#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a3t n ASP -3 N 0.00 3.08 -4.77 -1.12 8.00 -1.26 -4.98 116.55 115.50 3a3t n ASP -3 Ca 0.00 1.18 -0.32 0.00 0.71 0.00 0.00 54.79 56.36 3a3t n ASP -3 Cb 0.00 -1.50 0.07 0.00 -0.02 0.00 0.00 41.12 39.67 3a3t n ASP -3 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3a3t s ASP -2 N 0.06 4.79 0.23 -2.24 1.11 -1.26 -5.08 116.67 114.27 3a3t s ASP -2 Ca 0.61 1.85 -0.14 0.00 0.18 0.00 0.00 52.55 55.04 3a3t s ASP -2 Cb -0.57 -2.53 0.01 0.00 1.07 0.00 0.00 42.92 40.90 3a3t s ASP -2 CO 0.56 -1.85 0.49 -1.59 1.18 0.00 0.00 175.17 173.96 3a3t s LYS -1 N -4.68 1.48 0.21 8.23 -2.85 -1.24 -5.07 119.74 115.82 3a3t s LYS -1 Ca 0.62 -1.12 -0.32 0.00 -1.00 0.00 0.00 55.97 54.15 3a3t s LYS -1 Cb -0.18 0.49 -0.13 0.00 -2.06 0.00 0.00 37.83 35.95 3a3t s LYS -1 CO 0.51 -0.62 1.61 0.00 0.10 0.00 0.00 175.35 176.96 3a3t n ALA 24 N -0.36 2.05 -0.95 0.59 0.00 -1.26 -1.16 120.51 119.42 3a3t n ALA 24 Ca -0.05 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3a3t n ALA 24 Cb 0.62 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.65 3a3t n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a3t n GLY 25 N 3.25 0.90 2.36 0.00 0.00 -1.26 -4.90 105.19 105.54 3a3t n GLY 25 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 3a3t n GLY 25 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3a3t n LEU 26 N 0.00 1.40 -4.12 0.99 0.00 -0.31 -4.46 117.00 110.51 3a3t n LEU 26 Ca 0.00 -4.85 -0.33 0.00 0.00 0.00 0.00 56.01 50.83 3a3t n LEU 26 Cb 0.00 0.51 -0.16 0.00 0.00 0.00 0.00 43.42 43.77 3a3t n LEU 26 CO 0.00 2.17 -0.51 -0.69 0.00 0.00 0.00 177.39 178.36 3a3t s VAL 27 N -2.83 2.14 0.33 1.96 1.01 -1.25 -3.67 120.40 118.08 3a3t s VAL 27 Ca 0.39 -1.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 3a3t s VAL 27 Cb 0.36 -1.98 -0.11 0.00 0.00 0.00 0.00 36.38 34.65 3a3t s VAL 27 CO -0.07 0.42 1.56 1.21 0.00 0.00 0.00 175.10 178.22 3a3t n GLU 28 N 4.59 2.70 0.00 2.72 2.13 -1.26 -0.27 120.64 131.25 3a3t n GLU 28 Ca -0.19 0.96 0.00 0.00 0.66 0.00 0.00 57.16 58.58 3a3t n GLU 28 Cb 0.48 -2.72 0.00 0.00 0.27 0.00 0.00 31.44 29.47 3a3t n GLU 28 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a3t n GLY 29 N 1.50 2.70 0.96 8.31 0.00 0.10 -4.77 105.19 113.98 3a3t n GLY 29 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 3a3t n GLY 29 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3a3t n GLN 30 N -2.00 0.03 -0.01 1.61 -0.06 -0.35 -4.87 117.38 111.73 3a3t n GLN 30 Ca 0.00 0.01 0.06 0.00 -2.00 0.00 0.00 57.00 55.07 3a3t n GLN 30 Cb 0.00 -0.55 -0.10 0.00 -4.06 0.00 0.00 30.24 25.53 3a3t n GLN 30 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 3a3t n ASN 31 N -3.06 1.93 -3.81 1.69 3.02 0.63 -4.71 115.26 110.96 3a3t n ASN 31 Ca -0.03 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.43 3a3t n ASN 31 Cb 0.52 1.58 -0.04 0.00 -0.61 0.00 0.00 39.78 41.23 3a3t n ASN 31 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 3a3t s TYR 32 N -2.91 0.00 0.03 3.10 -0.85 -1.22 0.17 117.35 115.68 3a3t s TYR 32 Ca -0.05 -0.36 0.02 0.00 -0.52 0.00 0.00 57.07 56.17 3a3t s TYR 32 Cb 0.08 0.34 -0.02 0.00 0.38 0.00 0.00 41.96 42.74 3a3t s TYR 32 CO 0.56 -0.93 -0.08 0.99 -1.52 0.00 0.00 175.55 174.56 3a3t s THR 33 N -3.91 0.59 -0.17 -3.49 2.01 0.21 -0.73 115.64 110.16 3a3t s THR 33 Ca 0.12 -0.87 -0.16 0.00 0.31 0.00 0.00 61.69 61.09 3a3t s THR 33 Cb -0.01 -0.61 -0.04 0.00 0.01 0.00 0.00 72.50 71.85 3a3t s THR 33 CO -0.00 -0.22 0.38 -0.69 -0.69 0.00 0.00 174.62 173.40 3a3t s VAL 34 N -1.02 5.24 0.33 3.82 1.01 -1.26 -0.82 120.40 127.69 3a3t s VAL 34 Ca -0.06 0.71 -0.28 0.00 0.00 0.00 0.00 61.98 62.35 3a3t s VAL 34 Cb -0.08 -3.72 -0.10 0.00 0.00 0.00 0.00 36.38 32.49 3a3t s VAL 34 CO 0.00 0.32 1.19 -0.76 0.00 0.00 0.00 175.10 175.86 3a3t s LEU 35 N 0.85 4.42 0.13 3.92 1.02 -0.15 -4.95 118.68 123.93 3a3t s LEU 35 Ca 0.20 2.45 -0.16 0.00 0.02 0.00 0.00 54.13 56.64 3a3t s LEU 35 Cb -0.14 -3.73 -0.00 0.00 0.02 0.00 0.00 46.19 42.34 3a3t s LEU 35 CO 0.07 -0.41 1.69 0.00 0.02 0.00 0.00 176.35 177.72 3a3t h ALA 36 N 3.38 0.53 -3.34 4.21 0.00 -1.97 -3.41 119.26 118.65 3a3t h ALA 36 Ca -0.48 -0.14 -0.56 0.00 0.00 0.00 0.00 54.91 53.73 3a3t h ALA 36 Cb 1.22 -0.16 -0.34 0.00 0.00 0.00 0.00 17.79 18.51 3a3t h ALA 36 CO 0.65 0.13 -0.83 -0.80 0.00 0.00 0.00 179.25 178.40 3a3t s ASN 37 N -5.85 2.21 0.57 0.00 0.01 -1.26 -5.13 114.94 105.49 3a3t s ASN 37 Ca -0.13 -0.38 -0.19 0.00 -0.71 0.00 0.00 52.86 51.44 3a3t s ASN 37 Cb 0.10 -1.00 -0.04 0.00 0.41 0.00 0.00 41.25 40.72 3a3t s ASN 37 CO 0.75 0.04 1.20 -2.84 -1.51 0.00 0.00 177.10 174.74 3a3t s PRO 38 N 0.77 3.10 -0.32 -0.60 0.02 -1.26 -5.00 135.00 131.72 3a3t s PRO 38 Ca -0.12 1.80 -0.16 0.00 0.02 0.00 0.00 61.00 62.55 3a3t s PRO 38 Cb -0.16 -1.99 -0.02 0.00 0.02 0.00 0.00 34.50 32.36 3a3t s PRO 38 CO 0.02 -1.09 0.41 0.42 -0.33 0.00 0.00 177.00 176.43 3a3t s ILE 39 N -1.61 5.12 -0.06 2.83 1.01 -0.09 -5.03 121.20 123.39 3a3t s ILE 39 Ca 0.75 0.33 -0.37 0.00 0.00 0.00 0.00 60.65 61.36 3a3t s ILE 39 Cb -0.29 -3.82 -0.15 0.00 0.01 0.00 0.00 42.46 38.20 3a3t s ILE 39 CO 0.33 -0.04 1.58 -2.65 0.00 0.00 0.00 174.94 174.16 3a3t n PRO 40 N 5.47 1.40 -1.43 2.79 -0.02 -1.26 -4.42 135.00 137.53 3a3t n PRO 40 Ca -0.07 0.51 -0.31 0.00 -2.02 0.00 0.00 63.50 61.60 3a3t n PRO 40 Cb 0.50 -2.21 0.07 0.00 -0.02 0.00 0.00 33.50 31.84 3a3t n PRO 40 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3a3t s GLN 41 N 2.08 2.60 0.26 -0.52 -0.21 -1.26 -4.97 119.66 117.64 3a3t s GLN 41 Ca 0.90 1.08 0.14 0.00 0.02 0.00 0.00 55.36 57.50 3a3t s GLN 41 Cb -0.93 -1.94 0.18 0.00 1.00 0.00 0.00 33.01 31.32 3a3t s GLN 41 CO 0.53 -1.37 1.49 1.96 -2.12 0.00 0.00 175.29 175.78 3a3t h GLN 42 N -0.87 0.00 -4.36 2.91 4.20 -2.00 -3.42 115.11 111.56 3a3t h GLN 42 Ca -0.44 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 57.70 3a3t h GLN 42 Cb 1.22 0.00 -0.37 0.00 0.30 0.00 0.00 27.48 28.63 3a3t h GLN 42 CO 0.54 0.60 -0.80 -0.65 -0.67 0.00 0.00 178.83 177.85 3a3t s GLN 43 N -3.12 1.74 0.27 1.46 -0.21 -1.26 -5.04 119.66 113.50 3a3t s GLN 43 Ca 0.02 -0.59 -0.03 0.00 0.02 0.00 0.00 55.36 54.78 3a3t s GLN 43 Cb 0.09 -2.09 0.36 0.00 1.00 0.00 0.00 33.01 32.37 3a3t s GLN 43 CO 0.75 -0.38 1.83 0.00 -2.12 0.00 0.00 175.29 175.37 3a3t h ALA 44 N 8.07 1.21 -0.01 6.09 0.00 -2.02 -3.18 119.26 129.42 3a3t h ALA 44 Ca -0.28 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3a3t h ALA 44 Cb 1.11 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3a3t h ALA 44 CO 0.44 0.57 -0.11 0.41 0.00 0.00 0.00 179.25 180.56 3a3t n GLY 45 N -0.93 -0.69 1.39 0.00 0.00 -1.26 -4.93 105.19 98.77 3a3t n GLY 45 Ca 0.05 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 3a3t n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a3t n LYS 46 N -0.66 1.31 -3.72 1.61 5.02 -1.20 -5.06 118.16 115.44 3a3t n LYS 46 Ca 0.16 -1.30 -0.38 0.00 -2.02 0.00 0.00 58.31 54.76 3a3t n LYS 46 Cb 0.29 0.21 -0.12 0.00 -0.02 0.00 0.00 35.03 35.39 3a3t n LYS 46 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3a3t s VAL 47 N -1.22 3.91 -0.03 -0.18 1.01 0.33 -5.00 120.40 119.23 3a3t s VAL 47 Ca 0.08 -1.11 -0.23 0.00 0.00 0.00 0.00 61.98 60.72 3a3t s VAL 47 Cb -0.01 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 3a3t s VAL 47 CO 0.05 -0.20 0.68 -0.70 0.00 0.00 0.00 175.10 174.93 3a3t s GLU 48 N 1.42 4.42 -0.34 2.72 2.12 -1.26 -2.13 118.70 125.65 3a3t s GLU 48 Ca -0.01 0.86 -0.11 0.00 0.36 0.00 0.00 54.97 56.08 3a3t s GLU 48 Cb -0.20 -3.40 0.01 0.00 0.26 0.00 0.00 34.13 30.80 3a3t s GLU 48 CO 0.03 0.19 0.19 0.08 -0.54 0.00 0.00 175.26 175.21 3a3t s VAL 49 N 0.37 4.69 -0.27 3.70 1.01 0.48 -1.15 120.40 129.23 3a3t s VAL 49 Ca 0.36 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 3a3t s VAL 49 Cb -0.18 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.72 3a3t s VAL 49 CO 0.19 -0.08 0.02 -0.22 0.00 0.00 0.00 175.10 175.01 3a3t s LEU 50 N 1.60 3.51 -0.31 3.92 2.96 0.73 0.50 118.68 131.58 3a3t s LEU 50 Ca 0.04 -0.71 -0.09 0.00 -0.22 0.00 0.00 54.13 53.15 3a3t s LEU 50 Cb -0.18 -1.79 0.00 0.00 0.50 0.00 0.00 46.19 44.72 3a3t s LEU 50 CO 0.07 -0.14 0.13 -0.70 -1.32 0.00 0.00 176.35 174.39 3a3t s GLU 51 N 1.44 3.17 -0.13 1.98 2.12 1.00 0.11 118.70 128.39 3a3t s GLU 51 Ca 0.02 -0.83 -0.25 0.00 0.36 0.00 0.00 54.97 54.28 3a3t s GLU 51 Cb -0.17 -3.51 -0.02 0.00 0.26 0.00 0.00 34.13 30.69 3a3t s GLU 51 CO -0.00 -0.47 0.78 -0.06 -0.54 0.00 0.00 175.26 174.97 3a3t s PHE 52 N 1.56 3.48 0.34 5.30 0.08 0.15 -0.93 117.98 127.96 3a3t s PHE 52 Ca 0.03 1.25 0.06 0.00 0.12 0.00 0.00 56.93 58.39 3a3t s PHE 52 Cb -0.17 -2.93 -0.03 0.00 -0.57 0.00 0.00 43.02 39.32 3a3t s PHE 52 CO 0.05 -0.11 0.22 -0.59 -0.10 0.00 0.00 175.22 174.69 3a3t s PHE 53 N 1.60 1.71 -0.00 0.36 -0.71 -0.38 -1.45 117.98 119.11 3a3t s PHE 53 Ca 0.38 -1.53 0.00 0.00 -1.04 0.00 0.00 56.93 54.74 3a3t s PHE 53 Cb -0.17 -0.83 0.00 0.00 -1.21 0.00 0.00 43.02 40.81 3a3t s PHE 53 CO 0.15 -0.69 -0.00 0.20 -1.34 0.00 0.00 175.22 173.54 3a3t s GLY 54 N -3.42 0.05 0.22 1.99 0.00 -1.26 -1.03 107.32 103.88 3a3t s GLY 54 Ca 0.36 0.01 0.18 0.00 0.00 0.00 0.00 44.72 45.27 3a3t s GLY 54 CO 0.23 0.08 1.56 -1.72 0.00 0.00 0.00 173.10 173.25 3a3t n TYR 55 N 3.23 0.58 1.13 1.90 4.01 -1.26 -1.14 117.16 125.61 3a3t n TYR 55 Ca -0.15 0.27 0.13 0.00 -0.16 0.00 0.00 57.90 57.99 3a3t n TYR 55 Cb 0.58 -0.93 0.29 0.00 -0.31 0.00 0.00 39.34 38.97 3a3t n TYR 55 CO 0.00 0.00 0.00 1.97 -0.46 0.00 0.00 176.86 178.37 3a3t n PHE 56 N -2.07 0.07 -3.30 -0.72 -1.74 -1.26 -4.39 117.46 104.05 3a3t n PHE 56 Ca 0.00 -0.03 -0.43 0.00 -0.56 0.00 0.00 57.45 56.43 3a3t n PHE 56 Cb 0.10 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.02 3a3t n PHE 56 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3a3t h PRO 58 N 8.71 0.95 -0.27 0.00 0.11 -1.90 0.23 132.00 139.83 3a3t h PRO 58 Ca -0.27 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.72 3a3t h PRO 58 Cb 1.11 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 3a3t h PRO 58 CO 0.80 0.63 -0.14 0.45 -0.21 0.00 0.00 178.00 179.53 3a3t h HIS 59 N 0.98 0.49 -0.45 0.65 3.86 -1.92 -1.85 115.15 116.91 3a3t h HIS 59 Ca 0.34 -0.07 -0.07 0.00 -1.16 0.00 0.00 60.37 59.41 3a3t h HIS 59 Cb 0.07 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 3a3t h HIS 59 CO -0.03 0.58 0.03 0.00 0.86 0.00 0.00 177.93 179.37 3a3t h ALA 61 N 0.92 1.45 -0.06 0.00 0.00 -0.60 0.85 119.26 121.83 3a3t h ALA 61 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.84 3a3t h ALA 61 Cb 0.45 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.01 3a3t h ALA 61 CO 0.02 0.32 -0.77 0.45 0.00 0.00 0.00 179.25 179.26 3a3t h HIS 62 N 1.07 0.90 -0.02 0.00 3.86 -1.01 -3.20 115.15 116.75 3a3t h HIS 62 Ca 0.47 -0.45 -0.06 0.00 -1.16 0.00 0.00 60.37 59.17 3a3t h HIS 62 Cb 0.34 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 3a3t h HIS 62 CO -0.00 1.27 -0.27 1.25 0.86 0.00 0.00 177.93 181.03 3a3t h LEU 63 N 0.28 0.04 -0.34 2.43 5.85 -0.53 -3.35 115.31 119.68 3a3t h LEU 63 Ca -0.08 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.70 3a3t h LEU 63 Cb 1.43 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.37 3a3t h LEU 63 CO 0.16 0.31 -0.41 -0.08 -0.34 0.00 0.00 178.44 178.08 3a3t h GLU 64 N 0.04 -0.34 -0.37 1.25 4.57 -0.83 0.51 114.58 119.40 3a3t h GLU 64 Ca 0.00 0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.12 3a3t h GLU 64 Cb 0.50 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.15 3a3t h GLU 64 CO 0.04 -0.23 -0.13 -1.35 -1.18 0.00 0.00 179.01 176.16 3a3t h PRO 65 N -0.35 0.66 0.22 0.92 0.11 -1.76 -0.56 132.00 131.24 3a3t h PRO 65 Ca 0.13 -0.22 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 3a3t h PRO 65 Cb 0.59 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.64 3a3t h PRO 65 CO -0.53 0.77 -0.11 0.28 -0.21 0.00 0.00 178.00 178.21 3a3t h VAL 66 N 0.60 0.86 -0.17 3.15 2.07 -1.46 -1.67 116.25 119.63 3a3t h VAL 66 Ca 0.10 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 3a3t h VAL 66 Cb 0.57 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3a3t h VAL 66 CO 0.04 0.13 -0.03 0.25 0.02 0.00 0.00 177.57 177.97 3a3t h LEU 67 N -0.59 0.31 -0.57 2.57 5.85 -0.91 -0.95 115.31 121.02 3a3t h LEU 67 Ca -0.03 -0.35 0.10 0.00 0.84 0.00 0.00 57.88 58.44 3a3t h LEU 67 Cb 0.43 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.30 3a3t h LEU 67 CO 0.05 0.59 0.11 -1.28 -0.34 0.00 0.00 178.44 177.57 3a3t h SER 68 N 0.03 -0.01 -0.09 1.25 0.87 -1.15 0.53 113.55 114.99 3a3t h SER 68 Ca 0.04 0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 3a3t h SER 68 Cb 0.45 0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.55 3a3t h SER 68 CO 0.01 0.01 -0.03 0.50 -0.53 0.00 0.00 176.83 176.80 3a3t h LYS 69 N 0.25 0.17 -0.62 2.24 1.63 -1.20 -2.88 116.57 116.16 3a3t h LYS 69 Ca 0.29 -0.07 0.07 0.00 -0.85 0.00 0.00 60.65 60.09 3a3t h LYS 69 Cb 0.42 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.01 3a3t h LYS 69 CO -0.38 0.50 0.41 1.25 -3.45 0.00 0.00 179.45 177.78 3a3t h HIS 70 N -0.17 0.58 -0.53 1.91 2.76 -0.82 -1.42 115.15 117.46 3a3t h HIS 70 Ca 0.02 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.20 3a3t h HIS 70 Cb 0.44 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.18 3a3t h HIS 70 CO 0.06 0.30 0.33 0.00 -1.30 0.00 0.00 177.93 177.32 3a3t h ALA 71 N 1.67 1.57 0.00 5.26 0.00 -0.68 -0.79 119.26 126.30 3a3t h ALA 71 Ca 0.27 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3a3t h ALA 71 Cb 0.33 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3a3t h ALA 71 CO -0.08 0.38 -0.00 0.87 0.00 0.00 0.00 179.25 180.41 3a3t h LYS 72 N 0.73 0.00 -0.23 0.00 1.57 -1.21 0.23 116.57 117.66 3a3t h LYS 72 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3a3t h LYS 72 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3a3t h LYS 72 CO -0.04 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.72 3a3t n SER 73 N -3.13 2.02 -4.77 0.86 3.41 -0.30 -4.95 113.62 106.77 3a3t n SER 73 Ca -0.02 -1.80 -0.39 0.00 -0.26 0.00 0.00 58.87 56.40 3a3t n SER 73 Cb 0.13 -0.15 -0.01 0.00 -0.26 0.00 0.00 64.21 63.92 3a3t n SER 73 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3a3t s PHE 74 N -1.70 2.85 0.74 7.33 0.08 0.07 -5.01 117.98 122.34 3a3t s PHE 74 Ca 0.32 1.44 -0.13 0.00 0.12 0.00 0.00 56.93 58.69 3a3t s PHE 74 Cb 0.18 -3.61 0.04 0.00 -0.57 0.00 0.00 43.02 39.06 3a3t s PHE 74 CO 0.26 -1.94 1.13 0.15 -0.10 0.00 0.00 175.22 174.72 3a3t s LYS 75 N -2.28 2.26 0.63 0.44 1.02 -1.26 -4.90 119.74 115.66 3a3t s LYS 75 Ca 0.58 1.42 0.30 0.00 0.02 0.00 0.00 55.97 58.29 3a3t s LYS 75 Cb -0.36 -1.88 1.64 0.00 -0.52 0.00 0.00 37.83 36.71 3a3t s LYS 75 CO 0.46 -1.67 1.97 -0.44 -0.92 0.00 0.00 175.35 174.75 3a3t h ASP 76 N -0.64 0.00 -0.31 2.83 3.32 -2.00 0.11 116.42 119.72 3a3t h ASP 76 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3a3t h ASP 76 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3a3t h ASP 76 CO 0.51 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.13 3a3t n ASP 77 N -3.27 2.07 -3.88 6.45 3.85 -1.26 -4.86 116.55 115.65 3a3t n ASP 77 Ca 0.01 -2.10 -0.14 0.00 -0.71 0.00 0.00 54.79 51.85 3a3t n ASP 77 Cb 0.43 -0.30 -0.15 0.00 -1.35 0.00 0.00 41.12 39.75 3a3t n ASP 77 CO 0.00 0.00 0.00 -0.32 -1.01 0.00 0.00 177.20 175.87 3a3t s MET 78 N -1.61 0.19 0.12 0.11 1.75 0.36 -0.51 119.30 119.71 3a3t s MET 78 Ca 0.23 -0.03 -0.11 0.00 -1.25 0.00 0.00 55.69 54.52 3a3t s MET 78 Cb 0.13 -0.23 0.01 0.00 2.84 0.00 0.00 34.83 37.57 3a3t s MET 78 CO 0.13 -0.00 0.29 1.52 -0.65 0.00 0.00 175.02 176.31 3a3t s TYR 79 N 0.22 0.10 -0.17 4.11 -0.85 -0.90 -4.61 117.35 115.25 3a3t s TYR 79 Ca -0.02 -0.49 -0.07 0.00 -0.52 0.00 0.00 57.07 55.98 3a3t s TYR 79 Cb -0.04 0.05 -0.04 0.00 0.38 0.00 0.00 41.96 42.31 3a3t s TYR 79 CO -0.01 -0.65 0.05 -1.17 -1.52 0.00 0.00 175.55 172.25 3a3t s LEU 80 N -2.87 3.74 -0.02 -3.49 2.96 -1.26 -0.39 118.68 117.35 3a3t s LEU 80 Ca 0.08 0.06 0.06 0.00 -0.22 0.00 0.00 54.13 54.11 3a3t s LEU 80 Cb 0.03 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.77 3a3t s LEU 80 CO -0.08 0.19 -0.21 -0.60 -1.32 0.00 0.00 176.35 174.32 3a3t s ARG 81 N 0.29 1.78 0.05 1.98 3.52 0.18 -4.95 118.95 121.81 3a3t s ARG 81 Ca 0.03 -0.75 0.07 0.00 -0.13 0.00 0.00 55.73 54.94 3a3t s ARG 81 Cb -0.13 -1.68 -0.03 0.00 -1.56 0.00 0.00 34.95 31.56 3a3t s ARG 81 CO 0.01 0.43 -0.19 0.95 -0.81 0.00 0.00 175.30 175.68 3a3t s THR 82 N -0.41 1.51 -0.02 4.11 -4.23 -1.26 -0.00 115.64 115.34 3a3t s THR 82 Ca 0.06 -1.19 -0.01 0.00 -1.18 0.00 0.00 61.69 59.37 3a3t s THR 82 Cb -0.09 -1.34 0.01 0.00 1.34 0.00 0.00 72.50 72.43 3a3t s THR 82 CO -0.00 0.11 0.05 -1.61 -0.54 0.00 0.00 174.62 172.63 3a3t s GLU 83 N -1.26 0.03 -0.09 3.99 0.41 -0.11 -4.93 118.70 116.75 3a3t s GLU 83 Ca 0.06 0.11 -0.25 0.00 -0.41 0.00 0.00 54.97 54.48 3a3t s GLU 83 Cb -0.09 -0.05 -0.03 0.00 -1.78 0.00 0.00 34.13 32.18 3a3t s GLU 83 CO 0.02 -0.05 0.76 -1.58 -0.49 0.00 0.00 175.26 173.92 3a3t s HIS 84 N 0.35 3.55 0.57 1.61 2.46 -1.26 -1.25 115.29 121.31 3a3t s HIS 84 Ca -0.03 1.30 -0.19 0.00 0.47 0.00 0.00 55.06 56.61 3a3t s HIS 84 Cb -0.04 -2.89 -0.04 0.00 -0.13 0.00 0.00 32.58 29.47 3a3t s HIS 84 CO -0.01 -0.01 1.21 0.14 -2.47 0.00 0.00 174.74 173.60 3a3t s VAL 85 N 1.17 2.69 -0.31 0.89 -7.23 -0.19 -4.63 120.40 112.79 3a3t s VAL 85 Ca 0.39 0.44 0.01 0.00 -1.81 0.00 0.00 61.98 61.01 3a3t s VAL 85 Cb -0.18 -3.19 0.10 0.00 0.56 0.00 0.00 36.38 33.67 3a3t s VAL 85 CO 0.18 -0.08 0.08 -0.69 -0.31 0.00 0.00 175.10 174.28 3a3t s VAL 86 N -1.59 1.28 -1.31 1.32 1.01 -1.26 -4.77 120.40 115.08 3a3t s VAL 86 Ca 0.75 -1.64 0.22 0.00 0.00 0.00 0.00 61.98 61.31 3a3t s VAL 86 Cb -0.30 -1.95 -0.11 0.00 0.00 0.00 0.00 36.38 34.03 3a3t s VAL 86 CO 0.33 -0.63 1.07 0.79 0.00 0.00 0.00 175.10 176.66 3a3t n TRP 87 N 4.68 0.00 -3.54 5.22 8.01 -1.26 -4.77 117.44 125.78 3a3t n TRP 87 Ca -0.01 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 56.10 3a3t n TRP 87 Cb 0.42 -0.04 -0.02 0.00 -2.01 0.00 0.00 31.31 29.66 3a3t n TRP 87 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.69 177.82 3a3t s GLN 88 N -2.83 1.00 0.23 -0.99 -2.07 -1.26 -5.05 119.66 108.68 3a3t s GLN 88 Ca 0.12 -0.42 -0.13 0.00 -1.82 0.00 0.00 55.36 53.12 3a3t s GLN 88 Cb 0.17 0.43 0.29 0.00 -1.09 0.00 0.00 33.01 32.81 3a3t s GLN 88 CO 0.75 -0.44 1.60 -0.22 -1.32 0.00 0.00 175.29 175.65 3a3t h LYS 89 N 2.00 -0.02 -0.06 9.60 3.64 -2.03 0.50 116.57 130.20 3a3t h LYS 89 Ca -0.25 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.15 3a3t h LYS 89 Cb 1.25 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3a3t h LYS 89 CO 0.31 -0.01 0.06 0.93 -2.27 0.00 0.00 179.45 178.47 3a3t h GLU 90 N -0.02 0.00 0.00 1.90 3.07 -1.97 -2.08 114.58 115.49 3a3t h GLU 90 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 3a3t h GLU 90 Cb 0.56 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 3a3t h GLU 90 CO -0.78 0.00 -0.12 -0.12 -1.40 0.00 0.00 179.01 176.59 3a3t n MET 91 N -3.86 0.00 -0.18 2.33 1.56 0.17 -3.61 117.12 113.53 3a3t n MET 91 Ca -0.02 0.00 0.02 0.00 -0.27 0.00 0.00 57.70 57.44 3a3t n MET 91 Cb 0.16 -1.50 0.30 0.00 2.15 0.00 0.00 33.22 34.32 3a3t n MET 91 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 3a3t h LEU 92 N 0.00 0.76 -0.80 -0.89 3.38 -1.44 -2.24 115.31 114.08 3a3t h LEU 92 Ca 0.00 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.07 3a3t h LEU 92 Cb 0.50 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.99 3a3t h LEU 92 CO 0.00 0.54 0.42 0.74 0.09 0.00 0.00 178.44 180.23 3a3t h THR 93 N 0.89 0.83 -0.59 0.22 2.02 -1.79 -0.49 112.91 114.01 3a3t h THR 93 Ca 0.27 -0.23 -0.08 0.00 0.77 0.00 0.00 66.41 67.14 3a3t h THR 93 Cb -0.02 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.47 3a3t h THR 93 CO -0.07 0.12 0.07 -0.07 0.37 0.00 0.00 175.52 175.94 3a3t h LEU 94 N 0.68 0.96 -1.23 2.58 3.38 -1.65 -0.90 115.31 119.14 3a3t h LEU 94 Ca 0.40 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3a3t h LEU 94 Cb 0.45 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3a3t h LEU 94 CO -0.29 1.00 0.05 0.00 0.09 0.00 0.00 178.44 179.29 3a3t h ALA 95 N 1.00 1.38 -0.37 1.53 0.00 -1.18 0.23 119.26 121.84 3a3t h ALA 95 Ca 0.18 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3a3t h ALA 95 Cb 0.46 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3a3t h ALA 95 CO 0.02 0.44 -0.30 0.00 0.00 0.00 0.00 179.25 179.41 3a3t h ARG 96 N 0.56 0.80 -0.19 0.00 3.08 -0.74 -1.93 114.38 115.96 3a3t h ARG 96 Ca 0.13 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 59.81 3a3t h ARG 96 Cb 0.28 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3a3t h ARG 96 CO 0.00 0.99 0.10 1.25 -1.07 0.00 0.00 179.97 181.25 3a3t h LEU 97 N 0.68 0.23 -0.56 3.04 5.85 -0.41 -0.04 115.31 124.11 3a3t h LEU 97 Ca 0.08 -0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.79 3a3t h LEU 97 Cb 0.83 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.75 3a3t h LEU 97 CO 0.07 0.24 0.24 0.00 -0.34 0.00 0.00 178.44 178.66 3a3t h ALA 98 N 1.00 0.71 -0.68 1.25 0.00 -0.85 -0.32 119.26 120.37 3a3t h ALA 98 Ca 0.07 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3a3t h ALA 98 Cb 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3a3t h ALA 98 CO -0.01 -0.14 0.35 0.00 0.00 0.00 0.00 179.25 179.45 3a3t h ALA 99 N 1.34 0.87 -0.56 0.00 0.00 -1.17 -2.14 119.26 117.61 3a3t h ALA 99 Ca 0.26 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3a3t h ALA 99 Cb 0.25 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3a3t h ALA 99 CO -0.23 0.41 0.36 0.00 0.00 0.00 0.00 179.25 179.79 3a3t h ALA 100 N 1.17 0.71 -0.47 0.00 0.00 -0.16 0.38 119.26 120.90 3a3t h ALA 100 Ca 0.24 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.15 3a3t h ALA 100 Cb 0.07 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3a3t h ALA 100 CO -0.03 0.13 0.24 0.28 0.00 0.00 0.00 179.25 179.86 3a3t h VAL 101 N 0.74 0.98 -0.38 0.00 2.07 -0.87 0.18 116.25 118.96 3a3t h VAL 101 Ca 0.21 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.51 3a3t h VAL 101 Cb -0.06 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 3a3t h VAL 101 CO -0.06 0.09 -0.01 0.44 0.02 0.00 0.00 177.57 178.05 3a3t h ASP 102 N 0.48 0.57 0.04 0.57 3.32 -0.83 -0.16 116.42 120.40 3a3t h ASP 102 Ca 0.20 -0.12 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 3a3t h ASP 102 Cb 0.10 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.51 3a3t h ASP 102 CO -0.13 0.65 -0.47 0.24 -1.72 0.00 0.00 179.24 177.80 3a3t h MET 103 N 0.57 0.25 0.00 3.56 2.86 -0.53 -3.36 114.93 118.28 3a3t h MET 103 Ca 0.12 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 3a3t h MET 103 Cb 0.38 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.14 3a3t h MET 103 CO 0.01 1.07 -0.82 0.00 1.06 0.00 0.00 176.91 178.23 3a3t n ALA 104 N -2.60 3.65 -2.66 6.32 0.00 0.58 -4.65 120.51 121.15 3a3t n ALA 104 Ca -0.11 -0.39 0.01 0.00 0.00 0.00 0.00 53.44 52.95 3a3t n ALA 104 Cb 0.63 -0.51 0.04 0.00 0.00 0.00 0.00 19.45 19.61 3a3t n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a3t n ALA 105 N -1.44 2.59 -0.20 0.00 0.00 -0.08 -4.81 120.51 116.56 3a3t n ALA 105 Ca 0.02 -2.37 0.01 0.00 0.00 0.00 0.00 53.44 51.10 3a3t n ALA 105 Cb 0.25 -0.80 0.11 0.00 0.00 0.00 0.00 19.45 19.01 3a3t n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a3t h ALA 106 N 1.78 0.68 0.00 0.00 0.00 -1.68 -1.11 119.26 118.93 3a3t h ALA 106 Ca -0.22 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3a3t h ALA 106 Cb 1.50 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 3a3t h ALA 106 CO 0.10 -0.35 -0.09 -0.44 0.00 0.00 0.00 179.25 178.47 3a3t h ASP 107 N 0.20 0.00 -0.09 0.00 3.32 -1.91 -3.00 116.42 114.94 3a3t h ASP 107 Ca 0.32 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.31 3a3t h ASP 107 Cb 0.50 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.01 3a3t h ASP 107 CO -0.45 0.09 -0.48 -1.54 -1.72 0.00 0.00 179.24 175.14 3a3t n SER 108 N -3.29 2.03 -0.21 6.45 3.41 -0.53 -4.82 113.62 116.67 3a3t n SER 108 Ca -0.00 -3.89 -0.09 0.00 -0.26 0.00 0.00 58.87 54.63 3a3t n SER 108 Cb 0.31 -0.53 0.02 0.00 -0.26 0.00 0.00 64.21 63.75 3a3t n SER 108 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3a3t h LYS 109 N 1.09 1.01 -0.48 4.33 3.64 -1.12 -1.37 116.57 123.67 3a3t h LYS 109 Ca 0.05 -0.30 0.10 0.00 -1.27 0.00 0.00 60.65 59.23 3a3t h LYS 109 Cb 1.10 -0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 32.73 3a3t h LYS 109 CO 0.10 0.98 -0.15 -0.44 -2.27 0.00 0.00 179.45 177.67 3a3t h ASP 110 N 0.90 -0.54 -0.18 4.20 3.32 -1.87 0.30 116.42 122.55 3a3t h ASP 110 Ca 0.17 0.15 -0.07 0.00 0.02 0.00 0.00 57.03 57.30 3a3t h ASP 110 Cb 0.50 0.33 -0.00 0.00 0.22 0.00 0.00 39.33 40.38 3a3t h ASP 110 CO 0.02 -0.19 -0.17 0.58 -1.72 0.00 0.00 179.24 177.76 3a3t h VAL 111 N -0.04 1.33 -0.30 -1.35 2.07 -1.88 -1.89 116.25 114.20 3a3t h VAL 111 Ca 0.23 -1.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 3a3t h VAL 111 Cb 0.39 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 3a3t h VAL 111 CO -0.51 0.40 0.18 0.00 0.02 0.00 0.00 177.57 177.66 3a3t h ALA 112 N 0.64 0.38 -0.41 1.67 0.00 -0.96 -2.44 119.26 118.14 3a3t h ALA 112 Ca 0.03 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3a3t h ALA 112 Cb 0.71 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3a3t h ALA 112 CO 0.04 -0.12 -0.04 -0.91 0.00 0.00 0.00 179.25 178.22 3a3t h ASN 113 N 0.39 0.75 -0.63 0.00 4.21 -0.42 -1.76 115.58 118.11 3a3t h ASN 113 Ca 0.11 -0.33 0.12 0.00 1.21 0.00 0.00 56.30 57.40 3a3t h ASN 113 Cb -0.00 -0.20 -0.09 0.00 -1.12 0.00 0.00 38.32 36.91 3a3t h ASN 113 CO -0.02 0.90 0.17 -1.28 -1.29 0.00 0.00 177.43 175.91 3a3t h SER 114 N 0.58 0.07 0.32 5.81 0.87 -1.22 0.12 113.55 120.10 3a3t h SER 114 Ca 0.11 0.11 -0.16 0.00 -1.23 0.00 0.00 61.79 60.62 3a3t h SER 114 Cb 0.54 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 3a3t h SER 114 CO 0.03 0.04 -0.66 0.45 -0.53 0.00 0.00 176.83 176.16 3a3t h HIS 115 N 0.31 0.42 -0.04 2.24 3.86 -1.24 -1.26 115.15 119.44 3a3t h HIS 115 Ca 0.34 -0.17 -0.02 0.00 -1.16 0.00 0.00 60.37 59.35 3a3t h HIS 115 Cb 0.49 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.90 3a3t h HIS 115 CO -0.23 0.88 -0.05 0.82 0.86 0.00 0.00 177.93 180.22 3a3t h ILE 116 N 0.23 1.39 -0.35 2.45 2.04 -0.70 -1.00 117.51 121.57 3a3t h ILE 116 Ca -0.02 -1.25 0.07 0.00 1.00 0.00 0.00 64.86 64.67 3a3t h ILE 116 Cb 1.20 2.13 -0.07 0.00 -0.74 0.00 0.00 36.82 39.34 3a3t h ILE 116 CO 0.11 0.34 -0.11 -0.26 0.00 0.00 0.00 178.15 178.22 3a3t h PHE 117 N -0.36 -0.25 -0.46 1.37 0.04 -0.81 -2.36 116.94 114.11 3a3t h PHE 117 Ca 0.01 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.79 3a3t h PHE 117 Cb 0.57 0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.87 3a3t h PHE 117 CO 0.10 -0.18 0.22 0.22 -0.60 0.00 0.00 178.31 178.07 3a3t h ASP 118 N -0.03 0.60 -0.68 2.17 3.58 -1.17 0.18 116.42 121.06 3a3t h ASP 118 Ca 0.17 -0.12 0.13 0.00 0.42 0.00 0.00 57.03 57.63 3a3t h ASP 118 Cb 0.30 -0.15 -0.09 0.00 1.72 0.00 0.00 39.33 41.10 3a3t h ASP 118 CO -0.38 0.55 0.20 0.00 -2.88 0.00 0.00 179.24 176.73 3a3t h ALA 119 N 1.07 0.88 0.04 -0.78 0.00 -0.89 0.38 119.26 119.96 3a3t h ALA 119 Ca 0.16 0.13 -0.19 0.00 0.00 0.00 0.00 54.91 55.01 3a3t h ALA 119 Cb 0.11 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3a3t h ALA 119 CO -0.02 -0.27 -0.98 0.52 0.00 0.00 0.00 179.25 178.50 3a3t h MET 120 N 0.33 0.08 -0.08 0.00 2.86 -0.93 -0.21 114.93 116.98 3a3t h MET 120 Ca 0.37 -0.14 -0.08 0.00 -2.06 0.00 0.00 59.70 57.79 3a3t h MET 120 Cb 0.56 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.28 3a3t h MET 120 CO -0.42 1.07 -0.27 0.28 1.06 0.00 0.00 176.91 178.63 3a3t h VAL 121 N -0.77 1.42 0.04 -2.22 2.07 -0.68 -2.92 116.25 113.19 3a3t h VAL 121 Ca -0.24 -1.64 -0.30 0.00 0.82 0.00 0.00 66.70 65.33 3a3t h VAL 121 Cb 1.38 2.28 -0.03 0.00 -1.52 0.00 0.00 31.29 33.39 3a3t h VAL 121 CO -0.07 0.47 -1.65 0.59 0.02 0.00 0.00 177.57 176.93 3a3t n ASN 122 N -4.47 1.96 -0.16 0.57 5.03 0.05 -4.43 115.26 113.81 3a3t n ASN 122 Ca -0.08 0.33 0.13 0.00 0.87 0.00 0.00 54.58 55.83 3a3t n ASN 122 Cb 0.46 -0.90 0.39 0.00 -1.02 0.00 0.00 39.78 38.71 3a3t n ASN 122 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3a3t n GLN 123 N -4.07 0.60 -2.32 3.52 6.02 -0.75 -4.94 117.38 115.45 3a3t n GLN 123 Ca -0.34 -0.32 -0.19 0.00 -0.01 0.00 0.00 57.00 56.13 3a3t n GLN 123 Cb 0.83 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.58 3a3t n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3a3t n LYS 124 N -0.92 -1.74 -2.59 -1.09 4.76 -0.82 -4.94 118.16 110.82 3a3t n LYS 124 Ca 0.11 0.97 -0.42 0.00 -2.87 0.00 0.00 58.31 56.10 3a3t n LYS 124 Cb 0.33 -5.60 -0.04 0.00 -1.84 0.00 0.00 35.03 27.89 3a3t n LYS 124 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3a3t s ILE 125 N -2.94 4.33 -1.32 -0.18 1.01 -0.15 -4.95 121.20 117.00 3a3t s ILE 125 Ca 0.00 1.80 -0.13 0.00 0.00 0.00 0.00 60.65 62.32 3a3t s ILE 125 Cb 0.00 -4.15 0.12 0.00 0.01 0.00 0.00 42.46 38.44 3a3t s ILE 125 CO 0.00 0.21 1.85 1.17 0.00 0.00 0.00 174.94 178.16 3a3t n LYS 126 N 3.33 3.29 0.00 2.79 4.81 -1.26 -4.37 118.16 126.74 3a3t n LYS 126 Ca 0.05 -3.32 0.10 0.00 -0.87 0.00 0.00 58.31 54.28 3a3t n LYS 126 Cb 0.48 -3.15 0.50 0.00 0.02 0.00 0.00 35.03 32.88 3a3t n LYS 126 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3a3t n LEU 127 N 5.64 0.00 0.08 3.14 4.77 -1.26 -1.93 117.00 127.43 3a3t n LEU 127 Ca 0.44 0.40 0.13 0.00 -0.03 0.00 0.00 56.01 56.95 3a3t n LEU 127 Cb 0.40 -0.40 0.46 0.00 -2.33 0.00 0.00 43.42 41.55 3a3t n LEU 127 CO 0.79 -0.11 0.89 0.00 -1.33 0.00 0.00 177.39 177.62 3a3t n GLN 128 N -1.40 0.17 -2.93 3.23 0.00 -1.26 -4.44 117.38 110.75 3a3t n GLN 128 Ca 0.08 0.21 -0.42 0.00 0.00 0.00 0.00 57.00 56.86 3a3t n GLN 128 Cb 0.22 -1.73 -0.05 0.00 0.00 0.00 0.00 30.24 28.68 3a3t n GLN 128 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 3a3t s ASN 129 N -4.02 6.55 0.42 2.61 3.84 -0.81 -4.68 114.94 118.85 3a3t s ASN 129 Ca 0.10 0.32 0.12 0.00 0.21 0.00 0.00 52.86 53.61 3a3t s ASN 129 Cb 0.13 -2.41 0.97 0.00 -0.55 0.00 0.00 41.25 39.39 3a3t s ASN 129 CO 0.52 -0.79 2.00 -0.65 -2.79 0.00 0.00 177.10 175.38 3a3t h PRO 130 N 8.57 0.45 -0.02 0.43 0.11 -1.87 0.12 132.00 139.79 3a3t h PRO 130 Ca -0.24 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 3a3t h PRO 130 Cb 1.09 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 3a3t h PRO 130 CO 0.93 0.30 0.01 1.49 -0.21 0.00 0.00 178.00 180.52 3a3t h GLU 131 N 0.46 0.03 -0.62 1.05 4.81 -1.94 -0.18 114.58 118.20 3a3t h GLU 131 Ca 0.25 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.52 3a3t h GLU 131 Cb 0.39 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.72 3a3t h GLU 131 CO -0.07 0.23 0.35 0.28 -0.73 0.00 0.00 179.01 179.07 3a3t h VAL 132 N -0.17 1.02 -0.41 0.32 2.07 -1.46 -2.44 116.25 115.17 3a3t h VAL 132 Ca 0.01 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 3a3t h VAL 132 Cb 0.21 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3a3t h VAL 132 CO -0.00 0.12 0.19 0.25 0.02 0.00 0.00 177.57 178.15 3a3t h LEU 133 N 0.68 0.55 -0.63 2.57 5.85 -0.65 -0.57 115.31 123.10 3a3t h LEU 133 Ca 0.26 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 3a3t h LEU 133 Cb 0.10 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3a3t h LEU 133 CO -0.14 0.53 0.10 0.11 -0.34 0.00 0.00 178.44 178.70 3a3t h LYS 134 N 0.52 1.04 0.06 1.25 1.57 -0.85 0.16 116.57 120.33 3a3t h LYS 134 Ca 0.14 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3a3t h LYS 134 Cb 0.14 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3a3t h LYS 134 CO -0.02 0.97 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.59 3a3t h LYS 135 N 0.96 -0.08 -0.16 3.15 3.64 -1.34 -2.24 116.57 120.50 3a3t h LYS 135 Ca 0.19 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.62 3a3t h LYS 135 Cb 0.44 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.23 3a3t h LYS 135 CO 0.01 0.15 -0.13 2.35 -2.27 0.00 0.00 179.45 179.57 3a3t h TRP 136 N -0.29 -0.31 -0.64 1.91 7.01 -0.80 -1.87 115.95 120.96 3a3t h TRP 136 Ca -0.01 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.05 3a3t h TRP 136 Cb 0.26 0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.45 3a3t h TRP 136 CO -0.00 -0.19 0.42 -0.07 -2.79 0.00 0.00 178.44 175.81 3a3t h LEU 137 N -0.14 0.64 -1.59 0.65 3.38 -0.67 -0.73 115.31 116.85 3a3t h LEU 137 Ca 0.10 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3a3t h LEU 137 Cb 0.28 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3a3t h LEU 137 CO -0.24 0.44 -0.22 1.23 0.09 0.00 0.00 178.44 179.74 3a3t h GLY 138 N 0.74 0.00 1.43 0.83 0.00 -0.71 -3.05 103.07 102.30 3a3t h GLY 138 Ca 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.53 3a3t h GLY 138 CO -0.07 0.00 -0.77 0.83 0.00 0.00 0.00 176.54 176.53 3a3t h GLU 139 N 0.00 0.00 -6.86 4.80 5.08 -0.74 -3.46 114.58 113.40 3a3t h GLU 139 Ca -0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 3a3t h GLU 139 Cb 0.41 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.76 3a3t h GLU 139 CO 0.03 0.18 0.79 1.04 -1.00 0.00 0.00 179.01 180.04 3a3t n GLN 140 N -2.94 2.63 -0.00 2.33 1.13 -1.03 -4.92 117.38 114.57 3a3t n GLN 140 Ca -0.01 0.93 -0.00 0.00 -1.94 0.00 0.00 57.00 55.98 3a3t n GLN 140 Cb 0.66 -2.66 -0.01 0.00 0.11 0.00 0.00 30.24 28.33 3a3t n GLN 140 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3a3t n THR 141 N 1.06 0.06 0.19 5.09 -2.24 -1.26 -4.32 114.28 112.85 3a3t n THR 141 Ca 0.04 -0.05 0.05 0.00 -2.27 0.00 0.00 64.05 61.82 3a3t n THR 141 Cb 0.38 -0.31 0.33 0.00 -2.10 0.00 0.00 70.33 68.63 3a3t n THR 141 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a3t h ALA 142 N 0.11 1.02 -2.39 6.98 0.00 -1.98 -3.44 119.26 119.55 3a3t h ALA 142 Ca -0.02 -0.36 -0.32 0.00 0.00 0.00 0.00 54.91 54.21 3a3t h ALA 142 Cb 0.63 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.21 3a3t h ALA 142 CO 0.00 0.49 -0.61 -0.59 0.00 0.00 0.00 179.25 178.53 3a3t s PHE 143 N -3.65 1.45 -1.29 0.00 -0.71 -1.26 -4.92 117.98 107.60 3a3t s PHE 143 Ca -0.00 -1.23 -0.18 0.00 -1.04 0.00 0.00 56.93 54.47 3a3t s PHE 143 Cb 0.11 -0.82 0.05 0.00 -1.21 0.00 0.00 43.02 41.15 3a3t s PHE 143 CO 0.69 -0.41 1.80 -3.47 -1.34 0.00 0.00 175.22 172.49 3a3t n ASP 144 N -0.43 4.61 -0.19 1.98 -0.08 -1.26 -4.78 116.55 116.41 3a3t n ASP 144 Ca 0.01 -2.88 0.05 0.00 -1.51 0.00 0.00 54.79 50.45 3a3t n ASP 144 Cb 0.66 -1.74 0.33 0.00 2.34 0.00 0.00 41.12 42.71 3a3t n ASP 144 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 3a3t h GLY 145 N 13.05 0.98 1.41 0.27 0.00 -1.75 -2.21 103.07 114.82 3a3t h GLY 145 Ca 0.43 -0.32 -0.15 0.00 0.00 0.00 0.00 47.33 47.28 3a3t h GLY 145 CO 1.47 0.26 -0.48 0.50 0.00 0.00 0.00 176.54 178.28 3a3t h LYS 146 N 0.82 0.63 -0.63 4.80 1.57 -1.87 -0.37 116.57 121.52 3a3t h LYS 146 Ca 0.30 -0.36 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 3a3t h LYS 146 Cb 0.16 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3a3t h LYS 146 CO -0.09 0.97 0.04 -0.22 -0.57 0.00 0.00 179.45 179.58 3a3t h LYS 147 N 0.50 1.08 -0.41 3.15 3.64 -1.82 -1.71 116.57 120.99 3a3t h LYS 147 Ca 0.02 -0.33 -0.00 0.00 -1.27 0.00 0.00 60.65 59.08 3a3t h LYS 147 Cb 1.03 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 3a3t h LYS 147 CO 0.10 1.03 0.25 0.28 -2.27 0.00 0.00 179.45 178.84 3a3t h VAL 148 N 0.99 1.14 -0.64 2.00 2.07 -1.17 -2.51 116.25 118.13 3a3t h VAL 148 Ca 0.18 -0.32 0.09 0.00 0.82 0.00 0.00 66.70 67.48 3a3t h VAL 148 Cb 0.52 0.60 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 3a3t h VAL 148 CO 0.02 0.14 0.27 0.25 0.02 0.00 0.00 177.57 178.27 3a3t h LEU 149 N 0.55 0.29 -0.43 2.57 5.85 -0.79 0.41 115.31 123.75 3a3t h LEU 149 Ca 0.15 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.99 3a3t h LEU 149 Cb 0.01 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 3a3t h LEU 149 CO -0.03 0.17 0.17 0.00 -0.34 0.00 0.00 178.44 178.41 3a3t h ALA 150 N 1.42 0.52 -0.47 1.25 0.00 -0.97 -1.08 119.26 119.93 3a3t h ALA 150 Ca 0.32 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 3a3t h ALA 150 Cb 0.38 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3a3t h ALA 150 CO -0.30 -0.22 0.21 0.00 0.00 0.00 0.00 179.25 178.94 3a3t h ALA 151 N 1.27 0.61 -0.97 0.00 0.00 -0.97 -2.18 119.26 117.02 3a3t h ALA 151 Ca 0.20 -0.13 0.19 0.00 0.00 0.00 0.00 54.91 55.17 3a3t h ALA 151 Cb 0.17 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 17.69 3a3t h ALA 151 CO -0.19 0.19 0.61 -0.92 0.00 0.00 0.00 179.25 178.95 3a3t h TYR 152 N 0.61 0.86 0.00 0.00 3.20 -0.27 -0.75 116.97 120.62 3a3t h TYR 152 Ca 0.16 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.06 3a3t h TYR 152 Cb 0.16 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.17 3a3t h TYR 152 CO -0.00 0.21 -0.31 0.39 -1.64 0.00 0.00 178.16 176.81 3a3t n GLU 153 N -4.65 0.28 -1.37 1.82 1.02 -0.47 -4.72 120.64 112.55 3a3t n GLU 153 Ca 0.21 0.16 -0.32 0.00 -0.02 0.00 0.00 57.16 57.19 3a3t n GLU 153 Cb 0.61 -1.75 0.09 0.00 -0.02 0.00 0.00 31.44 30.37 3a3t n GLU 153 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3a3t s SER 154 N -4.41 4.41 0.33 1.62 1.04 -0.29 -4.96 113.70 111.45 3a3t s SER 154 Ca 0.08 2.03 0.09 0.00 0.48 0.00 0.00 55.95 58.64 3a3t s SER 154 Cb 0.13 -2.55 0.56 0.00 0.10 0.00 0.00 66.02 64.26 3a3t s SER 154 CO 0.66 -2.10 1.75 -0.65 0.98 0.00 0.00 173.24 173.88 3a3t h PRO 155 N -0.70 0.13 -0.76 4.02 0.11 -1.89 -3.23 132.00 129.68 3a3t h PRO 155 Ca -0.45 -0.06 0.04 0.00 0.11 0.00 0.00 66.00 65.64 3a3t h PRO 155 Cb 1.25 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.31 3a3t h PRO 155 CO 0.50 0.51 0.47 1.49 -0.21 0.00 0.00 178.00 180.77 3a3t h GLU 156 N 0.12 0.87 -0.52 1.05 4.81 -1.93 -1.72 114.58 117.26 3a3t h GLU 156 Ca 0.01 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 3a3t h GLU 156 Cb 0.75 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 3a3t h GLU 156 CO 0.06 0.58 0.20 0.66 -0.73 0.00 0.00 179.01 179.77 3a3t h SER 157 N 0.90 0.69 -0.46 1.04 4.64 -1.74 -0.84 113.55 117.77 3a3t h SER 157 Ca 0.32 -0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 61.48 3a3t h SER 157 Cb 0.08 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 3a3t h SER 157 CO -0.14 0.63 0.01 -0.61 -0.87 0.00 0.00 176.83 175.86 3a3t h GLN 158 N 0.75 0.81 -0.59 4.77 5.75 -1.44 -0.14 115.11 125.02 3a3t h GLN 158 Ca 0.18 -0.25 -0.04 0.00 -0.15 0.00 0.00 58.65 58.39 3a3t h GLN 158 Cb 0.17 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 3a3t h GLN 158 CO -0.02 0.86 0.23 0.00 -2.65 0.00 0.00 178.83 177.25 3a3t h ALA 159 N 0.92 0.76 -0.51 3.38 0.00 -0.90 -0.10 119.26 122.82 3a3t h ALA 159 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3a3t h ALA 159 Cb 0.48 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3a3t h ALA 159 CO 0.02 0.38 0.34 0.00 0.00 0.00 0.00 179.25 179.99 3a3t h ARG 160 N 0.81 0.67 -0.46 0.00 3.08 -0.99 -1.90 114.38 115.60 3a3t h ARG 160 Ca 0.19 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3a3t h ARG 160 Cb 0.21 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3a3t h ARG 160 CO -0.01 0.45 0.30 0.00 -1.07 0.00 0.00 179.97 179.64 3a3t h ALA 161 N 1.18 0.58 -0.94 0.04 0.00 -0.61 -0.71 119.26 118.80 3a3t h ALA 161 Ca 0.19 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.13 3a3t h ALA 161 Cb -0.07 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.47 3a3t h ALA 161 CO -0.04 0.04 0.61 -0.44 0.00 0.00 0.00 179.25 179.42 3a3t h ASP 162 N 0.62 0.94 -0.48 0.00 3.32 -0.74 0.06 116.42 120.13 3a3t h ASP 162 Ca 0.17 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.10 3a3t h ASP 162 Cb -0.06 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 3a3t h ASP 162 CO -0.04 0.59 -0.19 0.50 -1.72 0.00 0.00 179.24 178.39 3a3t h LYS 163 N 1.05 0.97 -0.84 3.56 1.63 -0.84 -0.78 116.57 121.32 3a3t h LYS 163 Ca 0.41 -0.41 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 3a3t h LYS 163 Cb 0.23 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.78 3a3t h LYS 163 CO -0.16 1.08 0.53 0.52 -3.45 0.00 0.00 179.45 177.96 3a3t h MET 164 N 0.83 1.13 -0.52 1.90 2.86 0.03 -0.31 114.93 120.85 3a3t h MET 164 Ca 0.11 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 3a3t h MET 164 Cb 0.76 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 3a3t h MET 164 CO 0.06 0.78 0.15 0.37 1.06 0.00 0.00 176.91 179.33 3a3t h GLN 165 N 1.15 0.81 -0.73 1.72 4.15 -0.84 -1.74 115.11 119.63 3a3t h GLN 165 Ca 0.31 -0.18 0.01 0.00 0.77 0.00 0.00 58.65 59.56 3a3t h GLN 165 Cb -0.08 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.45 3a3t h GLN 165 CO -0.06 0.75 0.48 1.49 -1.93 0.00 0.00 178.83 179.56 3a3t h GLU 166 N 0.71 0.94 -0.68 1.69 4.22 -0.43 -1.84 114.58 119.19 3a3t h GLU 166 Ca 0.17 -0.06 -0.08 0.00 0.08 0.00 0.00 59.36 59.47 3a3t h GLU 166 Cb 0.29 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3a3t h GLU 166 CO -0.00 0.62 0.10 -0.07 -2.18 0.00 0.00 179.01 177.48 3a3t h LEU 167 N 0.97 1.08 -0.13 1.64 3.38 -0.85 0.28 115.31 121.68 3a3t h LEU 167 Ca 0.28 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3a3t h LEU 167 Cb -0.07 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.38 3a3t h LEU 167 CO -0.07 1.07 0.04 0.74 0.09 0.00 0.00 178.44 180.31 3a3t h THR 168 N 1.05 0.97 0.04 0.22 2.02 -0.90 -1.58 112.91 114.73 3a3t h THR 168 Ca 0.20 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.35 3a3t h THR 168 Cb 0.45 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3a3t h THR 168 CO 0.01 0.02 -0.02 -0.33 0.37 0.00 0.00 175.52 175.57 3a3t h GLU 169 N 0.10 -0.05 -0.39 6.66 5.08 -1.11 -0.72 114.58 124.15 3a3t h GLU 169 Ca 0.05 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.49 3a3t h GLU 169 Cb 0.03 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.23 3a3t h GLU 169 CO -0.06 0.51 -0.03 1.15 -1.00 0.00 0.00 179.01 179.58 3a3t h THR 170 N -0.67 0.68 -0.54 1.13 2.02 -0.46 -2.23 112.91 112.84 3a3t h THR 170 Ca -0.01 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.15 3a3t h THR 170 Cb 0.59 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 3a3t h THR 170 CO 0.01 0.01 0.00 0.49 0.37 0.00 0.00 175.52 176.40 3a3t n PHE 171 N -5.23 0.72 -3.82 3.16 3.72 -0.60 -4.95 117.46 110.47 3a3t n PHE 171 Ca 0.02 -0.36 -0.24 0.00 -0.05 0.00 0.00 57.45 56.82 3a3t n PHE 171 Cb 0.21 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.76 3a3t n PHE 171 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3a3t n GLN 172 N 1.32 -4.62 -2.32 -1.08 6.02 -0.42 -4.87 117.38 111.43 3a3t n GLN 172 Ca 0.20 0.56 -0.40 0.00 -0.01 0.00 0.00 57.00 57.36 3a3t n GLN 172 Cb 0.54 -5.09 -0.03 0.00 1.02 0.00 0.00 30.24 26.68 3a3t n GLN 172 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3a3t s ILE 173 N -3.65 3.56 -1.42 5.09 -1.09 -0.41 -4.80 121.20 118.48 3a3t s ILE 173 Ca 0.16 0.33 0.13 0.00 -2.23 0.00 0.00 60.65 59.04 3a3t s ILE 173 Cb -0.08 -4.46 0.23 0.00 -1.58 0.00 0.00 42.46 36.57 3a3t s ILE 173 CO 0.84 -1.41 1.11 -0.90 -1.23 0.00 0.00 174.94 173.35 3a3t n ASP 174 N 10.90 2.60 -3.98 3.58 5.68 -1.26 -4.89 116.55 129.18 3a3t n ASP 174 Ca 0.11 -1.77 -0.09 0.00 -0.50 0.00 0.00 54.79 52.54 3a3t n ASP 174 Cb 0.50 -0.13 -0.11 0.00 -1.14 0.00 0.00 41.12 40.24 3a3t n ASP 174 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3a3t s GLY 175 N -1.07 0.26 0.00 6.12 0.00 -1.26 -5.16 107.32 106.21 3a3t s GLY 175 Ca 0.22 -0.58 0.05 0.00 0.00 0.00 0.00 44.72 44.40 3a3t s GLY 175 CO 0.18 -0.65 -0.15 -0.51 0.00 0.00 0.00 173.10 171.97 3a3t s THR 176 N -1.40 1.21 0.43 0.90 -4.23 -1.26 -3.79 115.64 107.51 3a3t s THR 176 Ca -0.15 -0.76 -0.22 0.00 -1.18 0.00 0.00 61.69 59.38 3a3t s THR 176 Cb -0.10 -1.03 -0.10 0.00 1.34 0.00 0.00 72.50 72.62 3a3t s THR 176 CO -0.01 0.25 1.00 -2.16 -0.54 0.00 0.00 174.62 173.16 3a3t s PRO 177 N -0.59 4.11 -0.13 3.99 0.05 -1.26 -4.81 135.00 136.35 3a3t s PRO 177 Ca 0.05 1.29 0.02 0.00 0.05 0.00 0.00 61.00 62.40 3a3t s PRO 177 Cb -0.06 -2.27 0.02 0.00 0.05 0.00 0.00 34.50 32.23 3a3t s PRO 177 CO 0.00 -0.15 -0.17 0.99 0.05 0.00 0.00 177.00 177.72 3a3t s THR 178 N -1.97 1.66 -0.14 1.26 2.01 -0.53 -5.00 115.64 112.93 3a3t s THR 178 Ca 0.62 -0.73 0.02 0.00 0.31 0.00 0.00 61.69 61.91 3a3t s THR 178 Cb -0.15 -1.51 0.00 0.00 0.01 0.00 0.00 72.50 70.86 3a3t s THR 178 CO 0.19 0.47 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.71 3a3t s VAL 179 N 1.06 2.37 -0.10 3.82 1.01 -1.26 0.29 120.40 127.59 3a3t s VAL 179 Ca -0.04 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.08 3a3t s VAL 179 Cb -0.15 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 3a3t s VAL 179 CO -0.04 0.53 -0.14 -0.63 0.00 0.00 0.00 175.10 174.82 3a3t s ILE 180 N 0.76 2.99 -0.12 2.22 -1.09 0.12 -0.92 121.20 125.16 3a3t s ILE 180 Ca -0.07 -0.71 -0.01 0.00 -2.23 0.00 0.00 60.65 57.63 3a3t s ILE 180 Cb -0.16 -2.22 -0.02 0.00 -1.58 0.00 0.00 42.46 38.48 3a3t s ILE 180 CO 0.00 0.55 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.49 3a3t s VAL 181 N -0.03 3.57 -1.06 2.92 1.01 0.12 -0.19 120.40 126.72 3a3t s VAL 181 Ca -0.03 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.45 3a3t s VAL 181 Cb -0.14 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.73 3a3t s VAL 181 CO 0.04 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.29 3a3t n GLY 182 N 3.05 1.04 3.38 4.51 0.00 -0.30 -1.75 105.19 115.12 3a3t n GLY 182 Ca -0.18 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3a3t n GLY 182 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a3t n GLY 183 N -0.44 2.07 0.00 -0.02 0.00 -1.26 -4.75 105.19 100.80 3a3t n GLY 183 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3a3t n GLY 183 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a3t n LYS 184 N -2.00 1.25 -4.06 1.61 5.02 -0.91 -0.91 118.16 118.17 3a3t n LYS 184 Ca 0.00 -0.01 -0.32 0.00 -2.02 0.00 0.00 58.31 55.96 3a3t n LYS 184 Cb 0.00 -1.04 -0.16 0.00 -0.02 0.00 0.00 35.03 33.81 3a3t n LYS 184 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3a3t s TYR 185 N -2.10 2.79 -0.18 2.13 2.02 -0.72 -0.97 117.35 120.32 3a3t s TYR 185 Ca -0.01 -1.83 -0.20 0.00 -0.37 0.00 0.00 57.07 54.66 3a3t s TYR 185 Cb 0.01 -1.82 -0.03 0.00 -0.40 0.00 0.00 41.96 39.72 3a3t s TYR 185 CO 0.07 -0.81 0.60 0.21 -1.57 0.00 0.00 175.55 174.06 3a3t s LYS 186 N 1.27 4.23 0.25 -0.62 2.20 -0.00 0.14 119.74 127.21 3a3t s LYS 186 Ca -0.02 0.58 -0.30 0.00 -0.36 0.00 0.00 55.97 55.88 3a3t s LYS 186 Cb -0.16 -3.55 -0.09 0.00 -1.51 0.00 0.00 37.83 32.51 3a3t s LYS 186 CO -0.09 -0.17 1.24 0.08 -0.36 0.00 0.00 175.35 176.05 3a3t s VAL 187 N 1.68 3.22 -0.42 4.02 1.01 -0.10 -0.61 120.40 129.19 3a3t s VAL 187 Ca 0.28 1.10 -0.10 0.00 0.00 0.00 0.00 61.98 63.26 3a3t s VAL 187 Cb -0.16 -3.70 0.07 0.00 0.00 0.00 0.00 36.38 32.59 3a3t s VAL 187 CO 0.11 0.21 0.27 -1.61 0.00 0.00 0.00 175.10 174.08 3a3t s GLU 188 N -0.86 2.68 0.02 2.72 0.41 0.13 -4.66 118.70 119.14 3a3t s GLU 188 Ca 0.51 -1.40 -0.30 0.00 -0.41 0.00 0.00 54.97 53.37 3a3t s GLU 188 Cb -0.36 -3.83 -0.04 0.00 -1.78 0.00 0.00 34.13 28.13 3a3t s GLU 188 CO 0.42 -0.94 1.02 -0.06 -0.49 0.00 0.00 175.26 175.22 3a3t s PHE 189 N 1.47 3.63 0.00 1.61 0.08 -1.26 -4.59 117.98 118.92 3a3t s PHE 189 Ca 0.03 1.63 0.00 0.00 0.12 0.00 0.00 56.93 58.71 3a3t s PHE 189 Cb -0.23 -3.17 0.00 0.00 -0.57 0.00 0.00 43.02 39.05 3a3t s PHE 189 CO 0.03 -0.24 0.00 0.00 -0.10 0.00 0.00 175.22 174.92 3a3t n ALA 190 N 3.82 0.00 -2.78 5.36 0.00 -1.26 -5.03 120.51 120.62 3a3t n ALA 190 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.26 3a3t n ALA 190 Cb 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.90 3a3t n ALA 190 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3a3t s ASP 191 N -1.00 5.32 0.16 0.00 -4.77 -1.26 -5.04 116.67 110.08 3a3t s ASP 191 Ca 0.00 -0.28 -0.13 0.00 -3.30 0.00 0.00 52.55 48.85 3a3t s ASP 191 Cb 0.00 -1.31 0.06 0.00 -1.09 0.00 0.00 42.92 40.58 3a3t s ASP 191 CO 0.00 0.01 1.71 -0.50 0.70 0.00 0.00 175.17 177.10 3a3t h TRP 192 N 1.96 0.86 -0.34 2.11 -0.00 -1.98 -1.93 115.95 116.63 3a3t h TRP 192 Ca -0.48 -0.07 0.00 0.00 -0.00 0.00 0.00 58.89 58.35 3a3t h TRP 192 Cb 1.22 -0.25 -0.02 0.00 -0.00 0.00 0.00 29.16 30.11 3a3t h TRP 192 CO 0.59 0.70 0.21 0.93 -0.00 0.00 0.00 178.44 180.87 3a3t h GLU 193 N 0.76 0.45 0.00 0.49 3.07 -1.99 -1.25 114.58 116.11 3a3t h GLU 193 Ca 0.18 -0.03 -0.11 0.00 -0.50 0.00 0.00 59.36 58.90 3a3t h GLU 193 Cb 0.22 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 3a3t h GLU 193 CO -0.01 0.32 -0.53 0.66 -1.40 0.00 0.00 179.01 178.05 3a3t h SER 194 N 0.45 0.00 -0.59 1.42 4.64 -1.97 -1.94 113.55 115.56 3a3t h SER 194 Ca 0.12 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.49 3a3t h SER 194 Cb -0.02 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.03 3a3t h SER 194 CO -0.02 0.53 0.39 1.23 -0.87 0.00 0.00 176.83 178.08 3a3t h GLY 195 N 1.81 0.74 1.28 -0.77 0.00 -0.45 -1.12 103.07 104.55 3a3t h GLY 195 Ca -0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 3a3t h GLY 195 CO 0.07 0.19 0.29 -0.33 0.00 0.00 0.00 176.54 176.76 3a3t h MET 196 N 0.61 0.93 -0.43 4.80 2.86 -0.46 -0.14 114.93 123.11 3a3t h MET 196 Ca 0.25 -0.13 -0.07 0.00 -2.06 0.00 0.00 59.70 57.69 3a3t h MET 196 Cb 0.22 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 3a3t h MET 196 CO -0.07 0.74 0.00 -0.91 1.06 0.00 0.00 176.91 177.73 3a3t h ASN 197 N 0.92 0.74 -0.74 1.22 -0.26 -1.25 -1.55 115.58 114.66 3a3t h ASN 197 Ca 0.22 -0.31 0.00 0.00 -0.56 0.00 0.00 56.30 55.66 3a3t h ASN 197 Cb 0.13 -0.20 -0.04 0.00 -1.06 0.00 0.00 38.32 37.15 3a3t h ASN 197 CO -0.03 0.86 0.48 0.74 -1.06 0.00 0.00 177.43 178.42 3a3t h THR 198 N 0.59 1.20 -0.49 2.81 2.02 -0.79 0.12 112.91 118.37 3a3t h THR 198 Ca 0.12 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 3a3t h THR 198 Cb 0.48 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 3a3t h THR 198 CO 0.02 0.20 0.24 0.40 0.37 0.00 0.00 175.52 176.75 3a3t h ILE 199 N 1.02 1.19 -0.43 3.11 2.04 -0.84 -0.54 117.51 123.05 3a3t h ILE 199 Ca 0.27 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 3a3t h ILE 199 Cb -0.09 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 3a3t h ILE 199 CO -0.06 0.21 0.13 0.44 0.00 0.00 0.00 178.15 178.87 3a3t h ASP 200 N 0.65 0.63 -0.23 1.72 3.32 -0.21 -1.49 116.42 120.81 3a3t h ASP 200 Ca 0.17 -0.21 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 3a3t h ASP 200 Cb 0.11 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3a3t h ASP 200 CO -0.02 0.68 -0.04 -0.07 -1.72 0.00 0.00 179.24 178.06 3a3t h LEU 201 N 0.56 0.54 -0.27 1.55 3.38 -0.69 -2.32 115.31 118.07 3a3t h LEU 201 Ca 0.14 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 3a3t h LEU 201 Cb 0.27 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3a3t h LEU 201 CO -0.00 0.64 -0.35 -0.07 0.09 0.00 0.00 178.44 178.75 3a3t h LEU 202 N 0.54 0.78 -0.59 1.67 3.38 -0.93 -2.05 115.31 118.10 3a3t h LEU 202 Ca 0.11 -0.50 0.08 0.00 0.09 0.00 0.00 57.88 57.66 3a3t h LEU 202 Cb 0.41 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 3a3t h LEU 202 CO 0.02 1.12 0.24 0.00 0.09 0.00 0.00 178.44 179.91 3a3t h ALA 203 N 0.68 0.76 -0.76 1.53 0.00 -1.06 0.30 119.26 120.70 3a3t h ALA 203 Ca 0.03 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3a3t h ALA 203 Cb 0.94 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 3a3t h ALA 203 CO 0.08 -0.16 0.36 -0.44 0.00 0.00 0.00 179.25 179.09 3a3t h ASP 204 N 0.44 0.99 -0.82 0.00 3.32 -1.36 -0.04 116.42 118.94 3a3t h ASP 204 Ca 0.29 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 3a3t h ASP 204 Cb 0.32 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 3a3t h ASP 204 CO -0.27 0.84 0.36 0.50 -1.72 0.00 0.00 179.24 178.95 3a3t h LYS 205 N 1.09 1.20 -0.27 3.56 3.64 -0.32 -0.72 116.57 124.75 3a3t h LYS 205 Ca 0.26 -0.20 -0.16 0.00 -1.27 0.00 0.00 60.65 59.28 3a3t h LYS 205 Cb 0.12 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3a3t h LYS 205 CO -0.03 0.95 -0.48 0.28 -2.27 0.00 0.00 179.45 177.90 3a3t h VAL 206 N 1.18 1.29 -0.41 2.00 2.07 -0.08 -2.45 116.25 119.85 3a3t h VAL 206 Ca 0.28 -1.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.09 3a3t h VAL 206 Cb 0.18 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 3a3t h VAL 206 CO -0.03 0.54 0.13 0.03 0.02 0.00 0.00 177.57 178.26 3a3t h ARG 207 N 0.57 0.64 0.00 1.57 3.08 -0.71 0.11 114.38 119.64 3a3t h ARG 207 Ca 0.03 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 3a3t h ARG 207 Cb 1.04 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.00 3a3t h ARG 207 CO 0.10 0.63 -0.06 0.93 -1.07 0.00 0.00 179.97 180.51 3a3t h GLU 208 N 0.52 0.00 0.00 0.04 4.39 -1.11 -1.76 114.58 116.66 3a3t h GLU 208 Ca 0.13 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.80 3a3t h GLU 208 Cb 0.26 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3a3t h GLU 208 CO -0.00 0.06 -0.20 0.93 -1.16 0.00 0.00 179.01 178.64 3a3t h GLU 209 N 0.00 0.00 0.00 2.33 5.08 -1.00 -3.30 114.58 117.69 3a3t h GLU 209 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3a3t h GLU 209 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3a3t h GLU 209 CO 0.01 0.95 0.11 1.04 -1.00 0.00 0.00 179.01 180.12 3a3t n GLN 210 N -4.59 0.12 -2.44 2.33 6.02 0.34 -3.08 117.38 116.08 3a3t n GLN 210 Ca -0.13 0.61 -0.41 0.00 -0.01 0.00 0.00 57.00 57.06 3a3t n GLN 210 Cb 0.49 -2.01 0.01 0.00 1.02 0.00 0.00 30.24 29.75 3a3t n GLN 210 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 3a3t n LYS 211 N -2.19 4.86 0.00 -1.09 4.81 -0.69 -5.08 118.16 118.79 3a3t n LYS 211 Ca -0.01 -4.14 0.00 0.00 -0.87 0.00 0.00 58.31 53.29 3a3t n LYS 211 Cb 0.14 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 32.62 3a3t n LYS 211 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57