#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a7l s ASN 2 N 0.00 6.47 -0.49 4.04 2.47 -1.26 -4.99 114.94 121.18 3a7l s ASN 2 Ca 0.00 2.64 0.03 0.00 0.42 0.00 0.00 52.86 55.95 3a7l s ASN 2 Cb 0.00 -2.54 0.14 0.00 -1.45 0.00 0.00 41.25 37.41 3a7l s ASN 2 CO 0.00 -1.03 0.30 -0.69 -3.72 0.00 0.00 177.10 171.96 3a7l s VAL 3 N 4.10 1.74 0.19 -5.21 1.01 -1.26 -4.41 120.40 116.56 3a7l s VAL 3 Ca 0.85 -2.98 -0.33 0.00 0.00 0.00 0.00 61.98 59.52 3a7l s VAL 3 Cb -0.42 -2.20 -0.15 0.00 0.00 0.00 0.00 36.38 33.62 3a7l s VAL 3 CO 0.39 -0.93 1.34 -2.65 0.00 0.00 0.00 175.10 173.25 3a7l n PRO 4 N 3.13 1.68 0.25 2.72 -0.02 -1.26 -4.84 135.00 136.66 3a7l n PRO 4 Ca 0.12 0.60 0.14 0.00 -2.02 0.00 0.00 63.50 62.34 3a7l n PRO 4 Cb 0.36 -2.22 0.53 0.00 -0.02 0.00 0.00 33.50 32.15 3a7l n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a7l h ALA 5 N 4.21 1.00 0.00 3.55 0.00 -1.99 -3.10 119.26 122.93 3a7l h ALA 5 Ca -0.45 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3a7l h ALA 5 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3a7l h ALA 5 CO 0.76 0.10 -0.32 0.93 0.00 0.00 0.00 179.25 180.72 3a7l h GLU 6 N 0.00 0.00 -7.18 0.00 5.08 -2.01 -3.41 114.58 107.06 3a7l h GLU 6 Ca -0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.87 3a7l h GLU 6 Cb 0.67 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.98 3a7l h GLU 6 CO 0.01 0.00 0.23 -0.51 -1.00 0.00 0.00 179.01 177.74 3a7l s LEU 7 N -5.47 3.23 0.29 1.33 1.43 -1.17 -4.99 118.68 113.33 3a7l s LEU 7 Ca 0.06 0.89 0.06 0.00 -1.03 0.00 0.00 54.13 54.11 3a7l s LEU 7 Cb 0.08 -3.75 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 3a7l s LEU 7 CO 0.69 -1.02 0.36 -0.54 0.23 0.00 0.00 176.35 176.06 3a7l s LYS 8 N -5.04 3.10 0.04 1.70 -0.14 -0.75 -4.01 119.74 114.65 3a7l s LYS 8 Ca 0.54 -1.00 -0.02 0.00 -1.36 0.00 0.00 55.97 54.12 3a7l s LYS 8 Cb -0.11 -2.73 -0.03 0.00 -1.68 0.00 0.00 37.83 33.29 3a7l s LYS 8 CO 0.47 0.24 0.01 0.71 -0.76 0.00 0.00 175.35 176.02 3a7l s TYR 9 N -2.14 0.37 0.29 3.18 1.51 0.11 -0.45 117.35 120.23 3a7l s TYR 9 Ca 0.39 -0.80 0.09 0.00 -1.01 0.00 0.00 57.07 55.74 3a7l s TYR 9 Cb -0.08 -0.27 -0.04 0.00 -0.11 0.00 0.00 41.96 41.45 3a7l s TYR 9 CO 0.29 -0.35 0.07 -1.54 -1.11 0.00 0.00 175.55 172.90 3a7l s SER 10 N -2.43 4.67 0.11 2.29 1.04 -0.11 -0.64 113.70 118.63 3a7l s SER 10 Ca -0.01 -0.66 0.15 0.00 0.48 0.00 0.00 55.95 55.91 3a7l s SER 10 Cb 0.02 -0.85 0.67 0.00 0.10 0.00 0.00 66.02 65.96 3a7l s SER 10 CO -0.07 -0.11 1.47 0.29 0.98 0.00 0.00 173.24 175.79 3a7l n LYS 11 N -1.01 0.07 -0.50 4.02 5.02 -1.26 -1.63 118.16 122.87 3a7l n LYS 11 Ca -0.05 0.39 0.07 0.00 -2.02 0.00 0.00 58.31 56.70 3a7l n LYS 11 Cb 0.60 -1.66 0.28 0.00 -0.02 0.00 0.00 35.03 34.23 3a7l n LYS 11 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3a7l n GLU 12 N -1.79 3.18 -2.76 1.97 -0.58 -1.26 -4.93 120.64 114.47 3a7l n GLU 12 Ca 0.02 -2.22 -0.12 0.00 -0.42 0.00 0.00 57.16 54.42 3a7l n GLU 12 Cb 0.14 -1.78 0.02 0.00 -0.57 0.00 0.00 31.44 29.25 3a7l n GLU 12 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3a7l n HIS 13 N 0.80 -1.13 -4.04 -0.32 8.25 -0.64 -4.98 115.22 113.16 3a7l n HIS 13 Ca 0.20 0.34 -0.27 0.00 -0.26 0.00 0.00 57.72 57.73 3a7l n HIS 13 Cb 0.74 -2.85 -0.05 0.00 1.12 0.00 0.00 29.99 28.94 3a7l n HIS 13 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3a7l s GLU 14 N -5.28 3.05 0.24 -0.41 2.02 -1.25 -1.67 118.70 115.41 3a7l s GLU 14 Ca 0.20 -0.75 0.11 0.00 0.02 0.00 0.00 54.97 54.54 3a7l s GLU 14 Cb -0.09 -2.76 -0.05 0.00 0.10 0.00 0.00 34.13 31.34 3a7l s GLU 14 CO 0.24 0.51 -0.13 1.67 0.02 0.00 0.00 175.26 177.58 3a7l s TRP 15 N -1.68 2.48 -0.01 1.61 1.48 -0.12 -0.93 118.94 121.77 3a7l s TRP 15 Ca 0.32 -0.28 0.03 0.00 -1.06 0.00 0.00 56.10 55.10 3a7l s TRP 15 Cb -0.11 -1.13 -0.00 0.00 -1.16 0.00 0.00 33.47 31.07 3a7l s TRP 15 CO 0.25 0.62 -0.08 -0.51 -4.06 0.00 0.00 176.95 173.16 3a7l s LEU 16 N -3.31 1.98 -0.11 -4.66 1.02 0.41 -2.23 118.68 111.78 3a7l s LEU 16 Ca 0.28 -0.15 -0.00 0.00 0.02 0.00 0.00 54.13 54.28 3a7l s LEU 16 Cb -0.07 -0.44 0.02 0.00 0.02 0.00 0.00 46.19 45.73 3a7l s LEU 16 CO 0.16 0.09 -0.09 -0.60 0.02 0.00 0.00 176.35 175.94 3a7l s ARG 17 N -0.13 1.59 0.07 1.70 3.52 -0.05 -1.80 118.95 123.84 3a7l s ARG 17 Ca 0.02 -0.29 -0.31 0.00 -0.13 0.00 0.00 55.73 55.03 3a7l s ARG 17 Cb -0.04 -1.60 -0.06 0.00 -1.56 0.00 0.00 34.95 31.69 3a7l s ARG 17 CO -0.00 -0.23 1.28 0.21 -0.81 0.00 0.00 175.30 175.75 3a7l s LYS 18 N 1.57 4.38 0.54 5.12 2.20 -1.26 -0.87 119.74 131.41 3a7l s LYS 18 Ca 0.03 1.89 0.02 0.00 -0.36 0.00 0.00 55.97 57.54 3a7l s LYS 18 Cb -0.13 -3.34 0.03 0.00 -1.51 0.00 0.00 37.83 32.89 3a7l s LYS 18 CO -0.07 -0.35 0.75 -1.21 -0.36 0.00 0.00 175.35 174.11 3a7l s GLU 19 N 1.21 2.58 0.41 4.03 0.41 0.83 -4.95 118.70 123.22 3a7l s GLU 19 Ca 0.61 -0.82 0.11 0.00 -0.41 0.00 0.00 54.97 54.46 3a7l s GLU 19 Cb -0.32 -2.52 0.94 0.00 -1.78 0.00 0.00 34.13 30.46 3a7l s GLU 19 CO 0.29 -0.66 1.97 0.00 -0.49 0.00 0.00 175.26 176.37 3a7l h ALA 20 N 0.13 1.92 -0.01 5.21 0.00 -1.96 -0.37 119.26 124.18 3a7l h ALA 20 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3a7l h ALA 20 Cb 1.29 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3a7l h ALA 20 CO 0.52 -0.05 -0.02 -0.40 0.00 0.00 0.00 179.25 179.30 3a7l n ASP 21 N -4.48 0.90 0.00 0.00 5.68 -1.26 -4.93 116.55 112.46 3a7l n ASP 21 Ca 0.10 -1.22 0.00 0.00 -0.50 0.00 0.00 54.79 53.17 3a7l n ASP 21 Cb 0.33 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 3a7l n ASP 21 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a7l n GLY 22 N 1.14 1.19 3.75 6.12 0.00 -0.15 -5.07 105.19 112.17 3a7l n GLY 22 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 3a7l n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a7l s THR 23 N -2.32 2.95 -0.08 2.61 -4.23 -1.26 -4.69 115.64 108.63 3a7l s THR 23 Ca 0.00 0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 3a7l s THR 23 Cb 0.00 -2.76 -0.03 0.00 1.34 0.00 0.00 72.50 71.05 3a7l s THR 23 CO 0.00 -0.36 -0.07 -0.31 -0.54 0.00 0.00 174.62 173.33 3a7l s TYR 24 N -2.64 2.93 -0.09 3.99 2.02 -0.26 -0.12 117.35 123.18 3a7l s TYR 24 Ca 0.65 -0.08 -0.11 0.00 -0.37 0.00 0.00 57.07 57.15 3a7l s TYR 24 Cb -0.20 -1.75 -0.05 0.00 -0.40 0.00 0.00 41.96 39.56 3a7l s TYR 24 CO 0.52 0.23 0.26 0.99 -1.57 0.00 0.00 175.55 175.99 3a7l s THR 25 N -0.55 5.30 -0.04 -0.71 2.01 -0.05 -0.60 115.64 121.00 3a7l s THR 25 Ca 0.08 0.50 0.04 0.00 0.31 0.00 0.00 61.69 62.62 3a7l s THR 25 Cb -0.12 -3.56 -0.00 0.00 0.01 0.00 0.00 72.50 68.83 3a7l s THR 25 CO 0.02 0.54 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.64 3a7l s VAL 26 N -0.63 1.39 0.00 3.82 1.01 0.25 -0.88 120.40 125.37 3a7l s VAL 26 Ca 0.18 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3a7l s VAL 26 Cb -0.14 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.05 3a7l s VAL 26 CO 0.07 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.18 3a7l n GLY 27 N 3.10 3.59 3.74 4.51 0.00 -0.95 -0.62 105.19 118.57 3a7l n GLY 27 Ca -0.18 -1.33 -0.24 0.00 0.00 0.00 0.00 46.02 44.27 3a7l n GLY 27 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a7l s ILE 28 N -2.19 4.04 0.79 -0.61 -4.36 -1.26 -0.94 121.20 116.66 3a7l s ILE 28 Ca 0.00 -1.49 -0.12 0.00 -0.26 0.00 0.00 60.65 58.78 3a7l s ILE 28 Cb 0.00 -3.13 0.07 0.00 1.25 0.00 0.00 42.46 40.65 3a7l s ILE 28 CO 0.00 -0.27 1.16 0.42 0.24 0.00 0.00 174.94 176.49 3a7l s THR 29 N -2.04 2.31 0.22 8.37 -4.23 -0.67 -4.61 115.64 114.99 3a7l s THR 29 Ca 0.31 0.09 -0.08 0.00 -1.18 0.00 0.00 61.69 60.82 3a7l s THR 29 Cb -0.08 -3.10 0.16 0.00 1.34 0.00 0.00 72.50 70.82 3a7l s THR 29 CO 0.22 -0.13 1.82 -0.08 -0.54 0.00 0.00 174.62 175.91 3a7l h GLU 30 N -0.96 0.72 -0.64 3.99 4.57 -1.93 -1.31 114.58 119.02 3a7l h GLU 30 Ca -0.46 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 57.71 3a7l h GLU 30 Cb 1.31 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 29.70 3a7l h GLU 30 CO 0.65 0.48 0.39 1.25 -1.18 0.00 0.00 179.01 180.60 3a7l h HIS 31 N 0.74 0.72 -0.12 0.92 2.76 -1.93 -1.68 115.15 116.58 3a7l h HIS 31 Ca 0.31 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.50 3a7l h HIS 31 Cb 0.18 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 3a7l h HIS 31 CO -0.07 0.41 0.07 0.00 -1.30 0.00 0.00 177.93 177.04 3a7l h ALA 32 N 1.28 0.15 -0.23 5.26 0.00 -1.68 -1.91 119.26 122.14 3a7l h ALA 32 Ca 0.26 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3a7l h ALA 32 Cb 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3a7l h ALA 32 CO -0.11 -0.33 -0.20 -0.56 0.00 0.00 0.00 179.25 178.05 3a7l h GLN 33 N 0.11 0.40 -0.77 0.00 -0.00 -1.11 -1.66 115.11 112.09 3a7l h GLN 33 Ca 0.04 -0.13 -0.04 0.00 -0.00 0.00 0.00 58.65 58.52 3a7l h GLN 33 Cb 0.05 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.48 27.46 3a7l h GLN 33 CO -0.01 0.59 0.34 1.49 -0.00 0.00 0.00 178.83 181.24 3a7l h GLU 34 N 0.37 1.13 -0.21 0.06 4.57 -0.98 -0.94 114.58 118.58 3a7l h GLU 34 Ca 0.06 -0.19 -0.19 0.00 -1.18 0.00 0.00 59.36 57.87 3a7l h GLU 34 Cb 0.56 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 3a7l h GLU 34 CO 0.04 0.90 -0.62 -0.07 -1.18 0.00 0.00 179.01 178.07 3a7l h LEU 35 N 1.10 0.82 -0.67 1.64 3.38 -1.02 -3.18 115.31 117.38 3a7l h LEU 35 Ca 0.26 -0.47 -0.11 0.00 0.09 0.00 0.00 57.88 57.64 3a7l h LEU 35 Cb 0.17 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3a7l h LEU 35 CO -0.03 1.24 -0.19 -0.07 0.09 0.00 0.00 178.44 179.49 3a7l h LEU 36 N 0.53 0.84 0.00 1.67 3.38 -1.10 -3.50 115.31 117.14 3a7l h LEU 36 Ca -0.01 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3a7l h LEU 36 Cb 1.22 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3a7l h LEU 36 CO 0.13 1.02 0.00 0.61 0.09 0.00 0.00 178.44 180.28 3a7l n GLY 37 N -0.26 -1.70 3.63 0.83 0.00 -0.38 -4.45 105.19 102.87 3a7l n GLY 37 Ca 0.00 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 3a7l n GLY 37 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a7l s ASP 38 N -4.00 6.25 0.27 1.61 3.68 -1.26 -4.82 116.67 118.40 3a7l s ASP 38 Ca 0.00 1.89 -0.30 0.00 2.13 0.00 0.00 52.55 56.28 3a7l s ASP 38 Cb 0.00 -2.53 -0.09 0.00 -1.45 0.00 0.00 42.92 38.85 3a7l s ASP 38 CO 0.00 -1.32 1.08 -0.32 0.13 0.00 0.00 175.17 174.74 3a7l s MET 39 N 4.88 4.66 0.00 4.34 1.75 -1.26 -1.51 119.30 132.16 3a7l s MET 39 Ca 0.79 1.77 0.00 0.00 -1.25 0.00 0.00 55.69 57.00 3a7l s MET 39 Cb -0.30 -3.20 0.00 0.00 2.84 0.00 0.00 34.83 34.17 3a7l s MET 39 CO 0.32 0.24 0.00 1.33 -0.65 0.00 0.00 175.02 176.27 3a7l n VAL 40 N 1.26 0.00 -3.63 10.11 0.24 0.65 -4.18 118.33 122.78 3a7l n VAL 40 Ca -0.01 -0.20 -0.11 0.00 -2.04 0.00 0.00 64.34 61.98 3a7l n VAL 40 Cb 0.45 0.69 -0.07 0.00 -1.47 0.00 0.00 33.84 33.44 3a7l n VAL 40 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3a7l s PHE 41 N -1.21 -0.87 -0.16 6.34 5.36 -0.76 -4.85 117.98 121.83 3a7l s PHE 41 Ca 0.00 1.96 0.00 0.00 -0.96 0.00 0.00 56.93 57.93 3a7l s PHE 41 Cb 0.00 0.40 0.03 0.00 -0.34 0.00 0.00 43.02 43.11 3a7l s PHE 41 CO 0.00 -0.42 -0.11 0.08 -1.46 0.00 0.00 175.22 173.31 3a7l s VAL 42 N 0.80 1.42 -0.33 3.12 1.01 -1.26 -0.45 120.40 124.71 3a7l s VAL 42 Ca -0.03 -0.66 -0.22 0.00 0.00 0.00 0.00 61.98 61.07 3a7l s VAL 42 Cb -0.05 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 34.90 3a7l s VAL 42 CO -0.06 0.32 0.72 -0.62 0.00 0.00 0.00 175.10 175.46 3a7l s ASP 43 N 1.53 6.55 0.14 3.32 3.68 0.23 -4.76 116.67 127.36 3a7l s ASP 43 Ca 0.03 0.44 -0.06 0.00 2.13 0.00 0.00 52.55 55.09 3a7l s ASP 43 Cb -0.14 -2.37 -0.06 0.00 -1.45 0.00 0.00 42.92 38.90 3a7l s ASP 43 CO -0.09 -0.61 0.40 -0.76 0.13 0.00 0.00 175.17 174.24 3a7l s LEU 44 N 2.87 4.27 0.96 -1.34 1.43 -1.26 -1.97 118.68 123.64 3a7l s LEU 44 Ca 0.29 0.66 -0.12 0.00 -1.03 0.00 0.00 54.13 53.93 3a7l s LEU 44 Cb -0.14 -3.29 0.17 0.00 0.03 0.00 0.00 46.19 42.96 3a7l s LEU 44 CO 0.14 0.06 1.10 -2.16 0.23 0.00 0.00 176.35 175.72 3a7l s PRO 45 N -2.54 0.71 -0.07 1.29 0.04 -1.18 -4.95 135.00 128.30 3a7l s PRO 45 Ca 0.40 0.54 -0.27 0.00 0.04 0.00 0.00 61.00 61.71 3a7l s PRO 45 Cb -0.12 -1.77 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 3a7l s PRO 45 CO 0.23 -2.54 0.89 -2.00 0.04 0.00 0.00 177.00 173.62 3a7l s GLU 46 N -5.01 4.45 0.20 4.56 2.12 -1.26 -4.91 118.70 118.86 3a7l s GLU 46 Ca 0.65 1.21 -0.32 0.00 0.36 0.00 0.00 54.97 56.86 3a7l s GLU 46 Cb -0.18 -3.50 -0.13 0.00 0.26 0.00 0.00 34.13 30.59 3a7l s GLU 46 CO 0.57 -0.13 1.60 0.28 -0.54 0.00 0.00 175.26 177.04 3a7l n VAL 47 N 4.16 0.27 0.00 3.70 0.31 -1.26 -1.63 118.33 123.88 3a7l n VAL 47 Ca 0.04 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3a7l n VAL 47 Cb 0.50 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 3a7l n VAL 47 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3a7l n GLY 48 N 3.23 0.73 3.76 2.92 0.00 0.93 -5.03 105.19 111.74 3a7l n GLY 48 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3a7l n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a7l s ALA 49 N -2.24 3.10 -0.19 4.61 0.00 -0.64 -4.73 121.76 121.66 3a7l s ALA 49 Ca 0.00 1.33 -0.07 0.00 0.00 0.00 0.00 51.96 53.22 3a7l s ALA 49 Cb 0.00 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 3a7l s ALA 49 CO 0.00 -1.12 0.05 0.99 0.00 0.00 0.00 175.76 175.68 3a7l s THR 50 N -1.27 4.62 0.11 0.00 2.01 -1.26 -0.60 115.64 119.24 3a7l s THR 50 Ca 0.63 -0.09 0.07 0.00 0.31 0.00 0.00 61.69 62.61 3a7l s THR 50 Cb -0.40 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 3a7l s THR 50 CO 0.50 0.44 -0.17 0.68 -0.69 0.00 0.00 174.62 175.38 3a7l s VAL 51 N 0.58 1.48 0.19 3.82 -7.23 0.20 -5.00 120.40 114.44 3a7l s VAL 51 Ca 0.03 -1.58 -0.03 0.00 -1.81 0.00 0.00 61.98 58.58 3a7l s VAL 51 Cb -0.13 -1.47 -0.05 0.00 0.56 0.00 0.00 36.38 35.29 3a7l s VAL 51 CO 0.01 -0.23 0.41 -0.44 -0.31 0.00 0.00 175.10 174.54 3a7l s SER 52 N -2.12 6.43 0.11 4.85 0.01 -1.26 -0.97 113.70 120.75 3a7l s SER 52 Ca 0.06 0.51 -0.35 0.00 1.31 0.00 0.00 55.95 57.48 3a7l s SER 52 Cb -0.08 -2.06 -0.15 0.00 0.21 0.00 0.00 66.02 63.94 3a7l s SER 52 CO 0.04 -0.03 1.49 0.00 0.41 0.00 0.00 173.24 175.14 3a7l n ALA 53 N -0.44 0.29 0.00 1.44 0.00 -1.25 -1.17 120.51 119.38 3a7l n ALA 53 Ca -0.03 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3a7l n ALA 53 Cb 0.53 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.75 3a7l n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a7l n GLY 54 N 3.08 1.18 3.75 0.00 0.00 0.61 -4.92 105.19 108.89 3a7l n GLY 54 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3a7l n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a7l s ASP 55 N -2.76 6.75 0.11 1.61 1.01 -0.32 -4.70 116.67 118.37 3a7l s ASP 55 Ca 0.00 2.60 -0.31 0.00 0.71 0.00 0.00 52.55 55.55 3a7l s ASP 55 Cb 0.00 -2.63 -0.08 0.00 1.01 0.00 0.00 42.92 41.23 3a7l s ASP 55 CO 0.00 -0.61 1.41 1.51 0.21 0.00 0.00 175.17 177.69 3a7l s ASP 56 N 0.14 6.81 0.00 0.27 3.84 -1.26 -0.55 116.67 125.92 3a7l s ASP 56 Ca 0.56 2.33 0.00 0.00 -0.00 0.00 0.00 52.55 55.44 3a7l s ASP 56 Cb -0.40 -2.58 0.00 0.00 -1.38 0.00 0.00 42.92 38.56 3a7l s ASP 56 CO 0.44 -0.68 0.01 0.00 -0.00 0.00 0.00 175.17 174.95 3a7l s ALA 58 N -0.04 0.25 -0.02 0.00 0.00 -0.96 -3.11 121.76 117.88 3a7l s ALA 58 Ca 0.00 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 50.90 3a7l s ALA 58 Cb 0.00 0.97 0.01 0.00 0.00 0.00 0.00 23.12 24.10 3a7l s ALA 58 CO 0.00 -0.65 -0.06 0.08 0.00 0.00 0.00 175.76 175.13 3a7l s VAL 59 N -4.01 0.54 -0.19 0.00 1.01 -0.83 -0.36 120.40 116.55 3a7l s VAL 59 Ca 0.22 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 3a7l s VAL 59 Cb 0.04 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 3a7l s VAL 59 CO 0.03 0.18 -0.02 0.00 0.00 0.00 0.00 175.10 175.30 3a7l s ALA 60 N 0.31 2.99 -0.07 5.51 0.00 -0.54 -0.60 121.76 129.36 3a7l s ALA 60 Ca -0.04 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 51.00 3a7l s ALA 60 Cb -0.08 -1.70 -0.00 0.00 0.00 0.00 0.00 23.12 21.34 3a7l s ALA 60 CO -0.00 -0.07 -0.20 -2.00 0.00 0.00 0.00 175.76 173.48 3a7l s GLU 61 N 0.87 2.35 0.28 0.00 2.12 0.40 -0.91 118.70 123.82 3a7l s GLU 61 Ca 0.00 -0.73 0.02 0.00 0.36 0.00 0.00 54.97 54.63 3a7l s GLU 61 Cb -0.14 -1.91 0.02 0.00 0.26 0.00 0.00 34.13 32.36 3a7l s GLU 61 CO 0.02 0.21 0.20 -1.13 -0.54 0.00 0.00 175.26 174.02 3a7l n SER 62 N 3.35 1.93 0.31 -1.70 3.41 0.61 -0.25 113.62 121.27 3a7l n SER 62 Ca -0.19 -1.97 0.20 0.00 -0.26 0.00 0.00 58.87 56.65 3a7l n SER 62 Cb 0.52 -0.01 1.01 0.00 -0.26 0.00 0.00 64.21 65.48 3a7l n SER 62 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 3a7l h VAL 63 N 0.61 0.00 0.00 -3.33 -1.51 -1.54 -3.29 116.25 107.19 3a7l h VAL 63 Ca -0.18 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.12 3a7l h VAL 63 Cb 0.65 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 3a7l h VAL 63 CO 0.28 0.00 -0.37 2.29 -1.23 0.00 0.00 177.57 178.54 3a7l n LYS 64 N -3.03 3.69 -3.75 5.19 2.85 -1.26 -5.10 118.16 116.74 3a7l n LYS 64 Ca -0.02 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.15 3a7l n LYS 64 Cb 0.15 -0.64 -0.03 0.00 -0.65 0.00 0.00 35.03 33.86 3a7l n LYS 64 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3a7l s ALA 65 N -1.20 -1.06 0.01 0.58 0.00 -1.24 -5.15 121.76 113.70 3a7l s ALA 65 Ca 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 51.96 51.71 3a7l s ALA 65 Cb 0.00 0.88 -0.00 0.00 0.00 0.00 0.00 23.12 23.99 3a7l s ALA 65 CO 0.00 -0.87 0.10 0.00 0.00 0.00 0.00 175.76 174.99 3a7l s ALA 66 N -3.88 -0.21 -0.06 0.00 0.00 -1.26 -0.29 121.76 116.07 3a7l s ALA 66 Ca 0.10 -0.28 -0.05 0.00 0.00 0.00 0.00 51.96 51.72 3a7l s ALA 66 Cb -0.02 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.25 3a7l s ALA 66 CO -0.01 -0.21 0.16 0.45 0.00 0.00 0.00 175.76 176.15 3a7l s SER 67 N -1.51 -0.16 0.53 0.00 0.15 -0.08 -5.00 113.70 107.63 3a7l s SER 67 Ca -0.14 0.32 -0.22 0.00 0.70 0.00 0.00 55.95 56.61 3a7l s SER 67 Cb -0.07 0.31 -0.05 0.00 -1.71 0.00 0.00 66.02 64.50 3a7l s SER 67 CO 0.00 -0.07 1.34 -1.81 1.20 0.00 0.00 173.24 173.90 3a7l s ASP 68 N 0.22 5.42 -0.15 5.45 1.01 -1.26 -1.47 116.67 125.89 3a7l s ASP 68 Ca -0.01 2.71 0.01 0.00 0.71 0.00 0.00 52.55 55.98 3a7l s ASP 68 Cb -0.02 -2.63 0.01 0.00 1.01 0.00 0.00 42.92 41.28 3a7l s ASP 68 CO -0.01 -1.47 -0.19 -0.63 0.21 0.00 0.00 175.17 173.09 3a7l s ILE 69 N -1.33 2.33 0.06 0.77 1.01 0.52 -4.89 121.20 119.67 3a7l s ILE 69 Ca 0.70 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 60.47 3a7l s ILE 69 Cb -0.39 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 3a7l s ILE 69 CO 0.46 0.53 0.21 -0.31 0.00 0.00 0.00 174.94 175.83 3a7l s TYR 70 N 0.84 3.50 -0.03 3.97 1.51 -1.26 -1.14 117.35 124.74 3a7l s TYR 70 Ca -0.06 0.24 -0.30 0.00 -1.01 0.00 0.00 57.07 55.94 3a7l s TYR 70 Cb -0.15 -1.75 -0.06 0.00 -0.11 0.00 0.00 41.96 39.88 3a7l s TYR 70 CO -0.02 0.58 1.71 0.00 -1.11 0.00 0.00 175.55 176.72 3a7l s ALA 71 N -1.51 3.61 -0.18 3.71 0.00 0.29 -4.87 121.76 122.81 3a7l s ALA 71 Ca 0.35 1.02 0.24 0.00 0.00 0.00 0.00 51.96 53.57 3a7l s ALA 71 Cb -0.13 -3.76 0.62 0.00 0.00 0.00 0.00 23.12 19.85 3a7l s ALA 71 CO 0.28 -1.42 1.70 -1.00 0.00 0.00 0.00 175.76 175.32 3a7l h PRO 72 N 9.68 0.00 -4.59 0.00 0.13 -1.91 0.17 132.00 135.48 3a7l h PRO 72 Ca -0.41 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.49 3a7l h PRO 72 Cb 1.19 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 3a7l h PRO 72 CO 0.95 0.12 -0.66 0.14 -0.23 0.00 0.00 178.00 178.31 3a7l s VAL 73 N -3.34 0.42 0.45 1.56 -7.23 -1.26 -4.72 120.40 106.27 3a7l s VAL 73 Ca 0.04 -1.93 -0.21 0.00 -1.81 0.00 0.00 61.98 58.06 3a7l s VAL 73 Cb 0.07 -2.00 -0.09 0.00 0.56 0.00 0.00 36.38 34.92 3a7l s VAL 73 CO 0.65 -0.55 1.02 -0.44 -0.31 0.00 0.00 175.10 175.47 3a7l s SER 74 N -3.09 6.59 0.00 4.85 0.01 -1.26 -3.86 113.70 116.93 3a7l s SER 74 Ca 0.21 1.91 0.00 0.00 1.31 0.00 0.00 55.95 59.38 3a7l s SER 74 Cb 0.07 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.73 3a7l s SER 74 CO 0.01 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.66 3a7l n GLY 75 N -0.16 -0.77 3.56 3.44 0.00 -0.14 -1.24 105.19 109.89 3a7l n GLY 75 Ca 0.08 -1.19 -0.34 0.00 0.00 0.00 0.00 46.02 44.56 3a7l n GLY 75 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a7l s GLU 76 N -2.00 3.37 -0.18 1.61 2.12 -0.61 -0.63 118.70 122.38 3a7l s GLU 76 Ca 0.00 -0.49 -0.29 0.00 0.36 0.00 0.00 54.97 54.55 3a7l s GLU 76 Cb 0.00 -2.85 -0.02 0.00 0.26 0.00 0.00 34.13 31.52 3a7l s GLU 76 CO 0.00 0.42 1.40 0.42 -0.54 0.00 0.00 175.26 176.97 3a7l s ILE 77 N -0.13 4.02 -0.51 -3.70 -1.09 0.23 -0.89 121.20 119.14 3a7l s ILE 77 Ca 0.03 1.21 0.16 0.00 -2.23 0.00 0.00 60.65 59.82 3a7l s ILE 77 Cb -0.13 -3.88 -0.20 0.00 -1.58 0.00 0.00 42.46 36.67 3a7l s ILE 77 CO 0.02 -0.22 0.57 1.33 -1.23 0.00 0.00 174.94 175.41 3a7l n VAL 78 N 5.73 0.00 -3.52 2.92 0.24 -0.02 -0.05 118.33 123.64 3a7l n VAL 78 Ca 0.16 -0.21 -0.14 0.00 -2.04 0.00 0.00 64.34 62.11 3a7l n VAL 78 Cb 0.45 0.71 -0.05 0.00 -1.47 0.00 0.00 33.84 33.49 3a7l n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a7l s ALA 79 N -2.70 -1.80 0.10 2.33 0.00 -1.21 -4.87 121.76 113.61 3a7l s ALA 79 Ca 0.02 1.23 0.04 0.00 0.00 0.00 0.00 51.96 53.24 3a7l s ALA 79 Cb 0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 3a7l s ALA 79 CO 0.66 -0.46 -0.10 0.14 0.00 0.00 0.00 175.76 176.00 3a7l s VAL 80 N -1.83 0.92 -0.98 0.00 -7.23 -1.26 -0.91 120.40 109.11 3a7l s VAL 80 Ca -0.04 -1.66 -0.19 0.00 -1.81 0.00 0.00 61.98 58.28 3a7l s VAL 80 Cb -0.00 -1.38 0.12 0.00 0.56 0.00 0.00 36.38 35.68 3a7l s VAL 80 CO 0.01 -0.58 1.21 0.21 -0.31 0.00 0.00 175.10 175.65 3a7l s ASN 81 N -2.48 6.66 0.63 4.85 3.84 -0.38 -4.82 114.94 123.23 3a7l s ASN 81 Ca 0.06 -2.08 0.41 0.00 0.21 0.00 0.00 52.86 51.46 3a7l s ASN 81 Cb -0.02 -2.42 2.10 0.00 -0.55 0.00 0.00 41.25 40.35 3a7l s ASN 81 CO -0.00 -1.09 2.26 0.44 -2.79 0.00 0.00 177.10 175.92 3a7l h ASP 82 N 8.75 0.00 0.09 -4.21 3.32 -1.94 -1.18 116.42 121.24 3a7l h ASP 82 Ca 0.19 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 3a7l h ASP 82 Cb 1.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.55 3a7l h ASP 82 CO 1.17 0.01 -0.04 0.00 -1.72 0.00 0.00 179.24 178.66 3a7l h ALA 83 N 1.99 1.52 0.00 3.45 0.00 -1.96 -2.11 119.26 122.15 3a7l h ALA 83 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3a7l h ALA 83 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3a7l h ALA 83 CO 0.00 0.04 0.00 -0.07 0.00 0.00 0.00 179.25 179.22 3a7l h LEU 84 N 0.00 0.00 -1.13 0.00 3.38 -1.43 0.01 115.31 116.14 3a7l h LEU 84 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3a7l h LEU 84 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3a7l h LEU 84 CO 0.00 0.00 -0.41 0.28 0.09 0.00 0.00 178.44 178.40 3a7l h SER 85 N 0.00 0.00 0.00 -0.43 0.02 -1.56 -2.90 113.55 108.68 3a7l h SER 85 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3a7l h SER 85 Cb 0.41 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 3a7l h SER 85 CO 0.00 0.41 -1.48 0.47 -1.14 0.00 0.00 176.83 175.09 3a7l n ASP 86 N -3.88 2.71 -3.15 3.07 8.00 -1.06 -4.77 116.55 117.47 3a7l n ASP 86 Ca -0.01 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.26 3a7l n ASP 86 Cb 0.46 1.39 -0.05 0.00 -0.02 0.00 0.00 41.12 42.90 3a7l n ASP 86 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3a7l n SER 87 N -1.90 2.08 0.29 -2.24 7.64 -0.03 -4.93 113.62 114.53 3a7l n SER 87 Ca -0.03 -3.20 0.19 0.00 1.01 0.00 0.00 58.87 56.84 3a7l n SER 87 Cb 0.31 -0.61 0.89 0.00 -1.01 0.00 0.00 64.21 63.79 3a7l n SER 87 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3a7l h PRO 88 N 3.30 0.00 0.00 1.43 0.13 -1.73 -1.92 132.00 133.21 3a7l h PRO 88 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3a7l h PRO 88 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3a7l h PRO 88 CO 0.62 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.54 3a7l n GLU 89 N -2.98 0.07 0.06 0.86 0.00 -1.26 -1.63 120.64 115.76 3a7l n GLU 89 Ca -0.01 0.39 0.17 0.00 0.00 0.00 0.00 57.16 57.71 3a7l n GLU 89 Cb 0.19 -1.66 0.67 0.00 0.00 0.00 0.00 31.44 30.64 3a7l n GLU 89 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3a7l h LEU 90 N 0.00 0.01 -1.09 -1.84 3.38 -1.71 -0.14 115.31 113.92 3a7l h LEU 90 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3a7l h LEU 90 Cb 0.21 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3a7l h LEU 90 CO 0.00 0.00 0.28 0.58 0.09 0.00 0.00 178.44 179.40 3a7l h VAL 91 N 0.01 1.22 -0.09 1.22 2.07 -1.55 0.02 116.25 119.14 3a7l h VAL 91 Ca 0.19 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 3a7l h VAL 91 Cb 0.76 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3a7l h VAL 91 CO -0.00 0.26 -0.11 0.78 0.02 0.00 0.00 177.57 178.52 3a7l h ASN 92 N 0.91 0.25 1.05 0.57 -0.26 -1.25 -3.16 115.58 113.70 3a7l h ASN 92 Ca 0.22 -0.52 -0.19 0.00 -0.56 0.00 0.00 56.30 55.26 3a7l h ASN 92 Cb 0.14 -0.07 -0.03 0.00 -1.06 0.00 0.00 38.32 37.30 3a7l h ASN 92 CO -0.02 0.72 -0.98 0.77 -1.06 0.00 0.00 177.43 176.85 3a7l h SER 93 N -0.21 0.00 -1.34 5.81 4.64 -1.21 -3.39 113.55 117.85 3a7l h SER 93 Ca 0.01 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.92 3a7l h SER 93 Cb 0.66 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.43 3a7l h SER 93 CO 0.03 0.82 -0.94 -1.84 -0.87 0.00 0.00 176.83 174.03 3a7l n GLU 94 N -3.23 0.91 0.29 4.77 0.28 -0.02 -4.99 120.64 118.66 3a7l n GLU 94 Ca -0.02 -2.85 0.13 0.00 -0.16 0.00 0.00 57.16 54.26 3a7l n GLU 94 Cb 0.89 -1.43 0.85 0.00 1.43 0.00 0.00 31.44 33.17 3a7l n GLU 94 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 3a7l h PRO 95 N 3.29 0.00 -0.09 3.44 0.13 -1.61 1.00 132.00 138.15 3a7l h PRO 95 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 3a7l h PRO 95 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3a7l h PRO 95 CO 0.39 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.82 3a7l n TYR 96 N -4.02 0.09 0.00 1.56 4.01 -1.26 -4.19 117.16 113.35 3a7l n TYR 96 Ca -0.03 -0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 3a7l n TYR 96 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 3a7l n TYR 96 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3a7l n ALA 97 N 1.29 0.00 0.33 -0.72 0.00 -0.42 -4.84 120.51 116.15 3a7l n ALA 97 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.69 3a7l n ALA 97 Cb 0.58 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.48 3a7l n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a7l n GLY 98 N 2.94 -1.08 0.82 0.00 0.00 -1.20 -2.27 105.19 104.40 3a7l n GLY 98 Ca 0.00 0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.16 3a7l n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a7l n GLY 99 N -0.39 1.11 3.57 -0.02 0.00 0.21 -4.83 105.19 104.84 3a7l n GLY 99 Ca 0.01 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 3a7l n GLY 99 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3a7l n TRP 100 N 0.60 0.32 -0.07 1.61 4.27 -0.96 -4.61 117.44 118.60 3a7l n TRP 100 Ca 0.14 0.43 -0.15 0.00 -3.89 0.00 0.00 57.50 54.03 3a7l n TRP 100 Cb 0.41 -2.07 -0.05 0.00 -1.36 0.00 0.00 31.31 28.24 3a7l n TRP 100 CO 0.00 0.00 0.00 -0.89 -2.29 0.00 0.00 177.69 174.51 3a7l n ILE 101 N -1.81 0.97 -3.89 -1.67 5.41 0.21 -4.59 119.36 113.99 3a7l n ILE 101 Ca 0.13 -0.13 -0.09 0.00 1.00 0.00 0.00 62.75 63.66 3a7l n ILE 101 Cb 0.48 -1.78 -0.06 0.00 -0.71 0.00 0.00 39.64 37.57 3a7l n ILE 101 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 3a7l s PHE 102 N -2.34 0.23 0.02 1.39 -0.12 -1.03 -1.25 117.98 114.88 3a7l s PHE 102 Ca -0.21 -0.59 0.09 0.00 -0.05 0.00 0.00 56.93 56.17 3a7l s PHE 102 Cb 0.07 0.12 -0.03 0.00 -0.63 0.00 0.00 43.02 42.56 3a7l s PHE 102 CO 0.27 -0.82 -0.26 0.15 -0.05 0.00 0.00 175.22 174.51 3a7l s LYS 103 N -3.94 1.89 -0.02 1.99 1.02 -0.09 -0.58 119.74 120.00 3a7l s LYS 103 Ca 0.15 -1.04 0.02 0.00 0.02 0.00 0.00 55.97 55.13 3a7l s LYS 103 Cb 0.01 -1.97 0.00 0.00 -0.52 0.00 0.00 37.83 35.35 3a7l s LYS 103 CO 0.00 0.52 -0.07 -1.50 -0.92 0.00 0.00 175.35 173.38 3a7l s ILE 104 N -0.73 0.64 -0.39 2.17 2.07 0.23 -0.84 121.20 124.35 3a7l s ILE 104 Ca 0.11 -0.28 -0.18 0.00 -1.41 0.00 0.00 60.65 58.89 3a7l s ILE 104 Cb -0.10 -0.58 0.01 0.00 0.13 0.00 0.00 42.46 41.92 3a7l s ILE 104 CO 0.01 0.21 0.48 -0.75 -1.91 0.00 0.00 174.94 172.98 3a7l s LYS 105 N 0.23 3.38 0.27 3.50 2.20 -0.06 -1.10 119.74 128.15 3a7l s LYS 105 Ca -0.03 -0.45 -0.29 0.00 -0.36 0.00 0.00 55.97 54.84 3a7l s LYS 105 Cb -0.08 -3.88 -0.10 0.00 -1.51 0.00 0.00 37.83 32.26 3a7l s LYS 105 CO 0.00 -0.75 1.28 0.00 -0.36 0.00 0.00 175.35 175.52 3a7l s ALA 106 N 2.30 3.50 -0.78 3.13 0.00 -1.26 -1.58 121.76 127.07 3a7l s ALA 106 Ca 0.16 1.14 0.21 0.00 0.00 0.00 0.00 51.96 53.47 3a7l s ALA 106 Cb -0.16 -3.46 -0.22 0.00 0.00 0.00 0.00 23.12 19.28 3a7l s ALA 106 CO 0.14 -0.52 0.83 -1.13 0.00 0.00 0.00 175.76 175.08 3a7l n SER 107 N 1.66 0.76 -3.41 0.00 3.41 -0.37 -4.84 113.62 110.83 3a7l n SER 107 Ca 0.02 -0.73 -0.19 0.00 -0.26 0.00 0.00 58.87 57.71 3a7l n SER 107 Cb 0.43 1.18 -0.10 0.00 -0.26 0.00 0.00 64.21 65.46 3a7l n SER 107 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3a7l s ASP 108 N -3.36 1.81 0.59 4.04 3.68 -1.26 -5.01 116.67 117.16 3a7l s ASP 108 Ca 0.05 -1.17 0.29 0.00 2.13 0.00 0.00 52.55 53.85 3a7l s ASP 108 Cb 0.16 0.37 1.77 0.00 -1.45 0.00 0.00 42.92 43.77 3a7l s ASP 108 CO 0.87 -0.35 2.20 -0.08 0.13 0.00 0.00 175.17 177.95 3a7l h GLU 109 N 7.82 0.00 0.00 4.34 4.57 -1.96 -1.17 114.58 128.17 3a7l h GLU 109 Ca -0.07 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 3a7l h GLU 109 Cb 1.05 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.64 3a7l h GLU 109 CO 0.30 0.00 -0.08 0.66 -1.18 0.00 0.00 179.01 178.71 3a7l h SER 110 N 0.00 0.00 0.79 1.04 4.64 -2.02 -2.36 113.55 115.64 3a7l h SER 110 Ca 0.03 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 3a7l h SER 110 Cb 0.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3a7l h SER 110 CO -0.00 0.08 -0.04 -0.33 -0.87 0.00 0.00 176.83 175.67 3a7l h GLU 111 N 0.00 0.00 -0.01 4.77 5.08 -1.64 -2.46 114.58 120.32 3a7l h GLU 111 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3a7l h GLU 111 Cb 0.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3a7l h GLU 111 CO 0.01 0.04 0.06 -0.07 -1.00 0.00 0.00 179.01 178.05 3a7l h LEU 112 N 0.00 0.00 -1.36 1.33 3.38 -1.61 -1.93 115.31 115.12 3a7l h LEU 112 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3a7l h LEU 112 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3a7l h LEU 112 CO 0.01 0.00 -0.06 -0.33 0.09 0.00 0.00 178.44 178.14 3a7l h GLU 113 N 0.00 0.00 -0.00 1.13 5.08 -1.65 -2.32 114.58 116.82 3a7l h GLU 113 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3a7l h GLU 113 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3a7l h GLU 113 CO -0.00 0.06 -0.05 0.43 -1.00 0.00 0.00 179.01 178.45 3a7l n SER 114 N -3.19 0.35 -4.86 1.42 7.64 -0.73 -4.89 113.62 109.37 3a7l n SER 114 Ca 0.00 -0.67 -0.31 0.00 1.01 0.00 0.00 58.87 58.91 3a7l n SER 114 Cb 0.34 -0.09 -0.02 0.00 -1.01 0.00 0.00 64.21 63.43 3a7l n SER 114 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3a7l s LEU 115 N -2.34 3.55 -0.05 -3.43 1.43 -0.87 -4.92 118.68 112.04 3a7l s LEU 115 Ca 0.34 1.40 -0.03 0.00 -1.03 0.00 0.00 54.13 54.81 3a7l s LEU 115 Cb 0.21 -4.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.03 3a7l s LEU 115 CO 0.44 -0.63 0.10 -0.76 0.23 0.00 0.00 176.35 175.72 3a7l s LEU 116 N -4.40 4.06 0.85 1.79 1.43 0.18 -4.91 118.68 117.68 3a7l s LEU 116 Ca 0.55 0.26 -0.10 0.00 -1.03 0.00 0.00 54.13 53.82 3a7l s LEU 116 Cb -0.10 -2.21 0.16 0.00 0.03 0.00 0.00 46.19 44.06 3a7l s LEU 116 CO 0.39 0.32 1.18 1.51 0.23 0.00 0.00 176.35 179.98 3a7l s ASP 117 N -1.46 3.73 0.26 2.29 -4.77 -1.26 -0.71 116.67 114.75 3a7l s ASP 117 Ca 0.20 0.08 -0.04 0.00 -3.30 0.00 0.00 52.55 49.50 3a7l s ASP 117 Cb -0.12 -0.31 0.35 0.00 -1.09 0.00 0.00 42.92 41.75 3a7l s ASP 117 CO 0.10 -2.31 1.91 0.00 0.70 0.00 0.00 175.17 175.57 3a7l h ALA 118 N -1.15 1.35 -0.57 2.11 0.00 -1.81 -0.54 119.26 118.66 3a7l h ALA 118 Ca -0.42 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3a7l h ALA 118 Cb 1.26 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3a7l h ALA 118 CO 0.42 0.54 0.26 1.15 0.00 0.00 0.00 179.25 181.62 3a7l h THR 119 N 1.26 1.21 -0.52 0.00 2.02 -1.93 -0.41 112.91 114.53 3a7l h THR 119 Ca 0.40 -0.62 -0.10 0.00 0.77 0.00 0.00 66.41 66.87 3a7l h THR 119 Cb 0.02 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 3a7l h THR 119 CO -0.13 0.24 -0.06 0.00 0.37 0.00 0.00 175.52 175.95 3a7l h ALA 120 N 1.10 0.90 -0.55 6.16 0.00 -1.78 -1.62 119.26 123.48 3a7l h ALA 120 Ca 0.19 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 3a7l h ALA 120 Cb 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3a7l h ALA 120 CO -0.02 0.64 -0.10 -0.92 0.00 0.00 0.00 179.25 178.85 3a7l h TYR 121 N 0.85 1.15 -0.63 0.00 3.20 -0.75 -0.85 116.97 119.94 3a7l h TYR 121 Ca 0.15 -0.24 0.03 0.00 3.14 0.00 0.00 58.73 61.81 3a7l h TYR 121 Cb 0.59 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 3a7l h TYR 121 CO 0.04 1.06 0.38 0.93 -1.64 0.00 0.00 178.16 178.92 3a7l h GLU 122 N 0.92 0.72 -0.66 1.82 5.08 -0.95 -1.12 114.58 120.38 3a7l h GLU 122 Ca 0.14 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3a7l h GLU 122 Cb 0.67 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 3a7l h GLU 122 CO 0.05 0.47 0.30 0.00 -1.00 0.00 0.00 179.01 178.83 3a7l h ALA 123 N 1.28 0.86 -0.81 3.43 0.00 -1.02 -0.70 119.26 122.30 3a7l h ALA 123 Ca 0.26 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3a7l h ALA 123 Cb 0.05 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 3a7l h ALA 123 CO -0.12 0.44 0.51 1.25 0.00 0.00 0.00 179.25 181.33 3a7l h LEU 124 N 0.92 0.82 -0.70 0.00 5.85 -0.64 -1.77 115.31 119.79 3a7l h LEU 124 Ca 0.23 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 3a7l h LEU 124 Cb 0.15 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3a7l h LEU 124 CO -0.02 0.55 0.21 -0.07 -0.34 0.00 0.00 178.44 178.77 3a7l h LEU 125 N 0.97 1.03 0.00 2.25 3.38 -0.79 -1.36 115.31 120.79 3a7l h LEU 125 Ca 0.33 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3a7l h LEU 125 Cb 0.07 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3a7l h LEU 125 CO -0.13 0.97 0.00 -0.62 0.09 0.00 0.00 178.44 178.75 3a7l n GLU 126 N -4.29 0.31 0.00 1.13 1.02 -0.31 -2.85 120.64 115.65 3a7l n GLU 126 Ca 0.05 0.10 0.06 0.00 -0.02 0.00 0.00 57.16 57.35 3a7l n GLU 126 Cb 0.23 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.18 3a7l n GLU 126 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3a7l n ASP 127 N -1.22 1.79 -0.53 1.62 4.64 -0.52 -5.08 116.55 117.25 3a7l n ASP 127 Ca 0.09 -1.39 0.14 0.00 -1.38 0.00 0.00 54.79 52.25 3a7l n ASP 127 Cb 0.12 0.20 0.48 0.00 -1.04 0.00 0.00 41.12 40.88 3a7l n ASP 127 CO 0.00 0.00 0.00 -1.84 -0.82 0.00 0.00 177.20 174.54