#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dej n GLY 2 N 0.00 1.81 2.25 3.17 0.00 -1.26 -5.09 105.19 106.07 1dej n GLY 2 Ca 0.00 -2.05 -0.21 0.00 0.00 0.00 0.00 46.02 43.76 1dej n GLY 2 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1dej n SER 3 N -0.93 1.00 -4.49 1.61 7.64 -1.26 -5.10 113.62 112.09 1dej n SER 3 Ca 0.00 -2.97 -0.36 0.00 1.01 0.00 0.00 58.87 56.55 1dej n SER 3 Cb 0.00 -0.62 -0.12 0.00 -1.01 0.00 0.00 64.21 62.46 1dej n SER 3 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1dej s VAL 4 N -2.17 4.30 0.20 0.44 1.01 -1.26 -5.06 120.40 117.86 1dej s VAL 4 Ca 0.39 -0.19 -0.32 0.00 0.00 0.00 0.00 61.98 61.86 1dej s VAL 4 Cb 0.28 -2.98 -0.12 0.00 0.00 0.00 0.00 36.38 33.56 1dej s VAL 4 CO -0.09 0.39 1.72 0.52 0.00 0.00 0.00 175.10 177.63 1dej n VAL 5 N 4.42 0.01 0.63 2.92 0.31 -1.26 -4.91 118.33 120.46 1dej n VAL 5 Ca -0.16 -0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.26 1dej n VAL 5 Cb 0.52 -1.95 0.10 0.00 -0.91 0.00 0.00 33.84 31.59 1dej n VAL 5 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1dej n GLU 6 N 3.97 1.70 -1.57 5.55 1.02 -1.26 -4.95 120.64 125.09 1dej n GLU 6 Ca 0.16 -1.69 -0.50 0.00 -0.02 0.00 0.00 57.16 55.11 1dej n GLU 6 Cb 0.34 -1.36 -0.05 0.00 -0.02 0.00 0.00 31.44 30.35 1dej n GLU 6 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1dej n HIS 7 N 1.05 1.25 0.17 -0.32 -0.00 -1.26 -4.87 115.22 111.23 1dej n HIS 7 Ca 0.12 0.70 0.10 0.00 0.46 0.00 0.00 57.72 59.09 1dej n HIS 7 Cb 0.47 -2.27 0.61 0.00 -0.12 0.00 0.00 29.99 28.68 1dej n HIS 7 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1dej h PRO 8 N 3.50 0.09 0.00 1.57 0.11 -1.99 -1.41 132.00 133.86 1dej h PRO 8 Ca -0.44 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.61 1dej h PRO 8 Cb 1.35 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 1dej h PRO 8 CO 0.71 0.06 -0.28 0.93 -0.21 0.00 0.00 178.00 179.21 1dej h GLU 9 N 0.09 0.00 -0.01 1.05 4.39 -1.91 -2.89 114.58 115.30 1dej h GLU 9 Ca 0.07 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.62 1dej h GLU 9 Cb 0.18 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1dej h GLU 9 CO -0.01 0.28 -0.71 0.74 -1.16 0.00 0.00 179.01 178.15 1dej h PHE 10 N 0.00 0.09 0.00 4.33 -1.00 -1.61 -1.81 116.94 116.93 1dej h PHE 10 Ca -0.00 -0.04 -0.07 0.00 2.81 0.00 0.00 57.97 60.67 1dej h PHE 10 Cb 0.87 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.41 1dej h PHE 10 CO 0.00 0.75 -0.31 -0.07 -1.61 0.00 0.00 178.31 177.07 1dej h LEU 11 N 0.04 0.00 0.00 1.54 3.38 -1.38 -2.10 115.31 116.79 1dej h LEU 11 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1dej h LEU 11 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1dej h LEU 11 CO 0.10 0.31 -0.85 0.29 0.09 0.00 0.00 178.44 178.38 1dej n LYS 12 N -3.75 0.42 -1.79 1.13 5.02 -0.95 -4.91 118.16 113.33 1dej n LYS 12 Ca -0.01 0.09 -0.41 0.00 -2.02 0.00 0.00 58.31 55.95 1dej n LYS 12 Cb 0.41 -1.73 -0.01 0.00 -0.02 0.00 0.00 35.03 33.68 1dej n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1dej s ALA 13 N -3.25 3.70 -1.48 7.82 0.00 -0.72 -3.49 121.76 124.33 1dej s ALA 13 Ca 0.03 1.56 -0.02 0.00 0.00 0.00 0.00 51.96 53.54 1dej s ALA 13 Cb 0.12 -3.63 0.01 0.00 0.00 0.00 0.00 23.12 19.61 1dej s ALA 13 CO 0.76 -0.99 0.14 0.41 0.00 0.00 0.00 175.76 176.08 1dej n GLY 14 N 1.71 -0.50 0.13 0.00 0.00 -1.26 -4.89 105.19 100.39 1dej n GLY 14 Ca 0.06 0.03 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 1dej n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dej h LYS 15 N -0.31 0.17 -3.75 1.61 1.79 -1.91 -3.47 116.57 110.71 1dej h LYS 15 Ca -0.43 -0.16 -0.08 0.00 -2.18 0.00 0.00 60.65 57.79 1dej h LYS 15 Cb 1.31 0.04 -0.14 0.00 -1.58 0.00 0.00 32.23 31.86 1dej h LYS 15 CO 0.50 0.86 -0.34 -1.83 -1.08 0.00 0.00 179.45 177.57 1dej s GLU 16 N -3.37 0.86 0.23 3.15 -1.05 -1.26 -5.12 118.70 112.13 1dej s GLU 16 Ca -0.03 -0.92 -0.31 0.00 -0.15 0.00 0.00 54.97 53.57 1dej s GLU 16 Cb 0.11 0.35 -0.14 0.00 -0.44 0.00 0.00 34.13 34.01 1dej s GLU 16 CO 0.81 -0.28 1.20 -2.30 0.95 0.00 0.00 175.26 175.64 1dej n PRO 17 N -0.04 1.51 -2.46 -4.83 -0.02 -1.26 -4.74 135.00 123.16 1dej n PRO 17 Ca -0.15 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1dej n PRO 17 Cb 0.62 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 1dej n PRO 17 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dej n GLY 18 N 1.77 -0.20 3.19 -1.23 0.00 0.04 -4.96 105.19 103.80 1dej n GLY 18 Ca 0.12 -1.45 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 1dej n GLY 18 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1dej s LEU 19 N 0.00 2.03 -0.02 0.99 2.96 -1.26 -0.75 118.68 122.63 1dej s LEU 19 Ca 0.00 -0.53 0.05 0.00 -0.22 0.00 0.00 54.13 53.43 1dej s LEU 19 Cb 0.00 -1.34 -0.01 0.00 0.50 0.00 0.00 46.19 45.34 1dej s LEU 19 CO 0.00 0.14 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.91 1dej s GLN 20 N 0.40 1.42 -0.03 1.98 -0.21 -0.41 -5.01 119.66 117.80 1dej s GLN 20 Ca -0.18 -0.59 0.02 0.00 0.02 0.00 0.00 55.36 54.63 1dej s GLN 20 Cb -0.18 -1.34 0.01 0.00 1.00 0.00 0.00 33.01 32.50 1dej s GLN 20 CO 0.08 0.33 -0.08 0.42 -2.12 0.00 0.00 175.29 173.92 1dej s ILE 21 N -0.28 0.69 0.05 1.08 1.01 -1.26 -1.20 121.20 121.28 1dej s ILE 21 Ca 0.04 -0.30 0.05 0.00 0.00 0.00 0.00 60.65 60.44 1dej s ILE 21 Cb -0.08 -0.63 -0.02 0.00 0.01 0.00 0.00 42.46 41.74 1dej s ILE 21 CO -0.00 0.22 -0.14 0.26 0.00 0.00 0.00 174.94 175.28 1dej s TRP 22 N 0.27 1.24 -0.03 3.97 0.51 -0.32 -0.80 118.94 123.78 1dej s TRP 22 Ca -0.04 -0.37 0.01 0.00 -2.12 0.00 0.00 56.10 53.57 1dej s TRP 22 Cb -0.09 -0.73 -0.03 0.00 -0.81 0.00 0.00 33.47 31.81 1dej s TRP 22 CO 0.00 0.04 -0.01 0.50 -0.51 0.00 0.00 176.95 176.97 1dej s ARG 23 N -1.26 2.82 -0.00 4.98 3.52 0.77 -1.06 118.95 128.72 1dej s ARG 23 Ca 0.01 -0.55 -0.30 0.00 -0.13 0.00 0.00 55.73 54.76 1dej s ARG 23 Cb -0.08 -2.68 -0.05 0.00 -1.56 0.00 0.00 34.95 30.57 1dej s ARG 23 CO 0.01 0.65 1.35 0.08 -0.81 0.00 0.00 175.30 176.59 1dej s VAL 24 N -0.99 3.81 -0.29 7.11 1.01 -0.53 -1.52 120.40 129.01 1dej s VAL 24 Ca 0.17 1.19 -0.02 0.00 0.00 0.00 0.00 61.98 63.31 1dej s VAL 24 Cb -0.11 -3.77 0.09 0.00 0.00 0.00 0.00 36.38 32.59 1dej s VAL 24 CO 0.07 0.01 0.10 -1.61 0.00 0.00 0.00 175.10 173.67 1dej s GLU 25 N 2.26 0.46 -1.19 2.72 2.02 -0.38 -4.72 118.70 119.87 1dej s GLU 25 Ca 0.62 -0.75 -0.19 0.00 0.02 0.00 0.00 54.97 54.67 1dej s GLU 25 Cb -0.30 -1.65 -0.00 0.00 0.10 0.00 0.00 34.13 32.28 1dej s GLU 25 CO 0.26 -0.96 0.73 1.63 0.02 0.00 0.00 175.26 176.94 1dej n LYS 26 N 5.05 -1.50 -1.09 1.61 5.02 -1.26 -2.22 118.16 123.77 1dej n LYS 26 Ca -0.05 0.41 -0.03 0.00 -2.02 0.00 0.00 58.31 56.63 1dej n LYS 26 Cb 0.43 -4.05 -0.01 0.00 -0.02 0.00 0.00 35.03 31.38 1dej n LYS 26 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1dej n PHE 27 N -4.31 0.00 -4.43 2.13 0.99 -1.26 -4.90 117.46 105.68 1dej n PHE 27 Ca -0.13 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 57.10 1dej n PHE 27 Cb 0.60 -1.10 -0.10 0.00 -1.00 0.00 0.00 39.48 37.88 1dej n PHE 27 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1dej s ASP 28 N -2.36 3.00 -0.42 4.37 2.15 -0.94 -5.12 116.67 117.35 1dej s ASP 28 Ca 0.00 -1.12 -0.10 0.00 0.43 0.00 0.00 52.55 51.76 1dej s ASP 28 Cb 0.00 -0.21 0.08 0.00 -0.30 0.00 0.00 42.92 42.49 1dej s ASP 28 CO 0.00 -0.21 0.27 -0.22 -0.17 0.00 0.00 175.17 174.84 1dej s LEU 29 N -3.45 5.19 -0.17 -1.34 2.96 -1.26 -1.25 118.68 119.36 1dej s LEU 29 Ca 0.28 -1.47 -0.03 0.00 -0.22 0.00 0.00 54.13 52.69 1dej s LEU 29 Cb 0.01 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 1dej s LEU 29 CO 0.12 -0.54 -0.06 -0.69 -1.32 0.00 0.00 176.35 173.85 1dej s VAL 30 N 1.45 3.52 0.39 1.68 1.01 -0.57 -4.93 120.40 122.95 1dej s VAL 30 Ca 0.03 -0.48 -0.26 0.00 0.00 0.00 0.00 61.98 61.27 1dej s VAL 30 Cb -0.23 -2.54 -0.11 0.00 0.00 0.00 0.00 36.38 33.50 1dej s VAL 30 CO 0.03 0.48 1.28 -0.81 0.00 0.00 0.00 175.10 176.07 1dej n PRO 31 N 3.87 2.00 -3.22 2.72 -0.04 -1.26 -0.17 135.00 138.91 1dej n PRO 31 Ca -0.18 0.71 -0.39 0.00 -0.04 0.00 0.00 63.50 63.60 1dej n PRO 31 Cb 0.52 -2.37 -0.06 0.00 -0.04 0.00 0.00 33.50 31.56 1dej n PRO 31 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1dej s VAL 32 N -1.17 4.99 0.14 0.52 1.01 0.02 -4.74 120.40 121.18 1dej s VAL 32 Ca 0.59 1.20 -0.34 0.00 0.00 0.00 0.00 61.98 63.43 1dej s VAL 32 Cb -0.53 -3.91 -0.14 0.00 0.00 0.00 0.00 36.38 31.80 1dej s VAL 32 CO 0.60 0.38 1.57 -2.65 0.00 0.00 0.00 175.10 175.00 1dej n PRO 33 N 3.04 2.05 0.27 2.72 -0.02 -1.26 -4.83 135.00 136.97 1dej n PRO 33 Ca -0.06 0.74 0.13 0.00 -2.02 0.00 0.00 63.50 62.29 1dej n PRO 33 Cb 0.51 -2.50 0.81 0.00 -0.02 0.00 0.00 33.50 32.30 1dej n PRO 33 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1dej h THR 34 N 3.69 0.69 0.00 3.45 1.35 -1.96 0.19 112.91 120.32 1dej h THR 34 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1dej h THR 34 Cb 1.26 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 1dej h THR 34 CO 0.88 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.15 1dej n LEU 36 N -1.90 3.13 -4.69 0.00 4.32 0.68 -4.99 117.00 113.54 1dej n LEU 36 Ca 0.02 -1.38 -0.44 0.00 -0.02 0.00 0.00 56.01 54.19 1dej n LEU 36 Cb 0.18 -0.17 -0.04 0.00 -1.62 0.00 0.00 43.42 41.78 1dej n LEU 36 CO 0.15 0.65 1.28 -1.22 -1.22 0.00 0.00 177.39 177.03 1dej n TYR 37 N 1.27 2.48 0.00 -1.77 4.02 -1.10 -1.78 117.16 120.28 1dej n TYR 37 Ca 0.16 0.16 0.00 0.00 -0.01 0.00 0.00 57.90 58.21 1dej n TYR 37 Cb 0.55 -2.60 0.00 0.00 -0.02 0.00 0.00 39.34 37.26 1dej n TYR 37 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1dej n GLY 38 N 3.67 3.12 3.56 2.72 0.00 -1.26 -5.03 105.19 111.98 1dej n GLY 38 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1dej n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dej s ASP 39 N -1.18 6.18 -0.17 1.61 1.01 -0.73 0.07 116.67 123.45 1dej s ASP 39 Ca 0.00 -0.10 -0.01 0.00 0.71 0.00 0.00 52.55 53.16 1dej s ASP 39 Cb 0.00 -2.19 -0.00 0.00 1.01 0.00 0.00 42.92 41.74 1dej s ASP 39 CO 0.00 -0.27 -0.13 -0.36 0.21 0.00 0.00 175.17 174.62 1dej s PHE 40 N 2.00 2.83 -0.05 4.23 0.40 -0.24 -4.99 117.98 122.17 1dej s PHE 40 Ca 0.12 -1.03 -0.30 0.00 -0.60 0.00 0.00 56.93 55.12 1dej s PHE 40 Cb -0.16 -1.94 -0.05 0.00 0.51 0.00 0.00 43.02 41.37 1dej s PHE 40 CO 0.11 -0.49 1.56 -0.06 0.70 0.00 0.00 175.22 177.04 1dej s PHE 41 N 0.97 2.26 -0.23 0.36 0.40 -1.26 -0.84 117.98 119.65 1dej s PHE 41 Ca -0.02 0.40 0.27 0.00 -0.60 0.00 0.00 56.93 56.99 1dej s PHE 41 Cb -0.15 -3.83 1.18 0.00 0.51 0.00 0.00 43.02 40.73 1dej s PHE 41 CO -0.02 -3.37 1.82 1.79 0.70 0.00 0.00 175.22 176.15 1dej h THR 42 N 5.39 0.00 -0.30 0.64 1.35 -1.23 -0.72 112.91 118.04 1dej h THR 42 Ca -0.38 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1dej h THR 42 Cb 1.17 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1dej h THR 42 CO 0.95 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.83 1dej n GLY 43 N -0.12 0.94 3.47 5.82 0.00 -0.40 0.16 105.19 115.05 1dej n GLY 43 Ca 0.01 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 1dej n GLY 43 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dej s ASP 44 N -0.82 2.51 0.11 1.61 -0.00 -0.28 -3.55 116.67 116.24 1dej s ASP 44 Ca 0.22 -1.65 0.08 0.00 -0.00 0.00 0.00 52.55 51.19 1dej s ASP 44 Cb 0.13 0.46 -0.03 0.00 -0.00 0.00 0.00 42.92 43.48 1dej s ASP 44 CO 0.12 -0.92 -0.19 0.00 -0.00 0.00 0.00 175.17 174.18 1dej s ALA 45 N -3.29 1.72 0.06 5.23 0.00 -1.26 -1.20 121.76 123.02 1dej s ALA 45 Ca 0.27 -1.24 -0.00 0.00 0.00 0.00 0.00 51.96 50.99 1dej s ALA 45 Cb 0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 1dej s ALA 45 CO 0.16 0.31 -0.04 0.71 0.00 0.00 0.00 175.76 176.90 1dej s TYR 46 N -1.32 0.61 -0.08 0.00 1.51 -0.52 -1.45 117.35 116.10 1dej s TYR 46 Ca 0.06 -1.01 0.04 0.00 -1.01 0.00 0.00 57.07 55.15 1dej s TYR 46 Cb -0.09 -0.42 0.00 0.00 -0.11 0.00 0.00 41.96 41.34 1dej s TYR 46 CO 0.04 -0.31 -0.20 0.08 -1.11 0.00 0.00 175.55 174.05 1dej s VAL 47 N -3.75 1.73 -0.09 0.71 1.01 -0.22 -0.82 120.40 118.97 1dej s VAL 47 Ca 0.07 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1dej s VAL 47 Cb 0.07 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.94 1dej s VAL 47 CO -0.08 0.49 -0.16 -0.63 0.00 0.00 0.00 175.10 174.71 1dej s ILE 48 N 0.41 1.51 -0.18 2.22 1.09 0.93 -1.17 121.20 126.01 1dej s ILE 48 Ca -0.16 -0.68 -0.00 0.00 -1.10 0.00 0.00 60.65 58.70 1dej s ILE 48 Cb -0.17 -1.35 0.01 0.00 -1.06 0.00 0.00 42.46 39.88 1dej s ILE 48 CO 0.07 0.44 -0.15 -0.22 -0.10 0.00 0.00 174.94 174.98 1dej s LEU 49 N 0.70 2.42 -0.32 2.97 2.96 -0.34 -0.39 118.68 126.68 1dej s LEU 49 Ca -0.13 -0.54 -0.10 0.00 -0.22 0.00 0.00 54.13 53.14 1dej s LEU 49 Cb -0.16 -1.57 -0.00 0.00 0.50 0.00 0.00 46.19 44.96 1dej s LEU 49 CO 0.03 0.02 0.17 -0.75 -1.32 0.00 0.00 176.35 174.50 1dej s LYS 50 N 1.20 3.30 -0.21 1.98 2.47 -0.23 -1.29 119.74 126.96 1dej s LYS 50 Ca 0.02 -0.75 -0.08 0.00 -1.56 0.00 0.00 55.97 53.60 1dej s LYS 50 Cb -0.14 -3.63 -0.04 0.00 -1.46 0.00 0.00 37.83 32.56 1dej s LYS 50 CO -0.07 -0.46 0.09 0.99 0.16 0.00 0.00 175.35 176.07 1dej s THR 51 N 1.63 4.85 -0.03 3.43 2.01 0.07 -1.95 115.64 125.64 1dej s THR 51 Ca 0.05 -0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.11 1dej s THR 51 Cb -0.17 -3.23 -0.01 0.00 0.01 0.00 0.00 72.50 69.10 1dej s THR 51 CO 0.07 0.40 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.49 1dej s VAL 52 N 0.85 1.77 0.00 3.82 1.01 -0.40 -0.78 120.40 126.68 1dej s VAL 52 Ca 0.05 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 60.78 1dej s VAL 52 Cb -0.13 -1.48 -0.06 0.00 0.00 0.00 0.00 36.38 34.71 1dej s VAL 52 CO 0.03 0.50 1.47 -1.58 0.00 0.00 0.00 175.10 175.51 1dej s GLN 53 N -0.38 4.25 0.17 2.72 2.00 -1.26 -0.28 119.66 126.88 1dej s GLN 53 Ca 0.05 2.05 -0.10 0.00 -2.00 0.00 0.00 55.36 55.35 1dej s GLN 53 Cb -0.10 -3.62 -0.07 0.00 0.80 0.00 0.00 33.01 30.03 1dej s GLN 53 CO 0.00 -0.63 0.50 -0.51 -0.50 0.00 0.00 175.29 174.15 1dej s LEU 54 N 2.62 4.25 0.39 3.68 1.43 -0.56 -4.90 118.68 125.59 1dej s LEU 54 Ca 0.66 0.90 0.16 0.00 -1.03 0.00 0.00 54.13 54.83 1dej s LEU 54 Cb -0.33 -3.42 1.04 0.00 0.03 0.00 0.00 46.19 43.51 1dej s LEU 54 CO 0.27 0.03 1.81 -0.09 0.23 0.00 0.00 176.35 178.60 1dej h ARG 55 N 3.03 0.44 0.00 1.70 2.43 -1.96 -1.52 114.38 118.50 1dej h ARG 55 Ca -0.48 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1dej h ARG 55 Cb 1.18 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1dej h ARG 55 CO 0.68 0.29 0.00 0.27 -1.51 0.00 0.00 179.97 179.71 1dej n ASN 56 N -4.58 0.25 0.00 -3.80 0.23 -1.26 -4.87 115.26 101.23 1dej n ASN 56 Ca 0.22 0.59 0.00 0.00 -0.53 0.00 0.00 54.58 54.86 1dej n ASN 56 Cb 0.75 -0.63 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 1dej n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1dej n GLY 57 N -0.73 3.42 3.98 4.83 0.00 -0.57 -5.05 105.19 111.06 1dej n GLY 57 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1dej n GLY 57 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1dej s ASN 58 N -0.81 3.82 -0.00 1.61 3.84 -1.26 -4.86 114.94 117.28 1dej s ASN 58 Ca 0.00 -0.30 0.06 0.00 0.21 0.00 0.00 52.86 52.83 1dej s ASN 58 Cb 0.00 0.11 -0.03 0.00 -0.55 0.00 0.00 41.25 40.78 1dej s ASN 58 CO 0.00 -2.23 -0.18 -0.76 -2.79 0.00 0.00 177.10 171.13 1dej s LEU 59 N -5.40 2.54 -0.09 3.21 1.43 -1.26 -1.50 118.68 117.61 1dej s LEU 59 Ca 0.70 -0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 53.36 1dej s LEU 59 Cb -0.04 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 1dej s LEU 59 CO 0.48 0.30 0.21 -1.58 0.23 0.00 0.00 176.35 175.99 1dej s GLN 60 N -1.03 3.57 -0.08 1.70 0.74 0.61 -4.92 119.66 120.25 1dej s GLN 60 Ca 0.13 0.01 0.03 0.00 0.05 0.00 0.00 55.36 55.58 1dej s GLN 60 Cb -0.10 -3.20 0.01 0.00 1.10 0.00 0.00 33.01 30.81 1dej s GLN 60 CO 0.02 0.76 -0.18 0.71 -0.55 0.00 0.00 175.29 176.05 1dej s TYR 61 N -1.04 1.96 -0.12 1.67 1.51 -1.26 -1.27 117.35 118.79 1dej s TYR 61 Ca 0.17 -0.75 0.02 0.00 -1.01 0.00 0.00 57.07 55.50 1dej s TYR 61 Cb -0.13 -1.35 0.01 0.00 -0.11 0.00 0.00 41.96 40.38 1dej s TYR 61 CO 0.07 -0.32 -0.18 -0.51 -1.11 0.00 0.00 175.55 173.50 1dej s ASP 62 N 0.45 2.72 -0.18 2.29 1.01 -0.82 -1.00 116.67 121.14 1dej s ASP 62 Ca -0.15 -0.50 -0.03 0.00 0.71 0.00 0.00 52.55 52.57 1dej s ASP 62 Cb -0.16 -1.24 -0.02 0.00 1.01 0.00 0.00 42.92 42.51 1dej s ASP 62 CO 0.06 0.03 -0.05 -0.76 0.21 0.00 0.00 175.17 174.66 1dej s LEU 63 N 0.97 3.03 -0.10 1.23 1.43 0.44 -1.07 118.68 124.62 1dej s LEU 63 Ca -0.06 -0.27 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1dej s LEU 63 Cb -0.15 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.33 1dej s LEU 63 CO -0.03 0.08 -0.20 -1.00 0.23 0.00 0.00 176.35 175.43 1dej s HIS 64 N 0.90 2.24 -0.24 0.29 3.76 0.48 0.59 115.29 123.30 1dej s HIS 64 Ca -0.01 -0.93 -0.02 0.00 -0.15 0.00 0.00 55.06 53.95 1dej s HIS 64 Cb -0.15 -1.53 0.02 0.00 1.11 0.00 0.00 32.58 32.03 1dej s HIS 64 CO 0.01 -0.41 -0.06 1.52 -0.85 0.00 0.00 174.74 174.96 1dej s TYR 65 N 0.52 3.03 -0.19 1.40 -0.85 -0.26 -0.05 117.35 120.94 1dej s TYR 65 Ca -0.16 -1.41 -0.13 0.00 -0.52 0.00 0.00 57.07 54.86 1dej s TYR 65 Cb -0.17 -2.07 -0.05 0.00 0.38 0.00 0.00 41.96 40.06 1dej s TYR 65 CO 0.06 -0.69 0.26 -0.46 -1.52 0.00 0.00 175.55 173.20 1dej s TRP 66 N 1.36 3.40 -0.26 -3.49 -0.00 0.00 0.27 118.94 120.22 1dej s TRP 66 Ca 0.02 0.47 -0.01 0.00 -0.00 0.00 0.00 56.10 56.58 1dej s TRP 66 Cb -0.16 -2.34 0.04 0.00 -0.00 0.00 0.00 33.47 31.01 1dej s TRP 66 CO -0.04 0.15 -0.06 -0.51 -0.00 0.00 0.00 176.95 176.49 1dej s LEU 67 N 0.78 3.43 0.55 5.86 1.43 0.77 -1.43 118.68 130.06 1dej s LEU 67 Ca 0.14 -1.11 -0.18 0.00 -1.03 0.00 0.00 54.13 51.94 1dej s LEU 67 Cb -0.13 -1.65 -0.06 0.00 0.03 0.00 0.00 46.19 44.39 1dej s LEU 67 CO 0.04 -0.18 1.08 -0.83 0.23 0.00 0.00 176.35 176.69 1dej s GLY 68 N 1.25 2.43 0.55 -3.19 0.00 -0.34 -2.16 107.32 105.85 1dej s GLY 68 Ca -0.03 0.63 0.24 0.00 0.00 0.00 0.00 44.72 45.56 1dej s GLY 68 CO -0.04 0.97 2.08 -0.57 0.00 0.00 0.00 173.10 175.54 1dej h ASN 69 N 1.02 0.00 -0.32 1.64 -1.24 -1.62 -1.52 115.58 113.54 1dej h ASN 69 Ca -0.49 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.52 1dej h ASN 69 Cb 1.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.29 1dej h ASN 69 CO 0.57 0.00 0.00 -0.62 -1.29 0.00 0.00 177.43 176.09 1dej n GLU 70 N -4.24 2.99 -2.09 6.67 4.71 0.12 -5.01 120.64 123.79 1dej n GLU 70 Ca 0.03 -2.54 -0.36 0.00 -0.01 0.00 0.00 57.16 54.29 1dej n GLU 70 Cb 0.36 -1.63 0.02 0.00 -1.01 0.00 0.00 31.44 29.18 1dej n GLU 70 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1dej s SER 72 N -1.64 4.76 0.34 0.00 1.04 -1.26 -4.87 113.70 112.07 1dej s SER 72 Ca 0.76 0.58 0.05 0.00 0.48 0.00 0.00 55.95 57.82 1dej s SER 72 Cb -0.28 -1.20 0.60 0.00 0.10 0.00 0.00 66.02 65.24 1dej s SER 72 CO 0.31 -1.67 1.86 -0.61 0.98 0.00 0.00 173.24 174.11 1dej h GLN 73 N -0.72 0.48 -0.52 4.02 4.15 -2.00 -0.48 115.11 120.03 1dej h GLN 73 Ca -0.45 -0.11 -0.04 0.00 0.77 0.00 0.00 58.65 58.81 1dej h GLN 73 Cb 1.32 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.92 1dej h GLN 73 CO 0.62 0.55 0.14 0.38 -1.93 0.00 0.00 178.83 178.59 1dej h ASP 74 N 0.45 0.72 -0.23 -0.69 2.03 -1.98 -0.63 116.42 116.10 1dej h ASP 74 Ca 0.09 -0.12 -0.09 0.00 -0.73 0.00 0.00 57.03 56.19 1dej h ASP 74 Cb 0.38 -0.19 -0.00 0.00 -0.83 0.00 0.00 39.33 38.69 1dej h ASP 74 CO 0.02 0.70 -0.21 -0.33 -1.03 0.00 0.00 179.24 178.39 1dej h GLU 75 N 0.76 0.55 0.00 4.15 5.08 -1.47 0.30 114.58 123.95 1dej h GLU 75 Ca 0.17 -0.28 -0.21 0.00 -1.00 0.00 0.00 59.36 58.04 1dej h GLU 75 Cb 0.25 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1dej h GLU 75 CO -0.01 0.86 -0.91 0.66 -1.00 0.00 0.00 179.01 178.62 1dej h SER 76 N 0.25 0.36 -0.40 1.42 4.64 -1.43 0.47 113.55 118.85 1dej h SER 76 Ca 0.04 -0.29 -0.14 0.00 -0.47 0.00 0.00 61.79 60.93 1dej h SER 76 Cb 0.75 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 1dej h SER 76 CO 0.05 1.10 -0.28 1.23 -0.87 0.00 0.00 176.83 178.05 1dej h GLY 77 N 1.62 0.98 0.85 -0.77 0.00 -1.17 -2.41 103.07 102.17 1dej h GLY 77 Ca -0.06 -0.94 -0.03 0.00 0.00 0.00 0.00 47.33 46.30 1dej h GLY 77 CO 0.15 0.85 0.04 0.00 0.00 0.00 0.00 176.54 177.58 1dej h ALA 78 N 0.80 0.29 -0.50 3.60 0.00 -0.69 -2.10 119.26 120.66 1dej h ALA 78 Ca 0.08 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.91 1dej h ALA 78 Cb 0.86 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 1dej h ALA 78 CO 0.08 -0.04 0.03 0.00 0.00 0.00 0.00 179.25 179.32 1dej h ALA 79 N 0.84 0.51 0.06 0.00 0.00 -0.81 0.19 119.26 120.05 1dej h ALA 79 Ca 0.07 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1dej h ALA 79 Cb 0.32 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1dej h ALA 79 CO 0.00 -0.36 -0.13 0.00 0.00 0.00 0.00 179.25 178.76 1dej h ALA 80 N 1.43 -0.19 -0.17 0.00 0.00 -1.34 -1.39 119.26 117.59 1dej h ALA 80 Ca 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1dej h ALA 80 Cb 0.38 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1dej h ALA 80 CO -0.39 -0.64 0.06 0.82 0.00 0.00 0.00 179.25 179.10 1dej h ILE 81 N -0.25 1.16 -0.90 0.00 2.04 -0.98 -1.64 117.51 116.94 1dej h ILE 81 Ca 0.03 -0.49 0.20 0.00 1.00 0.00 0.00 64.86 65.60 1dej h ILE 81 Cb 0.27 1.18 -0.07 0.00 -0.74 0.00 0.00 36.82 37.46 1dej h ILE 81 CO -0.09 0.15 0.60 -0.26 0.00 0.00 0.00 178.15 178.55 1dej h PHE 82 N 0.11 0.56 -0.36 1.37 0.05 -0.58 0.27 116.94 118.36 1dej h PHE 82 Ca 0.06 0.02 -0.05 0.00 3.82 0.00 0.00 57.97 61.81 1dej h PHE 82 Cb 0.18 -0.17 -0.01 0.00 2.00 0.00 0.00 35.95 37.95 1dej h PHE 82 CO -0.01 0.15 0.02 1.15 -0.18 0.00 0.00 178.31 179.44 1dej h THR 83 N 0.42 1.25 -0.67 -1.55 2.02 -0.52 0.51 112.91 114.37 1dej h THR 83 Ca 0.47 -0.93 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 1dej h THR 83 Cb 1.16 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 68.69 1dej h THR 83 CO -0.18 0.31 0.40 0.58 0.37 0.00 0.00 175.52 177.00 1dej h VAL 84 N 0.44 1.20 -0.58 3.16 2.07 -0.21 -1.54 116.25 120.79 1dej h VAL 84 Ca 0.10 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 1dej h VAL 84 Cb 0.42 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1dej h VAL 84 CO 0.01 0.21 0.17 1.56 0.02 0.00 0.00 177.57 179.54 1dej h GLN 85 N 0.91 0.91 -0.75 1.57 4.20 -0.05 -1.32 115.11 120.58 1dej h GLN 85 Ca 0.24 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 1dej h GLN 85 Cb -0.01 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 1dej h GLN 85 CO -0.04 0.83 0.25 -0.07 -0.67 0.00 0.00 178.83 179.12 1dej h LEU 86 N 0.83 1.08 -0.27 1.46 3.38 -0.65 0.02 115.31 121.16 1dej h LEU 86 Ca 0.19 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1dej h LEU 86 Cb 0.30 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1dej h LEU 86 CO -0.00 0.99 0.16 -0.78 0.09 0.00 0.00 178.44 178.90 1dej h ASP 87 N 1.11 0.32 -0.15 -0.43 1.82 -0.97 -0.32 116.42 117.81 1dej h ASP 87 Ca 0.24 -0.05 0.01 0.00 -0.39 0.00 0.00 57.03 56.85 1dej h ASP 87 Cb 0.29 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.20 1dej h ASP 87 CO -0.01 0.27 0.06 0.44 -1.61 0.00 0.00 179.24 178.39 1dej h ASP 88 N 0.34 0.07 -0.97 2.28 3.32 -1.03 0.20 116.42 120.63 1dej h ASP 88 Ca 0.10 0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.26 1dej h ASP 88 Cb 0.01 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.49 1dej h ASP 88 CO -0.02 0.06 0.62 0.22 -1.72 0.00 0.00 179.24 178.41 1dej h TYR 89 N 0.13 1.11 -0.28 4.55 3.20 -0.67 0.61 116.97 125.61 1dej h TYR 89 Ca 0.06 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.81 1dej h TYR 89 Cb 0.03 -0.36 -0.09 0.00 1.54 0.00 0.00 36.73 37.86 1dej h TYR 89 CO -0.10 0.50 0.20 1.28 -1.64 0.00 0.00 178.16 178.39 1dej n LEU 90 N -4.56 4.46 -2.15 2.82 4.77 -0.16 -4.85 117.00 117.34 1dej n LEU 90 Ca 0.17 -2.27 -0.19 0.00 -0.03 0.00 0.00 56.01 53.69 1dej n LEU 90 Cb 0.29 -0.70 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 1dej n LEU 90 CO 0.30 0.75 -0.22 0.59 -1.33 0.00 0.00 177.39 177.48 1dej n ASN 91 N 0.19 -5.31 0.00 -1.43 4.13 0.21 -2.35 115.26 110.69 1dej n ASN 91 Ca 0.17 0.17 0.00 0.00 1.68 0.00 0.00 54.58 56.60 1dej n ASN 91 Cb 0.78 -4.52 0.00 0.00 -1.54 0.00 0.00 39.78 34.49 1dej n ASN 91 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1dej n GLY 92 N -0.78 1.37 0.24 7.41 0.00 0.54 -4.90 105.19 109.08 1dej n GLY 92 Ca -0.21 0.00 0.16 0.00 0.00 0.00 0.00 46.02 45.97 1dej n GLY 92 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1dej h ARG 93 N 2.99 0.00 -7.06 1.61 3.08 -1.61 -3.45 114.38 109.94 1dej h ARG 93 Ca 0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 1dej h ARG 93 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1dej h ARG 93 CO 0.00 0.00 0.36 0.00 -1.07 0.00 0.00 179.97 179.26 1dej s ALA 94 N -3.60 2.96 -0.23 0.04 0.00 -1.26 -4.37 121.76 115.29 1dej s ALA 94 Ca 0.01 0.51 -0.12 0.00 0.00 0.00 0.00 51.96 52.37 1dej s ALA 94 Cb 0.09 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.96 1dej s ALA 94 CO 0.49 -0.10 0.20 0.08 0.00 0.00 0.00 175.76 176.43 1dej s VAL 95 N -2.06 5.33 0.05 0.00 1.01 -0.17 -4.93 120.40 119.64 1dej s VAL 95 Ca 0.64 0.28 -0.17 0.00 0.00 0.00 0.00 61.98 62.74 1dej s VAL 95 Cb -0.13 -3.54 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 1dej s VAL 95 CO 0.17 0.33 0.50 -1.10 0.00 0.00 0.00 175.10 175.00 1dej s GLN 96 N 1.06 4.06 -0.02 2.72 -0.21 -1.26 -0.42 119.66 125.59 1dej s GLN 96 Ca 0.10 0.57 0.01 0.00 0.02 0.00 0.00 55.36 56.06 1dej s GLN 96 Cb -0.14 -3.19 0.01 0.00 1.00 0.00 0.00 33.01 30.70 1dej s GLN 96 CO 0.05 0.64 -0.02 -1.01 -2.12 0.00 0.00 175.29 172.83 1dej s HIS 97 N -1.15 0.34 -0.27 0.91 3.76 0.20 -4.94 115.29 114.13 1dej s HIS 97 Ca 0.28 -0.04 -0.17 0.00 -0.15 0.00 0.00 55.06 54.98 1dej s HIS 97 Cb -0.18 -0.33 -0.03 0.00 1.11 0.00 0.00 32.58 33.16 1dej s HIS 97 CO 0.17 -0.07 0.48 0.50 -0.85 0.00 0.00 174.74 174.97 1dej s ARG 98 N 0.49 4.00 -0.19 1.40 3.52 -1.26 -1.10 118.95 125.81 1dej s ARG 98 Ca -0.05 0.20 -0.01 0.00 -0.13 0.00 0.00 55.73 55.74 1dej s ARG 98 Cb -0.08 -3.67 0.01 0.00 -1.56 0.00 0.00 34.95 29.64 1dej s ARG 98 CO -0.01 -0.37 -0.14 -1.21 -0.81 0.00 0.00 175.30 172.75 1dej s GLU 99 N 2.27 3.15 -0.14 5.12 0.41 0.14 -4.92 118.70 124.73 1dej s GLU 99 Ca 0.19 -0.75 -0.07 0.00 -0.41 0.00 0.00 54.97 53.93 1dej s GLU 99 Cb -0.16 -2.71 -0.04 0.00 -1.78 0.00 0.00 34.13 29.44 1dej s GLU 99 CO 0.10 -0.16 0.13 0.08 -0.49 0.00 0.00 175.26 174.91 1dej s VAL 100 N 1.25 5.38 0.03 2.63 1.01 -1.26 -0.16 120.40 129.28 1dej s VAL 100 Ca 0.03 0.16 -0.37 0.00 0.00 0.00 0.00 61.98 61.81 1dej s VAL 100 Cb -0.14 -3.36 -0.16 0.00 0.00 0.00 0.00 36.38 32.72 1dej s VAL 100 CO -0.07 0.58 1.48 1.67 0.00 0.00 0.00 175.10 178.76 1dej n GLN 101 N 2.37 1.41 -0.25 2.72 7.27 -0.92 -0.46 117.38 129.52 1dej n GLN 101 Ca -0.19 0.51 0.00 0.00 0.07 0.00 0.00 57.00 57.39 1dej n GLN 101 Cb 0.54 -2.20 0.00 0.00 2.41 0.00 0.00 30.24 30.99 1dej n GLN 101 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1dej n GLY 102 N 3.08 1.31 1.12 1.69 0.00 -1.26 -4.81 105.19 106.31 1dej n GLY 102 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.23 1dej n GLY 102 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1dej n PHE 103 N -2.00 0.00 -1.89 1.61 3.01 0.39 -5.12 117.46 113.46 1dej n PHE 103 Ca 0.00 -0.33 -0.33 0.00 1.01 0.00 0.00 57.45 57.79 1dej n PHE 103 Cb 0.00 -0.04 0.03 0.00 -0.01 0.00 0.00 39.48 39.46 1dej n PHE 103 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1dej s GLU 104 N 0.00 2.96 0.88 -1.08 8.01 -1.12 -4.51 118.70 123.84 1dej s GLU 104 Ca 0.19 1.42 -0.11 0.00 0.01 0.00 0.00 54.97 56.49 1dej s GLU 104 Cb 0.22 -1.97 0.12 0.00 -4.31 0.00 0.00 34.13 28.20 1dej s GLU 104 CO -0.10 -1.13 1.10 -1.54 0.01 0.00 0.00 175.26 173.61 1dej s SER 105 N -2.42 3.43 0.31 -0.19 1.04 -1.26 -4.85 113.70 109.75 1dej s SER 105 Ca 0.68 1.84 0.03 0.00 0.48 0.00 0.00 55.95 58.98 1dej s SER 105 Cb -0.21 -2.44 0.50 0.00 0.10 0.00 0.00 66.02 63.98 1dej s SER 105 CO 0.38 -2.72 1.80 0.00 0.98 0.00 0.00 173.24 173.68 1dej h ALA 106 N -1.61 1.24 -0.41 5.32 0.00 -1.98 -2.20 119.26 119.62 1dej h ALA 106 Ca -0.46 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 1dej h ALA 106 Cb 1.26 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1dej h ALA 106 CO 0.49 0.50 0.23 1.15 0.00 0.00 0.00 179.25 181.62 1dej h THR 107 N 0.49 1.14 -0.42 0.00 2.02 -1.98 0.30 112.91 114.48 1dej h THR 107 Ca 0.09 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 1dej h THR 107 Cb 0.47 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1dej h THR 107 CO 0.03 0.15 0.16 0.15 0.37 0.00 0.00 175.52 176.38 1dej h PHE 108 N 0.53 0.64 0.00 3.16 3.57 -1.84 -2.00 116.94 121.01 1dej h PHE 108 Ca 0.14 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1dej h PHE 108 Cb 0.03 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 1dej h PHE 108 CO -0.03 0.57 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.36 1dej h LEU 109 N 0.53 0.00 -0.48 0.59 3.38 -1.13 0.12 115.31 118.32 1dej h LEU 109 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1dej h LEU 109 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1dej h LEU 109 CO -0.01 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.32 1dej n GLY 110 N -0.61 -1.39 0.13 0.83 0.00 0.10 -2.55 105.19 101.70 1dej n GLY 110 Ca -0.02 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.18 1dej n GLY 110 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1dej n TYR 111 N -2.21 0.89 -3.57 1.61 4.01 0.03 -4.43 117.16 113.49 1dej n TYR 111 Ca 0.03 0.33 -0.40 0.00 -0.16 0.00 0.00 57.90 57.69 1dej n TYR 111 Cb 0.28 -1.03 -0.07 0.00 -0.31 0.00 0.00 39.34 38.22 1dej n TYR 111 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1dej s PHE 112 N -3.28 3.53 0.50 -0.72 0.40 -1.06 -4.93 117.98 112.41 1dej s PHE 112 Ca 0.06 -2.36 0.23 0.00 -0.60 0.00 0.00 56.93 54.25 1dej s PHE 112 Cb 0.10 -3.44 1.29 0.00 0.51 0.00 0.00 43.02 41.48 1dej s PHE 112 CO 0.45 -0.91 1.96 0.87 0.70 0.00 0.00 175.22 178.29 1dej h LYS 113 N 7.49 0.13 -0.55 0.44 1.57 -1.85 0.12 116.57 123.91 1dej h LYS 113 Ca -0.01 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 1dej h LYS 113 Cb 1.00 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.20 1dej h LYS 113 CO 0.75 0.09 0.13 -1.13 -0.57 0.00 0.00 179.45 178.72 1dej n SER 114 N -4.40 4.40 -0.67 0.86 3.41 -1.26 -5.02 113.62 110.94 1dej n SER 114 Ca 0.12 -3.21 0.00 0.00 -0.26 0.00 0.00 58.87 55.52 1dej n SER 114 Cb 0.62 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1dej n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dej n GLY 115 N -0.29 -2.48 3.70 5.00 0.00 0.40 -4.97 105.19 106.55 1dej n GLY 115 Ca 0.34 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 1dej n GLY 115 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1dej n LEU 116 N 0.00 4.28 -4.13 0.99 0.00 -1.26 -4.93 117.00 111.95 1dej n LEU 116 Ca 0.00 1.06 -0.23 0.00 0.00 0.00 0.00 56.01 56.84 1dej n LEU 116 Cb 0.00 -1.51 -0.15 0.00 0.00 0.00 0.00 43.42 41.76 1dej n LEU 116 CO 0.00 -0.72 -0.48 -0.75 0.00 0.00 0.00 177.39 175.44 1dej s LYS 117 N -2.37 1.21 -0.06 1.96 2.20 0.11 -5.03 119.74 117.77 1dej s LYS 117 Ca 0.64 -0.57 -0.07 0.00 -0.36 0.00 0.00 55.97 55.61 1dej s LYS 117 Cb -0.48 -1.18 -0.04 0.00 -1.51 0.00 0.00 37.83 34.62 1dej s LYS 117 CO 0.56 0.32 0.21 0.71 -0.36 0.00 0.00 175.35 176.78 1dej s TYR 118 N -0.40 3.60 -0.01 4.03 4.12 -1.26 -1.08 117.35 126.35 1dej s TYR 118 Ca 0.06 0.57 0.02 0.00 0.02 0.00 0.00 57.07 57.73 1dej s TYR 118 Cb -0.06 -1.97 -0.00 0.00 -1.52 0.00 0.00 41.96 38.40 1dej s TYR 118 CO -0.00 0.69 -0.07 -1.59 0.02 0.00 0.00 175.55 174.59 1dej s LYS 119 N -1.35 0.64 0.74 -0.62 -2.85 -0.02 -4.89 119.74 111.39 1dej s LYS 119 Ca 0.21 -0.25 -0.14 0.00 -1.00 0.00 0.00 55.97 54.79 1dej s LYS 119 Cb -0.13 -0.62 0.05 0.00 -2.06 0.00 0.00 37.83 35.07 1dej s LYS 119 CO 0.10 0.13 1.17 0.15 0.10 0.00 0.00 175.35 177.01 1dej s LYS 120 N -0.05 2.12 0.00 1.78 -0.14 -1.26 -1.14 119.74 121.05 1dej s LYS 120 Ca 0.01 1.63 0.00 0.00 -1.36 0.00 0.00 55.97 56.25 1dej s LYS 120 Cb -0.04 -1.85 0.00 0.00 -1.68 0.00 0.00 37.83 34.26 1dej s LYS 120 CO -0.00 -1.82 0.00 0.41 -0.76 0.00 0.00 175.35 173.18 1dej n GLY 121 N 0.11 -1.15 0.00 -3.33 0.00 -1.26 -4.75 105.19 94.81 1dej n GLY 121 Ca 0.12 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1dej n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dej n GLY 122 N 0.00 0.09 3.80 -0.02 0.00 -1.26 -1.28 105.19 106.52 1dej n GLY 122 Ca 0.00 -1.66 -0.39 0.00 0.00 0.00 0.00 46.02 43.97 1dej n GLY 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dej s VAL 123 N -2.34 4.54 0.74 1.61 0.11 -1.26 -5.05 120.40 118.76 1dej s VAL 123 Ca 0.00 1.45 -0.15 0.00 -2.93 0.00 0.00 61.98 60.35 1dej s VAL 123 Cb 0.00 -4.00 0.05 0.00 -1.53 0.00 0.00 36.38 30.89 1dej s VAL 123 CO 0.00 0.49 1.22 0.00 -3.33 0.00 0.00 175.10 173.48 1dej s ALA 124 N -1.19 2.07 0.63 1.54 0.00 -1.26 -4.92 121.76 118.64 1dej s ALA 124 Ca 0.34 0.90 -0.19 0.00 0.00 0.00 0.00 51.96 53.02 1dej s ALA 124 Cb -0.21 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.41 1dej s ALA 124 CO 0.23 -1.95 1.31 0.45 0.00 0.00 0.00 175.76 175.79 1dej n SER 125 N -2.78 2.19 0.13 0.00 2.88 -1.26 -4.45 113.62 110.32 1dej n SER 125 Ca 0.14 0.85 0.13 0.00 -1.33 0.00 0.00 58.87 58.66 1dej n SER 125 Cb 0.50 -1.56 0.30 0.00 -0.75 0.00 0.00 64.21 62.70 1dej n SER 125 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1dej h GLY 126 N 0.68 0.00 0.89 0.46 0.00 -1.93 -3.47 103.07 99.71 1dej h GLY 126 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1dej h GLY 126 CO 0.54 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.77