79 1c0g s LEU 54 Cb -0.37 -2.76 1.54 0.00 0.03 0.00 0.00 46.19 44.63 1c0g s LEU 54 CO 0.30 0.23 1.61 -0.09 0.23 0.00 0.00 176.35 178.63 1c0g h ARG 55 N 3.92 0.04 0.00 1.70 2.43 -1.95 0.80 114.38 121.31 1c0g h ARG 55 Ca -0.50 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1c0g h ARG 55 Cb 1.20 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1c0g h ARG 55 CO 0.66 0.03 0.00 0.27 -1.51 0.00 0.00 179.97 179.42 1c0g n ASN 56 N -4.45 0.33 0.00 -3.80 0.23 -1.26 -4.87 115.26 101.44 1c0g n ASN 56 Ca 0.39 0.59 0.00 0.00 -0.53 0.00 0.00 54.58 55.04 1c0g n ASN 56 Cb 1.62 -0.66 0.00 0.00 -2.08 0.00 0.00 39.78 38.66 1c0g n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1c0g n GLY 57 N -0.24 2.99 3.93 4.83 0.00 0.27 -5.04 105.19 111.93 1c0g n GLY 57 Ca 0.02 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 1c0g n GLY 57 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1c0g s ASN 58 N 0.77 4.79 -0.04 1.61 3.84 -1.26 -4.80 114.94 119.85 1c0g s ASN 58 Ca 0.00 0.49 0.04 0.00 0.21 0.00 0.00 52.86 53.60 1c0g s ASN 58 Cb 0.00 -1.12 -0.03 0.00 -0.55 0.00 0.00 41.25 39.55 1c0g s ASN 58 CO 0.00 -1.63 -0.15 -0.76 -2.79 0.00 0.00 177.10 171.78 1c0g s LEU 59 N -5.28 2.73 0.04 3.21 1.43 -1.26 -1.41 118.68 118.14 1c0g s LEU 59 Ca 0.60 -0.21 -0.16 0.00 -1.03 0.00 0.00 54.13 53.33 1c0g s LEU 59 Cb -0.11 -1.56 -0.06 0.00 0.03 0.00 0.00 46.19 44.50 1c0g s LEU 59 CO 0.45 0.34 0.48 -1.58 0.23 0.00 0.00 176.35 176.27 1c0g s GLN 60 N -0.80 4.01 -0.06 1.70 0.74 0.00 -4.93 119.66 120.33 1c0g s GLN 60 Ca 0.12 0.52 0.03 0.00 0.05 0.00 0.00 55.36 56.08 1c0g s GLN 60 Cb -0.11 -3.18 0.01 0.00 1.10 0.00 0.00 33.01 30.83 1c0g s GLN 60 CO 0.01 0.65 -0.14 0.71 -0.55 0.00 0.00 175.29 175.96 1c0g s TYR 61 N -1.15 1.58 -0.14 1.67 1.51 -1.26 -0.96 117.35 118.60 1c0g s TYR 61 Ca 0.27 -0.53 0.01 0.00 -1.01 0.00 0.00 57.07 55.81 1c0g s TYR 61 Cb -0.17 -1.11 0.02 0.00 -0.11 0.00 0.00 41.96 40.59 1c0g s TYR 61 CO 0.16 -0.23 -0.14 -0.51 -1.11 0.00 0.00 175.55 173.71 1c0g s ASP 62 N 0.39 2.61 -0.18 2.29 1.01 -0.51 -1.49 116.67 120.78 1c0g s ASP 62 Ca -0.10 -0.47 -0.06 0.00 0.71 0.00 0.00 52.55 52.63 1c0g s ASP 62 Cb -0.14 -1.15 -0.04 0.00 1.01 0.00 0.00 42.92 42.61 1c0g s ASP 62 CO 0.03 -0.04 0.04 -0.76 0.21 0.00 0.00 175.17 174.65 1c0g s LEU 63 N 1.36 3.63 -0.09 1.23 1.43 0.32 -1.20 118.68 125.37 1c0g s LEU 63 Ca 0.02 0.00 0.03 0.00 -1.03 0.00 0.00 54.13 53.15 1c0g s LEU 63 Cb -0.13 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.18 1c0g s LEU 63 CO -0.08 0.16 -0.17 -1.00 0.23 0.00 0.00 176.35 175.48 1c0g s HIS 64 N 0.47 2.01 -0.22 0.29 3.76 0.22 -0.29 115.29 121.54 1c0g s HIS 64 Ca 0.01 -0.84 -0.06 0.00 -0.15 0.00 0.00 55.06 54.03 1c0g s HIS 64 Cb -0.13 -1.41 -0.02 0.00 1.11 0.00 0.00 32.58 32.13 1c0g s HIS 64 CO 0.01 -0.39 0.01 1.52 -0.85 0.00 0.00 174.74 175.05 1c0g s TYR 65 N 0.63 3.04 -0.18 1.40 -0.85 -0.48 -0.33 117.35 120.60 1c0g s TYR 65 Ca -0.14 -0.52 -0.07 0.00 -0.52 0.00 0.00 57.07 55.82 1c0g s TYR 65 Cb -0.16 -2.13 -0.04 0.00 0.38 0.00 0.00 41.96 40.00 1c0g s TYR 65 CO 0.04 -0.32 0.07 -0.46 -1.52 0.00 0.00 175.55 173.36 1c0g s TRP 66 N 1.25 3.27 -0.27 -3.49 -0.00 0.07 0.03 118.94 119.81 1c0g s TRP 66 Ca 0.04 0.11 0.03 0.00 -0.00 0.00 0.00 56.10 56.28 1c0g s TRP 66 Cb -0.15 -2.06 0.06 0.00 -0.00 0.00 0.00 33.47 31.32 1c0g s TRP 66 CO 0.01 0.21 -0.10 -0.51 -0.00 0.00 0.00 176.95 176.56 1c0g s LEU 67 N 0.24 3.53 0.50 5.86 1.43 0.27 -1.24 118.68 129.27 1c0g s LEU 67 Ca 0.04 -1.41 -0.22 0.00 -1.03 0.00 0.00 54.13 51.51 1c0g s LEU 67 Cb -0.12 -1.57 -0.06 0.00 0.03 0.00 0.00 46.19 44.47 1c0g s LEU 67 CO 0.00 -0.20 1.25 -0.83 0.23 0.00 0.00 176.35 176.80 1c0g s GLY 68 N 1.11 2.82 0.44 -3.19 0.00 -0.44 -2.05 107.32 106.00 1c0g s GLY 68 Ca -0.08 1.10 0.16 0.00 0.00 0.00 0.00 44.72 45.90 1c0g s GLY 68 CO -0.05 1.58 1.95 -0.57 0.00 0.00 0.00 173.10 176.01 1c0g h ASN 69 N 1.74 0.35 -0.47 1.64 -1.24 -1.71 -1.79 115.58 114.09 1c0g h ASN 69 Ca -0.50 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.52 1c0g h ASN 69 Cb 1.27 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.27 1c0g h ASN 69 CO 0.59 0.19 0.00 -0.62 -1.29 0.00 0.00 177.43 176.30 1c0g n GLU 70 N -4.47 3.58 -2.20 6.67 4.71 0.62 -5.01 120.64 124.54 1c0g n GLU 70 Ca 0.12 -2.80 -0.36 0.00 -0.01 0.00 0.00 57.16 54.12 1c0g n GLU 70 Cb 0.48 -1.85 0.01 0.00 -1.01 0.00 0.00 31.44 29.06 1c0g n GLU 70 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1c0g s SER 72 N -1.60 5.01 0.29 0.00 1.04 -1.26 -4.87 113.70 112.32 1c0g s SER 72 Ca 0.71 0.86 0.00 0.00 0.48 0.00 0.00 55.95 58.00 1c0g s SER 72 Cb -0.27 -1.54 0.45 0.00 0.10 0.00 0.00 66.02 64.76 1c0g s SER 72 CO 0.31 -1.56 1.82 -0.61 0.98 0.00 0.00 173.24 174.17 1c0g h GLN 73 N -0.75 0.71 -0.29 4.02 4.15 -2.00 -1.80 115.11 119.15 1c0g h GLN 73 Ca -0.45 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 58.78 1c0g h GLN 73 Cb 1.29 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.87 1c0g h GLN 73 CO 0.64 0.70 0.08 0.38 -1.93 0.00 0.00 178.83 178.69 1c0g h ASP 74 N 0.68 0.38 -0.03 -0.69 2.03 -1.98 -0.25 116.42 116.55 1c0g h ASP 74 Ca 0.14 -0.04 -0.08 0.00 -0.73 0.00 0.00 57.03 56.32 1c0g h ASP 74 Cb 0.36 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 38.77 1c0g h ASP 74 CO 0.01 0.38 -0.29 -0.33 -1.03 0.00 0.00 179.24 177.98 1c0g h GLU 75 N 0.41 0.25 -0.35 4.15 5.08 -1.71 -0.86 114.58 121.55 1c0g h GLU 75 Ca 0.10 -0.23 -0.12 0.00 -1.00 0.00 0.00 59.36 58.12 1c0g h GLU 75 Cb 0.15 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1c0g h GLU 75 CO -0.00 0.90 -0.24 0.66 -1.00 0.00 0.00 179.01 179.33 1c0g h SER 76 N -0.33 0.82 0.03 1.42 4.64 -1.46 0.58 113.55 119.25 1c0g h SER 76 Ca -0.03 -0.43 0.02 0.00 -0.47 0.00 0.00 61.79 60.88 1c0g h SER 76 Cb 0.98 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.82 1c0g h SER 76 CO 0.06 1.07 -0.12 1.23 -0.87 0.00 0.00 176.83 178.20 1c0g h GLY 77 N 0.56 -0.17 0.99 -0.77 0.00 -1.10 -2.26 103.07 100.31 1c0g h GLY 77 Ca 0.07 0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1c0g h GLY 77 CO 0.06 -0.12 0.31 0.00 0.00 0.00 0.00 176.54 176.79 1c0g h ALA 78 N 0.71 0.70 -0.76 3.60 0.00 -1.03 -1.40 119.26 121.08 1c0g h ALA 78 Ca 0.03 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1c0g h ALA 78 Cb 0.26 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 1c0g h ALA 78 CO -0.10 0.21 0.46 0.00 0.00 0.00 0.00 179.25 179.82 1c0g h ALA 79 N 1.14 1.03 -0.33 0.00 0.00 -0.79 0.22 119.26 120.53 1c0g h ALA 79 Ca 0.19 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1c0g h ALA 79 Cb 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1c0g h ALA 79 CO -0.03 0.19 0.18 0.00 0.00 0.00 0.00 179.25 179.58 1c0g h ALA 80 N 1.36 0.42 -0.16 0.00 0.00 -1.21 -1.73 119.26 117.94 1c0g h ALA 80 Ca 0.33 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1c0g h ALA 80 Cb 0.14 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1c0g h ALA 80 CO -0.16 -0.05 -0.08 0.82 0.00 0.00 0.00 179.25 179.78 1c0g h ILE 81 N 0.41 1.31 -0.67 0.00 2.04 -0.89 -2.21 117.51 117.51 1c0g h ILE 81 Ca 0.11 -1.14 0.13 0.00 1.00 0.00 0.00 64.86 64.97 1c0g h ILE 81 Cb 0.07 1.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 1c0g h ILE 81 CO -0.02 0.34 0.45 -0.26 0.00 0.00 0.00 178.15 178.66 1c0g h PHE 82 N 0.01 0.39 -0.18 1.37 0.05 -0.58 -0.23 116.94 117.78 1c0g h PHE 82 Ca 0.04 0.01 -0.00 0.00 3.82 0.00 0.00 57.97 61.83 1c0g h PHE 82 Cb 0.56 -0.13 -0.01 0.00 2.00 0.00 0.00 35.95 38.38 1c0g h PHE 82 CO 0.07 0.16 0.10 1.15 -0.18 0.00 0.00 178.31 179.61 1c0g h THR 83 N 0.35 1.11 -0.39 -1.55 2.02 -0.78 0.35 112.91 114.03 1c0g h THR 83 Ca 0.32 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 1c0g h THR 83 Cb 0.77 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1c0g h THR 83 CO -0.09 0.11 0.23 0.58 0.37 0.00 0.00 175.52 176.72 1c0g h VAL 84 N 0.18 1.13 -0.54 3.16 2.07 -0.80 -0.92 116.25 120.53 1c0g h VAL 84 Ca 0.06 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1c0g h VAL 84 Cb 0.08 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1c0g h VAL 84 CO -0.01 0.13 0.19 1.56 0.02 0.00 0.00 177.57 179.47 1c0g h GLN 85 N 0.51 0.82 -0.57 1.57 4.20 -0.84 -0.38 115.11 120.41 1c0g h GLN 85 Ca 0.14 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 1c0g h GLN 85 Cb 0.01 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1c0g h GLN 85 CO -0.03 0.73 0.18 -0.07 -0.67 0.00 0.00 178.83 178.97 1c0g h LEU 86 N 0.73 0.83 -0.11 1.46 3.38 -0.77 0.04 115.31 120.88 1c0g h LEU 86 Ca 0.18 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1c0g h LEU 86 Cb 0.23 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1c0g h LEU 86 CO -0.01 0.82 0.05 -0.78 0.09 0.00 0.00 178.44 178.61 1c0g h ASP 87 N 0.80 0.08 -0.95 -0.43 1.82 -0.88 -0.70 116.42 116.16 1c0g h ASP 87 Ca 0.18 0.01 0.06 0.00 -0.39 0.00 0.00 57.03 56.89 1c0g h ASP 87 Cb 0.29 -0.01 -0.06 0.00 0.68 0.00 0.00 39.33 40.22 1c0g h ASP 87 CO -0.01 0.06 0.61 0.44 -1.61 0.00 0.00 179.24 178.73 1c0g h ASP 88 N 0.11 0.98 -0.58 2.28 3.32 -0.87 0.13 116.42 121.79 1c0g h ASP 88 Ca 0.04 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 1c0g h ASP 88 Cb 0.01 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 1c0g h ASP 88 CO -0.03 0.64 0.26 0.22 -1.72 0.00 0.00 179.24 178.60 1c0g h TYR 89 N 1.12 0.89 -0.15 4.55 3.20 -0.56 -0.65 116.97 125.37 1c0g h TYR 89 Ca 0.40 -0.05 -0.05 0.00 3.14 0.00 0.00 58.73 62.18 1c0g h TYR 89 Cb 0.13 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.09 1c0g h TYR 89 CO -0.01 0.68 0.06 1.28 -1.64 0.00 0.00 178.16 178.53 1c0g n LEU 90 N -4.32 2.82 -2.37 2.82 4.77 -0.31 -4.85 117.00 115.56 1c0g n LEU 90 Ca 0.05 -1.44 -0.20 0.00 -0.03 0.00 0.00 56.01 54.40 1c0g n LEU 90 Cb 0.16 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1c0g n LEU 90 CO 0.39 0.46 -0.18 0.59 -1.33 0.00 0.00 177.39 177.32 1c0g n ASN 91 N 0.15 -5.63 0.00 -1.43 4.13 -0.25 -1.86 115.26 110.37 1c0g n ASN 91 Ca 0.09 -0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1c0g n ASN 91 Cb 0.58 -4.61 0.00 0.00 -1.54 0.00 0.00 39.78 34.21 1c0g n ASN 91 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1c0g n GLY 92 N -1.15 2.05 0.15 7.41 0.00 0.32 -4.91 105.19 109.07 1c0g n GLY 92 Ca -0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.96 1c0g n GLY 92 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1c0g h ARG 93 N 2.37 0.00 -6.95 1.61 3.08 -1.51 -3.45 114.38 109.54 1c0g h ARG 93 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.57 1c0g h ARG 93 Cb 0.00 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.07 1c0g h ARG 93 CO 0.00 0.00 0.42 0.00 -1.07 0.00 0.00 179.97 179.32 1c0g s ALA 94 N -3.32 3.11 -0.26 0.04 0.00 -1.26 -4.48 121.76 115.59 1c0g s ALA 94 Ca 0.05 0.72 -0.15 0.00 0.00 0.00 0.00 51.96 52.58 1c0g s ALA 94 Cb 0.10 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 1c0g s ALA 94 CO 0.48 -0.21 0.37 0.08 0.00 0.00 0.00 175.76 176.48 1c0g s VAL 95 N -1.62 5.18 0.18 0.00 1.01 -0.55 -4.92 120.40 119.68 1c0g s VAL 95 Ca 0.57 0.58 -0.15 0.00 0.00 0.00 0.00 61.98 62.98 1c0g s VAL 95 Cb -0.23 -3.70 -0.07 0.00 0.00 0.00 0.00 36.38 32.38 1c0g s VAL 95 CO 0.29 0.17 0.61 -1.10 0.00 0.00 0.00 175.10 175.06 1c0g s GLN 96 N 1.97 4.04 -0.04 2.72 -0.21 -1.26 -0.52 119.66 126.35 1c0g s GLN 96 Ca 0.15 0.58 -0.02 0.00 0.02 0.00 0.00 55.36 56.10 1c0g s GLN 96 Cb -0.16 -2.87 0.03 0.00 1.00 0.00 0.00 33.01 31.01 1c0g s GLN 96 CO 0.10 0.42 0.09 -1.01 -2.12 0.00 0.00 175.29 172.77 1c0g s HIS 97 N -1.54 -0.08 -0.22 0.91 3.76 0.60 -4.94 115.29 113.78 1c0g s HIS 97 Ca 0.41 0.29 -0.19 0.00 -0.15 0.00 0.00 55.06 55.42 1c0g s HIS 97 Cb -0.15 -0.09 -0.03 0.00 1.11 0.00 0.00 32.58 33.42 1c0g s HIS 97 CO 0.20 -0.10 0.56 0.50 -0.85 0.00 0.00 174.74 175.05 1c0g s ARG 98 N 0.78 4.15 -0.24 1.40 3.52 -1.26 -1.38 118.95 125.92 1c0g s ARG 98 Ca -0.06 0.46 -0.02 0.00 -0.13 0.00 0.00 55.73 55.99 1c0g s ARG 98 Cb -0.08 -3.60 0.02 0.00 -1.56 0.00 0.00 34.95 29.73 1c0g s ARG 98 CO -0.03 -0.26 -0.07 -1.21 -0.81 0.00 0.00 175.30 172.92 1c0g s GLU 99 N 2.00 2.88 -0.12 5.12 0.41 0.10 -4.91 118.70 124.18 1c0g s GLU 99 Ca 0.25 -0.95 -0.11 0.00 -0.41 0.00 0.00 54.97 53.76 1c0g s GLU 99 Cb -0.16 -2.96 -0.05 0.00 -1.78 0.00 0.00 34.13 29.19 1c0g s GLU 99 CO 0.09 -0.37 0.22 0.08 -0.49 0.00 0.00 175.26 174.79 1c0g s VAL 100 N 1.33 5.35 0.11 2.63 1.01 -1.26 -0.56 120.40 129.01 1c0g s VAL 100 Ca 0.01 0.40 -0.36 0.00 0.00 0.00 0.00 61.98 62.04 1c0g s VAL 100 Cb -0.16 -3.52 -0.17 0.00 0.00 0.00 0.00 36.38 32.52 1c0g s VAL 100 CO -0.05 0.53 1.21 1.67 0.00 0.00 0.00 175.10 178.46 1c0g n GLN 101 N 2.56 0.94 -0.09 2.72 7.27 -0.87 -0.34 117.38 129.57 1c0g n GLN 101 Ca -0.16 0.34 0.00 0.00 0.07 0.00 0.00 57.00 57.24 1c0g n GLN 101 Cb 0.53 -1.88 0.00 0.00 2.41 0.00 0.00 30.24 31.30 1c0g n GLN 101 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1c0g n GLY 102 N 2.17 1.92 0.40 1.69 0.00 -1.26 -4.79 105.19 105.32 1c0g n GLY 102 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.21 1c0g n GLY 102 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1c0g n PHE 103 N -2.00 0.00 -1.72 1.61 3.01 0.54 -5.11 117.46 113.78 1c0g n PHE 103 Ca 0.00 -0.15 -0.37 0.00 1.01 0.00 0.00 57.45 57.94 1c0g n PHE 103 Cb 0.00 -0.06 0.07 0.00 -0.01 0.00 0.00 39.48 39.48 1c0g n PHE 103 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1c0g s GLU 104 N -0.44 2.52 0.68 -1.08 8.01 -1.10 -4.53 118.70 122.77 1c0g s GLU 104 Ca 0.05 2.04 -0.15 0.00 0.01 0.00 0.00 54.97 56.92 1c0g s GLU 104 Cb 0.04 -1.84 0.01 0.00 -4.31 0.00 0.00 34.13 28.03 1c0g s GLU 104 CO 0.00 -1.61 1.13 -1.54 0.01 0.00 0.00 175.26 173.25 1c0g s SER 105 N -1.44 4.86 0.35 -0.19 1.04 -1.26 -4.86 113.70 112.20 1c0g s SER 105 Ca 0.82 2.08 0.04 0.00 0.48 0.00 0.00 55.95 59.37 1c0g s SER 105 Cb -0.37 -2.56 0.66 0.00 0.10 0.00 0.00 66.02 63.85 1c0g s SER 105 CO 0.40 -1.80 1.97 0.00 0.98 0.00 0.00 173.24 174.79 1c0g h ALA 106 N -0.09 1.51 -0.04 5.32 0.00 -1.99 -1.62 119.26 122.35 1c0g h ALA 106 Ca -0.47 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1c0g h ALA 106 Cb 1.26 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1c0g h ALA 106 CO 0.53 0.40 0.03 1.15 0.00 0.00 0.00 179.25 181.35 1c0g h THR 107 N 0.69 1.01 -0.44 0.00 2.02 -1.98 0.22 112.91 114.43 1c0g h THR 107 Ca 0.18 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.34 1c0g h THR 107 Cb 0.05 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1c0g h THR 107 CO -0.03 0.01 0.29 0.15 0.37 0.00 0.00 175.52 176.31 1c0g h PHE 108 N 0.06 0.56 -0.02 3.16 3.57 -1.80 -2.49 116.94 119.97 1c0g h PHE 108 Ca 0.02 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 1c0g h PHE 108 Cb -0.01 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 1c0g h PHE 108 CO -0.08 0.35 -0.29 -0.07 -2.23 0.00 0.00 178.31 176.00 1c0g h LEU 109 N 0.60 0.03 -0.73 0.59 3.38 -0.77 -1.14 115.31 117.27 1c0g h LEU 109 Ca 0.16 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1c0g h LEU 109 Cb -0.06 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1c0g h LEU 109 CO -0.03 0.32 0.00 0.61 0.09 0.00 0.00 178.44 179.43 1c0g n GLY 110 N -0.67 -1.01 0.11 0.83 0.00 0.72 -2.30 105.19 102.86 1c0g n GLY 110 Ca -0.02 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.21 1c0g n GLY 110 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1c0g n TYR 111 N -2.04 0.83 -3.69 1.61 4.01 -0.43 -4.36 117.16 113.10 1c0g n TYR 111 Ca 0.01 0.28 -0.37 0.00 -0.16 0.00 0.00 57.90 57.65 1c0g n TYR 111 Cb 0.13 -0.95 -0.09 0.00 -0.31 0.00 0.00 39.34 38.12 1c0g n TYR 111 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1c0g s PHE 112 N -3.19 3.46 0.52 -0.72 0.40 -0.97 -4.92 117.98 112.55 1c0g s PHE 112 Ca 0.08 -2.59 0.19 0.00 -0.60 0.00 0.00 56.93 54.01 1c0g s PHE 112 Cb 0.11 -3.27 1.32 0.00 0.51 0.00 0.00 43.02 41.69 1c0g s PHE 112 CO 0.50 -0.87 2.10 0.87 0.70 0.00 0.00 175.22 178.51 1c0g h LYS 113 N 7.25 0.00 -0.66 0.44 1.57 -1.84 0.17 116.57 123.49 1c0g h LYS 113 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1c0g h LYS 113 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1c0g h LYS 113 CO 0.72 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.47 1c0g n SER 114 N -4.48 4.78 -0.30 0.86 3.41 -1.26 -5.02 113.62 111.62 1c0g n SER 114 Ca 0.01 -2.43 0.00 0.00 -0.26 0.00 0.00 58.87 56.20 1c0g n SER 114 Cb 0.27 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1c0g n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c0g n GLY 115 N 1.18 -2.61 3.76 5.00 0.00 0.58 -4.99 105.19 108.10 1c0g n GLY 115 Ca 0.26 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 1c0g n GLY 115 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1c0g s LEU 116 N -0.22 3.45 0.01 0.99 0.20 -1.26 -4.94 118.68 116.91 1c0g s LEU 116 Ca 0.00 2.15 0.01 0.00 0.69 0.00 0.00 54.13 56.98 1c0g s LEU 116 Cb 0.00 -4.57 -0.01 0.00 -0.43 0.00 0.00 46.19 41.18 1c0g s LEU 116 CO 0.00 -1.72 -0.05 -0.75 -0.29 0.00 0.00 176.35 173.54 1c0g s LYS 117 N -3.86 0.39 -0.10 1.98 2.20 0.55 -5.02 119.74 115.88 1c0g s LYS 117 Ca 0.71 -0.30 -0.05 0.00 -0.36 0.00 0.00 55.97 55.97 1c0g s LYS 117 Cb -0.24 -0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 35.72 1c0g s LYS 117 CO 0.39 0.08 0.12 0.71 -0.36 0.00 0.00 175.35 176.30 1c0g s TYR 118 N -0.41 3.51 0.02 4.03 4.12 -1.26 -0.83 117.35 126.53 1c0g s TYR 118 Ca -0.01 0.44 0.03 0.00 0.02 0.00 0.00 57.07 57.55 1c0g s TYR 118 Cb -0.04 -1.89 -0.02 0.00 -1.52 0.00 0.00 41.96 38.49 1c0g s TYR 118 CO -0.00 0.68 -0.09 -1.59 0.02 0.00 0.00 175.55 174.57 1c0g s LYS 119 N -1.15 0.64 0.71 -0.62 -2.85 -0.27 -4.93 119.74 111.28 1c0g s LYS 119 Ca 0.17 -0.53 -0.11 0.00 -1.00 0.00 0.00 55.97 54.49 1c0g s LYS 119 Cb -0.12 -0.56 0.02 0.00 -2.06 0.00 0.00 37.83 35.11 1c0g s LYS 119 CO 0.06 0.14 1.07 0.15 0.10 0.00 0.00 175.35 176.87 1c0g s LYS 120 N -0.85 2.71 0.15 1.78 -0.14 -1.26 -0.90 119.74 121.23 1c0g s LYS 120 Ca -0.02 1.09 0.00 0.00 -1.36 0.00 0.00 55.97 55.68 1c0g s LYS 120 Cb -0.06 -1.96 0.00 0.00 -1.68 0.00 0.00 37.83 34.13 1c0g s LYS 120 CO 0.00 -1.29 0.00 0.41 -0.76 0.00 0.00 175.35 173.72 1c0g n GLY 121 N -1.50 -1.80 0.00 -3.33 0.00 -1.26 -4.73 105.19 92.58 1c0g n GLY 121 Ca 0.08 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1c0g n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c0g n GLY 122 N 0.00 0.15 3.80 -0.02 0.00 -1.26 -1.28 105.19 106.57 1c0g n GLY 122 Ca 0.00 -1.71 -0.35 0.00 0.00 0.00 0.00 46.02 43.96 1c0g n GLY 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c0g s VAL 123 N -2.09 4.10 0.65 1.61 0.11 -1.26 -5.03 120.40 118.49 1c0g s VAL 123 Ca 0.00 1.51 -0.15 0.00 -2.93 0.00 0.00 61.98 60.41 1c0g s VAL 123 Cb 0.00 -3.73 -0.01 0.00 -1.53 0.00 0.00 36.38 31.11 1c0g s VAL 123 CO 0.00 -0.09 1.09 0.00 -3.33 0.00 0.00 175.10 172.77 1c0g s ALA 124 N -1.85 2.56 0.46 1.54 0.00 -1.26 -4.91 121.76 118.30 1c0g s ALA 124 Ca 0.58 0.44 -0.23 0.00 0.00 0.00 0.00 51.96 52.75 1c0g s ALA 124 Cb -0.16 -3.28 -0.09 0.00 0.00 0.00 0.00 23.12 19.59 1c0g s ALA 124 CO 0.21 -1.16 1.06 0.45 0.00 0.00 0.00 175.76 176.32 1c0g n SER 125 N -2.43 1.45 -0.14 0.00 2.88 -1.26 -4.49 113.62 109.62 1c0g n SER 125 Ca 0.10 1.01 0.14 0.00 -1.33 0.00 0.00 58.87 58.78 1c0g n SER 125 Cb 0.52 -1.39 0.66 0.00 -0.75 0.00 0.00 64.21 63.25 1c0g n SER 125 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1c0g n GLY 126 N 1.12 -0.84 0.00 0.46 0.00 -1.26 -4.91 105.19 99.77 1c0g n GLY 126 Ca 0.10 -0.28 0.03 0.00 0.00 0.00 0.00 46.02 45.87 1c0g n GLY 126 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01