#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a7a s VAL 3 N 0.00 -0.92 0.04 3.44 1.01 -1.26 -4.92 120.40 117.79 3a7a s VAL 3 Ca 0.00 0.02 -0.38 0.00 0.00 0.00 0.00 61.98 61.62 3a7a s VAL 3 Cb 0.00 -0.93 -0.18 0.00 0.00 0.00 0.00 36.38 35.26 3a7a s VAL 3 CO 0.00 0.01 1.24 -2.65 0.00 0.00 0.00 175.10 173.69 3a7a n PRO 4 N 5.43 0.67 0.08 2.72 -0.02 -1.26 -4.87 135.00 137.75 3a7a n PRO 4 Ca -0.09 0.24 -0.13 0.00 -2.02 0.00 0.00 63.50 61.51 3a7a n PRO 4 Cb 0.50 -1.83 -0.07 0.00 -0.02 0.00 0.00 33.50 32.08 3a7a n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a7a h ALA 5 N 3.95 0.32 0.00 3.55 0.00 -2.00 -3.29 119.26 121.80 3a7a h ALA 5 Ca -0.49 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 53.65 3a7a h ALA 5 Cb 1.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3a7a h ALA 5 CO 0.73 0.90 0.00 -0.85 0.00 0.00 0.00 179.25 180.03 3a7a n GLU 6 N -3.64 0.05 -3.38 0.00 0.00 -1.26 -3.92 120.64 108.49 3a7a n GLU 6 Ca -0.06 0.08 -0.30 0.00 0.00 0.00 0.00 57.16 56.88 3a7a n GLU 6 Cb 0.89 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.79 3a7a n GLU 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3a7a s LEU 7 N -2.94 4.11 0.02 -1.84 1.43 -1.24 -4.94 118.68 113.28 3a7a s LEU 7 Ca 0.13 0.80 -0.01 0.00 -1.03 0.00 0.00 54.13 54.02 3a7a s LEU 7 Cb 0.16 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.75 3a7a s LEU 7 CO 0.43 -0.13 0.17 -0.54 0.23 0.00 0.00 176.35 176.50 3a7a s LYS 8 N -3.18 3.34 0.46 1.70 -0.14 -1.12 -3.95 119.74 116.84 3a7a s LYS 8 Ca 0.45 -0.41 0.03 0.00 -1.36 0.00 0.00 55.97 54.68 3a7a s LYS 8 Cb -0.11 -3.02 -0.02 0.00 -1.68 0.00 0.00 37.83 33.01 3a7a s LYS 8 CO 0.26 0.65 0.08 0.71 -0.76 0.00 0.00 175.35 176.29 3a7a s TYR 9 N -1.36 1.80 0.27 3.18 1.51 -1.08 0.00 117.35 121.68 3a7a s TYR 9 Ca 0.29 -1.17 0.03 0.00 -1.01 0.00 0.00 57.07 55.20 3a7a s TYR 9 Cb -0.13 -1.34 -0.04 0.00 -0.11 0.00 0.00 41.96 40.35 3a7a s TYR 9 CO 0.21 -0.10 0.20 -1.54 -1.11 0.00 0.00 175.55 173.21 3a7a s SER 10 N -3.73 0.93 0.34 2.29 1.04 -1.00 -2.49 113.70 111.07 3a7a s SER 10 Ca 0.15 -1.57 0.08 0.00 0.48 0.00 0.00 55.95 55.09 3a7a s SER 10 Cb 0.02 0.46 0.61 0.00 0.10 0.00 0.00 66.02 67.21 3a7a s SER 10 CO 0.10 -0.95 1.80 0.50 0.98 0.00 0.00 173.24 175.67 3a7a h LYS 11 N 2.38 0.23 -0.32 4.02 3.11 -1.91 -2.63 116.57 121.44 3a7a h LYS 11 Ca -0.31 -0.08 0.00 0.00 -2.81 0.00 0.00 60.65 57.45 3a7a h LYS 11 Cb 1.24 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.45 3a7a h LYS 11 CO 0.45 0.50 0.00 0.39 -2.81 0.00 0.00 179.45 177.98 3a7a n GLU 12 N -4.14 1.55 -2.63 1.90 4.71 -1.26 -4.88 120.64 115.88 3a7a n GLU 12 Ca -0.01 -0.71 -0.06 0.00 -0.01 0.00 0.00 57.16 56.37 3a7a n GLU 12 Cb 0.38 -1.25 0.02 0.00 -1.01 0.00 0.00 31.44 29.58 3a7a n GLU 12 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 3a7a n HIS 13 N 0.08 -0.65 -3.51 -0.32 8.25 -0.99 -4.99 115.22 113.08 3a7a n HIS 13 Ca 0.07 0.21 -0.20 0.00 -0.26 0.00 0.00 57.72 57.53 3a7a n HIS 13 Cb 0.22 -2.01 -0.02 0.00 1.12 0.00 0.00 29.99 29.30 3a7a n HIS 13 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3a7a s GLU 14 N -5.10 2.63 0.05 -0.41 8.01 -1.26 -1.96 118.70 120.66 3a7a s GLU 14 Ca 0.12 -1.43 0.02 0.00 0.01 0.00 0.00 54.97 53.69 3a7a s GLU 14 Cb -0.05 -2.47 -0.03 0.00 -4.31 0.00 0.00 34.13 27.27 3a7a s GLU 14 CO 0.15 -0.15 -0.07 1.67 0.01 0.00 0.00 175.26 176.87 3a7a s TRP 15 N -2.41 0.66 -0.10 1.61 1.48 -0.41 -2.37 118.94 117.39 3a7a s TRP 15 Ca 0.48 -0.59 0.01 0.00 -1.06 0.00 0.00 56.10 54.95 3a7a s TRP 15 Cb -0.05 -0.40 0.02 0.00 -1.16 0.00 0.00 33.47 31.88 3a7a s TRP 15 CO 0.29 -0.11 -0.13 -0.51 -4.06 0.00 0.00 176.95 172.42 3a7a s LEU 16 N -1.84 1.63 -0.55 -4.66 1.43 0.10 -2.74 118.68 112.05 3a7a s LEU 16 Ca -0.07 -0.38 -0.06 0.00 -1.03 0.00 0.00 54.13 52.59 3a7a s LEU 16 Cb -0.07 -1.00 0.14 0.00 0.03 0.00 0.00 46.19 45.29 3a7a s LEU 16 CO -0.01 -0.00 0.39 -0.60 0.23 0.00 0.00 176.35 176.36 3a7a s ARG 17 N 1.03 2.51 0.11 1.70 3.52 -0.33 -2.81 118.95 124.68 3a7a s ARG 17 Ca -0.07 -2.14 -0.35 0.00 -0.13 0.00 0.00 55.73 53.04 3a7a s ARG 17 Cb -0.15 -3.82 -0.16 0.00 -1.56 0.00 0.00 34.95 29.26 3a7a s ARG 17 CO -0.01 -1.17 1.28 1.17 -0.81 0.00 0.00 175.30 175.76 3a7a n LYS 18 N 4.20 1.14 -3.10 5.12 3.00 -1.26 -2.47 118.16 124.80 3a7a n LYS 18 Ca 0.02 0.41 -0.19 0.00 -0.00 0.00 0.00 58.31 58.55 3a7a n LYS 18 Cb 0.40 -2.00 0.03 0.00 0.00 0.00 0.00 35.03 33.46 3a7a n LYS 18 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 3a7a s GLU 19 N 0.20 2.55 0.40 1.64 0.41 -0.08 -4.94 118.70 118.87 3a7a s GLU 19 Ca 0.81 -1.48 0.21 0.00 -0.41 0.00 0.00 54.97 54.10 3a7a s GLU 19 Cb -0.92 -2.66 0.75 0.00 -1.78 0.00 0.00 34.13 29.52 3a7a s GLU 19 CO 0.49 -0.55 1.76 0.00 -0.49 0.00 0.00 175.26 176.47 3a7a h ALA 20 N 0.46 1.00 -0.55 5.21 0.00 -1.94 -3.14 119.26 120.31 3a7a h ALA 20 Ca -0.35 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3a7a h ALA 20 Cb 1.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3a7a h ALA 20 CO 0.44 0.40 0.00 -0.40 0.00 0.00 0.00 179.25 179.69 3a7a n ASP 21 N -3.48 3.61 0.00 0.00 5.68 -1.26 -4.97 116.55 116.13 3a7a n ASP 21 Ca -0.00 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.30 3a7a n ASP 21 Cb 0.48 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 3a7a n ASP 21 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a7a n GLY 22 N 1.57 2.69 3.40 6.12 0.00 -1.19 -5.09 105.19 112.69 3a7a n GLY 22 Ca 0.22 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 3a7a n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a7a s THR 23 N -0.71 1.61 -0.21 2.61 -4.23 -1.26 -4.58 115.64 108.86 3a7a s THR 23 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.48 3a7a s THR 23 Cb 0.00 -2.08 0.07 0.00 1.34 0.00 0.00 72.50 71.83 3a7a s THR 23 CO 0.00 0.00 0.07 -0.31 -0.54 0.00 0.00 174.62 173.84 3a7a s TYR 24 N -2.38 0.74 0.25 3.99 1.51 -0.38 -0.91 117.35 120.17 3a7a s TYR 24 Ca 0.69 -0.79 -0.30 0.00 -1.01 0.00 0.00 57.07 55.65 3a7a s TYR 24 Cb -0.19 -0.98 -0.10 0.00 -0.11 0.00 0.00 41.96 40.58 3a7a s TYR 24 CO 0.61 -0.64 1.43 0.99 -1.11 0.00 0.00 175.55 176.83 3a7a s THR 25 N 1.95 2.68 -0.06 -0.71 2.01 -1.03 -1.92 115.64 118.57 3a7a s THR 25 Ca 0.03 0.58 0.04 0.00 0.31 0.00 0.00 61.69 62.65 3a7a s THR 25 Cb -0.17 -3.37 -0.00 0.00 0.01 0.00 0.00 72.50 68.97 3a7a s THR 25 CO -0.15 0.09 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.00 3a7a s VAL 26 N -0.07 1.61 0.08 3.82 1.01 -0.05 -1.19 120.40 125.61 3a7a s VAL 26 Ca 0.59 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 3a7a s VAL 26 Cb -0.42 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.58 3a7a s VAL 26 CO 0.44 0.46 0.12 0.61 0.00 0.00 0.00 175.10 176.73 3a7a n GLY 27 N 3.27 2.77 3.71 4.51 0.00 -1.11 -1.83 105.19 116.51 3a7a n GLY 27 Ca -0.19 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.14 3a7a n GLY 27 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a7a s ILE 28 N -2.55 4.13 0.85 -0.61 -4.36 -1.26 -1.29 121.20 116.10 3a7a s ILE 28 Ca 0.06 -0.98 -0.12 0.00 -0.26 0.00 0.00 60.65 59.36 3a7a s ILE 28 Cb -0.00 -2.99 0.10 0.00 1.25 0.00 0.00 42.46 40.82 3a7a s ILE 28 CO 0.05 0.09 1.12 0.42 0.24 0.00 0.00 174.94 176.85 3a7a s THR 29 N -1.38 2.57 0.49 8.37 -4.23 -0.83 -4.52 115.64 116.11 3a7a s THR 29 Ca 0.27 0.18 0.17 0.00 -1.18 0.00 0.00 61.69 61.13 3a7a s THR 29 Cb -0.12 -2.93 0.31 0.00 1.34 0.00 0.00 72.50 71.11 3a7a s THR 29 CO 0.19 -0.24 2.07 -0.08 -0.54 0.00 0.00 174.62 176.02 3a7a h GLU 30 N -1.29 0.14 -0.21 3.99 4.57 -1.92 -2.37 114.58 117.50 3a7a h GLU 30 Ca -0.49 -0.01 -0.20 0.00 -1.18 0.00 0.00 59.36 57.48 3a7a h GLU 30 Cb 1.30 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.86 3a7a h GLU 30 CO 0.60 0.09 -0.65 1.25 -1.18 0.00 0.00 179.01 179.13 3a7a h HIS 31 N 0.15 1.06 0.54 0.92 2.76 -1.93 -3.21 115.15 115.43 3a7a h HIS 31 Ca 0.13 -0.43 -0.03 0.00 -2.20 0.00 0.00 60.37 57.85 3a7a h HIS 31 Cb 0.34 -0.18 0.01 0.00 1.55 0.00 0.00 27.41 29.12 3a7a h HIS 31 CO -0.00 1.26 -0.26 0.00 -1.30 0.00 0.00 177.93 177.63 3a7a h ALA 32 N 0.60 -0.72 0.00 5.26 0.00 -1.74 -2.80 119.26 119.86 3a7a h ALA 32 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3a7a h ALA 32 Cb 1.27 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3a7a h ALA 32 CO 0.14 -0.86 0.22 -0.56 0.00 0.00 0.00 179.25 178.19 3a7a h GLN 33 N -0.82 0.00 0.24 0.00 -0.00 -1.56 0.27 115.11 113.24 3a7a h GLN 33 Ca -0.07 0.00 -0.34 0.00 -0.00 0.00 0.00 58.65 58.24 3a7a h GLN 33 Cb 0.59 0.00 0.03 0.00 -0.00 0.00 0.00 27.48 28.11 3a7a h GLN 33 CO 0.12 0.00 -1.54 0.93 -0.00 0.00 0.00 178.83 178.34 3a7a h GLU 34 N 0.00 0.51 -0.21 0.06 5.08 -1.50 -3.02 114.58 115.50 3a7a h GLU 34 Ca 0.00 -0.87 -0.03 0.00 -1.00 0.00 0.00 59.36 57.46 3a7a h GLU 34 Cb 0.44 0.32 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 3a7a h GLU 34 CO 0.00 1.42 0.01 -0.07 -1.00 0.00 0.00 179.01 179.37 3a7a h LEU 35 N 0.14 0.35 -0.63 1.33 3.38 -0.41 -3.20 115.31 116.28 3a7a h LEU 35 Ca -0.27 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.33 3a7a h LEU 35 Cb 2.16 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.79 3a7a h LEU 35 CO 0.26 0.56 0.09 -0.07 0.09 0.00 0.00 178.44 179.37 3a7a h LEU 36 N 0.13 1.00 0.00 1.67 3.38 -1.59 -3.49 115.31 116.42 3a7a h LEU 36 Ca 0.06 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3a7a h LEU 36 Cb 0.37 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3a7a h LEU 36 CO 0.01 1.02 0.00 0.61 0.09 0.00 0.00 178.44 180.16 3a7a n GLY 37 N -0.55 -0.72 3.58 0.83 0.00 -1.14 -3.60 105.19 103.58 3a7a n GLY 37 Ca 0.03 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 3a7a n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a7a s ASP 38 N -4.00 5.74 -0.07 1.61 1.01 -1.26 -4.80 116.67 114.90 3a7a s ASP 38 Ca 0.00 0.67 -0.32 0.00 0.71 0.00 0.00 52.55 53.61 3a7a s ASP 38 Cb 0.00 -2.53 -0.10 0.00 1.01 0.00 0.00 42.92 41.30 3a7a s ASP 38 CO 0.00 -1.94 1.97 0.80 0.21 0.00 0.00 175.17 176.20 3a7a n MET 39 N 8.74 2.37 -0.00 8.23 1.56 -1.26 -2.31 117.12 134.44 3a7a n MET 39 Ca 0.19 0.85 0.06 0.00 -0.27 0.00 0.00 57.70 58.52 3a7a n MET 39 Cb 0.49 -2.83 -0.08 0.00 2.15 0.00 0.00 33.22 32.95 3a7a n MET 39 CO 0.00 0.00 0.00 1.55 -0.73 0.00 0.00 175.97 176.79 3a7a n VAL 40 N 5.65 0.00 -3.53 1.12 3.14 -0.81 -3.73 118.33 120.18 3a7a n VAL 40 Ca 0.23 -0.25 -0.11 0.00 -2.96 0.00 0.00 64.34 61.25 3a7a n VAL 40 Cb 0.35 0.31 -0.04 0.00 -1.06 0.00 0.00 33.84 33.40 3a7a n VAL 40 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 3a7a s PHE 41 N -2.70 -0.43 -0.04 1.45 5.36 -0.40 -4.84 117.98 116.38 3a7a s PHE 41 Ca -0.03 0.56 -0.00 0.00 -0.96 0.00 0.00 56.93 56.49 3a7a s PHE 41 Cb 0.07 0.48 0.03 0.00 -0.34 0.00 0.00 43.02 43.26 3a7a s PHE 41 CO 0.46 -0.51 0.01 0.08 -1.46 0.00 0.00 175.22 173.80 3a7a s VAL 42 N -2.03 0.14 -0.54 3.12 1.01 -1.26 -0.73 120.40 120.10 3a7a s VAL 42 Ca -0.01 0.16 -0.18 0.00 0.00 0.00 0.00 61.98 61.96 3a7a s VAL 42 Cb -0.01 -0.28 0.10 0.00 0.00 0.00 0.00 36.38 36.19 3a7a s VAL 42 CO -0.02 0.16 0.59 -0.62 0.00 0.00 0.00 175.10 175.22 3a7a s ASP 43 N 1.38 6.19 0.59 3.32 2.15 0.11 -4.76 116.67 125.65 3a7a s ASP 43 Ca -0.05 -1.39 -0.18 0.00 0.43 0.00 0.00 52.55 51.36 3a7a s ASP 43 Cb -0.13 -2.26 -0.03 0.00 -0.30 0.00 0.00 42.92 40.20 3a7a s ASP 43 CO -0.03 -0.93 1.16 -0.76 -0.17 0.00 0.00 175.17 174.45 3a7a s LEU 44 N 2.24 3.63 0.76 -1.34 1.43 -1.26 -2.68 118.68 121.47 3a7a s LEU 44 Ca 0.09 2.25 -0.11 0.00 -1.03 0.00 0.00 54.13 55.32 3a7a s LEU 44 Cb -0.25 -4.58 0.05 0.00 0.03 0.00 0.00 46.19 41.44 3a7a s LEU 44 CO 0.07 -1.50 1.10 -2.84 0.23 0.00 0.00 176.35 173.40 3a7a s PRO 45 N -3.47 2.40 0.01 1.29 0.02 -1.26 -4.93 135.00 129.06 3a7a s PRO 45 Ca 0.74 0.57 -0.30 0.00 0.02 0.00 0.00 61.00 62.02 3a7a s PRO 45 Cb -0.26 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.25 3a7a s PRO 45 CO 0.33 -1.39 1.20 -2.00 -0.33 0.00 0.00 177.00 174.81 3a7a s GLU 46 N -5.24 4.40 0.03 5.54 2.56 -1.26 -4.97 118.70 119.75 3a7a s GLU 46 Ca 0.60 1.72 -0.30 0.00 0.00 0.00 0.00 54.97 56.98 3a7a s GLU 46 Cb -0.13 -3.45 -0.08 0.00 2.00 0.00 0.00 34.13 32.47 3a7a s GLU 46 CO 0.53 -0.34 1.71 0.08 -0.56 0.00 0.00 175.26 176.69 3a7a s VAL 47 N 1.59 3.19 0.00 3.70 1.01 -1.26 -2.40 120.40 126.23 3a7a s VAL 47 Ca 0.57 0.46 0.00 0.00 0.00 0.00 0.00 61.98 63.01 3a7a s VAL 47 Cb -0.27 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.81 3a7a s VAL 47 CO 0.26 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.95 3a7a n GLY 48 N 4.14 0.89 3.76 4.51 0.00 0.14 -5.01 105.19 113.63 3a7a n GLY 48 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3a7a n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a7a s ALA 49 N -2.03 3.40 -0.08 4.61 0.00 -1.01 -4.77 121.76 121.89 3a7a s ALA 49 Ca 0.00 0.41 -0.22 0.00 0.00 0.00 0.00 51.96 52.16 3a7a s ALA 49 Cb 0.00 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 3a7a s ALA 49 CO 0.00 0.22 0.62 0.99 0.00 0.00 0.00 175.76 177.60 3a7a s THR 50 N -0.92 5.09 0.01 0.00 2.01 -1.26 -2.40 115.64 118.18 3a7a s THR 50 Ca 0.38 1.28 0.02 0.00 0.31 0.00 0.00 61.69 63.67 3a7a s THR 50 Cb -0.23 -3.96 -0.01 0.00 0.01 0.00 0.00 72.50 68.30 3a7a s THR 50 CO 0.27 0.28 -0.06 0.68 -0.69 0.00 0.00 174.62 175.10 3a7a s VAL 51 N 0.70 0.44 0.59 3.82 -7.23 -0.75 -5.03 120.40 112.95 3a7a s VAL 51 Ca 0.34 -0.48 -0.02 0.00 -1.81 0.00 0.00 61.98 60.01 3a7a s VAL 51 Cb -0.17 -0.42 0.04 0.00 0.56 0.00 0.00 36.38 36.39 3a7a s VAL 51 CO 0.16 -0.03 0.85 -0.44 -0.31 0.00 0.00 175.10 175.33 3a7a s SER 52 N -0.56 5.22 0.68 4.85 0.01 -1.26 -1.69 113.70 120.95 3a7a s SER 52 Ca -0.02 0.25 -0.17 0.00 1.31 0.00 0.00 55.95 57.33 3a7a s SER 52 Cb -0.04 -1.11 0.01 0.00 0.21 0.00 0.00 66.02 65.09 3a7a s SER 52 CO -0.00 -1.23 1.22 0.00 0.41 0.00 0.00 173.24 173.64 3a7a s ALA 53 N -2.92 2.28 -0.24 1.44 0.00 -1.17 -2.67 121.76 118.48 3a7a s ALA 53 Ca 0.57 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.50 3a7a s ALA 53 Cb -0.10 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.54 3a7a s ALA 53 CO 0.41 -1.63 0.00 0.41 0.00 0.00 0.00 175.76 174.95 3a7a n GLY 54 N 0.50 0.34 3.74 0.00 0.00 -0.38 -4.96 105.19 104.42 3a7a n GLY 54 Ca 0.14 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3a7a n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a7a s ASP 55 N -2.12 7.49 -0.71 1.61 1.11 -1.09 -4.80 116.67 118.17 3a7a s ASP 55 Ca 0.00 1.89 -0.27 0.00 0.18 0.00 0.00 52.55 54.35 3a7a s ASP 55 Cb 0.00 -2.60 0.03 0.00 1.07 0.00 0.00 42.92 41.42 3a7a s ASP 55 CO 0.00 -0.04 1.31 1.51 1.18 0.00 0.00 175.17 179.13 3a7a s ASP 56 N -0.34 6.14 0.00 0.27 -4.77 -1.26 -0.00 116.67 116.70 3a7a s ASP 56 Ca 0.46 -0.31 0.15 0.00 -3.30 0.00 0.00 52.55 49.55 3a7a s ASP 56 Cb -0.25 -2.56 -0.14 0.00 -1.09 0.00 0.00 42.92 38.88 3a7a s ASP 56 CO 0.31 -1.83 0.66 0.00 0.70 0.00 0.00 175.17 175.02 3a7a s ALA 58 N -2.35 -1.73 -0.03 0.00 0.00 -1.00 -3.98 121.76 112.66 3a7a s ALA 58 Ca 0.07 1.02 0.06 0.00 0.00 0.00 0.00 51.96 53.11 3a7a s ALA 58 Cb 0.12 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.50 3a7a s ALA 58 CO 0.59 -0.54 -0.20 0.08 0.00 0.00 0.00 175.76 175.69 3a7a s VAL 59 N -2.27 2.54 -0.30 0.00 1.01 -1.09 0.25 120.40 120.54 3a7a s VAL 59 Ca -0.04 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.02 3a7a s VAL 59 Cb -0.00 -1.95 0.09 0.00 0.00 0.00 0.00 36.38 34.51 3a7a s VAL 59 CO -0.01 0.57 0.01 0.00 0.00 0.00 0.00 175.10 175.67 3a7a s ALA 60 N -0.68 2.53 -0.51 5.51 0.00 0.12 0.03 121.76 128.76 3a7a s ALA 60 Ca 0.11 -2.10 -0.29 0.00 0.00 0.00 0.00 51.96 49.68 3a7a s ALA 60 Cb -0.10 -1.77 0.03 0.00 0.00 0.00 0.00 23.12 21.27 3a7a s ALA 60 CO -0.00 -1.51 1.19 -2.00 0.00 0.00 0.00 175.76 173.43 3a7a s GLU 61 N 1.10 3.62 0.24 0.00 2.12 0.09 -1.82 118.70 124.05 3a7a s GLU 61 Ca 0.04 0.47 0.04 0.00 0.36 0.00 0.00 54.97 55.88 3a7a s GLU 61 Cb -0.19 -3.96 0.04 0.00 0.26 0.00 0.00 34.13 30.28 3a7a s GLU 61 CO -0.09 -1.52 0.33 0.45 -0.54 0.00 0.00 175.26 173.88 3a7a n SER 62 N 8.19 0.81 0.00 -1.70 2.88 -0.61 -1.28 113.62 121.92 3a7a n SER 62 Ca 0.11 -1.60 0.14 0.00 -1.33 0.00 0.00 58.87 56.19 3a7a n SER 62 Cb 0.49 -0.18 0.62 0.00 -0.75 0.00 0.00 64.21 64.40 3a7a n SER 62 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3a7a n VAL 63 N -1.55 0.03 -0.08 2.46 0.24 -0.98 -3.82 118.33 114.64 3a7a n VAL 63 Ca 0.07 0.01 -0.09 0.00 -2.04 0.00 0.00 64.34 62.28 3a7a n VAL 63 Cb 0.24 -0.52 -0.10 0.00 -1.47 0.00 0.00 33.84 31.99 3a7a n VAL 63 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3a7a n LYS 64 N -1.48 1.20 -3.60 7.34 4.81 -1.24 -5.01 118.16 120.19 3a7a n LYS 64 Ca 0.08 0.04 0.01 0.00 -0.87 0.00 0.00 58.31 57.57 3a7a n LYS 64 Cb 0.32 -1.36 -0.01 0.00 0.02 0.00 0.00 35.03 34.01 3a7a n LYS 64 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3a7a s ALA 65 N -2.34 -2.30 -0.75 3.14 0.00 -1.25 -5.09 121.76 113.16 3a7a s ALA 65 Ca -0.14 1.03 -0.21 0.00 0.00 0.00 0.00 51.96 52.65 3a7a s ALA 65 Cb 0.05 0.17 0.10 0.00 0.00 0.00 0.00 23.12 23.44 3a7a s ALA 65 CO 0.50 -0.94 0.99 0.00 0.00 0.00 0.00 175.76 176.32 3a7a s ALA 66 N -2.26 3.25 0.02 0.00 0.00 -1.26 -1.57 121.76 119.94 3a7a s ALA 66 Ca 0.13 -2.25 -0.11 0.00 0.00 0.00 0.00 51.96 49.74 3a7a s ALA 66 Cb 0.04 -3.89 -0.05 0.00 0.00 0.00 0.00 23.12 19.22 3a7a s ALA 66 CO -0.05 -2.80 0.35 -1.12 0.00 0.00 0.00 175.76 172.15 3a7a s SER 67 N 3.65 6.65 0.27 0.00 0.01 -0.76 -4.88 113.70 118.64 3a7a s SER 67 Ca 0.25 0.78 -0.27 0.00 1.31 0.00 0.00 55.95 58.01 3a7a s SER 67 Cb -0.13 -2.18 -0.09 0.00 0.21 0.00 0.00 66.02 63.83 3a7a s SER 67 CO 0.02 0.26 0.91 -1.81 0.41 0.00 0.00 173.24 173.03 3a7a s ASP 68 N -1.45 7.46 -0.11 2.44 -0.00 -1.26 0.16 116.67 123.90 3a7a s ASP 68 Ca 0.27 1.84 -0.04 0.00 -0.00 0.00 0.00 52.55 54.62 3a7a s ASP 68 Cb -0.14 -2.57 -0.04 0.00 -0.00 0.00 0.00 42.92 40.16 3a7a s ASP 68 CO 0.15 0.06 0.06 -0.63 -0.00 0.00 0.00 175.17 174.81 3a7a s ILE 69 N -1.38 4.82 0.13 0.77 1.01 0.70 -4.87 121.20 122.37 3a7a s ILE 69 Ca 0.44 -0.05 0.08 0.00 0.00 0.00 0.00 60.65 61.13 3a7a s ILE 69 Cb -0.22 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 3a7a s ILE 69 CO 0.27 0.60 -0.13 -0.31 0.00 0.00 0.00 174.94 175.37 3a7a s TYR 70 N -0.81 2.64 -0.38 3.97 2.02 -1.26 -0.87 117.35 122.65 3a7a s TYR 70 Ca 0.13 -0.21 -0.28 0.00 -0.37 0.00 0.00 57.07 56.34 3a7a s TYR 70 Cb -0.12 -1.36 0.02 0.00 -0.40 0.00 0.00 41.96 40.10 3a7a s TYR 70 CO 0.03 0.43 1.02 0.00 -1.57 0.00 0.00 175.55 175.46 3a7a s ALA 71 N -1.31 3.37 0.40 3.71 0.00 1.00 -4.87 121.76 124.06 3a7a s ALA 71 Ca 0.21 -0.35 0.37 0.00 0.00 0.00 0.00 51.96 52.19 3a7a s ALA 71 Cb -0.10 -3.67 1.84 0.00 0.00 0.00 0.00 23.12 21.19 3a7a s ALA 71 CO 0.13 -1.74 2.17 -1.00 0.00 0.00 0.00 175.76 175.32 3a7a h PRO 72 N 8.56 0.00 0.00 0.00 0.13 -1.90 -0.99 132.00 137.79 3a7a h PRO 72 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3a7a h PRO 72 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3a7a h PRO 72 CO 1.03 0.02 0.00 1.33 -0.23 0.00 0.00 178.00 180.16 3a7a n VAL 73 N -3.19 0.00 -4.27 1.56 0.24 -1.26 -4.61 118.33 106.80 3a7a n VAL 73 Ca -0.01 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.95 3a7a n VAL 73 Cb 0.19 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.45 3a7a n VAL 73 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3a7a s SER 74 N -0.63 5.06 0.00 -1.34 0.01 -1.26 -3.07 113.70 112.47 3a7a s SER 74 Ca 0.00 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.20 3a7a s SER 74 Cb 0.00 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.39 3a7a s SER 74 CO 0.00 0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.43 3a7a n GLY 75 N 3.54 -0.63 3.06 3.44 0.00 -0.68 -2.15 105.19 111.77 3a7a n GLY 75 Ca -0.17 -0.57 -0.26 0.00 0.00 0.00 0.00 46.02 45.02 3a7a n GLY 75 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a7a s GLU 76 N -0.52 1.94 -1.20 1.61 2.12 -1.15 -1.81 118.70 119.69 3a7a s GLU 76 Ca 0.00 -0.49 -0.21 0.00 0.36 0.00 0.00 54.97 54.63 3a7a s GLU 76 Cb 0.00 -1.58 -0.01 0.00 0.26 0.00 0.00 34.13 32.80 3a7a s GLU 76 CO 0.00 0.04 1.83 0.42 -0.54 0.00 0.00 175.26 177.01 3a7a s ILE 77 N 0.64 3.80 0.34 -3.70 -1.09 -1.01 -2.65 121.20 117.53 3a7a s ILE 77 Ca -0.15 -1.28 0.03 0.00 -2.23 0.00 0.00 60.65 57.02 3a7a s ILE 77 Cb -0.16 -4.82 0.20 0.00 -1.58 0.00 0.00 42.46 36.10 3a7a s ILE 77 CO 0.04 -1.47 1.93 -0.37 -1.23 0.00 0.00 174.94 173.84 3a7a h VAL 78 N 6.04 1.18 -3.64 2.92 -1.51 -1.79 0.39 116.25 119.83 3a7a h VAL 78 Ca 0.30 -0.57 -0.06 0.00 -1.23 0.00 0.00 66.70 65.15 3a7a h VAL 78 Cb 0.92 0.63 -0.09 0.00 -2.13 0.00 0.00 31.29 30.62 3a7a h VAL 78 CO 1.33 0.22 -0.11 0.00 -1.23 0.00 0.00 177.57 177.78 3a7a s ALA 79 N -5.30 -0.26 0.02 5.19 0.00 -1.26 -4.70 121.76 115.45 3a7a s ALA 79 Ca -0.09 -0.86 -0.05 0.00 0.00 0.00 0.00 51.96 50.95 3a7a s ALA 79 Cb 0.16 1.06 -0.01 0.00 0.00 0.00 0.00 23.12 24.34 3a7a s ALA 79 CO 0.77 -0.85 0.09 0.08 0.00 0.00 0.00 175.76 175.84 3a7a s VAL 80 N -4.01 0.10 -1.23 0.00 1.01 -1.26 -1.84 120.40 113.16 3a7a s VAL 80 Ca 0.22 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 61.24 3a7a s VAL 80 Cb -0.01 -0.55 0.19 0.00 0.00 0.00 0.00 36.38 36.01 3a7a s VAL 80 CO 0.09 -0.47 1.66 -3.20 0.00 0.00 0.00 175.10 173.17 3a7a n ASN 81 N 1.26 5.28 -0.35 3.32 4.05 0.18 -4.81 115.26 124.19 3a7a n ASN 81 Ca -0.22 -3.09 0.00 0.00 0.45 0.00 0.00 54.58 51.72 3a7a n ASN 81 Cb 0.56 -1.48 0.00 0.00 1.23 0.00 0.00 39.78 40.09 3a7a n ASN 81 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 3a7a n ASP 82 N 4.15 0.37 0.18 1.20 5.68 -1.26 -2.04 116.55 124.84 3a7a n ASP 82 Ca 0.37 -1.04 0.13 0.00 -0.50 0.00 0.00 54.79 53.74 3a7a n ASP 82 Cb 0.38 -0.18 0.28 0.00 -1.14 0.00 0.00 41.12 40.45 3a7a n ASP 82 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3a7a h ALA 83 N 1.67 1.00 0.00 2.12 0.00 -1.94 -3.24 119.26 118.88 3a7a h ALA 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a7a h ALA 83 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3a7a h ALA 83 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.18 3a7a h LEU 84 N 0.00 0.00 -1.83 0.00 3.38 -1.54 -0.44 115.31 114.87 3a7a h LEU 84 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3a7a h LEU 84 Cb 0.88 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 3a7a h LEU 84 CO 0.00 0.00 -0.14 0.28 0.09 0.00 0.00 178.44 178.67 3a7a h SER 85 N 0.00 0.00 0.00 -0.43 0.02 -1.79 -3.14 113.55 108.21 3a7a h SER 85 Ca 0.00 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.69 3a7a h SER 85 Cb 0.88 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.38 3a7a h SER 85 CO 0.00 0.14 -1.63 0.47 -1.14 0.00 0.00 176.83 174.67 3a7a n ASP 86 N -3.92 1.90 -4.18 3.07 8.00 -1.09 -4.85 116.55 115.49 3a7a n ASP 86 Ca -0.02 0.41 -0.38 0.00 0.71 0.00 0.00 54.79 55.51 3a7a n ASP 86 Cb 0.24 -0.87 -0.11 0.00 -0.02 0.00 0.00 41.12 40.36 3a7a n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3a7a s SER 87 N -6.84 5.38 0.07 -2.24 0.01 -0.20 -4.94 113.70 104.95 3a7a s SER 87 Ca -0.31 -1.81 -0.08 0.00 1.31 0.00 0.00 55.95 55.06 3a7a s SER 87 Cb 0.09 -1.88 -0.28 0.00 0.21 0.00 0.00 66.02 64.15 3a7a s SER 87 CO 0.48 -0.54 1.12 1.55 0.41 0.00 0.00 173.24 176.27 3a7a h PRO 88 N 8.19 0.40 -0.78 12.44 0.13 -1.83 -3.35 132.00 147.19 3a7a h PRO 88 Ca -0.17 -0.62 0.16 0.00 -0.87 0.00 0.00 66.00 64.49 3a7a h PRO 88 Cb 1.06 0.22 -0.05 0.00 0.13 0.00 0.00 31.00 32.36 3a7a h PRO 88 CO 0.72 1.28 0.52 1.05 -0.23 0.00 0.00 178.00 181.35 3a7a h GLU 89 N 0.13 0.41 -0.96 0.86 9.09 -1.91 -2.86 114.58 119.34 3a7a h GLU 89 Ca -0.17 -0.02 0.40 0.00 0.05 0.00 0.00 59.36 59.62 3a7a h GLU 89 Cb 1.97 -0.09 -0.17 0.00 -1.65 0.00 0.00 28.75 28.81 3a7a h GLU 89 CO 0.22 0.27 0.50 1.28 0.05 0.00 0.00 179.01 181.33 3a7a n LEU 90 N -4.48 0.32 0.19 3.06 4.77 -1.26 0.34 117.00 119.94 3a7a n LEU 90 Ca 0.15 1.59 0.13 0.00 -0.03 0.00 0.00 56.01 57.86 3a7a n LEU 90 Cb 0.56 -0.77 0.68 0.00 -2.33 0.00 0.00 43.42 41.56 3a7a n LEU 90 CO 0.32 -1.78 0.90 0.58 -1.33 0.00 0.00 177.39 176.08 3a7a h VAL 91 N 0.00 0.00 0.03 4.08 2.07 -1.73 0.52 116.25 121.23 3a7a h VAL 91 Ca 0.81 -0.04 -0.37 0.00 0.82 0.00 0.00 66.70 67.91 3a7a h VAL 91 Cb 2.12 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 32.49 3a7a h VAL 91 CO -0.74 0.00 -2.27 0.59 0.02 0.00 0.00 177.57 175.16 3a7a n ASN 92 N -2.41 1.60 -0.06 0.57 5.03 1.03 -4.06 115.26 116.95 3a7a n ASN 92 Ca -0.01 0.02 -0.22 0.00 0.87 0.00 0.00 54.58 55.24 3a7a n ASN 92 Cb 0.07 -0.27 -0.13 0.00 -1.02 0.00 0.00 39.78 38.44 3a7a n ASN 92 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3a7a n SER 93 N -3.22 2.01 -2.73 6.41 3.41 -0.93 -4.56 113.62 114.02 3a7a n SER 93 Ca -0.38 0.23 -0.29 0.00 -0.26 0.00 0.00 58.87 58.17 3a7a n SER 93 Cb 1.04 -0.82 -0.01 0.00 -0.26 0.00 0.00 64.21 64.16 3a7a n SER 93 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3a7a n GLU 94 N -3.80 3.42 -0.23 4.33 1.02 0.18 -4.90 120.64 120.67 3a7a n GLU 94 Ca -0.36 -4.51 -0.03 0.00 -0.02 0.00 0.00 57.16 52.23 3a7a n GLU 94 Cb 0.92 -2.26 0.03 0.00 -0.02 0.00 0.00 31.44 30.11 3a7a n GLU 94 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3a7a h PRO 95 N 2.84 -0.10 0.00 3.49 0.11 -1.69 0.07 132.00 136.72 3a7a h PRO 95 Ca 0.30 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.40 3a7a h PRO 95 Cb 0.66 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.79 3a7a h PRO 95 CO 0.93 -0.07 -0.87 1.88 -0.21 0.00 0.00 178.00 179.67 3a7a h TYR 96 N -0.10 0.00 0.00 0.65 0.05 -1.90 -3.38 116.97 112.28 3a7a h TYR 96 Ca 0.27 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.05 3a7a h TYR 96 Cb 0.55 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.29 3a7a h TYR 96 CO -0.63 0.05 0.00 0.00 -1.05 0.00 0.00 178.16 176.53 3a7a n ALA 97 N -2.18 0.00 0.76 3.88 0.00 -0.24 -4.76 120.51 117.97 3a7a n ALA 97 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3a7a n ALA 97 Cb 0.57 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.15 3a7a n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a7a n GLY 98 N 4.14 1.06 1.61 0.00 0.00 -1.22 -3.94 105.19 106.84 3a7a n GLY 98 Ca 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.70 3a7a n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a7a n GLY 99 N 0.62 2.90 3.69 -0.02 0.00 -0.15 -4.92 105.19 107.30 3a7a n GLY 99 Ca 0.10 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 3a7a n GLY 99 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3a7a s TRP 100 N -2.31 2.19 0.03 1.61 1.48 -1.25 -4.49 118.94 116.20 3a7a s TRP 100 Ca 0.40 1.09 -0.01 0.00 -1.06 0.00 0.00 56.10 56.53 3a7a s TRP 100 Cb 0.31 -3.22 -0.00 0.00 -1.16 0.00 0.00 33.47 29.40 3a7a s TRP 100 CO 0.11 -2.70 -0.01 -0.89 -4.06 0.00 0.00 176.95 169.39 3a7a n ILE 101 N -4.06 0.56 -4.35 0.66 5.41 -0.76 -4.69 119.36 112.13 3a7a n ILE 101 Ca 0.06 0.20 -0.19 0.00 1.00 0.00 0.00 62.75 63.81 3a7a n ILE 101 Cb 0.56 -1.32 -0.09 0.00 -0.71 0.00 0.00 39.64 38.08 3a7a n ILE 101 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 3a7a s PHE 102 N -1.48 1.62 -0.04 1.39 -0.71 -1.13 0.49 117.98 118.12 3a7a s PHE 102 Ca -0.01 -1.36 0.04 0.00 -1.04 0.00 0.00 56.93 54.57 3a7a s PHE 102 Cb 0.00 -0.89 -0.00 0.00 -1.21 0.00 0.00 43.02 40.92 3a7a s PHE 102 CO 0.02 -0.50 -0.17 0.15 -1.34 0.00 0.00 175.22 173.38 3a7a s LYS 103 N -3.81 1.70 0.04 1.99 1.02 -0.77 -0.87 119.74 119.05 3a7a s LYS 103 Ca 0.35 -0.60 0.08 0.00 0.02 0.00 0.00 55.97 55.82 3a7a s LYS 103 Cb 0.05 -1.50 -0.03 0.00 -0.52 0.00 0.00 37.83 35.83 3a7a s LYS 103 CO 0.17 0.26 -0.22 0.42 -0.92 0.00 0.00 175.35 175.06 3a7a s ILE 104 N -0.01 2.50 -0.31 2.17 -1.09 -0.81 -2.18 121.20 121.47 3a7a s ILE 104 Ca -0.02 -1.26 0.03 0.00 -2.23 0.00 0.00 60.65 57.16 3a7a s ILE 104 Cb -0.11 -2.02 0.08 0.00 -1.58 0.00 0.00 42.46 38.84 3a7a s ILE 104 CO 0.02 0.36 -0.00 -0.75 -1.23 0.00 0.00 174.94 173.33 3a7a s LYS 105 N -1.33 1.81 0.60 2.79 2.20 -1.08 -1.25 119.74 123.47 3a7a s LYS 105 Ca 0.13 -1.67 -0.20 0.00 -0.36 0.00 0.00 55.97 53.88 3a7a s LYS 105 Cb -0.10 -3.11 -0.03 0.00 -1.51 0.00 0.00 37.83 33.07 3a7a s LYS 105 CO 0.04 -0.80 1.31 0.00 -0.36 0.00 0.00 175.35 175.53 3a7a s ALA 106 N 1.00 2.59 -0.51 3.13 0.00 -1.26 -2.93 121.76 123.78 3a7a s ALA 106 Ca 0.03 1.24 0.06 0.00 0.00 0.00 0.00 51.96 53.29 3a7a s ALA 106 Cb -0.20 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.37 3a7a s ALA 106 CO -0.06 -1.44 0.46 -1.13 0.00 0.00 0.00 175.76 173.58 3a7a n SER 107 N -1.47 0.86 -3.26 0.00 3.41 -0.91 -4.89 113.62 107.36 3a7a n SER 107 Ca 0.13 -0.93 -0.05 0.00 -0.26 0.00 0.00 58.87 57.76 3a7a n SER 107 Cb 0.47 0.52 -0.04 0.00 -0.26 0.00 0.00 64.21 64.90 3a7a n SER 107 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3a7a s ASP 108 N -1.04 -0.17 0.00 4.04 3.68 -1.26 -5.03 116.67 116.89 3a7a s ASP 108 Ca 0.05 -0.24 0.28 0.00 2.13 0.00 0.00 52.55 54.76 3a7a s ASP 108 Cb 0.05 1.36 1.10 0.00 -1.45 0.00 0.00 42.92 43.98 3a7a s ASP 108 CO 0.16 -0.34 1.77 -0.62 0.13 0.00 0.00 175.17 176.27 3a7a n GLU 109 N 5.36 1.62 0.15 4.34 1.02 -1.26 -3.00 120.64 128.87 3a7a n GLU 109 Ca 0.02 -0.90 0.12 0.00 -0.02 0.00 0.00 57.16 56.38 3a7a n GLU 109 Cb 0.51 -1.48 0.53 0.00 -0.02 0.00 0.00 31.44 30.98 3a7a n GLU 109 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3a7a h SER 110 N 2.19 0.00 0.74 1.62 4.64 -2.03 0.34 113.55 121.05 3a7a h SER 110 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3a7a h SER 110 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3a7a h SER 110 CO 0.00 0.00 -0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 3a7a n GLU 111 N -2.32 0.26 0.13 4.77 1.02 -1.16 -2.74 120.64 120.59 3a7a n GLU 111 Ca 0.01 -0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.25 3a7a n GLU 111 Cb 0.20 -1.50 0.48 0.00 -0.02 0.00 0.00 31.44 30.60 3a7a n GLU 111 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3a7a n LEU 112 N -1.37 0.54 0.06 -4.62 4.77 0.11 -0.66 117.00 115.83 3a7a n LEU 112 Ca 0.11 0.68 0.12 0.00 -0.03 0.00 0.00 56.01 56.89 3a7a n LEU 112 Cb 0.28 -0.66 0.18 0.00 -2.33 0.00 0.00 43.42 40.89 3a7a n LEU 112 CO 0.25 -0.68 0.37 -0.62 -1.33 0.00 0.00 177.39 175.38 3a7a n GLU 113 N -2.15 0.29 0.00 3.23 -0.58 -1.11 -2.25 120.64 118.08 3a7a n GLU 113 Ca 0.01 0.10 0.14 0.00 -0.42 0.00 0.00 57.16 56.98 3a7a n GLU 113 Cb 0.14 -1.70 0.76 0.00 -0.57 0.00 0.00 31.44 30.08 3a7a n GLU 113 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3a7a n SER 114 N -2.13 0.00 -4.58 1.62 7.64 0.17 -4.72 113.62 111.62 3a7a n SER 114 Ca 0.03 -0.50 -0.35 0.00 1.01 0.00 0.00 58.87 59.06 3a7a n SER 114 Cb 0.44 -0.14 -0.11 0.00 -1.01 0.00 0.00 64.21 63.39 3a7a n SER 114 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3a7a s LEU 115 N -2.28 3.69 0.82 -3.43 1.43 -0.95 -4.73 118.68 113.23 3a7a s LEU 115 Ca 0.34 -0.01 -0.12 0.00 -1.03 0.00 0.00 54.13 53.32 3a7a s LEU 115 Cb 0.19 -1.95 0.09 0.00 0.03 0.00 0.00 46.19 44.54 3a7a s LEU 115 CO 0.37 0.11 1.12 -0.76 0.23 0.00 0.00 176.35 177.42 3a7a s LEU 116 N 0.75 2.43 0.00 1.79 1.02 -1.04 -4.82 118.68 118.81 3a7a s LEU 116 Ca 0.03 1.09 0.00 0.00 0.02 0.00 0.00 54.13 55.27 3a7a s LEU 116 Cb -0.13 -3.62 0.00 0.00 0.02 0.00 0.00 46.19 42.46 3a7a s LEU 116 CO 0.02 -2.06 0.00 -0.90 0.02 0.00 0.00 176.35 173.43 3a7a n ASP 117 N -3.46 0.00 0.12 2.29 5.75 -1.26 -2.63 116.55 117.36 3a7a n ASP 117 Ca 0.07 -0.44 -0.05 0.00 -0.01 0.00 0.00 54.79 54.36 3a7a n ASP 117 Cb 0.58 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.65 3a7a n ASP 117 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3a7a h ALA 118 N -0.97 -1.05 0.00 2.12 0.00 -1.69 -3.08 119.26 114.60 3a7a h ALA 118 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3a7a h ALA 118 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3a7a h ALA 118 CO 0.00 -1.03 0.00 0.25 0.00 0.00 0.00 179.25 178.47 3a7a n THR 119 N -2.95 0.00 0.14 0.00 -2.24 -1.26 -2.14 114.28 105.84 3a7a n THR 119 Ca -0.04 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.86 3a7a n THR 119 Cb 0.13 -0.16 0.05 0.00 -2.10 0.00 0.00 70.33 68.25 3a7a n THR 119 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a7a h ALA 120 N 3.24 0.65 0.08 6.98 0.00 -1.91 -3.14 119.26 125.15 3a7a h ALA 120 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 3a7a h ALA 120 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3a7a h ALA 120 CO 0.00 0.00 -1.91 0.98 0.00 0.00 0.00 179.25 178.32 3a7a n TYR 121 N -2.81 1.14 -0.26 0.00 9.36 -0.91 -3.14 117.16 120.54 3a7a n TYR 121 Ca 0.01 0.29 0.06 0.00 3.32 0.00 0.00 57.90 61.58 3a7a n TYR 121 Cb 0.54 -1.17 0.19 0.00 -0.63 0.00 0.00 39.34 38.28 3a7a n TYR 121 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 3a7a h GLU 122 N 0.04 0.46 0.00 2.98 4.39 -1.64 0.26 114.58 121.08 3a7a h GLU 122 Ca -0.38 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.27 3a7a h GLU 122 Cb 2.03 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 30.57 3a7a h GLU 122 CO 0.08 0.30 -0.12 0.00 -1.16 0.00 0.00 179.01 178.12 3a7a h ALA 123 N 1.55 0.99 0.00 3.43 0.00 -1.67 -2.59 119.26 120.97 3a7a h ALA 123 Ca 0.42 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 3a7a h ALA 123 Cb 0.64 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3a7a h ALA 123 CO -0.40 0.15 -0.30 1.25 0.00 0.00 0.00 179.25 179.95 3a7a h LEU 124 N 0.00 0.00 0.00 0.00 5.85 -0.51 -2.95 115.31 117.70 3a7a h LEU 124 Ca -0.00 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.54 3a7a h LEU 124 Cb 0.75 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 3a7a h LEU 124 CO 0.02 0.30 -0.98 -0.07 -0.34 0.00 0.00 178.44 177.36 3a7a h LEU 125 N 0.00 0.00 0.00 2.25 3.38 -0.80 -3.10 115.31 117.04 3a7a h LEU 125 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a7a h LEU 125 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3a7a h LEU 125 CO 0.04 0.76 0.00 -0.62 0.09 0.00 0.00 178.44 178.71 3a7a n GLU 126 N -3.20 0.77 -0.01 1.13 4.71 -1.00 -2.54 120.64 120.51 3a7a n GLU 126 Ca -0.03 0.00 -0.21 0.00 -0.01 0.00 0.00 57.16 56.92 3a7a n GLU 126 Cb 0.87 -1.23 -0.14 0.00 -1.01 0.00 0.00 31.44 29.93 3a7a n GLU 126 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3a7a n ASP 127 N -0.73 2.06 -0.53 1.62 8.00 -1.16 -5.06 116.55 120.75 3a7a n ASP 127 Ca 0.08 0.17 0.14 0.00 0.71 0.00 0.00 54.79 55.89 3a7a n ASP 127 Cb 0.04 -0.77 0.48 0.00 -0.02 0.00 0.00 41.12 40.84 3a7a n ASP 127 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02