#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x0s n ALA 2 N 0.00 0.00 -1.61 2.33 0.00 -1.26 -5.15 120.51 114.82 2x0s n ALA 2 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2x0s n ALA 2 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 2x0s n ALA 2 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2x0s s LYS 3 N 0.00 3.14 -0.23 0.00 2.47 -1.26 -5.05 119.74 118.82 2x0s s LYS 3 Ca 0.00 1.18 -0.02 0.00 -1.56 0.00 0.00 55.97 55.57 2x0s s LYS 3 Cb 0.00 -2.01 0.07 0.00 -1.46 0.00 0.00 37.83 34.43 2x0s s LYS 3 CO 0.00 -0.95 0.04 0.21 0.16 0.00 0.00 175.35 174.81 2x0s s LYS 4 N -4.29 0.74 0.00 4.03 2.20 -1.26 -5.01 119.74 116.15 2x0s s LYS 4 Ca 0.63 -0.62 0.23 0.00 -0.36 0.00 0.00 55.97 55.84 2x0s s LYS 4 Cb -0.16 -2.09 0.09 0.00 -1.51 0.00 0.00 37.83 34.16 2x0s s LYS 4 CO 0.42 -0.73 1.13 0.91 -0.36 0.00 0.00 175.35 176.71 2x0s n TRP 5 N 4.98 0.00 -3.80 4.03 7.02 -1.26 -4.94 117.44 123.47 2x0s n TRP 5 Ca -0.08 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.27 2x0s n TRP 5 Cb 0.45 -0.10 -0.14 0.00 -2.42 0.00 0.00 31.31 29.10 2x0s n TRP 5 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 2x0s s VAL 6 N -2.98 -0.03 -0.32 -0.99 1.01 -1.26 -2.30 120.40 113.53 2x0s s VAL 6 Ca 0.10 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.21 2x0s s VAL 6 Cb 0.17 -0.13 0.09 0.00 0.00 0.00 0.00 36.38 36.51 2x0s s VAL 6 CO 0.79 0.04 0.04 -0.31 0.00 0.00 0.00 175.10 175.65 2x0s s TYR 7 N 0.60 3.31 0.70 5.22 1.51 0.18 -4.90 117.35 123.97 2x0s s TYR 7 Ca -0.05 -2.66 -0.16 0.00 -1.01 0.00 0.00 57.07 53.19 2x0s s TYR 7 Cb -0.07 -2.55 0.02 0.00 -0.11 0.00 0.00 41.96 39.25 2x0s s TYR 7 CO -0.02 -0.92 1.22 -0.47 -1.11 0.00 0.00 175.55 174.25 2x0s s TYR 8 N 1.07 2.09 -0.12 2.71 5.04 -1.26 -0.67 117.35 126.21 2x0s s TYR 8 Ca 0.08 1.57 -0.16 0.00 -2.44 0.00 0.00 57.07 56.12 2x0s s TYR 8 Cb -0.19 -3.52 0.04 0.00 0.35 0.00 0.00 41.96 38.64 2x0s s TYR 8 CO -0.10 -2.63 0.41 -0.59 -1.34 0.00 0.00 175.55 171.30 2x0s s PHE 9 N -1.83 -0.41 0.00 4.97 -0.12 -0.77 -2.39 117.98 117.44 2x0s s PHE 9 Ca 0.76 0.92 0.00 0.00 -0.05 0.00 0.00 56.93 58.56 2x0s s PHE 9 Cb -0.31 0.16 0.00 0.00 -0.63 0.00 0.00 43.02 42.24 2x0s s PHE 9 CO 0.43 -0.29 0.00 0.41 -0.05 0.00 0.00 175.22 175.72 2x0s n GLY 10 N 2.33 4.04 0.29 1.99 0.00 -1.26 -2.69 105.19 109.88 2x0s n GLY 10 Ca -0.16 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.08 2x0s n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x0s n GLY 11 N 0.00 0.00 3.25 -0.02 0.00 -1.26 -4.51 105.19 102.65 2x0s n GLY 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2x0s n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x0s n GLY 12 N 0.07 2.29 0.59 -0.02 0.00 -1.26 -4.81 105.19 102.06 2x0s n GLY 12 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2x0s n GLY 12 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2x0s n ASN 13 N 0.00 1.26 -2.21 1.61 5.15 -1.26 -4.24 115.26 115.56 2x0s n ASN 13 Ca 0.00 0.19 -0.03 0.00 -0.60 0.00 0.00 54.58 54.14 2x0s n ASN 13 Cb 0.00 -0.48 -0.02 0.00 -0.53 0.00 0.00 39.78 38.75 2x0s n ASN 13 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2x0s n ALA 14 N -3.71 -3.42 -0.07 5.20 0.00 -1.26 -4.53 120.51 112.71 2x0s n ALA 14 Ca -0.05 1.22 0.00 0.00 0.00 0.00 0.00 53.44 54.60 2x0s n ALA 14 Cb 0.20 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.27 2x0s n ALA 14 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2x0s n ASP 15 N 0.90 0.00 -3.64 0.00 10.43 -1.00 -4.60 116.55 118.64 2x0s n ASP 15 Ca -0.20 0.08 -0.30 0.00 2.57 0.00 0.00 54.79 56.94 2x0s n ASP 15 Cb 0.30 -0.02 0.25 0.00 1.84 0.00 0.00 41.12 43.49 2x0s n ASP 15 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 2x0s s GLY 16 N -0.38 1.59 0.35 0.44 0.00 -1.26 -5.06 107.32 102.99 2x0s s GLY 16 Ca 0.00 -1.06 -0.02 0.00 0.00 0.00 0.00 44.72 43.64 2x0s s GLY 16 CO 0.00 -0.12 0.49 0.54 0.00 0.00 0.00 173.10 174.01 2x0s s ASN 17 N -3.97 0.98 0.00 1.64 2.20 -1.26 -4.78 114.94 109.74 2x0s s ASN 17 Ca 0.72 -1.51 0.16 0.00 -0.94 0.00 0.00 52.86 51.29 2x0s s ASN 17 Cb -0.08 0.68 0.91 0.00 -2.00 0.00 0.00 41.25 40.76 2x0s s ASN 17 CO 0.56 -1.32 1.40 2.29 -2.94 0.00 0.00 177.10 177.09 2x0s n LYS 18 N -0.58 0.42 -0.02 3.55 2.85 -1.26 -2.79 118.16 120.32 2x0s n LYS 18 Ca 0.01 0.04 -0.03 0.00 -1.05 0.00 0.00 58.31 57.29 2x0s n LYS 18 Cb 0.61 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 33.37 2x0s n LYS 18 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2x0s n ASN 19 N -1.09 0.48 -3.58 -5.58 3.02 -1.26 -4.60 115.26 102.64 2x0s n ASN 19 Ca 0.11 0.22 -0.41 0.00 -0.03 0.00 0.00 54.58 54.47 2x0s n ASN 19 Cb 0.08 0.64 -0.00 0.00 -0.61 0.00 0.00 39.78 39.89 2x0s n ASN 19 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2x0s n MET 20 N -2.78 4.11 0.09 3.52 0.00 -1.12 -4.49 117.12 116.45 2x0s n MET 20 Ca -0.17 -3.28 0.12 0.00 0.00 0.00 0.00 57.70 54.37 2x0s n MET 20 Cb 0.92 -2.77 0.45 0.00 0.00 0.00 0.00 33.22 31.82 2x0s n MET 20 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2x0s n LYS 21 N 2.81 0.17 0.05 0.03 5.02 -1.26 -1.25 118.16 123.73 2x0s n LYS 21 Ca 0.57 0.29 -0.12 0.00 -2.02 0.00 0.00 58.31 57.03 2x0s n LYS 21 Cb 0.29 -1.76 -0.01 0.00 -0.02 0.00 0.00 35.03 33.53 2x0s n LYS 21 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2x0s h GLU 22 N 0.00 0.42 0.03 1.97 3.07 -1.88 -2.73 114.58 115.46 2x0s h GLU 22 Ca 0.00 -0.39 -0.39 0.00 -0.50 0.00 0.00 59.36 58.08 2x0s h GLU 22 Cb 0.48 0.10 -0.06 0.00 -0.84 0.00 0.00 28.75 28.42 2x0s h GLU 22 CO 0.00 1.04 -2.34 1.28 -1.40 0.00 0.00 179.01 177.59 2x0s n LEU 23 N -3.80 2.71 -0.98 1.33 4.77 -1.16 -4.61 117.00 115.26 2x0s n LEU 23 Ca -0.05 0.03 0.11 0.00 -0.03 0.00 0.00 56.01 56.07 2x0s n LEU 23 Cb 0.76 -0.94 0.14 0.00 -2.33 0.00 0.00 43.42 41.05 2x0s n LEU 23 CO 0.50 0.84 0.64 0.18 -1.33 0.00 0.00 177.39 178.21 2x0s n LEU 24 N -3.50 3.07 -1.34 2.23 4.77 -0.38 -0.94 117.00 120.91 2x0s n LEU 24 Ca -0.44 -1.20 0.17 0.00 -0.03 0.00 0.00 56.01 54.51 2x0s n LEU 24 Cb 0.97 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.91 2x0s n LEU 24 CO 0.26 0.58 -0.42 0.61 -1.33 0.00 0.00 177.39 177.09 2x0s n GLY 25 N 1.32 -2.58 0.24 -0.72 0.00 -1.03 -2.30 105.19 100.13 2x0s n GLY 25 Ca 0.15 -1.13 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 2x0s n GLY 25 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2x0s h GLY 26 N -1.28 0.82 0.99 -0.02 0.00 -1.82 0.06 103.07 101.83 2x0s h GLY 26 Ca -0.08 -0.90 -0.00 0.00 0.00 0.00 0.00 47.33 46.35 2x0s h GLY 26 CO 0.04 0.81 0.33 0.50 0.00 0.00 0.00 176.54 178.22 2x0s h LYS 27 N 0.60 0.74 -0.15 4.80 1.57 -1.90 0.32 116.57 122.55 2x0s h LYS 27 Ca 0.03 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.63 2x0s h LYS 27 Cb 1.04 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.20 2x0s h LYS 27 CO 0.10 0.53 -0.36 0.78 -0.57 0.00 0.00 179.45 179.93 2x0s h GLY 28 N 0.73 0.55 0.71 3.86 0.00 -1.22 -0.43 103.07 107.27 2x0s h GLY 28 Ca 0.20 -0.69 0.01 0.00 0.00 0.00 0.00 47.33 46.85 2x0s h GLY 28 CO -0.04 0.61 -0.21 0.00 0.00 0.00 0.00 176.54 176.91 2x0s h ALA 29 N 0.54 -0.40 -0.18 3.60 0.00 -0.97 -2.17 119.26 119.69 2x0s h ALA 29 Ca -0.00 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.90 2x0s h ALA 29 Cb 0.97 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 2x0s h ALA 29 CO 0.08 -0.76 -0.41 -0.97 0.00 0.00 0.00 179.25 177.19 2x0s h ASN 30 N -0.43 -1.29 -0.56 0.00 -1.24 -0.87 0.17 115.58 111.36 2x0s h ASN 30 Ca 0.01 0.18 0.09 0.00 0.71 0.00 0.00 56.30 57.28 2x0s h ASN 30 Cb 0.42 0.54 -0.10 0.00 0.73 0.00 0.00 38.32 39.90 2x0s h ASN 30 CO -0.08 -0.41 -0.43 -0.07 -1.29 0.00 0.00 177.43 175.16 2x0s h LEU 31 N -0.45 -1.47 -0.07 0.34 3.38 -1.06 0.91 115.31 116.89 2x0s h LEU 31 Ca 0.09 0.24 0.03 0.00 0.09 0.00 0.00 57.88 58.33 2x0s h LEU 31 Cb 0.61 0.67 -0.06 0.00 0.09 0.00 0.00 40.66 41.97 2x0s h LEU 31 CO -0.42 -0.34 -0.49 0.00 0.09 0.00 0.00 178.44 177.28 2x0s h ALA 32 N 0.62 -0.80 -0.94 1.53 0.00 -0.64 0.13 119.26 119.16 2x0s h ALA 32 Ca 0.18 -0.05 0.27 0.00 0.00 0.00 0.00 54.91 55.31 2x0s h ALA 32 Cb 0.56 0.89 -0.17 0.00 0.00 0.00 0.00 17.79 19.08 2x0s h ALA 32 CO -0.68 -1.04 0.15 1.49 0.00 0.00 0.00 179.25 179.18 2x0s h GLU 33 N -0.59 0.08 -0.59 0.00 4.81 0.12 -1.66 114.58 116.75 2x0s h GLU 33 Ca 0.04 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 2x0s h GLU 33 Cb 0.68 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 2x0s h GLU 33 CO -0.38 0.05 0.24 0.52 -0.73 0.00 0.00 179.01 178.70 2x0s h MET 34 N 0.08 0.88 0.11 1.92 2.86 0.17 -1.52 114.93 119.43 2x0s h MET 34 Ca 0.60 -0.16 -0.27 0.00 -2.06 0.00 0.00 59.70 57.81 2x0s h MET 34 Cb 1.28 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.79 2x0s h MET 34 CO -0.80 0.75 -1.25 -0.24 1.06 0.00 0.00 176.91 176.43 2x0s h VAL 35 N 0.82 1.48 0.00 -2.22 3.04 -0.70 -2.41 116.25 116.26 2x0s h VAL 35 Ca 0.20 -3.08 -0.03 0.00 -1.01 0.00 0.00 66.70 62.78 2x0s h VAL 35 Cb 0.20 2.91 -0.00 0.00 -2.01 0.00 0.00 31.29 32.38 2x0s h VAL 35 CO -0.02 0.89 -0.12 0.78 -1.01 0.00 0.00 177.57 178.10 2x0s h ASN 36 N 0.06 0.00 0.70 3.17 2.35 -1.35 0.13 115.58 120.64 2x0s h ASN 36 Ca -0.13 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.53 2x0s h ASN 36 Cb 1.95 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.31 2x0s h ASN 36 CO 0.19 0.12 -0.42 0.25 -1.65 0.00 0.00 177.43 175.92 2x0s h LEU 37 N 0.00 0.00 0.00 1.61 6.46 -0.79 -3.47 115.31 119.12 2x0s h LEU 37 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2x0s h LEU 37 Cb 0.24 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.17 2x0s h LEU 37 CO 0.02 0.42 0.00 0.61 -0.62 0.00 0.00 178.44 178.86 2x0s n GLY 38 N 0.09 1.14 3.85 3.75 0.00 0.44 -5.09 105.19 109.38 2x0s n GLY 38 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 2x0s n GLY 38 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2x0s s ILE 39 N -2.00 5.12 -1.13 -0.61 -4.36 -1.13 -4.99 121.20 112.11 2x0s s ILE 39 Ca 0.00 0.65 -0.21 0.00 -0.26 0.00 0.00 60.65 60.82 2x0s s ILE 39 Cb 0.00 -3.65 -0.07 0.00 1.25 0.00 0.00 42.46 39.99 2x0s s ILE 39 CO 0.00 0.52 1.91 -0.81 0.24 0.00 0.00 174.94 176.81 2x0s n PRO 40 N 1.65 1.91 -3.57 0.37 -0.04 -1.26 -4.39 135.00 129.66 2x0s n PRO 40 Ca -0.14 -2.48 -0.37 0.00 -0.04 0.00 0.00 63.50 60.47 2x0s n PRO 40 Cb 0.53 -3.50 -0.07 0.00 -0.04 0.00 0.00 33.50 30.42 2x0s n PRO 40 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2x0s s VAL 41 N 8.26 5.26 0.19 0.52 1.01 -1.26 -1.88 120.40 132.50 2x0s s VAL 41 Ca 0.63 0.59 -0.33 0.00 0.00 0.00 0.00 61.98 62.86 2x0s s VAL 41 Cb 0.04 -3.62 -0.14 0.00 0.00 0.00 0.00 36.38 32.65 2x0s s VAL 41 CO 0.11 0.47 1.42 -2.65 0.00 0.00 0.00 175.10 174.45 2x0s n PRO 42 N 2.91 1.86 -0.31 2.72 -0.02 -1.26 -4.80 135.00 136.10 2x0s n PRO 42 Ca -0.13 0.66 -0.24 0.00 -2.02 0.00 0.00 63.50 61.77 2x0s n PRO 42 Cb 0.52 -2.33 0.23 0.00 -0.02 0.00 0.00 33.50 31.90 2x0s n PRO 42 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2x0s n PRO 43 N 2.47 -4.00 -2.10 0.52 -0.02 -1.26 -4.62 135.00 125.99 2x0s n PRO 43 Ca 0.14 -1.20 0.00 0.00 -2.02 0.00 0.00 63.50 60.42 2x0s n PRO 43 Cb 0.28 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 2x0s n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x0s n GLY 44 N -4.34 -0.25 3.21 -1.23 0.00 -1.09 -1.00 105.19 100.49 2x0s n GLY 44 Ca 0.11 -1.55 -0.09 0.00 0.00 0.00 0.00 46.02 44.49 2x0s n GLY 44 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2x0s s PHE 45 N -2.53 0.31 -0.02 1.61 -0.12 0.22 -1.85 117.98 115.60 2x0s s PHE 45 Ca 0.00 -0.74 0.04 0.00 -0.05 0.00 0.00 56.93 56.19 2x0s s PHE 45 Cb 0.00 -0.14 -0.03 0.00 -0.63 0.00 0.00 43.02 42.23 2x0s s PHE 45 CO 0.00 -0.56 -0.14 0.99 -0.05 0.00 0.00 175.22 175.46 2x0s s THR 46 N -3.91 3.11 -0.30 -4.49 2.01 0.16 -1.78 115.64 110.44 2x0s s THR 46 Ca 0.09 -0.84 -0.05 0.00 0.31 0.00 0.00 61.69 61.20 2x0s s THR 46 Cb 0.05 -2.27 0.03 0.00 0.01 0.00 0.00 72.50 70.32 2x0s s THR 46 CO -0.07 0.49 0.05 -0.63 -0.69 0.00 0.00 174.62 173.77 2x0s s ILE 47 N -0.83 3.55 0.64 1.82 1.01 -0.30 0.52 121.20 127.61 2x0s s ILE 47 Ca 0.13 -0.99 -0.18 0.00 0.00 0.00 0.00 60.65 59.61 2x0s s ILE 47 Cb -0.11 -2.91 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 2x0s s ILE 47 CO 0.03 0.00 1.26 0.35 0.00 0.00 0.00 174.94 176.58 2x0s n THR 48 N 4.78 4.73 -0.29 2.92 -2.24 -0.97 -1.70 114.28 121.50 2x0s n THR 48 Ca -0.14 -0.50 0.29 0.00 -2.27 0.00 0.00 64.05 61.43 2x0s n THR 48 Cb 0.46 -1.46 0.66 0.00 -2.10 0.00 0.00 70.33 67.88 2x0s n THR 48 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2x0s h THR 49 N 0.59 0.48 -0.43 4.28 1.35 -1.25 0.28 112.91 118.22 2x0s h THR 49 Ca -0.51 -0.05 0.01 0.00 -0.55 0.00 0.00 66.41 65.32 2x0s h THR 49 Cb 1.34 0.32 -0.02 0.00 -1.73 0.00 0.00 68.15 68.06 2x0s h THR 49 CO 0.53 0.03 0.27 -0.33 -0.25 0.00 0.00 175.52 175.76 2x0s h GLU 50 N 0.15 0.53 -0.63 4.72 5.08 -1.90 -0.02 114.58 122.51 2x0s h GLU 50 Ca 0.55 -0.03 0.13 0.00 -1.00 0.00 0.00 59.36 59.00 2x0s h GLU 50 Cb 1.88 -0.12 -0.10 0.00 0.50 0.00 0.00 28.75 30.91 2x0s h GLU 50 CO -0.11 0.35 0.07 0.00 -1.00 0.00 0.00 179.01 178.32 2x0s h ALA 51 N 1.17 0.70 0.05 3.43 0.00 -1.27 -0.49 119.26 122.84 2x0s h ALA 51 Ca 0.16 0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.26 2x0s h ALA 51 Cb -0.03 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2x0s h ALA 51 CO -0.06 -0.36 -0.13 0.00 0.00 0.00 0.00 179.25 178.70 2x0s h LYS 53 N -0.25 0.33 -0.09 0.00 1.63 -0.45 -0.22 116.57 117.52 2x0s h LYS 53 Ca 0.03 -0.02 0.03 0.00 -0.85 0.00 0.00 60.65 59.84 2x0s h LYS 53 Cb 0.28 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.84 2x0s h LYS 53 CO -0.10 0.22 0.26 1.15 -3.45 0.00 0.00 179.45 177.53 2x0s h THR 54 N 0.34 0.14 0.13 1.00 2.02 -0.96 -1.46 112.91 114.13 2x0s h THR 54 Ca 0.20 0.00 -0.34 0.00 0.77 0.00 0.00 66.41 67.04 2x0s h THR 54 Cb 0.18 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 2x0s h THR 54 CO -0.19 0.00 -1.78 0.22 0.37 0.00 0.00 175.52 174.14 2x0s h TYR 55 N 0.00 0.50 -0.26 3.16 3.20 -0.85 -3.22 116.97 119.51 2x0s h TYR 55 Ca 0.04 -0.37 -0.00 0.00 3.14 0.00 0.00 58.73 61.54 2x0s h TYR 55 Cb 0.57 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 2x0s h TYR 55 CO 0.00 1.57 0.15 1.96 -1.64 0.00 0.00 178.16 180.21 2x0s h GLN 56 N 0.08 0.36 -0.06 1.82 7.50 -0.80 -3.00 115.11 121.00 2x0s h GLN 56 Ca -0.34 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 58.77 2x0s h GLN 56 Cb 2.05 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 29.51 2x0s h GLN 56 CO 0.13 0.29 0.00 -0.85 -1.50 0.00 0.00 178.83 176.91 2x0s n GLU 57 N -4.86 1.33 -3.64 1.46 0.28 -0.97 -4.63 120.64 109.61 2x0s n GLU 57 Ca -0.02 -0.50 -0.06 0.00 -0.16 0.00 0.00 57.16 56.42 2x0s n GLU 57 Cb 0.06 -1.37 -0.07 0.00 1.43 0.00 0.00 31.44 31.49 2x0s n GLU 57 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 2x0s s THR 58 N -1.92 0.00 0.00 3.84 -1.32 -1.13 -5.04 115.64 110.06 2x0s s THR 58 Ca 0.33 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.81 2x0s s THR 58 Cb 0.16 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.15 2x0s s THR 58 CO 0.26 0.00 0.94 -0.62 -2.21 0.00 0.00 174.62 172.99 2x0s n GLU 59 N 2.96 0.76 -4.26 7.08 1.02 -1.23 -3.95 120.64 123.02 2x0s n GLU 59 Ca -0.15 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.74 2x0s n GLU 59 Cb 0.57 -1.12 -0.08 0.00 -0.02 0.00 0.00 31.44 30.79 2x0s n GLU 59 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2x0s s THR 60 N 0.30 3.51 -0.25 2.62 -4.23 -1.26 -5.06 115.64 111.26 2x0s s THR 60 Ca 0.00 -1.67 -0.00 0.00 -1.18 0.00 0.00 61.69 58.84 2x0s s THR 60 Cb 0.00 -2.81 0.04 0.00 1.34 0.00 0.00 72.50 71.07 2x0s s THR 60 CO 0.00 -0.22 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.15 2x0s s ILE 61 N -1.97 2.65 0.34 2.99 1.01 -1.26 -4.30 121.20 120.67 2x0s s ILE 61 Ca 0.29 -1.22 -0.25 0.00 0.00 0.00 0.00 60.65 59.47 2x0s s ILE 61 Cb -0.08 -2.40 -0.14 0.00 0.01 0.00 0.00 42.46 39.84 2x0s s ILE 61 CO 0.18 0.13 0.55 -2.65 0.00 0.00 0.00 174.94 173.15 2x0s n PRO 62 N 4.60 0.47 -0.13 2.79 -0.02 -1.26 -4.72 135.00 136.73 2x0s n PRO 62 Ca -0.16 0.17 0.06 0.00 -2.02 0.00 0.00 63.50 61.55 2x0s n PRO 62 Cb 0.46 -1.36 0.38 0.00 -0.02 0.00 0.00 33.50 32.96 2x0s n PRO 62 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2x0s h GLN 63 N 0.98 0.66 0.00 -0.52 5.75 -2.00 0.12 115.11 120.10 2x0s h GLN 63 Ca -0.37 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.09 2x0s h GLN 63 Cb 1.41 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.81 2x0s h GLN 63 CO 0.54 0.44 0.00 0.39 -2.65 0.00 0.00 178.83 177.55 2x0s n GLU 64 N -4.47 0.29 -0.03 1.69 4.71 -1.26 -1.23 120.64 120.33 2x0s n GLU 64 Ca 0.09 0.04 -0.22 0.00 -0.01 0.00 0.00 57.16 57.07 2x0s n GLU 64 Cb 0.20 -1.50 -0.13 0.00 -1.01 0.00 0.00 31.44 29.00 2x0s n GLU 64 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2x0s h VAL 65 N 0.00 0.80 0.00 2.62 2.07 -1.10 -3.00 116.25 117.63 2x0s h VAL 65 Ca 0.00 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.23 2x0s h VAL 65 Cb 0.29 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 2x0s h VAL 65 CO 0.00 0.66 0.00 0.00 0.02 0.00 0.00 177.57 178.25 2x0s n ALA 66 N -3.14 -0.13 -0.36 1.67 0.00 -0.95 -0.83 120.51 116.76 2x0s n ALA 66 Ca -0.31 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.09 2x0s n ALA 66 Cb 0.89 0.29 -0.00 0.00 0.00 0.00 0.00 19.45 20.64 2x0s n ALA 66 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2x0s n ASP 67 N -2.27 -0.71 -0.35 0.00 8.00 -0.37 0.25 116.55 121.10 2x0s n ASP 67 Ca 0.00 1.60 0.04 0.00 0.71 0.00 0.00 54.79 57.14 2x0s n ASP 67 Cb 0.00 -0.32 0.19 0.00 -0.02 0.00 0.00 41.12 40.98 2x0s n ASP 67 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 2x0s h GLN 68 N 0.00 1.02 -0.46 -1.24 4.15 -1.39 0.23 115.11 117.42 2x0s h GLN 68 Ca 0.26 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.54 2x0s h GLN 68 Cb 0.49 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 2x0s h GLN 68 CO -0.89 0.68 -0.02 0.28 -1.93 0.00 0.00 178.83 176.94 2x0s h VAL 69 N 1.05 1.26 -0.13 2.39 2.07 0.19 -2.20 116.25 120.88 2x0s h VAL 69 Ca 0.45 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 2x0s h VAL 69 Cb 0.30 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2x0s h VAL 69 CO -0.21 0.38 0.07 0.03 0.02 0.00 0.00 177.57 177.85 2x0s h ARG 70 N 0.67 0.18 -0.26 1.57 3.08 -0.05 -2.11 114.38 117.44 2x0s h ARG 70 Ca 0.13 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 2x0s h ARG 70 Cb 0.53 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 2x0s h ARG 70 CO 0.03 0.13 -0.08 0.93 -1.07 0.00 0.00 179.97 179.91 2x0s h GLU 71 N 0.18 0.42 0.02 0.04 4.39 -0.36 -3.07 114.58 116.20 2x0s h GLU 71 Ca 0.05 -0.10 -0.31 0.00 0.34 0.00 0.00 59.36 59.34 2x0s h GLU 71 Cb 0.01 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.56 2x0s h GLU 71 CO -0.01 0.51 -1.80 0.09 -1.16 0.00 0.00 179.01 176.65 2x0s n ASN 72 N -4.25 1.08 -0.23 1.42 3.02 -0.85 -3.60 115.26 111.85 2x0s n ASN 72 Ca 0.00 0.36 -0.02 0.00 -0.03 0.00 0.00 54.58 54.89 2x0s n ASN 72 Cb 0.28 -0.17 0.09 0.00 -0.61 0.00 0.00 39.78 39.36 2x0s n ASN 72 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2x0s h VAL 73 N 0.01 1.01 0.00 2.41 2.07 -1.41 0.60 116.25 120.94 2x0s h VAL 73 Ca -0.33 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2x0s h VAL 73 Cb 2.03 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 2x0s h VAL 73 CO 0.08 0.13 0.00 -1.54 0.02 0.00 0.00 177.57 176.26 2x0s n SER 74 N -4.75 0.17 -0.01 0.57 3.41 -1.16 -0.10 113.62 111.74 2x0s n SER 74 Ca 0.08 0.56 -0.19 0.00 -0.26 0.00 0.00 58.87 59.06 2x0s n SER 74 Cb 0.14 -0.59 -0.14 0.00 -0.26 0.00 0.00 64.21 63.36 2x0s n SER 74 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2x0s n ARG 75 N -1.71 0.73 -0.13 4.33 1.74 0.19 -3.12 116.66 118.69 2x0s n ARG 75 Ca 0.01 0.25 -0.10 0.00 -0.77 0.00 0.00 57.85 57.25 2x0s n ARG 75 Cb 0.09 -1.70 -0.01 0.00 -1.02 0.00 0.00 32.46 29.82 2x0s n ARG 75 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2x0s h VAL 76 N 0.06 1.22 0.03 1.55 2.07 0.15 -1.68 116.25 119.64 2x0s h VAL 76 Ca -0.43 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 66.36 2x0s h VAL 76 Cb 2.02 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 32.74 2x0s h VAL 76 CO 0.07 0.26 -0.30 -0.33 0.02 0.00 0.00 177.57 177.29 2x0s h GLU 77 N 0.47 -0.45 -0.74 1.57 5.08 -0.66 -1.27 114.58 118.58 2x0s h GLU 77 Ca 0.12 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.64 2x0s h GLU 77 Cb 0.30 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.56 2x0s h GLU 77 CO 0.00 -0.30 0.30 0.87 -1.00 0.00 0.00 179.01 178.89 2x0s h LYS 78 N -0.46 0.45 -0.29 2.33 1.57 -1.45 0.41 116.57 119.12 2x0s h LYS 78 Ca 0.05 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.68 2x0s h LYS 78 Cb 0.54 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 2x0s h LYS 78 CO -0.23 0.30 -0.33 1.49 -0.57 0.00 0.00 179.45 180.10 2x0s h GLU 79 N 0.46 0.74 0.13 3.15 4.57 -0.54 -3.21 114.58 119.88 2x0s h GLU 79 Ca 0.40 -0.40 -0.31 0.00 -1.18 0.00 0.00 59.36 57.86 2x0s h GLU 79 Cb 0.58 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 2x0s h GLU 79 CO -0.38 1.03 -1.58 0.52 -1.18 0.00 0.00 179.01 177.41 2x0s h MET 80 N 0.49 0.27 0.00 1.92 2.86 -0.96 -3.49 114.93 116.02 2x0s h MET 80 Ca 0.04 -0.46 0.00 0.00 -2.06 0.00 0.00 59.70 57.22 2x0s h MET 80 Cb 0.91 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.74 2x0s h MET 80 CO 0.08 1.14 0.00 0.41 1.06 0.00 0.00 176.91 179.60 2x0s n GLY 81 N 1.70 2.69 1.47 8.32 0.00 0.14 -5.09 105.19 114.43 2x0s n GLY 81 Ca -0.18 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 2x0s n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x0s n ALA 82 N 0.00 -1.81 -3.70 4.61 0.00 -1.24 -4.86 120.51 113.52 2x0s n ALA 82 Ca 0.00 -0.69 -0.20 0.00 0.00 0.00 0.00 53.44 52.55 2x0s n ALA 82 Cb 0.00 -0.05 -0.18 0.00 0.00 0.00 0.00 19.45 19.22 2x0s n ALA 82 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2x0s s LYS 83 N -4.01 0.05 -0.28 0.00 -0.14 0.72 -4.59 119.74 111.48 2x0s s LYS 83 Ca 0.30 0.31 -0.28 0.00 -1.36 0.00 0.00 55.97 54.94 2x0s s LYS 83 Cb -0.04 -0.56 -0.03 0.00 -1.68 0.00 0.00 37.83 35.52 2x0s s LYS 83 CO 0.24 -0.30 1.83 0.12 -0.76 0.00 0.00 175.35 176.47 2x0s s PHE 84 N 2.01 1.76 0.00 3.18 5.36 -1.26 -2.49 117.98 126.54 2x0s s PHE 84 Ca 0.03 0.56 0.00 0.00 -0.96 0.00 0.00 56.93 56.56 2x0s s PHE 84 Cb -0.12 -4.09 0.00 0.00 -0.34 0.00 0.00 43.02 38.47 2x0s s PHE 84 CO -0.03 -3.18 0.00 0.41 -1.46 0.00 0.00 175.22 170.95 2x0s n GLY 85 N 5.31 0.76 3.32 13.12 0.00 -1.26 -4.94 105.19 121.49 2x0s n GLY 85 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 2x0s n GLY 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2x0s s ASP 86 N -2.49 5.62 0.05 1.61 2.15 -1.04 -4.97 116.67 117.60 2x0s s ASP 86 Ca 0.00 -1.20 0.04 0.00 0.43 0.00 0.00 52.55 51.82 2x0s s ASP 86 Cb 0.00 -1.98 0.21 0.00 -0.30 0.00 0.00 42.92 40.85 2x0s s ASP 86 CO 0.00 -0.43 1.12 -2.65 -0.17 0.00 0.00 175.17 173.05 2x0s n PRO 87 N 4.93 0.02 -0.08 4.34 -0.02 -1.26 -1.53 135.00 141.40 2x0s n PRO 87 Ca -0.11 0.51 -0.16 0.00 -2.02 0.00 0.00 63.50 61.71 2x0s n PRO 87 Cb 0.45 -1.57 -0.10 0.00 -0.02 0.00 0.00 33.50 32.25 2x0s n PRO 87 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x0s h ALA 88 N 2.03 0.12 -2.84 3.55 0.00 -1.95 -3.42 119.26 116.76 2x0s h ALA 88 Ca 0.00 -0.80 -0.61 0.00 0.00 0.00 0.00 54.91 53.50 2x0s h ALA 88 Cb 0.02 0.39 -0.40 0.00 0.00 0.00 0.00 17.79 17.79 2x0s h ALA 88 CO 0.00 0.37 -0.74 1.21 0.00 0.00 0.00 179.25 180.10 2x0s s ASN 89 N -6.43 3.49 0.55 0.00 3.04 -1.05 -5.10 114.94 109.44 2x0s s ASN 89 Ca -0.22 -3.36 -0.18 0.00 0.04 0.00 0.00 52.86 49.14 2x0s s ASN 89 Cb 0.02 -1.14 -0.05 0.00 -1.54 0.00 0.00 41.25 38.54 2x0s s ASN 89 CO 0.56 -0.15 1.07 -2.16 -3.04 0.00 0.00 177.10 173.38 2x0s s PRO 90 N -0.61 3.43 -0.07 0.43 0.04 -0.58 -0.20 135.00 137.44 2x0s s PRO 90 Ca 0.26 1.38 0.02 0.00 0.04 0.00 0.00 61.00 62.70 2x0s s PRO 90 Cb -0.06 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.46 2x0s s PRO 90 CO -0.14 -0.74 -0.12 -1.17 0.04 0.00 0.00 177.00 174.87 2x0s s LEU 91 N -4.02 1.59 0.06 -3.56 0.20 -1.04 -4.43 118.68 107.48 2x0s s LEU 91 Ca 0.67 -0.30 0.07 0.00 0.69 0.00 0.00 54.13 55.26 2x0s s LEU 91 Cb -0.18 -0.83 -0.04 0.00 -0.43 0.00 0.00 46.19 44.71 2x0s s LEU 91 CO 0.29 0.01 -0.16 -0.76 -0.29 0.00 0.00 176.35 175.45 2x0s s LEU 92 N 0.80 2.75 0.26 -0.68 1.43 -1.26 -4.47 118.68 117.50 2x0s s LEU 92 Ca -0.12 -0.42 0.09 0.00 -1.03 0.00 0.00 54.13 52.65 2x0s s LEU 92 Cb -0.15 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 2x0s s LEU 92 CO 0.02 0.23 0.03 -0.36 0.23 0.00 0.00 176.35 176.50 2x0s s PHE 93 N -1.02 2.77 -0.09 0.29 0.40 -0.07 -0.75 117.98 119.52 2x0s s PHE 93 Ca 0.17 -0.20 0.02 0.00 -0.60 0.00 0.00 56.93 56.32 2x0s s PHE 93 Cb -0.11 -1.23 -0.02 0.00 0.51 0.00 0.00 43.02 42.17 2x0s s PHE 93 CO 0.08 0.60 -0.16 -1.54 0.70 0.00 0.00 175.22 174.90 2x0s s SER 94 N -3.68 3.82 -0.16 1.36 1.04 0.80 -0.77 113.70 116.11 2x0s s SER 94 Ca 0.32 -0.32 0.01 0.00 0.48 0.00 0.00 55.95 56.44 2x0s s SER 94 Cb -0.07 -1.19 0.02 0.00 0.10 0.00 0.00 66.02 64.88 2x0s s SER 94 CO 0.21 0.25 -0.19 -0.69 0.98 0.00 0.00 173.24 173.79 2x0s s VAL 95 N -0.14 1.90 0.07 5.02 1.01 0.13 -2.37 120.40 126.03 2x0s s VAL 95 Ca -0.02 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.12 2x0s s VAL 95 Cb -0.14 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 2x0s s VAL 95 CO 0.04 0.52 -0.06 -0.13 0.00 0.00 0.00 175.10 175.46 2x0s s ARG 96 N 1.17 0.69 0.25 2.72 0.52 -1.15 -0.04 118.95 123.11 2x0s s ARG 96 Ca 0.01 -1.10 -0.12 0.00 -0.52 0.00 0.00 55.73 54.00 2x0s s ARG 96 Cb -0.14 -0.18 -0.08 0.00 0.52 0.00 0.00 34.95 35.08 2x0s s ARG 96 CO -0.08 -0.01 0.61 -1.54 0.02 0.00 0.00 175.30 174.30 2x0s s SER 97 N -2.48 6.69 -0.55 0.23 1.04 -1.24 -0.78 113.70 116.61 2x0s s SER 97 Ca 0.03 1.04 -0.12 0.00 0.48 0.00 0.00 55.95 57.38 2x0s s SER 97 Cb -0.00 -2.28 0.14 0.00 0.10 0.00 0.00 66.02 63.98 2x0s s SER 97 CO -0.03 -0.10 0.47 -0.83 0.98 0.00 0.00 173.24 173.73 2x0s s GLY 98 N -2.29 2.16 0.00 7.32 0.00 -0.34 -4.81 107.32 109.37 2x0s s GLY 98 Ca 0.49 -2.68 0.00 0.00 0.00 0.00 0.00 44.72 42.53 2x0s s GLY 98 CO 0.20 1.17 0.00 0.00 0.00 0.00 0.00 173.10 174.47 2x0s n ALA 99 N 4.86 0.00 0.23 3.20 0.00 -1.26 -2.74 120.51 124.79 2x0s n ALA 99 Ca -0.07 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.55 2x0s n ALA 99 Cb 0.41 0.00 0.84 0.00 0.00 0.00 0.00 19.45 20.70 2x0s n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x0s h ALA 100 N 0.00 1.66 0.00 0.00 0.00 -1.93 -3.29 119.26 115.70 2x0s h ALA 100 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2x0s h ALA 100 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2x0s h ALA 100 CO 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 179.25 178.87 2x0s n ALA 101 N -2.16 0.88 -2.00 0.00 0.00 -1.26 -5.14 120.51 110.83 2x0s n ALA 101 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2x0s n ALA 101 Cb 0.40 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.02 2x0s n ALA 101 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2x0s n SER 102 N 0.47 0.00 0.00 0.00 2.88 -1.24 -5.15 113.62 110.57 2x0s n SER 102 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2x0s n SER 102 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2x0s n SER 102 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2x0s n MET 107 N 0.00 0.00 0.00 -1.46 2.81 -1.26 -5.21 117.12 112.00 2x0s n MET 107 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2x0s n MET 107 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 2x0s n MET 107 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2x0s n ASP 108 N 0.33 0.00 -3.76 7.83 8.00 -1.26 -4.88 116.55 122.81 2x0s n ASP 108 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 2x0s n ASP 108 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 2x0s n ASP 108 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2x0s s THR 109 N -0.34 -0.00 -0.12 -3.53 -1.32 -1.26 -3.63 115.64 105.44 2x0s s THR 109 Ca 0.00 0.01 0.02 0.00 -1.21 0.00 0.00 61.69 60.51 2x0s s THR 109 Cb 0.00 -0.47 0.01 0.00 -1.51 0.00 0.00 72.50 70.54 2x0s s THR 109 CO 0.00 0.00 -0.17 -0.69 -2.21 0.00 0.00 174.62 171.56 2x0s s VAL 110 N 0.28 1.63 0.35 5.08 1.01 0.95 -4.97 120.40 124.73 2x0s s VAL 110 Ca -0.01 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.30 2x0s s VAL 110 Cb -0.03 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 2x0s s VAL 110 CO -0.01 0.47 0.50 -0.76 0.00 0.00 0.00 175.10 175.31 2x0s s LEU 111 N 0.99 3.94 -2.06 3.92 1.43 -1.26 0.21 118.68 125.84 2x0s s LEU 111 Ca -0.06 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 2x0s s LEU 111 Cb -0.15 -2.87 0.00 0.00 0.03 0.00 0.00 46.19 43.21 2x0s s LEU 111 CO -0.02 -0.45 0.00 0.59 0.23 0.00 0.00 176.35 176.70 2x0s n ASN 112 N -1.71 -5.64 -4.67 2.29 3.02 -0.90 -4.87 115.26 102.76 2x0s n ASN 112 Ca -0.01 0.33 -0.46 0.00 -0.03 0.00 0.00 54.58 54.41 2x0s n ASN 112 Cb 0.58 -4.88 -0.04 0.00 -0.61 0.00 0.00 39.78 34.83 2x0s n ASN 112 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2x0s n LEU 113 N -2.61 3.17 0.00 3.41 0.00 0.05 -2.70 117.00 118.33 2x0s n LEU 113 Ca -0.22 1.08 0.00 0.00 0.00 0.00 0.00 56.01 56.87 2x0s n LEU 113 Cb 0.69 -1.44 0.00 0.00 0.00 0.00 0.00 43.42 42.67 2x0s n LEU 113 CO 0.31 -0.26 0.00 0.61 0.00 0.00 0.00 177.39 178.05 2x0s n GLY 114 N 3.40 1.14 3.73 -3.96 0.00 -1.26 -0.90 105.19 107.34 2x0s n GLY 114 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2x0s n GLY 114 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x0s s LEU 115 N 0.00 4.46 0.17 0.99 1.43 -1.10 -4.78 118.68 119.85 2x0s s LEU 115 Ca 0.00 1.82 -0.18 0.00 -1.03 0.00 0.00 54.13 54.74 2x0s s LEU 115 Cb 0.00 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 42.67 2x0s s LEU 115 CO 0.00 -0.15 0.51 0.54 0.23 0.00 0.00 176.35 177.48 2x0s s ASN 116 N 0.25 -0.31 0.20 2.29 4.22 -1.26 -4.93 114.94 115.40 2x0s s ASN 116 Ca 0.49 -0.35 -0.14 0.00 -2.14 0.00 0.00 52.86 50.72 2x0s s ASN 116 Cb -0.24 0.56 0.22 0.00 1.28 0.00 0.00 41.25 43.07 2x0s s ASN 116 CO 0.30 -0.99 1.64 0.11 -2.04 0.00 0.00 177.10 176.12 2x0s h LYS 117 N 2.20 0.02 0.03 3.55 1.57 -1.95 -0.56 116.57 121.43 2x0s h LYS 117 Ca -0.31 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.50 2x0s h LYS 117 Cb 1.27 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.52 2x0s h LYS 117 CO 0.40 0.01 -0.38 0.28 -0.57 0.00 0.00 179.45 179.19 2x0s h VAL 118 N 0.02 0.22 -0.35 0.50 2.07 -1.97 -1.00 116.25 115.73 2x0s h VAL 118 Ca 0.28 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.91 2x0s h VAL 118 Cb 0.44 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2x0s h VAL 118 CO -0.58 0.00 0.28 0.74 0.02 0.00 0.00 177.57 178.03 2x0s h THR 119 N -0.55 0.68 0.00 2.57 2.02 -1.46 -2.68 112.91 113.48 2x0s h THR 119 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.23 2x0s h THR 119 Cb 0.62 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 2x0s h THR 119 CO -0.28 0.00 -0.08 0.58 0.37 0.00 0.00 175.52 176.11 2x0s h VAL 120 N 0.00 0.00 -0.03 3.16 2.07 -0.51 -2.69 116.25 118.25 2x0s h VAL 120 Ca 0.17 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 2x0s h VAL 120 Cb 0.73 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2x0s h VAL 120 CO -0.00 0.00 0.02 -0.90 0.02 0.00 0.00 177.57 176.70 2x0s n ASP 121 N -4.33 2.99 0.00 0.57 5.75 -0.46 -1.27 116.55 119.80 2x0s n ASP 121 Ca -0.01 -2.04 0.00 0.00 -0.01 0.00 0.00 54.79 52.73 2x0s n ASP 121 Cb 0.04 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 39.62 2x0s n ASP 121 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2x0s n ALA 122 N 0.45 1.14 0.10 2.12 0.00 -1.01 -4.48 120.51 118.83 2x0s n ALA 122 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.27 2x0s n ALA 122 Cb 0.53 0.01 -0.14 0.00 0.00 0.00 0.00 19.45 19.84 2x0s n ALA 122 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 2x0s h TRP 123 N 0.00 0.59 -0.11 0.00 2.91 -0.83 -3.34 115.95 115.17 2x0s h TRP 123 Ca 0.00 -0.43 -0.02 0.00 1.13 0.00 0.00 58.89 59.57 2x0s h TRP 123 Cb 0.04 -0.02 -0.00 0.00 -0.51 0.00 0.00 29.16 28.66 2x0s h TRP 123 CO 0.00 1.38 -0.02 0.28 -1.03 0.00 0.00 178.44 179.05 2x0s h VAL 124 N 0.09 1.29 -0.04 2.65 2.07 -1.49 -2.97 116.25 117.84 2x0s h VAL 124 Ca -0.20 -0.94 -0.35 0.00 0.82 0.00 0.00 66.70 66.03 2x0s h VAL 124 Cb 2.03 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 33.46 2x0s h VAL 124 CO 0.21 0.27 1.00 -1.14 0.02 0.00 0.00 177.57 177.92 2x0s n ARG 125 N -4.76 2.58 0.00 1.57 0.63 -1.25 -2.87 116.66 112.55 2x0s n ARG 125 Ca -0.06 -1.44 0.00 0.00 -0.92 0.00 0.00 57.85 55.43 2x0s n ARG 125 Cb 0.24 -2.26 0.00 0.00 0.45 0.00 0.00 32.46 30.88 2x0s n ARG 125 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2x0s n ARG 126 N 2.79 0.00 -2.67 -0.14 0.63 -1.20 -4.90 116.66 111.18 2x0s n ARG 126 Ca 0.55 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 57.45 2x0s n ARG 126 Cb 0.69 0.00 0.03 0.00 0.45 0.00 0.00 32.46 33.63 2x0s n ARG 126 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2x0s s ALA 127 N 0.00 -4.67 -0.99 5.13 0.00 -1.13 -5.06 121.76 115.03 2x0s s ALA 127 Ca 0.00 0.73 0.08 0.00 0.00 0.00 0.00 51.96 52.78 2x0s s ALA 127 Cb 0.00 -3.01 0.40 0.00 0.00 0.00 0.00 23.12 20.51 2x0s s ALA 127 CO 0.00 -2.55 1.18 -2.30 0.00 0.00 0.00 175.76 172.10 2x0s n PRO 128 N 2.66 2.71 0.20 0.00 -0.02 -1.20 -2.86 135.00 136.49 2x0s n PRO 128 Ca 0.10 -1.56 0.06 0.00 -2.02 0.00 0.00 63.50 60.09 2x0s n PRO 128 Cb 0.65 -1.73 0.43 0.00 -0.02 0.00 0.00 33.50 32.83 2x0s n PRO 128 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x0s h ARG 129 N 2.12 0.00 -0.38 -0.52 3.08 -1.97 -3.27 114.38 113.43 2x0s h ARG 129 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2x0s h ARG 129 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 2x0s h ARG 129 CO 0.19 0.32 0.00 1.28 -1.07 0.00 0.00 179.97 180.68 2x0s n LEU 130 N -3.69 3.96 0.03 3.04 4.77 -1.14 -4.49 117.00 119.48 2x0s n LEU 130 Ca -0.01 -2.63 0.06 0.00 -0.03 0.00 0.00 56.01 53.40 2x0s n LEU 130 Cb 0.42 -0.48 0.48 0.00 -2.33 0.00 0.00 43.42 41.51 2x0s n LEU 130 CO 0.36 0.71 1.15 -0.08 -1.33 0.00 0.00 177.39 178.20 2x0s h GLU 131 N 2.48 0.41 -0.35 3.23 4.81 -1.74 0.80 114.58 124.23 2x0s h GLU 131 Ca 0.00 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 2x0s h GLU 131 Cb 1.30 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 2x0s h GLU 131 CO 0.19 0.27 -0.09 -0.09 -0.73 0.00 0.00 179.01 178.56 2x0s h ARG 132 N 0.42 0.67 -0.16 1.92 9.65 -1.87 -3.18 114.38 121.84 2x0s h ARG 132 Ca 0.15 -0.26 -0.04 0.00 -1.10 0.00 0.00 59.98 58.73 2x0s h ARG 132 Cb 0.07 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 28.61 2x0s h ARG 132 CO -0.03 0.84 -0.05 0.35 2.80 0.00 0.00 179.97 183.88 2x0s h PHE 133 N 0.46 0.36 -0.16 2.20 3.57 -1.23 -2.12 116.94 120.01 2x0s h PHE 133 Ca 0.09 -0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.56 2x0s h PHE 133 Cb 0.59 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.19 2x0s h PHE 133 CO 0.05 0.60 -0.21 0.28 -2.23 0.00 0.00 178.31 176.80 2x0s h VAL 134 N 0.01 0.47 -0.73 1.41 2.07 -1.15 -0.03 116.25 118.31 2x0s h VAL 134 Ca 0.04 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.50 2x0s h VAL 134 Cb 0.49 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2x0s h VAL 134 CO 0.02 0.00 0.23 1.88 0.02 0.00 0.00 177.57 179.72 2x0s h TYR 135 N -0.25 1.16 -0.30 1.57 0.05 -1.57 0.22 116.97 117.85 2x0s h TYR 135 Ca 0.11 -0.11 0.07 0.00 0.05 0.00 0.00 58.73 58.85 2x0s h TYR 135 Cb 0.41 -0.34 -0.08 0.00 1.01 0.00 0.00 36.73 37.73 2x0s h TYR 135 CO -0.33 0.92 -0.30 0.22 -1.05 0.00 0.00 178.16 177.62 2x0s h ASP 136 N 1.07 -0.98 -0.69 3.88 3.58 -0.65 -0.09 116.42 122.53 2x0s h ASP 136 Ca 0.24 0.17 -0.03 0.00 0.42 0.00 0.00 57.03 57.82 2x0s h ASP 136 Cb 0.30 0.45 -0.03 0.00 1.72 0.00 0.00 39.33 41.76 2x0s h ASP 136 CO -0.01 -0.32 0.31 0.28 -2.88 0.00 0.00 179.24 176.62 2x0s h SER 137 N -0.28 0.95 0.19 2.28 0.02 -0.49 0.45 113.55 116.67 2x0s h SER 137 Ca 0.15 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2x0s h SER 137 Cb 0.52 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2x0s h SER 137 CO -0.46 0.82 -0.09 0.22 -1.14 0.00 0.00 176.83 176.18 2x0s h TYR 138 N 1.02 -0.24 -0.99 3.45 3.20 0.10 0.41 116.97 123.93 2x0s h TYR 138 Ca 0.24 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.14 2x0s h TYR 138 Cb 0.15 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.45 2x0s h TYR 138 CO 0.01 0.08 0.65 0.07 -1.64 0.00 0.00 178.16 177.34 2x0s h ARG 139 N -0.57 1.23 -0.01 1.82 -0.00 -1.00 0.56 114.38 116.40 2x0s h ARG 139 Ca -0.03 -0.07 0.02 0.00 -0.00 0.00 0.00 59.98 59.90 2x0s h ARG 139 Cb 0.43 -0.28 -0.03 0.00 -0.00 0.00 0.00 29.97 30.09 2x0s h ARG 139 CO 0.04 0.82 -0.12 0.00 -0.00 0.00 0.00 179.97 180.70 2x0s h ARG 140 N 1.27 -0.20 -0.54 0.08 3.08 -0.70 -2.18 114.38 115.20 2x0s h ARG 140 Ca 0.39 0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.35 2x0s h ARG 140 Cb -0.03 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 2x0s h ARG 140 CO -0.11 -0.13 -0.06 0.35 -1.07 0.00 0.00 179.97 178.94 2x0s h PHE 141 N -0.20 1.10 -0.40 3.04 3.57 0.74 -1.37 116.94 123.41 2x0s h PHE 141 Ca 0.05 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 61.34 2x0s h PHE 141 Cb 0.27 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 2x0s h PHE 141 CO -0.19 1.01 0.25 0.82 -2.23 0.00 0.00 178.31 177.97 2x0s h ILE 142 N 0.86 1.11 -0.00 1.41 2.04 0.20 0.65 117.51 123.78 2x0s h ILE 142 Ca 0.14 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 2x0s h ILE 142 Cb 0.61 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 2x0s h ILE 142 CO 0.04 0.11 -0.01 0.74 0.00 0.00 0.00 178.15 179.03 2x0s h THR 143 N 0.54 1.60 -0.91 -0.27 2.02 -0.77 -2.53 112.91 112.60 2x0s h THR 143 Ca 0.15 -1.77 0.16 0.00 0.77 0.00 0.00 66.41 65.72 2x0s h THR 143 Cb -0.04 2.80 -0.10 0.00 -1.74 0.00 0.00 68.15 69.07 2x0s h THR 143 CO -0.03 0.46 0.50 0.24 0.37 0.00 0.00 175.52 177.06 2x0s h MET 144 N -0.74 0.66 0.58 6.66 2.86 -0.99 0.55 114.93 124.50 2x0s h MET 144 Ca -0.00 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 2x0s h MET 144 Cb 0.76 -0.15 0.01 0.00 0.06 0.00 0.00 31.60 32.28 2x0s h MET 144 CO 0.00 0.43 -0.28 -0.92 1.06 0.00 0.00 176.91 177.21 2x0s h TYR 145 N 0.68 -0.72 -0.66 -0.22 5.03 -0.88 -1.66 116.97 118.54 2x0s h TYR 145 Ca 0.50 -0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.85 2x0s h TYR 145 Cb 0.73 0.24 -0.05 0.00 1.55 0.00 0.00 36.73 39.20 2x0s h TYR 145 CO -0.06 -0.45 0.37 0.00 -1.32 0.00 0.00 178.16 176.70 2x0s h ALA 146 N -1.61 0.87 0.44 1.82 0.00 -0.99 0.86 119.26 120.65 2x0s h ALA 146 Ca -0.08 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2x0s h ALA 146 Cb 0.59 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2x0s h ALA 146 CO 0.13 0.05 -0.32 0.22 0.00 0.00 0.00 179.25 179.33 2x0s h ASP 147 N 0.68 -0.84 0.08 0.00 3.58 -0.92 0.17 116.42 119.17 2x0s h ASP 147 Ca 0.29 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.79 2x0s h ASP 147 Cb 0.17 0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.47 2x0s h ASP 147 CO -0.17 -0.46 -0.04 0.40 -2.88 0.00 0.00 179.24 176.09 2x0s h ILE 148 N -0.72 0.82 -0.00 2.25 2.04 -1.11 0.13 117.51 120.92 2x0s h ILE 148 Ca -0.06 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.39 2x0s h ILE 148 Cb 0.60 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 2x0s h ILE 148 CO 0.02 0.25 -0.11 0.55 0.00 0.00 0.00 178.15 178.87 2x0s n VAL 149 N -4.80 0.00 0.00 1.67 3.14 0.28 -3.83 118.33 114.79 2x0s n VAL 149 Ca -0.06 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 2x0s n VAL 149 Cb 0.24 -0.32 0.00 0.00 -1.06 0.00 0.00 33.84 32.70 2x0s n VAL 149 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 2x0s n MET 150 N -1.44 3.36 -3.38 1.45 2.81 -1.01 -4.91 117.12 114.01 2x0s n MET 150 Ca 0.08 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.81 2x0s n MET 150 Cb 0.32 -0.52 0.03 0.00 -0.71 0.00 0.00 33.22 32.34 2x0s n MET 150 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2x0s n GLN 151 N -0.72 -1.53 -0.08 0.03 6.02 0.47 -4.91 117.38 116.66 2x0s n GLN 151 Ca 0.00 0.97 0.01 0.00 -0.01 0.00 0.00 57.00 57.96 2x0s n GLN 151 Cb 0.00 -4.83 0.01 0.00 1.02 0.00 0.00 30.24 26.45 2x0s n GLN 151 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 2x0s n VAL 152 N -2.88 0.47 -2.10 5.09 3.14 -1.14 -5.02 118.33 115.88 2x0s n VAL 152 Ca -0.09 -0.51 0.00 0.00 -2.96 0.00 0.00 64.34 60.79 2x0s n VAL 152 Cb 0.58 0.66 0.00 0.00 -1.06 0.00 0.00 33.84 34.02 2x0s n VAL 152 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2x0s n GLY 153 N -0.28 -1.82 0.00 7.55 0.00 -1.26 -4.90 105.19 104.48 2x0s n GLY 153 Ca 0.02 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.34 2x0s n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x0s n ARG 154 N 0.00 0.00 0.00 1.61 1.74 -1.26 -4.12 116.66 114.64 2x0s n ARG 154 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2x0s n ARG 154 Cb 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.45 2x0s n ARG 154 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2x0s n GLU 155 N -0.06 0.00 -0.12 5.56 4.71 -1.26 -0.01 120.64 129.47 2x0s n GLU 155 Ca 0.00 0.30 -0.21 0.00 -0.01 0.00 0.00 57.16 57.25 2x0s n GLU 155 Cb 0.00 -1.72 -0.12 0.00 -1.01 0.00 0.00 31.44 28.60 2x0s n GLU 155 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2x0s n ASP 156 N -1.32 1.99 0.07 1.62 8.00 -1.26 -3.15 116.55 122.50 2x0s n ASP 156 Ca -0.00 0.01 -0.09 0.00 0.71 0.00 0.00 54.79 55.42 2x0s n ASP 156 Cb 0.21 -0.55 0.02 0.00 -0.02 0.00 0.00 41.12 40.77 2x0s n ASP 156 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2x0s h PHE 157 N -0.22 0.40 -0.23 1.24 -1.00 -1.46 -1.80 116.94 113.87 2x0s h PHE 157 Ca -0.58 -0.20 0.00 0.00 2.81 0.00 0.00 57.97 60.00 2x0s h PHE 157 Cb 1.84 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 41.34 2x0s h PHE 157 CO 0.01 0.97 0.15 1.49 -1.61 0.00 0.00 178.31 179.33 2x0s h GLU 158 N 0.18 0.31 0.28 1.51 4.57 -0.62 -0.50 114.58 120.31 2x0s h GLU 158 Ca -0.04 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 2x0s h GLU 158 Cb 1.40 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 2x0s h GLU 158 CO 0.13 0.22 -0.13 0.93 -1.18 0.00 0.00 179.01 178.98 2x0s h GLU 159 N 0.30 -0.36 0.00 1.92 5.08 -1.49 -2.00 114.58 118.04 2x0s h GLU 159 Ca 0.08 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2x0s h GLU 159 Cb -0.02 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2x0s h GLU 159 CO -0.02 -0.14 0.00 0.00 -1.00 0.00 0.00 179.01 177.85 2x0s h ALA 160 N 0.17 1.00 0.24 3.43 0.00 -1.27 0.30 119.26 123.13 2x0s h ALA 160 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2x0s h ALA 160 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2x0s h ALA 160 CO 0.06 0.00 -0.12 1.25 0.00 0.00 0.00 179.25 180.45 2x0s h LEU 161 N 0.00 -0.27 -1.64 0.00 5.85 -0.77 -3.20 115.31 115.29 2x0s h LEU 161 Ca 0.00 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.83 2x0s h LEU 161 Cb 0.21 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 2x0s h LEU 161 CO 0.00 0.06 0.42 0.77 -0.34 0.00 0.00 178.44 179.35 2x0s h SER 162 N -0.84 0.37 0.17 1.25 4.64 -1.10 0.64 113.55 118.68 2x0s h SER 162 Ca -0.03 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2x0s h SER 162 Cb 0.25 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2x0s h SER 162 CO 0.05 0.22 0.00 -0.09 -0.87 0.00 0.00 176.83 176.14 2x0s h ARG 163 N 0.40 0.00 0.00 4.77 2.43 -0.51 0.06 114.38 121.53 2x0s h ARG 163 Ca 0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 2x0s h ARG 163 Cb 0.59 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2x0s h ARG 163 CO -0.08 0.00 -1.35 -0.12 -1.51 0.00 0.00 179.97 176.91 2x0s n MET 164 N -2.50 0.68 0.07 0.20 1.56 0.21 -3.77 117.12 113.57 2x0s n MET 164 Ca -0.01 -0.08 -0.13 0.00 -0.27 0.00 0.00 57.70 57.21 2x0s n MET 164 Cb 0.09 -1.42 -0.14 0.00 2.15 0.00 0.00 33.22 33.90 2x0s n MET 164 CO 0.00 0.00 0.00 0.87 -0.73 0.00 0.00 175.97 176.11 2x0s h LYS 165 N 0.00 0.16 -0.02 2.12 1.57 -0.01 -3.21 116.57 117.18 2x0s h LYS 165 Ca 0.00 -0.28 -0.16 0.00 -1.87 0.00 0.00 60.65 58.34 2x0s h LYS 165 Cb 0.65 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 2x0s h LYS 165 CO 0.00 1.05 -0.72 1.05 -0.57 0.00 0.00 179.45 180.26 2x0s h GLU 166 N 0.04 0.11 0.00 3.15 4.11 -1.53 -0.03 114.58 120.44 2x0s h GLU 166 Ca -0.15 -0.10 -0.03 0.00 0.07 0.00 0.00 59.36 59.15 2x0s h GLU 166 Cb 1.94 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 31.20 2x0s h GLU 166 CO 0.16 0.78 -0.16 0.00 0.07 0.00 0.00 179.01 179.86 2x0s h ARG 167 N 0.07 0.00 0.00 1.06 3.08 -1.65 -2.86 114.38 114.08 2x0s h ARG 167 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2x0s h ARG 167 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.32 2x0s h ARG 167 CO 0.10 0.16 -1.30 0.54 -1.07 0.00 0.00 179.97 178.39 2x0s n ARG 168 N -3.84 0.81 -0.33 0.04 5.12 -1.16 -5.03 116.66 112.28 2x0s n ARG 168 Ca -0.02 -0.08 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 2x0s n ARG 168 Cb 0.26 -1.40 0.00 0.00 -1.16 0.00 0.00 32.46 30.16 2x0s n ARG 168 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2x0s n GLY 169 N 1.43 0.83 3.85 -0.13 0.00 -0.06 -5.08 105.19 106.03 2x0s n GLY 169 Ca 0.00 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 2x0s n GLY 169 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2x0s s THR 170 N -2.00 1.56 -1.43 2.61 -4.23 -1.01 -5.01 115.64 106.13 2x0s s THR 170 Ca 0.00 -1.67 0.12 0.00 -1.18 0.00 0.00 61.69 58.97 2x0s s THR 170 Cb 0.00 -2.22 0.07 0.00 1.34 0.00 0.00 72.50 71.69 2x0s s THR 170 CO 0.00 0.00 0.84 1.17 -0.54 0.00 0.00 174.62 176.09 2x0s n LYS 171 N -1.56 1.12 -4.47 3.99 4.81 -1.26 -4.34 118.16 116.44 2x0s n LYS 171 Ca -0.07 -1.08 -0.31 0.00 -0.87 0.00 0.00 58.31 55.99 2x0s n LYS 171 Cb 0.65 -1.21 -0.11 0.00 0.02 0.00 0.00 35.03 34.37 2x0s n LYS 171 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2x0s s PHE 172 N -1.20 2.65 0.06 5.64 0.40 -1.26 -4.99 117.98 119.28 2x0s s PHE 172 Ca 0.13 -0.20 0.20 0.00 -0.60 0.00 0.00 56.93 56.47 2x0s s PHE 172 Cb 0.10 -1.46 0.63 0.00 0.51 0.00 0.00 43.02 42.80 2x0s s PHE 172 CO 0.20 0.33 1.70 -0.44 0.70 0.00 0.00 175.22 177.72 2x0s h ASP 173 N 4.20 0.00 -0.03 1.36 5.19 -1.97 -3.25 116.42 121.92 2x0s h ASP 173 Ca -0.48 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 55.94 2x0s h ASP 173 Cb 1.16 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.67 2x0s h ASP 173 CO 0.49 0.33 0.06 0.74 -3.12 0.00 0.00 179.24 177.74 2x0s h THR 174 N 0.00 0.29 0.00 0.35 2.02 -2.03 -2.05 112.91 111.50 2x0s h THR 174 Ca -0.00 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 66.98 2x0s h THR 174 Cb 0.95 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 68.27 2x0s h THR 174 CO 0.04 0.00 -1.81 0.47 0.37 0.00 0.00 175.52 174.59 2x0s n ASP 175 N -3.50 0.46 -4.66 4.18 8.00 -1.22 -4.92 116.55 114.88 2x0s n ASP 175 Ca -0.02 0.20 -0.44 0.00 0.71 0.00 0.00 54.79 55.24 2x0s n ASP 175 Cb 0.14 0.73 -0.02 0.00 -0.02 0.00 0.00 41.12 41.95 2x0s n ASP 175 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2x0s n LEU 176 N -2.74 2.98 -4.93 0.64 4.32 -0.77 -4.98 117.00 111.53 2x0s n LEU 176 Ca -0.16 1.18 -0.20 0.00 -0.02 0.00 0.00 56.01 56.81 2x0s n LEU 176 Cb 0.89 -1.42 -0.02 0.00 -1.62 0.00 0.00 43.42 41.26 2x0s n LEU 176 CO 0.44 -0.69 0.00 0.42 -1.22 0.00 0.00 177.39 176.34 2x0s s THR 177 N -0.70 3.68 0.21 -5.08 -4.23 -1.26 -4.88 115.64 103.37 2x0s s THR 177 Ca 0.61 -1.17 -0.03 0.00 -1.18 0.00 0.00 61.69 59.92 2x0s s THR 177 Cb -0.63 -3.26 0.31 0.00 1.34 0.00 0.00 72.50 70.26 2x0s s THR 177 CO 0.57 -0.14 1.10 0.00 -0.54 0.00 0.00 174.62 175.61 2x0s n ALA 178 N -1.54 0.25 0.02 3.99 0.00 -1.26 0.13 120.51 122.10 2x0s n ALA 178 Ca 0.00 0.77 -0.04 0.00 0.00 0.00 0.00 53.44 54.17 2x0s n ALA 178 Cb 0.59 -0.50 0.18 0.00 0.00 0.00 0.00 19.45 19.72 2x0s n ALA 178 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2x0s h SER 179 N 0.00 0.47 0.06 0.00 4.64 -1.95 -1.17 113.55 115.60 2x0s h SER 179 Ca 0.38 -0.18 -0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2x0s h SER 179 Cb 0.67 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2x0s h SER 179 CO -0.70 0.77 -0.03 0.44 -0.87 0.00 0.00 176.83 176.44 2x0s h ASP 180 N 0.40 -0.07 -0.53 4.97 3.32 0.68 -2.71 116.42 122.47 2x0s h ASP 180 Ca 0.05 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.69 2x0s h ASP 180 Cb 0.76 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.30 2x0s h ASP 180 CO 0.06 0.39 0.35 -0.07 -1.72 0.00 0.00 179.24 178.25 2x0s h LEU 181 N -0.54 0.61 -0.71 1.55 3.38 -0.60 0.35 115.31 119.35 2x0s h LEU 181 Ca -0.01 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.05 2x0s h LEU 181 Cb 0.48 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.99 2x0s h LEU 181 CO 0.01 0.45 0.32 0.50 0.09 0.00 0.00 178.44 179.81 2x0s h LYS 182 N 0.72 0.51 0.56 1.13 3.64 -1.25 0.98 116.57 122.86 2x0s h LYS 182 Ca 0.19 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 2x0s h LYS 182 Cb -0.08 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.62 2x0s h LYS 182 CO -0.04 0.34 -0.32 0.93 -2.27 0.00 0.00 179.45 178.08 2x0s h GLU 183 N 0.52 -0.80 -0.52 1.90 5.08 -0.90 -0.75 114.58 119.11 2x0s h GLU 183 Ca 0.36 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.83 2x0s h GLU 183 Cb 0.45 0.18 -0.07 0.00 0.50 0.00 0.00 28.75 29.81 2x0s h GLU 183 CO -0.32 -0.53 -0.38 1.25 -1.00 0.00 0.00 179.01 178.03 2x0s h LEU 184 N -0.83 -1.35 -0.85 1.33 5.85 0.19 -0.63 115.31 119.02 2x0s h LEU 184 Ca -0.07 0.20 0.19 0.00 0.84 0.00 0.00 57.88 59.04 2x0s h LEU 184 Cb 0.67 0.58 -0.11 0.00 0.37 0.00 0.00 40.66 42.17 2x0s h LEU 184 CO 0.08 -0.19 0.36 0.00 -0.34 0.00 0.00 178.44 178.35 2x0s h ASP 186 N 0.42 0.53 0.11 0.00 3.32 0.32 0.14 116.42 121.26 2x0s h ASP 186 Ca 0.51 -0.24 -0.20 0.00 0.02 0.00 0.00 57.03 57.12 2x0s h ASP 186 Cb 0.90 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.30 2x0s h ASP 186 CO -0.49 0.89 -0.75 1.23 -1.72 0.00 0.00 179.24 178.40 2x0s h GLY 187 N 1.10 0.60 1.15 2.75 0.00 -0.38 -3.00 103.07 105.29 2x0s h GLY 187 Ca 0.03 -0.85 0.04 0.00 0.00 0.00 0.00 47.33 46.55 2x0s h GLY 187 CO 0.08 0.76 0.49 -0.97 0.00 0.00 0.00 176.54 176.89 2x0s h TYR 188 N 0.37 0.86 -0.35 5.60 -1.99 0.16 0.34 116.97 121.96 2x0s h TYR 188 Ca -0.04 0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.65 2x0s h TYR 188 Cb 1.34 -0.29 -0.02 0.00 2.00 0.00 0.00 36.73 39.77 2x0s h TYR 188 CO 0.06 0.50 -0.04 -0.07 -0.00 0.00 0.00 178.16 178.61 2x0s h LEU 189 N 0.89 0.54 0.00 3.88 3.38 -0.63 0.13 115.31 123.51 2x0s h LEU 189 Ca 0.30 -0.12 -0.32 0.00 0.09 0.00 0.00 57.88 57.82 2x0s h LEU 189 Cb 0.07 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 2x0s h LEU 189 CO -0.09 0.64 -2.02 -1.84 0.09 0.00 0.00 178.44 175.22 2x0s n GLU 190 N -4.24 0.66 0.02 1.13 0.28 -0.97 -2.36 120.64 115.16 2x0s n GLU 190 Ca 0.01 0.15 0.03 0.00 -0.16 0.00 0.00 57.16 57.20 2x0s n GLU 190 Cb 0.28 -1.67 0.41 0.00 1.43 0.00 0.00 31.44 31.90 2x0s n GLU 190 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2x0s h LEU 191 N 0.00 0.44 0.23 -1.84 5.85 -0.12 -2.46 115.31 117.40 2x0s h LEU 191 Ca -0.40 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 2x0s h LEU 191 Cb 2.11 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 43.03 2x0s h LEU 191 CO 0.06 0.37 -0.11 0.15 -0.34 0.00 0.00 178.44 178.56 2x0s h PHE 192 N 0.50 -0.28 0.00 1.25 3.57 -0.81 -2.28 116.94 118.88 2x0s h PHE 192 Ca 0.13 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.62 2x0s h PHE 192 Cb 0.03 0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.87 2x0s h PHE 192 CO 0.00 0.10 0.00 -1.91 -2.23 0.00 0.00 178.31 174.27 2x0s n GLU 193 N -5.00 0.00 0.06 1.11 2.13 -0.96 -2.41 120.64 115.57 2x0s n GLU 193 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 2x0s n GLU 193 Cb 0.26 -1.09 0.00 0.00 0.27 0.00 0.00 31.44 30.88 2x0s n GLU 193 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2x0s n LEU 194 N 0.59 0.02 -0.47 4.31 7.94 -1.02 -4.73 117.00 123.64 2x0s n LEU 194 Ca 0.00 0.19 0.41 0.00 -1.11 0.00 0.00 56.01 55.50 2x0s n LEU 194 Cb 0.00 0.12 0.65 0.00 0.53 0.00 0.00 43.42 44.73 2x0s n LEU 194 CO 0.00 -0.62 1.38 0.11 -1.11 0.00 0.00 177.39 177.15 2x0s h LYS 195 N 0.00 0.00 -5.14 1.96 1.79 -1.32 -3.38 116.57 110.48 2x0s h LYS 195 Ca 0.00 0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 58.03 2x0s h LYS 195 Cb 0.00 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 30.51 2x0s h LYS 195 CO 0.00 0.00 -0.61 0.95 -1.08 0.00 0.00 179.45 178.71 2x0s s THR 196 N -4.68 1.02 0.22 -0.16 -4.23 -1.01 -5.08 115.64 101.72 2x0s s THR 196 Ca -0.04 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.56 2x0s s THR 196 Cb 0.21 -2.75 -0.09 0.00 1.34 0.00 0.00 72.50 71.21 2x0s s THR 196 CO 0.70 0.00 1.50 1.23 -0.54 0.00 0.00 174.62 177.51 2x0s h GLY 197 N 2.18 0.02 -2.43 3.99 0.00 -1.85 -3.41 103.07 101.58 2x0s h GLY 197 Ca -0.40 -0.04 -0.42 0.00 0.00 0.00 0.00 47.33 46.47 2x0s h GLY 197 CO 0.67 0.03 -0.25 0.00 0.00 0.00 0.00 176.54 176.99 2x0s s SER 199 N -4.35 5.85 -0.05 0.00 1.04 -1.26 -3.81 113.70 111.12 2x0s s SER 199 Ca 0.55 0.43 -0.29 0.00 0.48 0.00 0.00 55.95 57.11 2x0s s SER 199 Cb -0.10 -1.65 -0.07 0.00 0.10 0.00 0.00 66.02 64.30 2x0s s SER 199 CO 0.33 -0.74 1.93 0.12 0.98 0.00 0.00 173.24 175.87 2x0s s PHE 200 N -2.64 1.44 -0.54 5.02 2.19 -1.26 -4.82 117.98 117.36 2x0s s PHE 200 Ca 0.49 -0.08 -0.38 0.00 0.33 0.00 0.00 56.93 57.29 2x0s s PHE 200 Cb -0.10 -4.11 -0.17 0.00 -1.31 0.00 0.00 43.02 37.33 2x0s s PHE 200 CO 0.40 -4.78 2.27 -2.30 1.83 0.00 0.00 175.22 172.64 2x0s n PRO 201 N 7.73 0.39 0.14 10.12 -0.02 -1.26 -4.82 135.00 147.28 2x0s n PRO 201 Ca 0.21 0.09 0.03 0.00 -2.02 0.00 0.00 63.50 61.81 2x0s n PRO 201 Cb 0.42 -1.91 0.04 0.00 -0.02 0.00 0.00 33.50 32.04 2x0s n PRO 201 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2x0s h GLN 202 N 11.18 0.00 -6.37 -0.52 1.08 -1.92 -3.44 115.11 115.13 2x0s h GLN 202 Ca -0.15 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.50 2x0s h GLN 202 Cb 1.36 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.74 2x0s h GLN 202 CO 1.13 0.50 1.14 0.34 -0.95 0.00 0.00 178.83 180.98 2x0s s ASP 203 N -6.46 6.05 0.56 1.46 -1.08 -1.26 -4.76 116.67 111.19 2x0s s ASP 203 Ca 0.04 0.50 0.33 0.00 -0.52 0.00 0.00 52.55 52.90 2x0s s ASP 203 Cb 0.08 -2.54 1.62 0.00 -1.46 0.00 0.00 42.92 40.62 2x0s s ASP 203 CO 0.74 -1.73 2.11 1.55 0.52 0.00 0.00 175.17 178.36 2x0s h PRO 204 N 11.60 0.00 0.03 4.34 0.13 -1.89 -1.48 132.00 144.73 2x0s h PRO 204 Ca -0.28 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.66 2x0s h PRO 204 Cb 1.11 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.26 2x0s h PRO 204 CO 1.15 0.07 -0.78 0.28 -0.23 0.00 0.00 178.00 178.48 2x0s h VAL 205 N 0.00 1.40 -0.01 1.56 2.07 -1.96 -1.79 116.25 117.52 2x0s h VAL 205 Ca -0.00 -2.22 0.02 0.00 0.82 0.00 0.00 66.70 65.32 2x0s h VAL 205 Cb 0.33 2.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.73 2x0s h VAL 205 CO 0.01 0.65 -0.10 0.24 0.02 0.00 0.00 177.57 178.39 2x0s h MET 206 N -0.01 -0.17 -1.18 1.57 2.86 -1.81 -0.44 114.93 115.74 2x0s h MET 206 Ca -0.11 0.01 0.44 0.00 -2.06 0.00 0.00 59.70 57.99 2x0s h MET 206 Cb 1.50 0.04 -0.16 0.00 0.06 0.00 0.00 31.60 33.04 2x0s h MET 206 CO 0.15 -0.11 0.71 1.96 1.06 0.00 0.00 176.91 180.68 2x0s h GLN 207 N -0.18 0.01 0.12 1.72 4.20 -1.23 -0.37 115.11 119.40 2x0s h GLN 207 Ca 0.04 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 2x0s h GLN 207 Cb 0.23 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 2x0s h GLN 207 CO -0.11 0.01 -0.06 1.25 -0.67 0.00 0.00 178.83 179.25 2x0s h LEU 208 N 0.01 -0.14 -0.73 1.46 5.85 -0.18 -2.25 115.31 119.33 2x0s h LEU 208 Ca 0.86 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 59.15 2x0s h LEU 208 Cb 2.51 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 43.54 2x0s h LEU 208 CO -0.62 0.38 0.34 -0.26 -0.34 0.00 0.00 178.44 177.94 2x0s h PHE 209 N -0.72 1.05 -0.59 1.25 0.04 -0.63 -0.60 116.94 116.73 2x0s h PHE 209 Ca -0.02 -0.05 0.12 0.00 2.80 0.00 0.00 57.97 60.82 2x0s h PHE 209 Cb 0.53 -0.33 -0.10 0.00 2.20 0.00 0.00 35.95 38.26 2x0s h PHE 209 CO 0.09 0.78 0.01 0.00 -0.60 0.00 0.00 178.31 178.59 2x0s h ALA 210 N 1.17 0.59 -0.04 2.45 0.00 -1.14 0.94 119.26 123.22 2x0s h ALA 210 Ca 0.25 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.37 2x0s h ALA 210 Cb 0.13 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 2x0s h ALA 210 CO -0.03 -0.38 -0.41 0.00 0.00 0.00 0.00 179.25 178.43 2x0s h ALA 211 N 1.53 -0.62 0.14 0.00 0.00 -0.51 -1.57 119.26 118.23 2x0s h ALA 211 Ca 0.31 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.21 2x0s h ALA 211 Cb 0.49 0.74 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 2x0s h ALA 211 CO -0.49 -0.93 -0.34 0.82 0.00 0.00 0.00 179.25 178.31 2x0s h ILE 212 N -0.54 0.29 -0.82 0.00 2.04 -0.28 -0.95 117.51 117.25 2x0s h ILE 212 Ca 0.06 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.10 2x0s h ILE 212 Cb 0.64 0.29 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 2x0s h ILE 212 CO -0.34 0.00 0.55 0.11 0.00 0.00 0.00 178.15 178.48 2x0s h LYS 213 N -0.57 0.35 -0.00 2.37 1.57 -0.72 -1.90 116.57 117.67 2x0s h LYS 213 Ca 0.03 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 2x0s h LYS 213 Cb 0.60 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 2x0s h LYS 213 CO -0.19 0.23 -0.78 0.00 -0.57 0.00 0.00 179.45 178.14 2x0s h ALA 214 N 1.63 0.71 -0.14 3.86 0.00 -0.15 -1.77 119.26 123.40 2x0s h ALA 214 Ca 0.42 -0.71 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2x0s h ALA 214 Cb 1.07 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 2x0s h ALA 214 CO -0.13 0.97 -0.04 0.28 0.00 0.00 0.00 179.25 180.33 2x0s h VAL 215 N 0.00 1.29 0.00 0.00 2.07 -0.77 -0.65 116.25 118.19 2x0s h VAL 215 Ca -0.01 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.50 2x0s h VAL 215 Cb 1.38 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 32.83 2x0s h VAL 215 CO 0.10 0.29 -0.02 -0.26 0.02 0.00 0.00 177.57 177.70 2x0s h PHE 216 N -0.04 0.00 0.23 1.57 0.04 -1.30 -1.87 116.94 115.58 2x0s h PHE 216 Ca 0.03 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.47 2x0s h PHE 216 Cb 0.47 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.65 2x0s h PHE 216 CO 0.05 0.02 -1.46 -0.09 -0.60 0.00 0.00 178.31 176.23 2x0s h ARG 217 N 0.00 0.49 0.00 1.51 2.43 -1.05 -3.19 114.38 114.58 2x0s h ARG 217 Ca -0.00 -0.85 0.00 0.00 -0.81 0.00 0.00 59.98 58.32 2x0s h ARG 217 Cb 0.07 0.31 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2x0s h ARG 217 CO 0.00 1.40 0.00 0.43 -1.51 0.00 0.00 179.97 180.30 2x0s n SER 218 N -3.68 0.00 -0.13 -3.80 7.64 -0.28 -2.23 113.62 111.14 2x0s n SER 218 Ca -0.16 -0.12 -0.26 0.00 1.01 0.00 0.00 58.87 59.34 2x0s n SER 218 Cb 1.09 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 64.19 2x0s n SER 218 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 2x0s n TRP 219 N -0.91 0.11 0.60 1.43 -0.00 -1.20 -4.16 117.44 113.31 2x0s n TRP 219 Ca 0.02 0.04 0.10 0.00 -0.00 0.00 0.00 57.50 57.66 2x0s n TRP 219 Cb 0.01 -1.01 0.41 0.00 -0.00 0.00 0.00 31.31 30.72 2x0s n TRP 219 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2x0s n GLY 220 N 1.56 -1.20 3.01 5.87 0.00 -1.02 -4.41 105.19 109.00 2x0s n GLY 220 Ca -0.50 -0.04 -0.49 0.00 0.00 0.00 0.00 46.02 44.99 2x0s n GLY 220 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2x0s n ASN 221 N -1.68 -0.27 -0.23 1.61 5.15 -0.95 -4.46 115.26 114.44 2x0s n ASN 221 Ca 0.04 1.00 -0.01 0.00 -0.60 0.00 0.00 54.58 55.01 2x0s n ASN 221 Cb 0.23 -0.80 0.10 0.00 -0.53 0.00 0.00 39.78 38.78 2x0s n ASN 221 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2x0s h PRO 222 N 2.18 0.62 0.00 1.20 0.13 -1.92 0.68 132.00 134.89 2x0s h PRO 222 Ca -0.39 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2x0s h PRO 222 Cb 1.24 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2x0s h PRO 222 CO 0.55 0.41 0.00 2.89 -0.23 0.00 0.00 178.00 181.62 2x0s n ARG 223 N -4.82 0.00 0.00 0.86 1.85 -1.26 -2.65 116.66 110.64 2x0s n ARG 223 Ca 0.09 0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 2x0s n ARG 223 Cb 0.20 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.11 2x0s n ARG 223 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2x0s n ALA 224 N -0.98 1.30 0.22 2.89 0.00 0.65 -4.53 120.51 120.06 2x0s n ALA 224 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2x0s n ALA 224 Cb 0.00 0.08 0.52 0.00 0.00 0.00 0.00 19.45 20.05 2x0s n ALA 224 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2x0s h THR 225 N 0.00 0.96 -0.10 0.00 1.35 0.43 -0.63 112.91 114.92 2x0s h THR 225 Ca 0.00 -0.87 -0.00 0.00 -0.55 0.00 0.00 66.41 64.99 2x0s h THR 225 Cb 0.33 1.49 -0.00 0.00 -1.73 0.00 0.00 68.15 68.24 2x0s h THR 225 CO 0.00 0.23 0.06 0.16 -0.25 0.00 0.00 175.52 175.72 2x0s h ILE 226 N 0.00 1.07 -0.90 6.82 -0.00 -1.80 -3.16 117.51 119.53 2x0s h ILE 226 Ca -0.00 -0.20 0.27 0.00 -0.00 0.00 0.00 64.86 64.93 2x0s h ILE 226 Cb 0.48 1.03 -0.17 0.00 -0.00 0.00 0.00 36.82 38.15 2x0s h ILE 226 CO 0.03 0.07 0.09 -1.22 -0.00 0.00 0.00 178.15 177.12 2x0s n TYR 227 N -4.98 0.65 0.72 0.16 4.01 -0.25 0.54 117.16 118.01 2x0s n TYR 227 Ca -0.05 1.09 0.12 0.00 -0.16 0.00 0.00 57.90 58.90 2x0s n TYR 227 Cb 0.06 -1.22 0.48 0.00 -0.31 0.00 0.00 39.34 38.35 2x0s n TYR 227 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 2x0s n ARG 228 N -5.28 0.12 0.01 -0.72 1.85 -1.19 -1.36 116.66 110.08 2x0s n ARG 228 Ca 0.23 0.17 -0.00 0.00 -1.00 0.00 0.00 57.85 57.25 2x0s n ARG 228 Cb 0.77 -1.66 -0.00 0.00 -1.05 0.00 0.00 32.46 30.52 2x0s n ARG 228 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2x0s h ARG 229 N 0.00 -0.02 -0.43 2.89 2.47 -0.00 -2.58 114.38 116.70 2x0s h ARG 229 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2x0s h ARG 229 Cb 0.53 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 2x0s h ARG 229 CO 0.00 -0.01 0.00 0.00 0.56 0.00 0.00 179.97 180.52 2x0s n MET 230 N -2.12 2.05 -0.09 0.04 0.00 -1.19 -2.01 117.12 113.80 2x0s n MET 230 Ca -0.00 -1.63 -0.10 0.00 0.00 0.00 0.00 57.70 55.97 2x0s n MET 230 Cb 0.01 -1.36 -0.14 0.00 0.00 0.00 0.00 33.22 31.73 2x0s n MET 230 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 2x0s n ASN 231 N 0.82 0.80 -3.76 3.17 3.02 -0.46 -5.07 115.26 113.78 2x0s n ASN 231 Ca 0.16 -0.01 -0.29 0.00 -0.03 0.00 0.00 54.58 54.40 2x0s n ASN 231 Cb 0.39 0.79 0.02 0.00 -0.61 0.00 0.00 39.78 40.37 2x0s n ASN 231 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2x0s n ASN 232 N -2.72 -5.13 -3.99 6.41 5.15 -0.85 -4.97 115.26 109.16 2x0s n ASN 232 Ca -0.30 -0.97 -0.32 0.00 -0.60 0.00 0.00 54.58 52.39 2x0s n ASN 232 Cb 1.06 -2.51 -0.11 0.00 -0.53 0.00 0.00 39.78 37.69 2x0s n ASN 232 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2x0s s ILE 233 N -3.25 3.34 0.41 -1.44 1.01 -1.26 -5.06 121.20 114.95 2x0s s ILE 233 Ca 0.25 -3.78 -0.22 0.00 0.00 0.00 0.00 60.65 56.90 2x0s s ILE 233 Cb -0.12 -3.17 -0.10 0.00 0.01 0.00 0.00 42.46 39.08 2x0s s ILE 233 CO 0.89 -0.96 0.96 0.42 0.00 0.00 0.00 174.94 176.25 2x0s s THR 234 N -0.98 4.28 -0.21 2.92 -4.23 -1.26 -4.48 115.64 111.68 2x0s s THR 234 Ca 0.23 1.53 -0.01 0.00 -1.18 0.00 0.00 61.69 62.25 2x0s s THR 234 Cb -0.12 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.04 2x0s s THR 234 CO -0.10 -0.20 0.21 0.61 -0.54 0.00 0.00 174.62 174.60 2x0s n GLY 235 N -0.31 -0.65 0.04 3.99 0.00 -1.26 -5.04 105.19 101.96 2x0s n GLY 235 Ca 0.06 0.07 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 2x0s n GLY 235 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2x0s n LEU 236 N -1.08 0.25 0.00 0.99 4.77 -1.26 -5.06 117.00 115.62 2x0s n LEU 236 Ca 0.01 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2x0s n LEU 236 Cb 0.43 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 2x0s n LEU 236 CO 0.16 0.24 0.00 0.18 -1.33 0.00 0.00 177.39 176.64 2x0s n LEU 237 N -2.34 0.00 0.00 2.23 4.32 -1.26 -4.93 117.00 115.02 2x0s n LEU 237 Ca -0.13 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.86 2x0s n LEU 237 Cb 0.75 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.55 2x0s n LEU 237 CO 0.16 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.94 2x0s n GLY 238 N 0.00 -0.78 3.20 -0.72 0.00 -1.26 -4.29 105.19 101.34 2x0s n GLY 238 Ca 0.00 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 2x0s n GLY 238 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2x0s s THR 239 N -4.00 1.49 1.06 2.61 -1.32 -1.26 -4.92 115.64 109.30 2x0s s THR 239 Ca 0.00 -0.97 -0.14 0.00 -1.21 0.00 0.00 61.69 59.36 2x0s s THR 239 Cb 0.00 -1.28 0.22 0.00 -1.51 0.00 0.00 72.50 69.93 2x0s s THR 239 CO 0.00 0.28 1.10 0.00 -2.21 0.00 0.00 174.62 173.79 2x0s s ALA 240 N -0.62 0.84 -0.04 11.08 0.00 -1.11 -4.41 121.76 127.50 2x0s s ALA 240 Ca 0.07 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.47 2x0s s ALA 240 Cb -0.08 -3.04 0.02 0.00 0.00 0.00 0.00 23.12 20.02 2x0s s ALA 240 CO 0.00 -3.08 -0.06 0.08 0.00 0.00 0.00 175.76 172.71 2x0s s VAL 241 N -3.00 0.61 -0.39 0.00 1.01 -0.69 -1.20 120.40 116.75 2x0s s VAL 241 Ca 0.67 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.44 2x0s s VAL 241 Cb -0.16 -0.61 0.10 0.00 0.00 0.00 0.00 36.38 35.71 2x0s s VAL 241 CO 0.57 0.23 0.17 0.20 0.00 0.00 0.00 175.10 176.27 2x0s s ASN 242 N 0.74 5.19 0.03 3.32 0.01 0.04 -1.15 114.94 123.12 2x0s s ASN 242 Ca -0.11 -1.95 -0.14 0.00 -0.71 0.00 0.00 52.86 49.96 2x0s s ASN 242 Cb -0.13 -1.80 -0.06 0.00 0.41 0.00 0.00 41.25 39.66 2x0s s ASN 242 CO 0.01 -0.50 0.42 -0.69 -1.51 0.00 0.00 177.10 174.83 2x0s s VAL 243 N 1.14 5.03 -0.27 1.60 1.01 -0.73 -2.94 120.40 125.24 2x0s s VAL 243 Ca 0.07 0.75 -0.22 0.00 0.00 0.00 0.00 61.98 62.57 2x0s s VAL 243 Cb -0.22 -3.70 0.07 0.00 0.00 0.00 0.00 36.38 32.53 2x0s s VAL 243 CO -0.04 0.48 0.69 -1.58 0.00 0.00 0.00 175.10 174.66 2x0s s GLN 244 N -1.35 0.79 0.31 2.72 0.74 -1.00 -0.61 119.66 121.26 2x0s s GLN 244 Ca 0.27 1.02 -0.29 0.00 0.05 0.00 0.00 55.36 56.41 2x0s s GLN 244 Cb -0.16 0.34 -0.10 0.00 1.10 0.00 0.00 33.01 34.19 2x0s s GLN 244 CO 0.15 -0.11 1.33 0.00 -0.55 0.00 0.00 175.29 176.11 2x0s s ALA 245 N 0.64 3.52 0.18 1.58 0.00 -0.17 -0.14 121.76 127.37 2x0s s ALA 245 Ca -0.02 1.26 -0.21 0.00 0.00 0.00 0.00 51.96 52.99 2x0s s ALA 245 Cb -0.05 -3.49 -0.08 0.00 0.00 0.00 0.00 23.12 19.50 2x0s s ALA 245 CO -0.03 -0.65 0.71 -1.64 0.00 0.00 0.00 175.76 174.14 2x0s s MET 246 N -1.50 4.33 0.08 0.00 1.00 0.07 -4.75 119.30 118.54 2x0s s MET 246 Ca 0.51 0.92 0.01 0.00 0.00 0.00 0.00 55.69 57.13 2x0s s MET 246 Cb -0.40 -3.05 -0.04 0.00 0.00 0.00 0.00 34.83 31.34 2x0s s MET 246 CO 0.51 0.49 -0.05 0.14 0.00 0.00 0.00 175.02 176.11 2x0s s VAL 247 N -1.34 0.50 -0.00 -6.03 -7.23 -1.26 -4.79 120.40 100.25 2x0s s VAL 247 Ca 0.38 -1.89 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 2x0s s VAL 247 Cb -0.19 -1.63 0.00 0.00 0.56 0.00 0.00 36.38 35.12 2x0s s VAL 247 CO 0.22 -0.91 -0.01 -0.36 -0.31 0.00 0.00 175.10 173.73 2x0s s PHE 248 N -3.74 0.09 -0.76 2.82 0.40 -1.26 -5.03 117.98 110.49 2x0s s PHE 248 Ca 0.10 -0.01 0.14 0.00 -0.60 0.00 0.00 56.93 56.56 2x0s s PHE 248 Cb 0.06 -0.06 0.44 0.00 0.51 0.00 0.00 43.02 43.97 2x0s s PHE 248 CO -0.07 -0.01 1.36 0.41 0.70 0.00 0.00 175.22 177.62 2x0s n GLY 249 N 3.10 3.13 1.25 4.36 0.00 -1.26 -3.98 105.19 111.79 2x0s n GLY 249 Ca -0.13 -0.65 -0.03 0.00 0.00 0.00 0.00 46.02 45.22 2x0s n GLY 249 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2x0s n ASN 250 N 0.33 3.20 0.03 1.61 2.04 -1.25 -0.95 115.26 120.26 2x0s n ASN 250 Ca 0.17 -3.49 -0.19 0.00 -0.44 0.00 0.00 54.58 50.63 2x0s n ASN 250 Cb 0.63 -0.64 -0.14 0.00 -2.53 0.00 0.00 39.78 37.10 2x0s n ASN 250 CO 0.00 0.00 0.00 0.40 -0.44 0.00 0.00 177.26 177.22 2x0s h ILE 251 N 1.36 1.56 -1.25 1.53 2.04 -1.92 -3.46 117.51 117.38 2x0s h ILE 251 Ca 0.20 -2.47 0.00 0.00 1.00 0.00 0.00 64.86 63.59 2x0s h ILE 251 Cb 1.77 3.20 0.00 0.00 -0.74 0.00 0.00 36.82 41.05 2x0s h ILE 251 CO 0.44 0.69 0.00 -0.46 0.00 0.00 0.00 178.15 178.82 2x0s n ASN 252 N -4.22 0.00 -1.46 1.72 0.23 -1.26 -5.02 115.26 105.25 2x0s n ASN 252 Ca -0.13 -0.25 0.06 0.00 -0.53 0.00 0.00 54.58 53.73 2x0s n ASN 252 Cb 0.75 0.00 0.30 0.00 -2.08 0.00 0.00 39.78 38.75 2x0s n ASN 252 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2x0s n ASP 253 N -0.25 4.29 -1.71 0.53 9.92 -1.26 -3.32 116.55 124.75 2x0s n ASP 253 Ca 0.00 -2.56 -0.11 0.00 -0.53 0.00 0.00 54.79 51.59 2x0s n ASP 253 Cb 0.00 -0.59 0.07 0.00 -0.64 0.00 0.00 41.12 39.97 2x0s n ASP 253 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 2x0s n ARG 254 N 0.62 2.61 -4.23 -1.24 1.85 -1.26 -4.87 116.66 110.14 2x0s n ARG 254 Ca 0.21 -3.72 -0.17 0.00 -1.00 0.00 0.00 57.85 53.17 2x0s n ARG 254 Cb 0.87 -1.87 -0.13 0.00 -1.05 0.00 0.00 32.46 30.28 2x0s n ARG 254 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2x0s s SER 255 N -3.43 1.24 0.15 2.89 0.01 -1.21 0.11 113.70 113.45 2x0s s SER 255 Ca 0.43 -0.42 -0.21 0.00 1.31 0.00 0.00 55.95 57.07 2x0s s SER 255 Cb 0.39 -0.06 0.06 0.00 0.21 0.00 0.00 66.02 66.62 2x0s s SER 255 CO -0.01 -0.03 0.53 0.00 0.41 0.00 0.00 173.24 174.14 2x0s s ALA 256 N -0.88 -1.38 0.19 1.44 0.00 -0.49 0.03 121.76 120.68 2x0s s ALA 256 Ca -0.02 0.32 0.04 0.00 0.00 0.00 0.00 51.96 52.30 2x0s s ALA 256 Cb -0.07 0.82 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 2x0s s ALA 256 CO 0.01 -0.72 -0.05 0.95 0.00 0.00 0.00 175.76 175.94 2x0s s THR 257 N -3.75 1.11 0.20 0.00 -4.23 -1.16 0.12 115.64 107.94 2x0s s THR 257 Ca 0.02 -2.05 -0.22 0.00 -1.18 0.00 0.00 61.69 58.25 2x0s s THR 257 Cb -0.00 -2.11 0.07 0.00 1.34 0.00 0.00 72.50 71.80 2x0s s THR 257 CO -0.12 -0.52 1.01 -0.83 -0.54 0.00 0.00 174.62 173.62 2x0s s GLY 258 N -3.24 0.10 -0.09 3.99 0.00 -0.16 -2.14 107.32 105.78 2x0s s GLY 258 Ca 0.23 -0.32 -0.06 0.00 0.00 0.00 0.00 44.72 44.58 2x0s s GLY 258 CO 0.05 1.93 0.22 0.14 0.00 0.00 0.00 173.10 175.44 2x0s s VAL 259 N -2.30 -0.03 0.05 1.40 1.01 -0.41 -1.98 120.40 118.13 2x0s s VAL 259 Ca 0.20 0.10 -0.10 0.00 0.00 0.00 0.00 61.98 62.18 2x0s s VAL 259 Cb -0.03 -0.33 0.01 0.00 0.00 0.00 0.00 36.38 36.03 2x0s s VAL 259 CO 0.05 0.04 0.22 0.00 0.00 0.00 0.00 175.10 175.42 2x0s s ALA 260 N 0.87 -0.43 -0.15 5.51 0.00 0.15 -1.10 121.76 126.61 2x0s s ALA 260 Ca -0.06 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.66 2x0s s ALA 260 Cb -0.08 0.31 0.03 0.00 0.00 0.00 0.00 23.12 23.39 2x0s s ALA 260 CO -0.05 -0.39 -0.10 -0.06 0.00 0.00 0.00 175.76 175.16 2x0s s PHE 261 N -2.70 1.93 0.19 0.00 0.08 0.88 0.83 117.98 119.19 2x0s s PHE 261 Ca -0.04 -1.14 0.20 0.00 0.12 0.00 0.00 56.93 56.07 2x0s s PHE 261 Cb -0.00 -1.44 1.08 0.00 -0.57 0.00 0.00 43.02 42.08 2x0s s PHE 261 CO -0.04 -0.63 1.55 0.66 -0.10 0.00 0.00 175.22 176.65 2x0s h SER 262 N 8.09 0.00 -5.01 1.36 4.64 -1.42 -3.10 113.55 118.10 2x0s h SER 262 Ca -0.31 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.95 2x0s h SER 262 Cb 1.12 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.04 2x0s h SER 262 CO 0.46 0.00 0.03 -0.13 -0.87 0.00 0.00 176.83 176.32 2x0s s ARG 263 N -3.60 1.00 -0.04 4.77 0.52 -1.26 -4.49 118.95 115.86 2x0s s ARG 263 Ca -0.02 -0.17 -0.30 0.00 -0.52 0.00 0.00 55.73 54.73 2x0s s ARG 263 Cb 0.06 0.46 -0.07 0.00 0.52 0.00 0.00 34.95 35.92 2x0s s ARG 263 CO 0.18 -0.35 1.85 0.45 0.02 0.00 0.00 175.30 177.45 2x0s s SER 264 N -1.81 6.42 0.00 0.23 0.15 -0.80 -4.84 113.70 113.05 2x0s s SER 264 Ca -0.07 2.35 0.12 0.00 0.70 0.00 0.00 55.95 59.05 2x0s s SER 264 Cb -0.01 -2.53 0.64 0.00 -1.71 0.00 0.00 66.02 62.41 2x0s s SER 264 CO 0.00 -1.11 1.20 -0.81 1.20 0.00 0.00 173.24 173.71 2x0s n PRO 265 N 7.53 0.27 -0.01 5.44 -0.04 -1.26 0.30 135.00 147.23 2x0s n PRO 265 Ca 0.20 0.09 -0.01 0.00 -0.04 0.00 0.00 63.50 63.73 2x0s n PRO 265 Cb 0.42 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.38 2x0s n PRO 265 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2x0s n SER 266 N -1.14 0.47 -0.08 3.54 7.64 -1.26 -1.81 113.62 120.97 2x0s n SER 266 Ca 0.07 0.07 -0.15 0.00 1.01 0.00 0.00 58.87 59.88 2x0s n SER 266 Cb 0.06 -0.34 -0.05 0.00 -1.01 0.00 0.00 64.21 62.88 2x0s n SER 266 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2x0s h THR 267 N -0.15 1.29 0.00 0.44 2.02 -1.94 -3.25 112.91 111.32 2x0s h THR 267 Ca 0.00 -1.68 0.00 0.00 0.77 0.00 0.00 66.41 65.50 2x0s h THR 267 Cb 0.15 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 2x0s h THR 267 CO 0.00 0.54 0.00 0.61 0.37 0.00 0.00 175.52 177.04 2x0s n GLY 268 N 0.36 0.59 3.74 2.16 0.00 0.15 -4.23 105.19 107.95 2x0s n GLY 268 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 2x0s n GLY 268 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2x0s s GLU 269 N -0.81 2.74 -1.29 1.61 -1.05 -1.26 -4.21 118.70 114.43 2x0s s GLU 269 Ca 0.00 2.01 -0.15 0.00 -0.15 0.00 0.00 54.97 56.67 2x0s s GLU 269 Cb 0.00 -1.91 0.11 0.00 -0.44 0.00 0.00 34.13 31.89 2x0s s GLU 269 CO 0.00 -1.44 1.73 -1.71 0.95 0.00 0.00 175.26 174.79 2x0s n ASN 270 N -1.72 4.89 -4.20 0.83 5.15 -1.26 -1.91 115.26 117.05 2x0s n ASN 270 Ca 0.15 -2.95 -0.12 0.00 -0.60 0.00 0.00 54.58 51.06 2x0s n ASN 270 Cb 0.48 -1.66 -0.10 0.00 -0.53 0.00 0.00 39.78 37.97 2x0s n ASN 270 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2x0s s PHE 271 N 2.91 1.06 -0.90 1.20 0.40 -1.26 -5.05 117.98 116.33 2x0s s PHE 271 Ca 0.48 -1.16 -0.20 0.00 -0.60 0.00 0.00 56.93 55.45 2x0s s PHE 271 Cb 0.04 -0.59 0.11 0.00 0.51 0.00 0.00 43.02 43.09 2x0s s PHE 271 CO 0.03 -0.40 1.14 0.12 0.70 0.00 0.00 175.22 176.80 2x0s s PHE 272 N -3.89 2.98 0.10 0.36 5.36 -1.26 -4.02 117.98 117.60 2x0s s PHE 272 Ca 0.26 -1.19 -0.25 0.00 -0.96 0.00 0.00 56.93 54.78 2x0s s PHE 272 Cb 0.07 -4.33 -0.07 0.00 -0.34 0.00 0.00 43.02 38.35 2x0s s PHE 272 CO 0.04 -1.57 0.78 -0.06 -1.46 0.00 0.00 175.22 172.95 2x0s s PHE 273 N 3.18 3.81 0.13 10.12 0.40 -1.17 -4.20 117.98 130.25 2x0s s PHE 273 Ca 0.33 1.56 -0.25 0.00 -0.60 0.00 0.00 56.93 57.97 2x0s s PHE 273 Cb -0.06 -2.81 0.08 0.00 0.51 0.00 0.00 43.02 40.74 2x0s s PHE 273 CO -0.06 0.37 1.08 0.20 0.70 0.00 0.00 175.22 177.50 2x0s s GLY 274 N -0.50 -0.07 -0.13 4.36 0.00 -1.26 -0.09 107.32 109.63 2x0s s GLY 274 Ca 0.38 -0.05 -0.10 0.00 0.00 0.00 0.00 44.72 44.95 2x0s s GLY 274 CO 0.25 1.85 0.33 -0.54 0.00 0.00 0.00 173.10 174.99 2x0s s GLU 275 N -2.47 0.36 0.29 2.90 2.02 -0.25 -3.58 118.70 117.97 2x0s s GLU 275 Ca 0.19 0.51 -0.03 0.00 0.02 0.00 0.00 54.97 55.66 2x0s s GLU 275 Cb -0.01 0.12 -0.01 0.00 0.10 0.00 0.00 34.13 34.33 2x0s s GLU 275 CO 0.03 -0.08 0.37 1.52 0.02 0.00 0.00 175.26 177.12 2x0s s TYR 276 N 0.48 1.00 -0.12 1.61 -0.85 -0.09 -1.29 117.35 118.08 2x0s s TYR 276 Ca -0.02 -1.22 -0.06 0.00 -0.52 0.00 0.00 57.07 55.24 2x0s s TYR 276 Cb -0.04 -0.20 0.05 0.00 0.38 0.00 0.00 41.96 42.14 2x0s s TYR 276 CO -0.02 -0.96 0.28 -0.51 -1.52 0.00 0.00 175.55 172.82 2x0s s LEU 277 N -3.18 0.33 0.36 -3.49 1.43 -0.91 -2.24 118.68 110.97 2x0s s LEU 277 Ca 0.32 0.61 -0.25 0.00 -1.03 0.00 0.00 54.13 53.78 2x0s s LEU 277 Cb 0.02 0.88 -0.10 0.00 0.03 0.00 0.00 46.19 47.02 2x0s s LEU 277 CO 0.17 -0.17 0.98 -0.69 0.23 0.00 0.00 176.35 176.87 2x0s s VAL 278 N 1.23 4.07 -0.77 -1.59 1.01 -1.26 -2.97 120.40 120.11 2x0s s VAL 278 Ca -0.09 1.62 -0.03 0.00 0.00 0.00 0.00 61.98 63.48 2x0s s VAL 278 Cb -0.09 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.44 2x0s s VAL 278 CO -0.09 0.04 0.58 -3.20 0.00 0.00 0.00 175.10 172.43 2x0s n ASN 279 N 0.21 -4.64 -3.70 3.32 2.85 0.10 -4.95 115.26 108.46 2x0s n ASN 279 Ca 0.03 -0.90 -0.14 0.00 -0.11 0.00 0.00 54.58 53.47 2x0s n ASN 279 Cb 0.50 -1.53 -0.09 0.00 1.24 0.00 0.00 39.78 39.90 2x0s n ASN 279 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2x0s s ALA 280 N -2.85 -1.23 -0.18 5.20 0.00 -0.13 -4.78 121.76 117.79 2x0s s ALA 280 Ca 0.02 1.32 -0.24 0.00 0.00 0.00 0.00 51.96 53.06 2x0s s ALA 280 Cb -0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 2x0s s ALA 280 CO 0.86 -0.25 0.77 -1.14 0.00 0.00 0.00 175.76 176.01 2x0s s GLN 281 N 0.06 4.27 0.24 0.00 2.00 -1.26 -3.85 119.66 121.12 2x0s s GLN 281 Ca -0.02 0.89 -0.31 0.00 -2.00 0.00 0.00 55.36 53.93 2x0s s GLN 281 Cb -0.03 -3.58 -0.14 0.00 0.80 0.00 0.00 33.01 30.06 2x0s s GLN 281 CO 0.01 -0.31 1.36 0.41 -0.50 0.00 0.00 175.29 176.26 2x0s n GLY 282 N 3.57 0.65 0.00 2.59 0.00 -1.26 -0.10 105.19 110.65 2x0s n GLY 282 Ca 0.03 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.53 2x0s n GLY 282 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2x0s n GLU 283 N 1.87 0.00 0.10 1.61 1.02 -1.26 -4.80 120.64 119.18 2x0s n GLU 283 Ca 0.11 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.24 2x0s n GLU 283 Cb 0.31 0.00 0.23 0.00 -0.02 0.00 0.00 31.44 31.96 2x0s n GLU 283 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2x0s h ASP 284 N 0.00 0.23 -0.07 1.62 3.32 -0.89 0.65 116.42 121.28 2x0s h ASP 284 Ca 0.00 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 2x0s h ASP 284 Cb 0.00 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 2x0s h ASP 284 CO 0.00 0.62 -0.01 0.58 -1.72 0.00 0.00 179.24 178.71 2x0s h VAL 285 N 0.19 1.28 0.11 -1.35 2.07 -1.87 -3.20 116.25 113.47 2x0s h VAL 285 Ca 0.02 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 2x0s h VAL 285 Cb 0.81 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 2x0s h VAL 285 CO 0.06 0.24 -0.05 0.58 0.02 0.00 0.00 177.57 178.42 2x0s h VAL 286 N -0.19 1.07 -0.67 2.57 2.07 -1.87 -3.32 116.25 115.91 2x0s h VAL 286 Ca 0.02 -0.75 0.18 0.00 0.82 0.00 0.00 66.70 66.97 2x0s h VAL 286 Cb 0.38 1.54 -0.12 0.00 -1.52 0.00 0.00 31.29 31.57 2x0s h VAL 286 CO 0.01 0.18 -0.01 0.00 0.02 0.00 0.00 177.57 177.76 2x0s n ALA 287 N -2.35 0.32 0.00 1.67 0.00 0.23 -4.40 120.51 115.98 2x0s n ALA 287 Ca -0.09 0.72 0.00 0.00 0.00 0.00 0.00 53.44 54.07 2x0s n ALA 287 Cb 0.22 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.15 2x0s n ALA 287 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x0s n GLY 288 N -1.35 2.95 3.75 0.00 0.00 -1.23 -4.66 105.19 104.66 2x0s n GLY 288 Ca 0.15 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2x0s n GLY 288 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2x0s n ILE 289 N 0.00 2.02 -2.50 -0.61 -0.00 -1.26 -4.18 119.36 112.84 2x0s n ILE 289 Ca 0.00 -0.50 -0.05 0.00 -0.00 0.00 0.00 62.75 62.20 2x0s n ILE 289 Cb 0.00 -1.83 -0.04 0.00 -0.00 0.00 0.00 39.64 37.77 2x0s n ILE 289 CO 0.00 0.00 0.00 -2.11 -0.00 0.00 0.00 176.55 174.44 2x0s n ARG 290 N 0.46 -4.45 -1.46 0.38 1.85 -1.26 -4.85 116.66 107.33 2x0s n ARG 290 Ca 0.03 3.36 -0.57 0.00 -1.00 0.00 0.00 57.85 59.66 2x0s n ARG 290 Cb 0.38 -4.81 -0.08 0.00 -1.05 0.00 0.00 32.46 26.89 2x0s n ARG 290 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2x0s n THR 291 N 1.63 0.00 -2.21 8.89 -1.04 -1.26 -4.92 114.28 115.37 2x0s n THR 291 Ca -0.36 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.24 2x0s n THR 291 Cb 0.55 -0.29 -0.03 0.00 -1.82 0.00 0.00 70.33 68.74 2x0s n THR 291 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2x0s s PRO 292 N 1.76 4.42 -0.00 -2.82 0.04 -1.26 -5.04 135.00 132.09 2x0s s PRO 292 Ca 0.88 2.09 -0.12 0.00 0.04 0.00 0.00 61.00 63.89 2x0s s PRO 292 Cb -1.25 -3.14 -0.05 0.00 0.04 0.00 0.00 34.50 30.10 2x0s s PRO 292 CO 0.65 -0.15 0.35 -0.65 0.04 0.00 0.00 177.00 177.24 2x0s s GLN 293 N -1.09 3.78 0.39 4.56 -0.21 -0.95 -4.90 119.66 121.24 2x0s s GLN 293 Ca 0.51 0.24 -0.26 0.00 0.02 0.00 0.00 55.36 55.87 2x0s s GLN 293 Cb -0.37 -3.16 -0.09 0.00 1.00 0.00 0.00 33.01 30.39 2x0s s GLN 293 CO 0.45 0.68 1.24 -0.65 -2.12 0.00 0.00 175.29 174.89 2x0s s GLN 294 N -1.28 4.08 -0.04 2.91 -1.52 -1.26 -0.92 119.66 121.64 2x0s s GLN 294 Ca 0.24 2.02 -0.23 0.00 -1.95 0.00 0.00 55.36 55.44 2x0s s GLN 294 Cb -0.15 -2.79 -0.25 0.00 -0.22 0.00 0.00 33.01 29.60 2x0s s GLN 294 CO 0.13 -0.35 1.00 -0.84 -0.25 0.00 0.00 175.29 174.98 2x0s h ILE 295 N 2.51 1.52 -3.62 1.08 3.07 -1.86 -3.04 117.51 117.17 2x0s h ILE 295 Ca -0.49 -2.14 -0.51 0.00 1.55 0.00 0.00 64.86 63.27 2x0s h ILE 295 Cb 1.24 2.85 -0.03 0.00 -0.27 0.00 0.00 36.82 40.61 2x0s h ILE 295 CO 0.63 0.60 0.23 0.21 -1.05 0.00 0.00 178.15 178.77 2x0s s ASN 296 N -6.57 7.40 0.03 2.16 3.84 -1.26 -0.61 114.94 119.93 2x0s s ASN 296 Ca -0.15 1.71 -0.15 0.00 0.21 0.00 0.00 52.86 54.48 2x0s s ASN 296 Cb 0.01 -2.52 -0.08 0.00 -0.55 0.00 0.00 41.25 38.11 2x0s s ASN 296 CO 0.78 0.15 1.23 -0.74 -2.79 0.00 0.00 177.10 175.73 2x0s h HIS 297 N 4.04 -0.55 -0.93 0.43 -0.00 -1.93 -1.84 115.15 114.37 2x0s h HIS 297 Ca -0.47 -0.00 0.17 0.00 -0.00 0.00 0.00 60.37 60.07 2x0s h HIS 297 Cb 1.20 0.20 -0.17 0.00 -0.00 0.00 0.00 27.41 28.65 2x0s h HIS 297 CO 0.63 -0.30 -0.28 0.43 -0.00 0.00 0.00 177.93 178.41 2x0s n SER 298 N -3.56 -0.44 -0.26 3.26 7.64 -1.26 -1.04 113.62 117.96 2x0s n SER 298 Ca -0.06 1.61 -0.04 0.00 1.01 0.00 0.00 58.87 61.39 2x0s n SER 298 Cb 0.21 -0.44 0.13 0.00 -1.01 0.00 0.00 64.21 63.09 2x0s n SER 298 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2x0s h LEU 299 N 0.00 1.00 0.27 -3.43 4.07 -1.92 -1.78 115.31 113.52 2x0s h LEU 299 Ca 0.40 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 58.22 2x0s h LEU 299 Cb 0.63 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.12 2x0s h LEU 299 CO -0.94 0.86 -0.13 -1.28 -1.08 0.00 0.00 178.44 175.86 2x0s h SER 300 N 1.09 -0.31 -1.26 -0.43 0.87 -0.21 -1.85 113.55 111.45 2x0s h SER 300 Ca 0.26 -0.06 0.37 0.00 -1.23 0.00 0.00 61.79 61.14 2x0s h SER 300 Cb 0.14 0.08 -0.10 0.00 -0.44 0.00 0.00 62.40 62.08 2x0s h SER 300 CO -0.03 -0.14 0.84 -0.07 -0.53 0.00 0.00 176.83 176.90 2x0s h LEU 301 N -0.46 0.24 0.00 2.23 4.07 -0.34 -0.41 115.31 120.63 2x0s h LEU 301 Ca -0.04 0.08 -0.23 0.00 0.08 0.00 0.00 57.88 57.77 2x0s h LEU 301 Cb 0.35 0.05 -0.04 0.00 1.08 0.00 0.00 40.66 42.10 2x0s h LEU 301 CO 0.06 -0.04 -1.74 -2.11 -1.08 0.00 0.00 178.44 173.53 2x0s n ARG 302 N -4.50 0.64 -0.21 1.13 1.85 -0.80 -1.65 116.66 113.12 2x0s n ARG 302 Ca 0.32 0.16 -0.05 0.00 -1.00 0.00 0.00 57.85 57.27 2x0s n ARG 302 Cb 1.26 -1.72 0.11 0.00 -1.05 0.00 0.00 32.46 31.07 2x0s n ARG 302 CO 0.00 0.00 0.00 2.35 -0.01 0.00 0.00 177.63 179.97 2x0s h TRP 303 N 0.00 1.06 -0.14 2.89 2.91 -0.30 -1.47 115.95 120.91 2x0s h TRP 303 Ca -0.26 -0.11 -0.08 0.00 1.13 0.00 0.00 58.89 59.58 2x0s h TRP 303 Cb 1.78 -0.31 -0.00 0.00 -0.51 0.00 0.00 29.16 30.13 2x0s h TRP 303 CO 0.00 0.86 -0.21 0.00 -1.03 0.00 0.00 178.44 178.06 2x0s h ALA 304 N 1.21 0.21 0.00 2.65 0.00 -1.20 -2.32 119.26 119.81 2x0s h ALA 304 Ca 0.21 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2x0s h ALA 304 Cb 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2x0s h ALA 304 CO -0.00 0.15 0.00 1.17 0.00 0.00 0.00 179.25 180.57 2x0s n LYS 305 N -4.49 0.15 -0.58 0.00 4.81 -0.66 -1.16 118.16 116.23 2x0s n LYS 305 Ca -0.07 0.55 0.03 0.00 -0.87 0.00 0.00 58.31 57.96 2x0s n LYS 305 Cb 0.41 -1.90 0.20 0.00 0.02 0.00 0.00 35.03 33.76 2x0s n LYS 305 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2x0s n ALA 306 N -1.76 3.64 -3.48 3.14 0.00 -0.57 -4.94 120.51 116.54 2x0s n ALA 306 Ca -0.00 -3.04 -0.07 0.00 0.00 0.00 0.00 53.44 50.33 2x0s n ALA 306 Cb 0.10 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 18.98 2x0s n ALA 306 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2x0s n HIS 307 N -1.11 -0.64 1.36 0.00 8.25 -0.31 -4.98 115.22 117.80 2x0s n HIS 307 Ca 0.24 -1.08 0.00 0.00 -0.26 0.00 0.00 57.72 56.63 2x0s n HIS 307 Cb 0.84 0.19 0.00 0.00 1.12 0.00 0.00 29.99 32.14 2x0s n HIS 307 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2x0s n GLY 308 N -0.25 -0.65 3.80 -1.41 0.00 -1.26 -4.87 105.19 100.55 2x0s n GLY 308 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2x0s n GLY 308 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x0s s VAL 309 N -1.98 4.61 0.34 1.61 1.01 -1.21 -5.08 120.40 119.69 2x0s s VAL 309 Ca 0.00 1.37 0.07 0.00 0.00 0.00 0.00 61.98 63.42 2x0s s VAL 309 Cb 0.00 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 2x0s s VAL 309 CO 0.00 0.52 0.38 -0.83 0.00 0.00 0.00 175.10 175.17 2x0s s GLY 310 N -1.17 1.70 0.14 4.51 0.00 -1.26 -4.50 107.32 106.75 2x0s s GLY 310 Ca 0.32 -1.56 -0.18 0.00 0.00 0.00 0.00 44.72 43.30 2x0s s GLY 310 CO 0.22 -1.48 1.77 -2.09 0.00 0.00 0.00 173.10 171.51 2x0s h GLU 311 N 1.06 0.29 0.00 2.90 4.57 -1.98 -1.80 114.58 119.62 2x0s h GLU 311 Ca -0.45 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 2x0s h GLU 311 Cb 1.26 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 2x0s h GLU 311 CO 0.55 0.19 0.00 0.39 -1.18 0.00 0.00 179.01 178.97 2x0s n GLU 312 N -4.97 0.13 -0.04 1.92 4.71 -1.26 -0.59 120.64 120.55 2x0s n GLU 312 Ca -0.01 0.45 -0.01 0.00 -0.01 0.00 0.00 57.16 57.58 2x0s n GLU 312 Cb 0.08 -1.79 -0.00 0.00 -1.01 0.00 0.00 31.44 28.71 2x0s n GLU 312 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 2x0s h GLU 313 N 0.00 0.00 -1.00 3.49 4.81 -1.74 -3.35 114.58 116.79 2x0s h GLU 313 Ca 0.00 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.42 2x0s h GLU 313 Cb 0.23 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.51 2x0s h GLU 313 CO 0.00 0.00 0.61 0.07 -0.73 0.00 0.00 179.01 178.96 2x0s h ARG 314 N -0.66 0.73 -0.86 1.92 0.11 -1.24 0.57 114.38 114.96 2x0s h ARG 314 Ca 0.00 -0.04 0.21 0.00 0.10 0.00 0.00 59.98 60.24 2x0s h ARG 314 Cb 0.07 -0.16 -0.12 0.00 1.11 0.00 0.00 29.97 30.86 2x0s h ARG 314 CO 0.00 0.48 0.32 -0.09 0.10 0.00 0.00 179.97 180.78 2x0s h ARG 315 N 0.75 0.33 0.00 0.08 9.65 -1.01 -1.58 114.38 122.61 2x0s h ARG 315 Ca 0.58 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.44 2x0s h ARG 315 Cb 0.92 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.42 2x0s h ARG 315 CO -0.38 0.22 -1.58 1.63 2.80 0.00 0.00 179.97 182.66 2x0s n LYS 316 N -5.10 0.61 -0.13 0.20 5.02 -0.21 -4.47 118.16 114.08 2x0s n LYS 316 Ca 0.20 -0.12 -0.26 0.00 -2.02 0.00 0.00 58.31 56.10 2x0s n LYS 316 Cb 0.61 -1.33 -0.09 0.00 -0.02 0.00 0.00 35.03 34.20 2x0s n LYS 316 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2x0s n ARG 317 N -1.95 0.56 -3.39 1.97 1.74 0.02 -4.83 116.66 110.78 2x0s n ARG 317 Ca -0.02 0.24 -0.26 0.00 -0.77 0.00 0.00 57.85 57.04 2x0s n ARG 317 Cb 0.37 -1.44 -0.08 0.00 -1.02 0.00 0.00 32.46 30.28 2x0s n ARG 317 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2x0s n TYR 318 N -4.22 2.45 0.00 -1.55 4.02 -0.64 -5.03 117.16 112.19 2x0s n TYR 318 Ca -0.48 -3.99 0.00 0.00 -0.01 0.00 0.00 57.90 53.42 2x0s n TYR 318 Cb 0.83 -0.49 0.00 0.00 -0.02 0.00 0.00 39.34 39.67 2x0s n TYR 318 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 2x0s n PRO 319 N 1.13 0.00 0.00 -0.72 -0.02 -0.93 -4.65 135.00 129.81 2x0s n PRO 319 Ca 0.27 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2x0s n PRO 319 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.92 2x0s n PRO 319 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2x0s n SER 320 N 0.00 0.00 -0.35 2.55 2.88 -1.26 -4.55 113.62 112.89 2x0s n SER 320 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 2x0s n SER 320 Cb 0.00 0.00 0.33 0.00 -0.75 0.00 0.00 64.21 63.79 2x0s n SER 320 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 2x0s h MET 321 N 0.00 0.73 -0.83 -1.46 4.05 -1.16 0.68 114.93 116.94 2x0s h MET 321 Ca 0.00 -0.04 0.24 0.00 -0.28 0.00 0.00 59.70 59.62 2x0s h MET 321 Cb 0.00 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 30.60 2x0s h MET 321 CO 0.00 0.48 0.63 1.49 0.23 0.00 0.00 176.91 179.74 2x0s h GLU 322 N 0.75 0.00 0.00 0.39 4.81 -1.16 0.50 114.58 119.87 2x0s h GLU 322 Ca 0.57 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.80 2x0s h GLU 322 Cb 0.90 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.28 2x0s h GLU 322 CO -0.36 0.00 -0.89 -0.85 -0.73 0.00 0.00 179.01 176.18 2x0s n GLU 323 N -4.16 2.64 0.16 1.92 0.28 0.57 -3.88 120.64 118.17 2x0s n GLU 323 Ca 0.17 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 57.03 2x0s n GLU 323 Cb 0.93 -0.95 -0.08 0.00 1.43 0.00 0.00 31.44 32.77 2x0s n GLU 323 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2x0s h ALA 324 N 0.00 -0.40 -0.62 -1.84 0.00 0.26 -3.37 119.26 113.28 2x0s h ALA 324 Ca 0.00 -0.16 -0.45 0.00 0.00 0.00 0.00 54.91 54.30 2x0s h ALA 324 Cb 0.61 0.16 -0.34 0.00 0.00 0.00 0.00 17.79 18.21 2x0s h ALA 324 CO 0.00 -0.61 -0.68 -1.33 0.00 0.00 0.00 179.25 176.63 2x0s n MET 325 N -5.17 3.20 -0.32 0.00 2.81 0.15 -4.94 117.12 112.86 2x0s n MET 325 Ca -0.10 -3.97 0.18 0.00 -1.81 0.00 0.00 57.70 52.01 2x0s n MET 325 Cb 0.24 -2.16 0.36 0.00 -0.71 0.00 0.00 33.22 30.96 2x0s n MET 325 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2x0s h PRO 326 N 1.94 0.09 -0.77 0.03 0.13 -1.64 0.86 132.00 132.63 2x0s h PRO 326 Ca 0.31 -0.01 0.13 0.00 -0.87 0.00 0.00 66.00 65.57 2x0s h PRO 326 Cb 1.42 -0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.40 2x0s h PRO 326 CO 0.66 0.06 -0.35 1.49 -0.23 0.00 0.00 178.00 179.63 2x0s h GLU 327 N 0.09 -0.08 0.10 0.86 4.57 -1.89 0.26 114.58 118.50 2x0s h GLU 327 Ca 0.64 0.01 -0.26 0.00 -1.18 0.00 0.00 59.36 58.57 2x0s h GLU 327 Cb 1.44 0.02 0.03 0.00 -0.16 0.00 0.00 28.75 30.07 2x0s h GLU 327 CO -0.78 -0.05 -1.10 -0.91 -1.18 0.00 0.00 179.01 174.99 2x0s h ASN 328 N -0.08 0.79 -0.95 1.04 2.35 0.39 -2.85 115.58 116.25 2x0s h ASN 328 Ca 0.29 -0.83 0.08 0.00 -0.55 0.00 0.00 56.30 55.29 2x0s h ASN 328 Cb 0.57 -0.25 -0.07 0.00 0.05 0.00 0.00 38.32 38.63 2x0s h ASN 328 CO -0.82 1.53 0.60 0.22 -1.65 0.00 0.00 177.43 177.32 2x0s h TYR 329 N 0.15 1.11 -0.64 1.19 3.20 -1.25 0.77 116.97 121.51 2x0s h TYR 329 Ca -0.17 0.03 0.11 0.00 3.14 0.00 0.00 58.73 61.85 2x0s h TYR 329 Cb 1.79 -0.36 -0.08 0.00 1.54 0.00 0.00 36.73 39.62 2x0s h TYR 329 CO 0.13 0.54 0.19 -0.09 -1.64 0.00 0.00 178.16 177.30 2x0s h ARG 330 N 1.07 0.33 -0.06 1.82 2.43 -0.88 0.43 114.38 119.52 2x0s h ARG 330 Ca 0.43 -0.02 -0.23 0.00 -0.81 0.00 0.00 59.98 59.35 2x0s h ARG 330 Cb 0.23 -0.07 0.02 0.00 -0.42 0.00 0.00 29.97 29.72 2x0s h ARG 330 CO -0.19 0.22 -0.85 1.25 -1.51 0.00 0.00 179.97 178.89 2x0s h LEU 331 N 0.34 0.86 -1.75 3.80 5.85 -0.86 -2.24 115.31 121.31 2x0s h LEU 331 Ca 0.33 -0.69 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 2x0s h LEU 331 Cb 0.48 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 2x0s h LEU 331 CO -0.38 1.42 -0.14 0.25 -0.34 0.00 0.00 178.44 179.26 2x0s h LEU 332 N 0.36 0.00 -0.32 2.25 7.12 0.83 -0.57 115.31 124.98 2x0s h LEU 332 Ca -0.09 0.00 -0.08 0.00 0.13 0.00 0.00 57.88 57.84 2x0s h LEU 332 Cb 1.50 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.62 2x0s h LEU 332 CO 0.17 0.14 -0.11 0.00 -0.13 0.00 0.00 178.44 178.51 2x0s h ASP 334 N 0.42 -1.18 -0.72 0.00 1.82 -0.57 -2.46 116.42 113.73 2x0s h ASP 334 Ca 0.08 0.11 0.15 0.00 -0.39 0.00 0.00 57.03 56.98 2x0s h ASP 334 Cb 0.62 0.42 -0.10 0.00 0.68 0.00 0.00 39.33 40.95 2x0s h ASP 334 CO 0.04 -0.53 0.19 0.58 -1.61 0.00 0.00 179.24 177.91 2x0s h VAL 335 N -0.76 0.56 -0.36 2.25 2.07 -1.13 0.14 116.25 119.02 2x0s h VAL 335 Ca -0.01 -0.10 0.08 0.00 0.82 0.00 0.00 66.70 67.48 2x0s h VAL 335 Cb 0.72 0.24 -0.09 0.00 -1.52 0.00 0.00 31.29 30.64 2x0s h VAL 335 CO -0.15 0.05 -0.31 -0.09 0.02 0.00 0.00 177.57 177.10 2x0s h ARG 336 N 0.30 -0.25 -0.26 1.57 1.12 -1.20 -0.45 114.38 115.21 2x0s h ARG 336 Ca 0.40 0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 59.28 2x0s h ARG 336 Cb 0.65 0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.65 2x0s h ARG 336 CO -0.47 -0.17 0.16 -0.22 -3.11 0.00 0.00 179.97 176.16 2x0s h LYS 337 N -0.26 0.35 -0.30 0.20 3.64 -0.49 -2.29 116.57 117.43 2x0s h LYS 337 Ca 0.16 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.58 2x0s h LYS 337 Cb 0.53 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.19 2x0s h LYS 337 CO -0.50 0.28 -0.30 -0.09 -2.27 0.00 0.00 179.45 176.56 2x0s h ARG 338 N 0.33 -0.28 -0.06 1.90 2.43 -0.31 -1.37 114.38 117.02 2x0s h ARG 338 Ca 0.09 0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.13 2x0s h ARG 338 Cb 0.01 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2x0s h ARG 338 CO -0.02 -0.18 -0.64 -0.07 -1.51 0.00 0.00 179.97 177.55 2x0s h LEU 339 N -0.29 0.28 -0.19 3.80 3.38 -1.04 -2.28 115.31 118.97 2x0s h LEU 339 Ca 0.15 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2x0s h LEU 339 Cb 0.52 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2x0s h LEU 339 CO -0.46 0.85 0.06 -0.33 0.09 0.00 0.00 178.44 178.65 2x0s h GLU 340 N 0.18 0.30 -0.46 1.13 5.08 -1.23 -0.14 114.58 119.44 2x0s h GLU 340 Ca -0.01 -0.07 0.13 0.00 -1.00 0.00 0.00 59.36 58.42 2x0s h GLU 340 Cb 1.16 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2x0s h GLU 340 CO 0.10 0.41 0.34 -0.91 -1.00 0.00 0.00 179.01 177.95 2x0s h ASN 341 N 0.14 0.00 0.00 1.42 4.21 -1.16 0.29 115.58 120.48 2x0s h ASN 341 Ca 0.06 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.54 2x0s h ASN 341 Cb 0.24 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.43 2x0s h ASN 341 CO -0.00 0.00 -0.36 -0.74 -1.29 0.00 0.00 177.43 175.04 2x0s h HIS 342 N 0.00 0.00 0.00 1.19 2.76 -0.88 -3.38 115.15 114.83 2x0s h HIS 342 Ca 0.22 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 2x0s h HIS 342 Cb 0.89 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.85 2x0s h HIS 342 CO 0.00 0.34 0.00 0.66 -1.30 0.00 0.00 177.93 177.63 2x0s n TYR 343 N -4.65 0.00 -2.41 5.26 4.02 -0.11 -4.92 117.16 114.34 2x0s n TYR 343 Ca -0.08 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.62 2x0s n TYR 343 Cb 0.25 -0.36 -0.00 0.00 -0.02 0.00 0.00 39.34 39.21 2x0s n TYR 343 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2x0s n ARG 344 N -1.36 -1.77 -3.59 -0.72 1.74 0.10 -4.94 116.66 106.12 2x0s n ARG 344 Ca 0.11 0.87 -0.14 0.00 -0.77 0.00 0.00 57.85 57.92 2x0s n ARG 344 Cb 0.27 -5.39 -0.06 0.00 -1.02 0.00 0.00 32.46 26.26 2x0s n ARG 344 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2x0s s ASP 345 N -2.25 -0.60 -0.40 0.55 -1.08 -1.23 -4.92 116.67 106.75 2x0s s ASP 345 Ca 0.03 0.91 -0.40 0.00 -0.52 0.00 0.00 52.55 52.57 2x0s s ASP 345 Cb -0.01 0.84 -0.17 0.00 -1.46 0.00 0.00 42.92 42.11 2x0s s ASP 345 CO 0.04 -0.37 1.35 0.80 0.52 0.00 0.00 175.17 177.51 2x0s n MET 346 N 1.65 0.00 -4.19 4.34 0.00 -1.26 -4.62 117.12 113.04 2x0s n MET 346 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 57.70 57.30 2x0s n MET 346 Cb 0.56 -1.30 -0.07 0.00 0.00 0.00 0.00 33.22 32.41 2x0s n MET 346 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2x0s s GLN 347 N 2.40 2.53 0.14 2.12 -1.52 -1.26 -1.39 119.66 122.68 2x0s s GLN 347 Ca 0.90 -1.10 0.10 0.00 -1.95 0.00 0.00 55.36 53.31 2x0s s GLN 347 Cb -1.29 -2.40 -0.04 0.00 -0.22 0.00 0.00 33.01 29.06 2x0s s GLN 347 CO 0.70 0.44 -0.24 0.16 -0.25 0.00 0.00 175.29 176.10 2x0s s ASP 348 N -3.17 3.06 -0.06 5.90 1.47 -0.65 -1.17 116.67 122.05 2x0s s ASP 348 Ca 0.29 -0.76 0.02 0.00 1.18 0.00 0.00 52.55 53.28 2x0s s ASP 348 Cb -0.09 -0.20 0.02 0.00 -0.34 0.00 0.00 42.92 42.31 2x0s s ASP 348 CO 0.20 0.12 -0.09 -0.76 0.68 0.00 0.00 175.17 175.32 2x0s s LEU 349 N -2.17 1.53 -0.18 2.11 1.43 0.24 -2.39 118.68 119.26 2x0s s LEU 349 Ca 0.13 -0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 52.94 2x0s s LEU 349 Cb -0.09 -0.68 -0.03 0.00 0.03 0.00 0.00 46.19 45.41 2x0s s LEU 349 CO 0.06 0.00 0.03 -1.61 0.23 0.00 0.00 176.35 175.06 2x0s s GLU 350 N 0.75 3.84 0.22 1.70 2.02 0.29 -0.67 118.70 126.84 2x0s s GLU 350 Ca -0.13 -0.42 -0.00 0.00 0.02 0.00 0.00 54.97 54.43 2x0s s GLU 350 Cb -0.15 -3.11 -0.04 0.00 0.10 0.00 0.00 34.13 30.93 2x0s s GLU 350 CO 0.02 0.23 0.12 -0.59 0.02 0.00 0.00 175.26 175.07 2x0s s PHE 351 N 0.45 1.27 -0.25 1.61 -0.12 -0.84 -0.15 117.98 119.95 2x0s s PHE 351 Ca 0.01 -1.33 -0.07 0.00 -0.05 0.00 0.00 56.93 55.48 2x0s s PHE 351 Cb -0.13 -0.65 0.12 0.00 -0.63 0.00 0.00 43.02 41.72 2x0s s PHE 351 CO 0.01 -0.56 0.52 0.99 -0.05 0.00 0.00 175.22 176.13 2x0s s THR 352 N -4.04 -0.81 -0.65 -4.49 2.01 -0.57 -0.99 115.64 106.11 2x0s s THR 352 Ca 0.39 0.07 -0.17 0.00 0.31 0.00 0.00 61.69 62.29 2x0s s THR 352 Cb 0.07 -0.83 0.14 0.00 0.01 0.00 0.00 72.50 71.89 2x0s s THR 352 CO 0.13 0.02 0.68 -0.69 -0.69 0.00 0.00 174.62 174.06 2x0s s VAL 353 N 2.74 5.12 -0.50 3.82 1.01 0.32 -0.86 120.40 132.04 2x0s s VAL 353 Ca 0.00 -1.53 -0.22 0.00 0.00 0.00 0.00 61.98 60.24 2x0s s VAL 353 Cb -0.13 -4.45 0.04 0.00 0.00 0.00 0.00 36.38 31.84 2x0s s VAL 353 CO -0.16 -1.05 0.77 -1.58 0.00 0.00 0.00 175.10 173.08 2x0s s GLN 354 N 1.77 3.28 -1.06 2.72 0.74 0.31 -1.40 119.66 126.02 2x0s s GLN 354 Ca 0.11 -0.41 -0.05 0.00 0.05 0.00 0.00 55.36 55.06 2x0s s GLN 354 Cb -0.22 -4.02 -0.06 0.00 1.10 0.00 0.00 33.01 29.81 2x0s s GLN 354 CO 0.01 -1.25 0.92 -3.47 -0.55 0.00 0.00 175.29 170.95 2x0s n ASP 355 N 6.74 -6.20 0.00 6.67 -0.08 -1.20 -2.13 116.55 120.35 2x0s n ASP 355 Ca -0.01 -0.70 0.00 0.00 -1.51 0.00 0.00 54.79 52.57 2x0s n ASP 355 Cb 0.47 -5.20 0.00 0.00 2.34 0.00 0.00 41.12 38.74 2x0s n ASP 355 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2x0s n GLY 356 N -1.22 2.06 3.64 0.27 0.00 0.30 -4.95 105.19 105.28 2x0s n GLY 356 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 2x0s n GLY 356 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2x0s s ARG 357 N 0.00 4.15 0.06 1.61 6.06 -0.91 -4.95 118.95 124.97 2x0s s ARG 357 Ca 0.00 0.61 -0.30 0.00 -2.50 0.00 0.00 55.73 53.54 2x0s s ARG 357 Cb 0.00 -3.63 -0.05 0.00 0.06 0.00 0.00 34.95 31.33 2x0s s ARG 357 CO 0.00 -0.37 1.02 -1.17 -2.50 0.00 0.00 175.30 172.28 2x0s s LEU 358 N 2.36 4.42 0.05 -0.88 2.96 -1.26 -0.53 118.68 125.79 2x0s s LEU 358 Ca 0.28 1.81 0.05 0.00 -0.22 0.00 0.00 54.13 56.05 2x0s s LEU 358 Cb -0.16 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 42.93 2x0s s LEU 358 CO 0.09 -0.23 -0.15 0.26 -1.32 0.00 0.00 176.35 174.99 2x0s s TRP 359 N 0.58 1.34 -0.28 5.38 0.52 -0.04 -4.86 118.94 121.57 2x0s s TRP 359 Ca 0.51 -0.37 -0.04 0.00 0.02 0.00 0.00 56.10 56.23 2x0s s TRP 359 Cb -0.24 -0.79 0.02 0.00 -1.15 0.00 0.00 33.47 31.32 2x0s s TRP 359 CO 0.30 0.05 0.01 -1.17 0.02 0.00 0.00 176.95 176.15 2x0s s LEU 360 N -1.24 3.58 -0.09 2.99 2.96 -0.79 -1.51 118.68 124.58 2x0s s LEU 360 Ca 0.02 -0.88 0.10 0.00 -0.22 0.00 0.00 54.13 53.15 2x0s s LEU 360 Cb -0.08 -1.76 -0.24 0.00 0.50 0.00 0.00 46.19 44.61 2x0s s LEU 360 CO 0.02 -0.18 0.48 0.18 -1.32 0.00 0.00 176.35 175.53 2x0s n LEU 361 N 4.74 1.04 -3.65 -0.68 4.77 0.78 -4.34 117.00 119.67 2x0s n LEU 361 Ca -0.15 0.29 -0.15 0.00 -0.03 0.00 0.00 56.01 55.98 2x0s n LEU 361 Cb 0.47 0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.49 2x0s n LEU 361 CO 0.29 0.49 0.29 -1.58 -1.33 0.00 0.00 177.39 175.55 2x0s s GLN 362 N -2.57 0.77 -0.21 3.23 0.74 -1.16 -4.98 119.66 115.48 2x0s s GLN 362 Ca -0.09 0.57 -0.09 0.00 0.05 0.00 0.00 55.36 55.80 2x0s s GLN 362 Cb 0.07 0.37 0.09 0.00 1.10 0.00 0.00 33.01 34.64 2x0s s GLN 362 CO 0.81 -0.15 0.47 0.00 -0.55 0.00 0.00 175.29 175.87 2x0s s ARG 364 N 2.27 0.47 0.12 0.00 0.52 -1.00 -4.99 118.95 116.34 2x0s s ARG 364 Ca -0.05 -0.58 -0.33 0.00 -0.52 0.00 0.00 55.73 54.25 2x0s s ARG 364 Cb -0.10 0.18 -0.13 0.00 0.52 0.00 0.00 34.95 35.42 2x0s s ARG 364 CO -0.14 -0.11 1.67 0.09 0.02 0.00 0.00 175.30 176.83 2x0s n ASN 365 N 1.27 3.34 -4.76 0.23 4.13 -1.26 -1.64 115.26 116.57 2x0s n ASN 365 Ca -0.22 1.05 -0.39 0.00 1.68 0.00 0.00 54.58 56.70 2x0s n ASN 365 Cb 0.56 -1.44 -0.06 0.00 -1.54 0.00 0.00 39.78 37.30 2x0s n ASN 365 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 2x0s s GLY 366 N 1.64 2.81 0.84 7.41 0.00 -0.48 -4.80 107.32 114.74 2x0s s GLY 366 Ca 0.81 0.27 -0.11 0.00 0.00 0.00 0.00 44.72 45.69 2x0s s GLY 366 CO 0.39 0.92 1.10 0.54 0.00 0.00 0.00 173.10 176.06 2x0s s LYS 367 N -0.56 1.71 0.19 2.90 -0.14 -1.26 -4.94 119.74 117.64 2x0s s LYS 367 Ca 0.36 1.12 -0.23 0.00 -1.36 0.00 0.00 55.97 55.86 2x0s s LYS 367 Cb -0.21 -1.84 0.05 0.00 -1.68 0.00 0.00 37.83 34.15 2x0s s LYS 367 CO 0.23 -2.01 0.71 -0.98 -0.76 0.00 0.00 175.35 172.54 2x0s s ARG 368 N -4.86 1.44 0.81 1.68 1.70 -1.26 -4.83 118.95 113.62 2x0s s ARG 368 Ca 0.63 -0.68 -0.12 0.00 -0.47 0.00 0.00 55.73 55.09 2x0s s ARG 368 Cb -0.18 0.56 0.08 0.00 -0.57 0.00 0.00 34.95 34.84 2x0s s ARG 368 CO 0.57 -0.65 1.12 0.95 -1.08 0.00 0.00 175.30 176.21 2x0s s THR 369 N -3.72 2.69 0.10 4.99 -4.23 -0.75 -4.86 115.64 109.86 2x0s s THR 369 Ca 0.06 0.22 -0.19 0.00 -1.18 0.00 0.00 61.69 60.61 2x0s s THR 369 Cb -0.03 -3.06 -0.06 0.00 1.34 0.00 0.00 72.50 70.69 2x0s s THR 369 CO -0.03 -0.29 1.63 -0.29 -0.54 0.00 0.00 174.62 175.10 2x0s h ILE 370 N -1.11 1.19 -0.34 2.99 6.09 -1.91 -0.63 117.51 123.79 2x0s h ILE 370 Ca -0.47 -0.59 0.07 0.00 -1.37 0.00 0.00 64.86 62.50 2x0s h ILE 370 Cb 1.29 1.07 -0.08 0.00 0.47 0.00 0.00 36.82 39.57 2x0s h ILE 370 CO 0.62 0.20 -0.29 0.45 -3.07 0.00 0.00 178.15 176.06 2x0s h HIS 371 N 0.27 -0.78 -0.12 2.19 3.86 -1.94 -0.73 115.15 117.90 2x0s h HIS 371 Ca 0.09 0.05 0.03 0.00 -1.16 0.00 0.00 60.37 59.38 2x0s h HIS 371 Cb 0.21 0.39 -0.04 0.00 1.06 0.00 0.00 27.41 29.04 2x0s h HIS 371 CO -0.00 -0.36 -0.10 0.00 0.86 0.00 0.00 177.93 178.33 2x0s h ALA 372 N 0.79 -0.01 -0.77 2.45 0.00 -1.49 -2.27 119.26 117.97 2x0s h ALA 372 Ca 0.16 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.17 2x0s h ALA 372 Cb 0.51 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 2x0s h ALA 372 CO -0.48 -0.55 0.51 0.00 0.00 0.00 0.00 179.25 178.72 2x0s h ALA 373 N 0.97 1.60 -0.84 0.00 0.00 -0.42 0.32 119.26 120.90 2x0s h ALA 373 Ca 0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2x0s h ALA 373 Cb 0.23 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2x0s h ALA 373 CO -0.19 0.30 0.42 0.28 0.00 0.00 0.00 179.25 180.06 2x0s h VAL 374 N 0.88 1.25 0.00 0.00 2.07 -0.70 -2.31 116.25 117.44 2x0s h VAL 374 Ca 0.32 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 67.15 2x0s h VAL 374 Cb 0.15 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 2x0s h VAL 374 CO -0.10 0.30 0.00 -1.14 0.02 0.00 0.00 177.57 176.65 2x0s n ARG 375 N -4.34 0.00 -0.32 1.57 3.00 -0.05 -2.73 116.66 113.78 2x0s n ARG 375 Ca 0.08 0.49 0.20 0.00 -0.00 0.00 0.00 57.85 58.63 2x0s n ARG 375 Cb 0.13 -1.26 0.41 0.00 0.00 0.00 0.00 32.46 31.73 2x0s n ARG 375 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 2x0s h ILE 376 N 0.00 0.21 0.48 5.15 2.04 -1.22 0.25 117.51 124.42 2x0s h ILE 376 Ca 0.00 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2x0s h ILE 376 Cb 0.00 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.08 2x0s h ILE 376 CO 0.00 0.03 -0.34 0.00 0.00 0.00 0.00 178.15 177.84 2x0s h ALA 377 N 1.88 -0.82 -0.26 1.87 0.00 -1.49 0.56 119.26 121.01 2x0s h ALA 377 Ca 0.68 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.50 2x0s h ALA 377 Cb 1.53 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 19.70 2x0s h ALA 377 CO -0.70 -0.98 -0.18 0.82 0.00 0.00 0.00 179.25 178.21 2x0s h ILE 378 N -0.80 0.50 -0.01 0.00 2.04 -0.36 -1.24 117.51 117.63 2x0s h ILE 378 Ca -0.05 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.84 2x0s h ILE 378 Cb 0.67 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 2x0s h ILE 378 CO 0.02 0.00 -0.37 0.44 0.00 0.00 0.00 178.15 178.25 2x0s h ASP 379 N -0.16 -1.12 0.21 1.72 5.19 -0.93 -1.11 116.42 120.22 2x0s h ASP 379 Ca 0.14 0.14 -0.00 0.00 -0.62 0.00 0.00 57.03 56.69 2x0s h ASP 379 Cb 0.38 0.45 -0.00 0.00 0.18 0.00 0.00 39.33 40.33 2x0s h ASP 379 CO -0.36 -0.42 -0.02 0.24 -3.12 0.00 0.00 179.24 175.57 2x0s h MET 380 N -0.52 0.00 0.46 3.56 2.86 -0.64 0.90 114.93 121.55 2x0s h MET 380 Ca 0.06 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 2x0s h MET 380 Cb 0.61 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.27 2x0s h MET 380 CO -0.30 0.02 -0.22 0.28 1.06 0.00 0.00 176.91 177.74 2x0s h VAL 381 N 0.00 0.34 -0.44 -2.22 2.07 -0.44 0.29 116.25 115.86 2x0s h VAL 381 Ca -0.00 -0.52 0.05 0.00 0.82 0.00 0.00 66.70 67.05 2x0s h VAL 381 Cb 0.12 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 2x0s h VAL 381 CO 0.00 0.06 0.17 0.78 0.02 0.00 0.00 177.57 178.60 2x0s h ASN 382 N -1.01 0.19 0.26 0.57 2.35 0.24 0.15 115.58 118.34 2x0s h ASN 382 Ca -0.06 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2x0s h ASN 382 Cb 0.58 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.97 2x0s h ASN 382 CO 0.10 0.15 0.00 -0.33 -1.65 0.00 0.00 177.43 175.70 2x0s h GLU 383 N 0.35 0.00 0.00 0.81 5.08 0.65 -3.45 114.58 118.02 2x0s h GLU 383 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2x0s h GLU 383 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2x0s h GLU 383 CO -0.19 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.23 2x0s n GLY 384 N -0.83 0.70 0.08 -3.84 0.00 0.04 -4.98 105.19 96.36 2x0s n GLY 384 Ca -0.01 -0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 2x0s n GLY 384 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2x0s h LEU 385 N 0.00 0.11 -7.77 0.99 5.85 -0.63 -3.47 115.31 110.38 2x0s h LEU 385 Ca 0.00 -0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.53 2x0s h LEU 385 Cb 0.00 -0.03 -0.14 0.00 0.37 0.00 0.00 40.66 40.86 2x0s h LEU 385 CO 0.00 1.03 -0.34 0.27 -0.34 0.00 0.00 178.44 179.06 2x0s s ILE 386 N -2.85 0.13 0.70 4.05 -4.36 -0.91 -4.93 121.20 113.03 2x0s s ILE 386 Ca -0.01 -1.12 -0.11 0.00 -0.26 0.00 0.00 60.65 59.15 2x0s s ILE 386 Cb 0.10 -1.33 0.01 0.00 1.25 0.00 0.00 42.46 42.48 2x0s s ILE 386 CO 0.83 -0.61 1.09 -0.94 0.24 0.00 0.00 174.94 175.55 2x0s s SER 387 N -2.86 5.54 0.17 4.36 1.04 -1.26 -4.18 113.70 116.52 2x0s s SER 387 Ca 0.05 1.17 -0.13 0.00 0.48 0.00 0.00 55.95 57.52 2x0s s SER 387 Cb 0.05 -2.00 0.08 0.00 0.10 0.00 0.00 66.02 64.24 2x0s s SER 387 CO -0.11 -1.29 1.79 0.03 0.98 0.00 0.00 173.24 174.65 2x0s h ARG 388 N -0.62 0.79 -0.15 4.02 3.08 -1.98 0.99 114.38 120.52 2x0s h ARG 388 Ca -0.45 -0.09 0.03 0.00 0.07 0.00 0.00 59.98 59.55 2x0s h ARG 388 Cb 1.25 -0.16 -0.07 0.00 0.08 0.00 0.00 29.97 31.07 2x0s h ARG 388 CO 0.64 0.60 -0.53 1.49 -1.07 0.00 0.00 179.97 181.10 2x0s h GLU 389 N 0.77 -0.54 -0.99 0.04 4.81 -1.98 -1.17 114.58 115.53 2x0s h GLU 389 Ca 0.20 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.59 2x0s h GLU 389 Cb 0.03 0.12 -0.08 0.00 0.63 0.00 0.00 28.75 29.45 2x0s h GLU 389 CO -0.03 -0.36 0.62 1.49 -0.73 0.00 0.00 179.01 179.99 2x0s h GLU 390 N -0.56 0.96 -0.07 1.92 4.57 -1.85 -2.51 114.58 117.04 2x0s h GLU 390 Ca 0.04 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.18 2x0s h GLU 390 Cb 0.67 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 29.00 2x0s h GLU 390 CO -0.44 0.63 -0.38 0.00 -1.18 0.00 0.00 179.01 177.65 2x0s h ALA 391 N 1.53 -0.77 -0.90 2.92 0.00 0.34 -2.43 119.26 119.94 2x0s h ALA 391 Ca 0.49 -0.05 0.25 0.00 0.00 0.00 0.00 54.91 55.60 2x0s h ALA 391 Cb 0.46 0.87 -0.15 0.00 0.00 0.00 0.00 17.79 18.97 2x0s h ALA 391 CO -0.26 -0.90 0.24 0.28 0.00 0.00 0.00 179.25 178.62 2x0s h VAL 392 N -0.42 0.26 0.00 0.00 2.07 -0.84 0.41 116.25 117.74 2x0s h VAL 392 Ca 0.02 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2x0s h VAL 392 Cb 0.48 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2x0s h VAL 392 CO -0.29 0.03 0.00 -0.07 0.02 0.00 0.00 177.57 177.26 2x0s h LEU 393 N 0.18 0.00 -3.24 2.57 3.38 -1.35 -1.91 115.31 114.94 2x0s h LEU 393 Ca 0.58 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.51 2x0s h LEU 393 Cb 1.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 2x0s h LEU 393 CO -0.69 0.00 0.06 0.54 0.09 0.00 0.00 178.44 178.44 2x0s n ARG 394 N -2.42 4.11 -4.33 1.13 1.74 0.15 -4.78 116.66 112.25 2x0s n ARG 394 Ca -0.00 -2.68 -0.31 0.00 -0.77 0.00 0.00 57.85 54.09 2x0s n ARG 394 Cb 0.13 -2.14 -0.16 0.00 -1.02 0.00 0.00 32.46 29.26 2x0s n ARG 394 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2x0s s ILE 395 N -2.54 1.73 -0.12 0.55 1.01 -0.72 -4.87 121.20 116.24 2x0s s ILE 395 Ca 0.47 -0.76 -0.18 0.00 0.00 0.00 0.00 60.65 60.17 2x0s s ILE 395 Cb 0.36 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 2x0s s ILE 395 CO 0.13 0.49 0.48 -0.62 0.00 0.00 0.00 174.94 175.42 2x0s s ASP 396 N 1.14 6.67 0.37 3.58 -1.08 -1.26 -4.95 116.67 121.14 2x0s s ASP 396 Ca -0.01 0.80 0.16 0.00 -0.52 0.00 0.00 52.55 52.98 2x0s s ASP 396 Cb -0.14 -2.28 0.74 0.00 -1.46 0.00 0.00 42.92 39.77 2x0s s ASP 396 CO -0.06 -0.01 1.79 -0.65 0.52 0.00 0.00 175.17 176.76 2x0s h PRO 397 N 6.77 0.00 -0.05 4.34 0.11 -1.97 -2.18 132.00 139.03 2x0s h PRO 397 Ca -0.41 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.64 2x0s h PRO 397 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2x0s h PRO 397 CO 0.75 0.38 -0.27 1.88 -0.21 0.00 0.00 178.00 180.53 2x0s h TYR 398 N 0.00 0.09 0.00 0.65 0.05 -1.94 -2.54 116.97 113.29 2x0s h TYR 398 Ca -0.00 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.76 2x0s h TYR 398 Cb 0.77 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.49 2x0s h TYR 398 CO 0.00 0.36 -0.53 1.04 -1.05 0.00 0.00 178.16 177.97 2x0s n GLN 399 N -4.18 0.15 0.31 4.88 6.02 -0.90 -4.10 117.38 119.56 2x0s n GLN 399 Ca -0.02 0.04 0.19 0.00 -0.01 0.00 0.00 57.00 57.20 2x0s n GLN 399 Cb 0.34 -1.59 1.03 0.00 1.02 0.00 0.00 30.24 31.04 2x0s n GLN 399 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2x0s h VAL 400 N 0.00 0.24 -0.41 5.09 2.07 -0.96 0.21 116.25 122.49 2x0s h VAL 400 Ca 0.00 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 2x0s h VAL 400 Cb 0.62 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2x0s h VAL 400 CO 0.00 0.02 0.01 0.44 0.02 0.00 0.00 177.57 178.06 2x0s h ASP 401 N 0.00 0.61 0.00 0.57 3.32 -1.73 -2.61 116.42 116.59 2x0s h ASP 401 Ca -0.00 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.92 2x0s h ASP 401 Cb 0.08 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.47 2x0s h ASP 401 CO 0.00 0.67 0.10 1.41 -1.72 0.00 0.00 179.24 179.71 2x0s n HIS 402 N -4.25 0.37 1.09 4.55 8.25 0.73 -0.02 115.22 125.93 2x0s n HIS 402 Ca 0.02 0.19 0.14 0.00 -0.26 0.00 0.00 57.72 57.81 2x0s n HIS 402 Cb 0.26 -0.73 0.53 0.00 1.12 0.00 0.00 29.99 31.18 2x0s n HIS 402 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2x0s n LEU 403 N -1.87 0.19 -1.44 2.41 4.32 -0.98 -3.29 117.00 116.34 2x0s n LEU 403 Ca -0.01 0.29 -0.01 0.00 -0.02 0.00 0.00 56.01 56.27 2x0s n LEU 403 Cb 0.12 -0.38 0.21 0.00 -1.62 0.00 0.00 43.42 41.75 2x0s n LEU 403 CO 0.05 0.04 0.71 0.23 -1.22 0.00 0.00 177.39 177.20 2x0s n MET 404 N -1.41 2.92 -3.44 3.23 2.81 0.98 -4.76 117.12 117.44 2x0s n MET 404 Ca 0.08 -1.85 -0.36 0.00 -1.81 0.00 0.00 57.70 53.76 2x0s n MET 404 Cb 0.32 -1.89 -0.06 0.00 -0.71 0.00 0.00 33.22 30.88 2x0s n MET 404 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 2x0s s HIS 405 N -2.02 3.63 0.38 2.03 3.76 -1.21 -4.85 115.29 117.01 2x0s s HIS 405 Ca 0.33 0.98 -0.23 0.00 -0.15 0.00 0.00 55.06 55.99 2x0s s HIS 405 Cb 0.26 -2.30 -0.10 0.00 1.11 0.00 0.00 32.58 31.54 2x0s s HIS 405 CO 0.09 0.49 0.94 -2.14 -0.85 0.00 0.00 174.74 173.27 2x0s s PRO 406 N -1.79 4.38 0.41 8.40 0.02 -1.26 -4.01 135.00 141.14 2x0s s PRO 406 Ca 0.34 1.20 0.03 0.00 0.02 0.00 0.00 61.00 62.59 2x0s s PRO 406 Cb -0.15 -2.46 -0.03 0.00 0.02 0.00 0.00 34.50 31.89 2x0s s PRO 406 CO 0.18 0.11 0.11 0.54 -0.33 0.00 0.00 177.00 177.61 2x0s s ASN 407 N -1.94 2.90 1.12 2.53 2.20 -1.09 -2.70 114.94 117.96 2x0s s ASN 407 Ca 0.57 -1.65 -0.16 0.00 -0.94 0.00 0.00 52.86 50.68 2x0s s ASN 407 Cb -0.13 0.45 0.25 0.00 -2.00 0.00 0.00 41.25 39.82 2x0s s ASN 407 CO 0.18 -0.89 1.10 -0.76 -2.94 0.00 0.00 177.10 173.78 2x0s s LEU 408 N -3.63 1.05 0.32 3.54 1.02 -1.26 -0.82 118.68 118.89 2x0s s LEU 408 Ca 0.23 0.90 0.10 0.00 0.02 0.00 0.00 54.13 55.37 2x0s s LEU 408 Cb 0.03 -2.82 -0.06 0.00 0.02 0.00 0.00 46.19 43.36 2x0s s LEU 408 CO 0.13 -3.73 -0.12 -0.70 0.02 0.00 0.00 176.35 171.96 2x0s s GLU 409 N -5.17 1.74 0.00 1.70 2.12 -1.25 -4.60 118.70 113.23 2x0s s GLU 409 Ca 0.68 -1.87 0.00 0.00 0.36 0.00 0.00 54.97 54.14 2x0s s GLU 409 Cb -0.14 -1.64 0.00 0.00 0.26 0.00 0.00 34.13 32.61 2x0s s GLU 409 CO 0.57 0.18 0.17 -2.30 -0.54 0.00 0.00 175.26 173.34 2x0s n PRO 410 N -0.71 0.00 0.00 4.30 -0.02 -1.26 -1.93 135.00 135.37 2x0s n PRO 410 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2x0s n PRO 410 Cb 0.63 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 2x0s n PRO 410 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x0s n GLY 411 N -0.67 0.42 0.32 -1.23 0.00 -1.26 -1.65 105.19 101.13 2x0s n GLY 411 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2x0s n GLY 411 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x0s n ALA 412 N 0.35 3.69 -0.30 4.61 0.00 -0.81 -3.92 120.51 124.12 2x0s n ALA 412 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.87 2x0s n ALA 412 Cb 0.07 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2x0s n ALA 412 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2x0s n GLU 413 N -0.51 1.01 -0.34 0.00 4.71 -0.66 -4.00 120.64 120.86 2x0s n GLU 413 Ca 0.09 -0.16 0.17 0.00 -0.01 0.00 0.00 57.16 57.24 2x0s n GLU 413 Cb 0.41 -0.58 0.39 0.00 -1.01 0.00 0.00 31.44 30.65 2x0s n GLU 413 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 2x0s h LYS 414 N 0.00 0.59 -2.38 3.49 3.64 -1.64 -3.41 116.57 116.86 2x0s h LYS 414 Ca 0.00 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 2x0s h LYS 414 Cb 0.15 -0.13 -0.20 0.00 -0.41 0.00 0.00 32.23 31.64 2x0s h LYS 414 CO 0.00 0.39 0.02 0.00 -2.27 0.00 0.00 179.45 177.59 2x0s s ALA 415 N -5.74 -1.41 0.00 5.00 0.00 -1.26 -5.09 121.76 113.26 2x0s s ALA 415 Ca -0.10 0.98 0.00 0.00 0.00 0.00 0.00 51.96 52.84 2x0s s ALA 415 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.37 2x0s s ALA 415 CO 0.80 -0.33 0.00 -1.71 0.00 0.00 0.00 175.76 174.52 2x0s n ASN 416 N 1.11 0.00 0.00 0.00 4.05 -1.26 -4.40 115.26 114.77 2x0s n ASN 416 Ca -0.20 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.83 2x0s n ASN 416 Cb 0.57 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.58 2x0s n ASN 416 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 2x0s n LYS 417 N 0.00 0.00 -1.88 1.20 2.85 -1.26 -4.86 118.16 114.21 2x0s n LYS 417 Ca 0.00 0.17 -0.23 0.00 -1.05 0.00 0.00 58.31 57.20 2x0s n LYS 417 Cb 0.00 -2.22 -0.06 0.00 -0.65 0.00 0.00 35.03 32.11 2x0s n LYS 417 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 2x0s s PRO 418 N -0.86 2.23 -0.29 -1.58 0.02 -1.26 -4.34 135.00 128.91 2x0s s PRO 418 Ca 0.00 0.05 -0.00 0.00 0.02 0.00 0.00 61.00 61.06 2x0s s PRO 418 Cb 0.00 -4.93 0.23 0.00 0.02 0.00 0.00 34.50 29.82 2x0s s PRO 418 CO 0.00 -3.71 1.89 0.44 -0.33 0.00 0.00 177.00 175.29 2x0s n ILE 419 N 8.16 2.61 0.00 2.83 -6.64 -1.00 -4.89 119.36 120.42 2x0s n ILE 419 Ca 0.41 -1.47 0.00 0.00 -1.77 0.00 0.00 62.75 59.92 2x0s n ILE 419 Cb 0.46 -1.22 0.00 0.00 -1.44 0.00 0.00 39.64 37.44 2x0s n ILE 419 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2x0s n GLY 420 N 0.24 2.00 3.12 3.28 0.00 -1.25 -4.47 105.19 108.11 2x0s n GLY 420 Ca 0.29 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 2x0s n GLY 420 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2x0s s ARG 421 N -2.00 0.38 0.00 1.61 3.52 -1.26 -2.61 118.95 118.59 2x0s s ARG 421 Ca 0.00 0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.64 2x0s s ARG 421 Cb 0.00 0.17 0.00 0.00 -1.56 0.00 0.00 34.95 33.56 2x0s s ARG 421 CO 0.00 -0.08 0.00 0.41 -0.81 0.00 0.00 175.30 174.82 2x0s n GLY 422 N 2.29 5.17 3.89 8.12 0.00 -0.57 -4.42 105.19 119.67 2x0s n GLY 422 Ca -0.17 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 2x0s n GLY 422 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x0s s LEU 423 N 0.00 4.24 -0.13 0.99 1.02 0.60 -4.89 118.68 120.50 2x0s s LEU 423 Ca 0.00 0.73 -0.05 0.00 0.02 0.00 0.00 54.13 54.83 2x0s s LEU 423 Cb 0.00 -3.42 -0.16 0.00 0.02 0.00 0.00 46.19 42.63 2x0s s LEU 423 CO 0.00 0.02 3.30 0.00 0.02 0.00 0.00 176.35 179.69 2x0s n ALA 424 N 0.07 6.29 -0.33 4.21 0.00 -1.26 -3.06 120.51 126.42 2x0s n ALA 424 Ca -0.02 -2.09 0.10 0.00 0.00 0.00 0.00 53.44 51.43 2x0s n ALA 424 Cb 0.52 -2.20 0.28 0.00 0.00 0.00 0.00 19.45 18.04 2x0s n ALA 424 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x0s h ALA 425 N 2.89 1.48 -3.16 0.00 0.00 -1.82 -3.40 119.26 115.26 2x0s h ALA 425 Ca 0.24 0.09 -0.26 0.00 0.00 0.00 0.00 54.91 54.98 2x0s h ALA 425 Cb 1.27 -0.04 -0.33 0.00 0.00 0.00 0.00 17.79 18.69 2x0s h ALA 425 CO 0.41 -0.09 -0.61 0.45 0.00 0.00 0.00 179.25 179.41 2x0s s SER 426 N -5.40 0.27 0.59 0.00 0.15 -0.99 -4.76 113.70 103.55 2x0s s SER 426 Ca -0.12 0.34 -0.18 0.00 0.70 0.00 0.00 55.95 56.69 2x0s s SER 426 Cb 0.24 0.26 -0.06 0.00 -1.71 0.00 0.00 66.02 64.74 2x0s s SER 426 CO 0.79 -0.19 0.83 -0.81 1.20 0.00 0.00 173.24 175.06 2x0s n PRO 427 N 4.74 0.78 0.00 5.44 -0.04 -1.26 -1.09 135.00 143.57 2x0s n PRO 427 Ca -0.16 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2x0s n PRO 427 Cb 0.51 -2.02 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 2x0s n PRO 427 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2x0s n GLY 428 N 1.44 0.66 3.23 0.55 0.00 -1.26 -3.05 105.19 106.75 2x0s n GLY 428 Ca 0.13 -2.27 -0.13 0.00 0.00 0.00 0.00 46.02 43.75 2x0s n GLY 428 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x0s s ALA 429 N -1.36 -0.82 -0.03 4.61 0.00 -1.10 0.53 121.76 123.59 2x0s s ALA 429 Ca 0.00 0.78 -0.01 0.00 0.00 0.00 0.00 51.96 52.74 2x0s s ALA 429 Cb 0.00 -0.39 0.03 0.00 0.00 0.00 0.00 23.12 22.76 2x0s s ALA 429 CO 0.00 -0.19 0.06 0.00 0.00 0.00 0.00 175.76 175.63 2x0s s ALA 430 N -0.23 -0.02 0.28 0.00 0.00 -1.00 -4.71 121.76 116.08 2x0s s ALA 430 Ca -0.04 0.39 0.05 0.00 0.00 0.00 0.00 51.96 52.36 2x0s s ALA 430 Cb -0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 2x0s s ALA 430 CO 0.01 -0.12 0.41 0.08 0.00 0.00 0.00 175.76 176.15 2x0s s VAL 431 N 1.02 5.00 0.00 0.00 1.01 -1.26 -2.29 120.40 123.88 2x0s s VAL 431 Ca -0.08 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 60.98 2x0s s VAL 431 Cb -0.12 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.49 2x0s s VAL 431 CO -0.04 -0.33 0.00 0.61 0.00 0.00 0.00 175.10 175.35 2x0s n GLY 432 N -1.51 3.95 3.78 4.51 0.00 -1.09 -4.55 105.19 110.27 2x0s n GLY 432 Ca -0.07 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 2x0s n GLY 432 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2x0s s GLN 433 N -2.51 3.35 0.36 1.61 -0.21 -0.82 -1.90 119.66 119.54 2x0s s GLN 433 Ca 0.00 1.57 0.04 0.00 0.02 0.00 0.00 55.36 56.99 2x0s s GLN 433 Cb 0.00 -2.01 -0.01 0.00 1.00 0.00 0.00 33.01 31.99 2x0s s GLN 433 CO 0.00 -0.84 0.52 0.14 -2.12 0.00 0.00 175.29 172.99 2x0s s VAL 434 N -1.84 4.20 0.07 1.09 -7.23 -1.11 -0.80 120.40 114.78 2x0s s VAL 434 Ca 0.72 -0.82 -0.23 0.00 -1.81 0.00 0.00 61.98 59.84 2x0s s VAL 434 Cb -0.23 -3.49 0.06 0.00 0.56 0.00 0.00 36.38 33.28 2x0s s VAL 434 CO 0.28 -0.24 0.54 0.68 -0.31 0.00 0.00 175.10 176.04 2x0s s VAL 435 N -2.28 0.02 -0.15 1.32 -7.23 -0.80 -4.15 120.40 107.14 2x0s s VAL 435 Ca 0.45 -0.20 0.06 0.00 -1.81 0.00 0.00 61.98 60.48 2x0s s VAL 435 Cb -0.10 -1.01 0.13 0.00 0.56 0.00 0.00 36.38 35.96 2x0s s VAL 435 CO 0.33 -0.11 1.08 0.49 -0.31 0.00 0.00 175.10 176.59 2x0s n PHE 436 N 0.18 0.10 -3.64 2.82 3.01 -1.26 -2.56 117.46 116.12 2x0s n PHE 436 Ca -0.18 -0.63 -0.08 0.00 1.01 0.00 0.00 57.45 57.57 2x0s n PHE 436 Cb 0.62 -0.08 -0.02 0.00 -0.01 0.00 0.00 39.48 39.99 2x0s n PHE 436 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 2x0s s ASP 437 N -1.47 -0.34 0.33 4.37 -4.77 -1.26 -4.82 116.67 108.70 2x0s s ASP 437 Ca 0.12 -0.26 0.11 0.00 -3.30 0.00 0.00 52.55 49.22 2x0s s ASP 437 Cb 0.09 0.55 0.97 0.00 -1.09 0.00 0.00 42.92 43.45 2x0s s ASP 437 CO 0.03 -0.97 1.69 0.00 0.70 0.00 0.00 175.17 176.62 2x0s h ALA 438 N 2.00 1.82 0.03 2.11 0.00 -1.89 -0.56 119.26 122.77 2x0s h ALA 438 Ca -0.25 0.17 -0.23 0.00 0.00 0.00 0.00 54.91 54.60 2x0s h ALA 438 Cb 1.26 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 2x0s h ALA 438 CO 0.29 -0.45 -1.10 0.93 0.00 0.00 0.00 179.25 178.93 2x0s h GLU 439 N 0.41 0.06 0.06 0.00 3.07 -1.95 -0.30 114.58 115.93 2x0s h GLU 439 Ca 0.68 -0.10 0.01 0.00 -0.50 0.00 0.00 59.36 59.44 2x0s h GLU 439 Cb 1.44 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 29.37 2x0s h GLU 439 CO -0.56 1.02 -0.30 0.77 -1.40 0.00 0.00 179.01 178.54 2x0s h SER 440 N 0.02 -0.90 0.09 1.42 0.02 -1.49 -2.94 113.55 109.76 2x0s h SER 440 Ca -0.05 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 2x0s h SER 440 Cb 1.83 0.33 -0.01 0.00 0.14 0.00 0.00 62.40 64.69 2x0s h SER 440 CO 0.14 -0.31 -0.15 0.00 -1.14 0.00 0.00 176.83 175.37 2x0s h ALA 441 N -0.98 1.59 0.00 3.77 0.00 -1.50 -0.85 119.26 121.29 2x0s h ALA 441 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2x0s h ALA 441 Cb 0.43 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2x0s h ALA 441 CO -0.16 0.30 0.30 0.87 0.00 0.00 0.00 179.25 180.56 2x0s h LYS 442 N 0.13 0.00 0.00 0.00 1.79 -0.88 -3.19 116.57 114.42 2x0s h LYS 442 Ca 0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2x0s h LYS 442 Cb 0.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 2x0s h LYS 442 CO 0.02 0.00 -0.62 -1.91 -1.08 0.00 0.00 179.45 175.86 2x0s n GLU 443 N -2.76 0.33 0.15 3.15 2.13 -0.34 -4.58 120.64 118.71 2x0s n GLU 443 Ca -0.02 0.13 0.19 0.00 0.66 0.00 0.00 57.16 58.12 2x0s n GLU 443 Cb 0.34 -1.05 0.73 0.00 0.27 0.00 0.00 31.44 31.73 2x0s n GLU 443 CO 0.00 0.00 0.00 -1.49 -0.41 0.00 0.00 177.13 175.23 2x0s h TRP 444 N -0.62 0.00 -3.30 4.31 4.06 -1.57 -3.17 115.95 115.66 2x0s h TRP 444 Ca 0.00 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.39 2x0s h TRP 444 Cb 0.62 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.72 2x0s h TRP 444 CO -0.27 0.00 1.04 -1.54 -3.56 0.00 0.00 178.44 174.12 2x0s s SER 445 N -4.88 6.36 0.00 -3.49 1.04 -1.21 -2.37 113.70 109.15 2x0s s SER 445 Ca -0.04 0.63 0.00 0.00 0.48 0.00 0.00 55.95 57.02 2x0s s SER 445 Cb 0.13 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.71 2x0s s SER 445 CO 0.45 -1.45 0.00 0.61 0.98 0.00 0.00 173.24 173.84 2x0s n GLY 446 N 5.07 1.30 0.75 7.32 0.00 -1.20 -4.88 105.19 113.55 2x0s n GLY 446 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 2x0s n GLY 446 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2x0s n ARG 447 N 0.00 2.00 -0.36 1.61 0.63 -1.07 -4.89 116.66 114.58 2x0s n ARG 447 Ca 0.00 -1.50 0.00 0.00 -0.92 0.00 0.00 57.85 55.43 2x0s n ARG 447 Cb 0.00 -1.45 0.00 0.00 0.45 0.00 0.00 32.46 31.46 2x0s n ARG 447 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2x0s n GLY 448 N 1.27 1.01 3.74 5.14 0.00 -1.25 -5.03 105.19 110.06 2x0s n GLY 448 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2x0s n GLY 448 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x0s s LYS 449 N -0.48 4.44 -0.06 1.61 1.02 -1.00 -5.04 119.74 120.24 2x0s s LYS 449 Ca 0.00 0.93 -0.14 0.00 0.02 0.00 0.00 55.97 56.78 2x0s s LYS 449 Cb 0.00 -3.39 -0.05 0.00 -0.52 0.00 0.00 37.83 33.86 2x0s s LYS 449 CO 0.00 0.21 0.37 0.15 -0.92 0.00 0.00 175.35 175.16 2x0s s LYS 450 N 0.28 4.00 -0.03 1.68 1.02 -1.26 -3.51 119.74 121.91 2x0s s LYS 450 Ca 0.37 0.31 0.05 0.00 0.02 0.00 0.00 55.97 56.72 2x0s s LYS 450 Cb -0.19 -3.29 -0.01 0.00 -0.52 0.00 0.00 37.83 33.83 2x0s s LYS 450 CO 0.20 0.54 -0.17 0.08 -0.92 0.00 0.00 175.35 175.08 2x0s s VAL 451 N -0.55 1.38 -0.18 3.17 1.01 -1.26 -1.95 120.40 122.02 2x0s s VAL 451 Ca 0.22 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.39 2x0s s VAL 451 Cb -0.15 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 2x0s s VAL 451 CO 0.10 0.40 0.13 -0.63 0.00 0.00 0.00 175.10 175.10 2x0s s ILE 452 N -0.15 5.40 -0.17 2.22 -1.09 0.02 0.61 121.20 128.03 2x0s s ILE 452 Ca 0.01 0.18 -0.06 0.00 -2.23 0.00 0.00 60.65 58.54 2x0s s ILE 452 Cb -0.09 -3.43 -0.04 0.00 -1.58 0.00 0.00 42.46 37.32 2x0s s ILE 452 CO 0.01 0.49 0.04 -0.32 -1.23 0.00 0.00 174.94 173.93 2x0s s MET 453 N -0.02 3.84 -0.16 2.79 -2.45 -0.44 -1.90 119.30 120.96 2x0s s MET 453 Ca 0.10 -0.37 0.01 0.00 -1.25 0.00 0.00 55.69 54.18 2x0s s MET 453 Cb -0.11 -3.14 0.02 0.00 1.25 0.00 0.00 34.83 32.85 2x0s s MET 453 CO -0.00 0.32 -0.18 0.14 1.05 0.00 0.00 175.02 176.35 2x0s s VAL 454 N 0.22 1.86 0.02 10.11 -7.23 -1.06 -0.99 120.40 123.33 2x0s s VAL 454 Ca 0.03 -0.82 0.01 0.00 -1.81 0.00 0.00 61.98 59.39 2x0s s VAL 454 Cb -0.13 -1.70 -0.01 0.00 0.56 0.00 0.00 36.38 35.10 2x0s s VAL 454 CO 0.01 0.51 -0.04 -0.13 -0.31 0.00 0.00 175.10 175.13 2x0s s ARG 455 N 1.33 0.34 0.09 4.82 1.81 -1.18 -4.55 118.95 121.62 2x0s s ARG 455 Ca 0.04 -0.45 -0.31 0.00 -1.72 0.00 0.00 55.73 53.30 2x0s s ARG 455 Cb -0.13 -0.15 -0.13 0.00 -0.45 0.00 0.00 34.95 34.09 2x0s s ARG 455 CO -0.11 0.03 1.49 1.25 -0.68 0.00 0.00 175.30 177.27 2x0s h LEU 456 N 5.19 -1.38 -8.10 2.53 6.46 -1.95 -2.82 115.31 115.24 2x0s h LEU 456 Ca -0.31 0.14 -0.23 0.00 -0.12 0.00 0.00 57.88 57.37 2x0s h LEU 456 Cb 1.20 0.50 -0.21 0.00 -0.73 0.00 0.00 40.66 41.43 2x0s h LEU 456 CO 0.45 -0.50 -0.72 -1.83 -0.62 0.00 0.00 178.44 175.22 2x0s s GLU 457 N -5.43 0.45 0.33 1.25 -1.05 -1.26 -1.20 118.70 111.79 2x0s s GLU 457 Ca -0.14 -0.72 0.05 0.00 -0.15 0.00 0.00 54.97 54.00 2x0s s GLU 457 Cb 0.05 -0.12 0.06 0.00 -0.44 0.00 0.00 34.13 33.68 2x0s s GLU 457 CO 0.53 0.01 0.45 0.25 0.95 0.00 0.00 175.26 177.45 2x0s n THR 458 N 1.45 0.00 -3.59 1.83 -2.24 -1.26 -5.06 114.28 105.41 2x0s n THR 458 Ca -0.23 -1.04 0.02 0.00 -2.27 0.00 0.00 64.05 60.54 2x0s n THR 458 Cb 0.55 -0.78 -0.00 0.00 -2.10 0.00 0.00 70.33 68.00 2x0s n THR 458 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2x0s s SER 459 N -2.99 -0.04 0.00 3.42 1.04 -1.26 -4.81 113.70 109.06 2x0s s SER 459 Ca 0.34 -0.07 0.04 0.00 0.48 0.00 0.00 55.95 56.74 2x0s s SER 459 Cb -0.03 0.09 0.24 0.00 0.10 0.00 0.00 66.02 66.42 2x0s s SER 459 CO 0.21 -0.16 0.59 -0.81 0.98 0.00 0.00 173.24 174.05 2x0s n PRO 460 N -0.45 0.29 0.00 4.02 -0.04 -1.26 0.55 135.00 138.11 2x0s n PRO 460 Ca -0.08 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.42 2x0s n PRO 460 Cb 0.63 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 2x0s n PRO 460 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2x0s n GLU 461 N -0.71 2.04 -0.57 0.54 0.00 -1.26 -4.22 120.64 116.46 2x0s n GLU 461 Ca 0.03 -0.56 0.05 0.00 0.00 0.00 0.00 57.16 56.68 2x0s n GLU 461 Cb 0.01 -1.01 0.27 0.00 0.00 0.00 0.00 31.44 30.71 2x0s n GLU 461 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2x0s n ASP 462 N -0.24 4.03 0.01 -1.84 9.92 0.19 -4.68 116.55 123.94 2x0s n ASP 462 Ca 0.03 -2.55 -0.19 0.00 -0.53 0.00 0.00 54.79 51.55 2x0s n ASP 462 Cb 0.16 -0.59 -0.14 0.00 -0.64 0.00 0.00 41.12 39.91 2x0s n ASP 462 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2x0s h LEU 463 N 2.74 0.33 -0.74 0.64 5.85 -1.73 -2.57 115.31 119.83 2x0s h LEU 463 Ca 0.00 -0.90 0.04 0.00 0.84 0.00 0.00 57.88 57.86 2x0s h LEU 463 Cb 1.40 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.28 2x0s h LEU 463 CO 0.29 1.39 0.46 0.00 -0.34 0.00 0.00 178.44 180.25 2x0s h ALA 464 N -0.01 0.98 0.00 1.25 0.00 -1.89 -0.66 119.26 118.93 2x0s h ALA 464 Ca -0.18 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2x0s h ALA 464 Cb 1.54 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2x0s h ALA 464 CO 0.07 0.23 -0.24 0.78 0.00 0.00 0.00 179.25 180.10 2x0s h GLY 465 N 0.89 0.00 0.96 0.00 0.00 -1.71 -3.21 103.07 99.99 2x0s h GLY 465 Ca 0.31 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.64 2x0s h GLY 465 CO -0.13 0.00 0.07 -0.33 0.00 0.00 0.00 176.54 176.16 2x0s h MET 466 N 0.00 0.15 -0.09 4.80 2.07 -0.68 -1.55 114.93 119.64 2x0s h MET 466 Ca -0.00 -0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 2x0s h MET 466 Cb 0.89 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 30.58 2x0s h MET 466 CO 0.03 0.10 0.00 -0.40 1.07 0.00 0.00 176.91 177.71 2x0s n ASP 467 N -5.02 0.81 -0.10 1.22 5.75 -1.12 -3.56 116.55 114.53 2x0s n ASP 467 Ca -0.04 -1.59 -0.18 0.00 -0.01 0.00 0.00 54.79 52.97 2x0s n ASP 467 Cb 0.04 -0.05 -0.09 0.00 -1.03 0.00 0.00 41.12 39.98 2x0s n ASP 467 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2x0s h ALA 468 N 3.78 0.20 -2.72 2.12 0.00 -1.43 -3.48 119.26 117.73 2x0s h ALA 468 Ca 0.00 -1.03 -0.55 0.00 0.00 0.00 0.00 54.91 53.32 2x0s h ALA 468 Cb 0.24 0.67 0.10 0.00 0.00 0.00 0.00 17.79 18.80 2x0s h ALA 468 CO 0.00 0.64 0.68 0.00 0.00 0.00 0.00 179.25 180.57 2x0s n ALA 469 N -3.45 1.91 0.26 0.00 0.00 -0.63 -4.85 120.51 113.75 2x0s n ALA 469 Ca -0.26 0.36 0.15 0.00 0.00 0.00 0.00 53.44 53.69 2x0s n ALA 469 Cb 0.58 -2.35 0.63 0.00 0.00 0.00 0.00 19.45 18.30 2x0s n ALA 469 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x0s s GLY 471 N -4.21 0.02 -0.01 0.00 0.00 -1.13 -4.60 107.32 97.38 2x0s s GLY 471 Ca 0.01 -0.39 0.03 0.00 0.00 0.00 0.00 44.72 44.37 2x0s s GLY 471 CO 0.57 -0.51 -0.10 -0.42 0.00 0.00 0.00 173.10 172.64 2x0s s ILE 472 N -3.87 0.80 -0.18 0.90 1.01 -1.19 -1.33 121.20 117.33 2x0s s ILE 472 Ca 0.08 -0.43 -0.05 0.00 0.00 0.00 0.00 60.65 60.26 2x0s s ILE 472 Cb 0.02 -0.67 0.07 0.00 0.01 0.00 0.00 42.46 41.89 2x0s s ILE 472 CO -0.07 0.23 0.13 -0.22 0.00 0.00 0.00 174.94 175.01 2x0s s LEU 473 N -0.22 0.20 0.27 2.97 0.20 -0.17 -2.27 118.68 119.67 2x0s s LEU 473 Ca 0.04 -0.49 0.07 0.00 0.69 0.00 0.00 54.13 54.44 2x0s s LEU 473 Cb -0.04 -0.05 -0.04 0.00 -0.43 0.00 0.00 46.19 45.64 2x0s s LEU 473 CO -0.00 -0.34 0.19 0.42 -0.29 0.00 0.00 176.35 176.32 2x0s s THR 474 N 2.20 4.14 0.05 3.68 -4.23 -0.86 -3.08 115.64 117.53 2x0s s THR 474 Ca 0.04 -1.46 0.03 0.00 -1.18 0.00 0.00 61.69 59.11 2x0s s THR 474 Cb -0.16 -3.29 -0.25 0.00 1.34 0.00 0.00 72.50 70.14 2x0s s THR 474 CO -0.10 -0.32 1.04 0.00 -0.54 0.00 0.00 174.62 174.70 2x0s h ALA 475 N 1.49 0.34 -2.63 3.99 0.00 -0.88 -2.58 119.26 118.99 2x0s h ALA 475 Ca -0.47 -1.05 -0.15 0.00 0.00 0.00 0.00 54.91 53.24 2x0s h ALA 475 Cb 1.24 0.10 -0.18 0.00 0.00 0.00 0.00 17.79 18.95 2x0s h ALA 475 CO 0.60 1.22 -0.69 -0.98 0.00 0.00 0.00 179.25 179.40 2x0s s ARG 476 N -2.66 0.47 0.00 0.00 1.70 -0.59 -2.41 118.95 115.46 2x0s s ARG 476 Ca -0.04 -0.91 0.00 0.00 -0.47 0.00 0.00 55.73 54.31 2x0s s ARG 476 Cb 0.08 0.13 0.00 0.00 -0.57 0.00 0.00 34.95 34.59 2x0s s ARG 476 CO 0.84 -0.07 0.00 0.41 -1.08 0.00 0.00 175.30 175.40 2x0s n GLY 477 N 0.88 4.43 0.00 3.88 0.00 -1.26 -3.85 105.19 109.27 2x0s n GLY 477 Ca -0.19 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.82 2x0s n GLY 477 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x0s n GLY 478 N -0.88 -0.99 0.26 -0.02 0.00 -1.26 -2.71 105.19 99.58 2x0s n GLY 478 Ca 0.00 -1.60 0.16 0.00 0.00 0.00 0.00 46.02 44.59 2x0s n GLY 478 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2x0s h MET 479 N 0.00 0.00 -0.02 1.61 4.05 -1.96 -1.26 114.93 117.36 2x0s h MET 479 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2x0s h MET 479 Cb 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 2x0s h MET 479 CO 0.00 0.00 -0.09 -2.37 0.23 0.00 0.00 176.91 174.68 2x0s n THR 480 N -3.04 0.00 -1.45 -0.77 5.66 -1.26 -4.33 114.28 109.09 2x0s n THR 480 Ca 0.01 -0.31 -0.51 0.00 -3.05 0.00 0.00 64.05 60.20 2x0s n THR 480 Cb 0.33 0.87 -0.04 0.00 -1.55 0.00 0.00 70.33 69.93 2x0s n THR 480 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2x0s n SER 481 N 0.38 -0.54 -0.11 1.09 2.88 -0.48 -4.67 113.62 112.16 2x0s n SER 481 Ca 0.15 1.14 -0.11 0.00 -1.33 0.00 0.00 58.87 58.72 2x0s n SER 481 Cb 0.44 -0.99 -0.08 0.00 -0.75 0.00 0.00 64.21 62.83 2x0s n SER 481 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 2x0s h HIS 482 N 1.80 -1.39 -0.86 0.66 6.17 -1.89 -1.17 115.15 118.48 2x0s h HIS 482 Ca -0.36 0.07 0.18 0.00 0.71 0.00 0.00 60.37 60.97 2x0s h HIS 482 Cb 1.42 0.65 -0.16 0.00 2.52 0.00 0.00 27.41 31.84 2x0s h HIS 482 CO 0.47 -0.40 -0.17 0.00 0.71 0.00 0.00 177.93 178.55 2x0s h ALA 483 N -0.28 0.64 0.05 5.26 0.00 -1.89 -1.35 119.26 121.69 2x0s h ALA 483 Ca 0.06 0.33 0.01 0.00 0.00 0.00 0.00 54.91 55.30 2x0s h ALA 483 Cb 0.48 0.62 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2x0s h ALA 483 CO -0.49 -0.42 -0.36 0.00 0.00 0.00 0.00 179.25 177.99 2x0s h ALA 484 N 1.85 -0.84 -0.28 0.00 0.00 -1.56 -0.34 119.26 118.09 2x0s h ALA 484 Ca 0.43 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.30 2x0s h ALA 484 Cb 0.69 0.78 -0.04 0.00 0.00 0.00 0.00 17.79 19.21 2x0s h ALA 484 CO -0.86 -0.93 -0.28 0.28 0.00 0.00 0.00 179.25 177.46 2x0s h VAL 485 N -0.49 0.00 -0.06 0.00 2.07 -0.20 -2.57 116.25 115.01 2x0s h VAL 485 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2x0s h VAL 485 Cb 0.50 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2x0s h VAL 485 CO -0.21 0.00 -0.07 0.58 0.02 0.00 0.00 177.57 177.88 2x0s h VAL 486 N -0.14 1.09 -0.70 2.57 2.07 -1.24 -1.02 116.25 118.87 2x0s h VAL 486 Ca 0.05 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 2x0s h VAL 486 Cb 0.27 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 2x0s h VAL 486 CO -0.34 0.12 0.40 0.00 0.02 0.00 0.00 177.57 177.77 2x0s h ALA 487 N 1.85 0.90 0.00 1.67 0.00 -0.66 -1.16 119.26 121.86 2x0s h ALA 487 Ca 0.02 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2x0s h ALA 487 Cb 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2x0s h ALA 487 CO 0.01 0.41 -0.31 0.00 0.00 0.00 0.00 179.25 179.36 2x0s h ARG 488 N 0.97 0.00 0.00 0.00 3.08 -0.93 0.66 114.38 118.15 2x0s h ARG 488 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2x0s h ARG 488 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2x0s h ARG 488 CO -0.04 0.31 0.00 0.78 -1.07 0.00 0.00 179.97 179.94 2x0s h GLY 489 N 2.30 0.00 0.00 0.04 0.00 -0.31 -3.09 103.07 102.00 2x0s h GLY 489 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2x0s h GLY 489 CO 0.04 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.61 2x0s n MET 490 N -2.76 0.22 -2.91 4.80 2.81 -0.75 -5.01 117.12 113.52 2x0s n MET 490 Ca -0.01 -0.46 -0.21 0.00 -1.81 0.00 0.00 57.70 55.21 2x0s n MET 490 Cb 0.13 -0.69 0.01 0.00 -0.71 0.00 0.00 33.22 31.96 2x0s n MET 490 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2x0s n GLY 491 N -0.07 -0.51 3.51 3.03 0.00 0.21 -4.93 105.19 106.43 2x0s n GLY 491 Ca 0.00 0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 2x0s n GLY 491 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x0s s LYS 492 N -5.56 3.23 0.09 1.61 2.20 0.20 -4.92 119.74 116.58 2x0s s LYS 492 Ca 0.23 -0.48 -0.36 0.00 -0.36 0.00 0.00 55.97 55.01 2x0s s LYS 492 Cb -0.11 -3.96 -0.18 0.00 -1.51 0.00 0.00 37.83 32.07 2x0s s LYS 492 CO 0.28 -0.97 1.00 0.00 -0.36 0.00 0.00 175.35 175.30 2x0s s VAL 495 N -0.54 1.51 0.30 0.00 1.01 -0.96 -2.36 120.40 119.36 2x0s s VAL 495 Ca -0.06 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2x0s s VAL 495 Cb -0.04 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 2x0s s VAL 495 CO 0.01 0.44 0.06 -1.54 0.00 0.00 0.00 175.10 174.07 2x0s n SER 496 N 4.17 1.88 -2.87 3.32 3.41 -1.17 -2.03 113.62 120.32 2x0s n SER 496 Ca -0.19 -2.45 -0.16 0.00 -0.26 0.00 0.00 58.87 55.81 2x0s n SER 496 Cb 0.51 0.50 -0.01 0.00 -0.26 0.00 0.00 64.21 64.95 2x0s n SER 496 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x0s n GLY 497 N 0.58 -0.49 3.48 5.00 0.00 -1.10 -0.29 105.19 112.37 2x0s n GLY 497 Ca -0.08 0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 2x0s n GLY 497 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x0s n GLY 499 N 5.83 -1.10 0.12 0.00 0.00 -1.01 -3.04 105.19 105.99 2x0s n GLY 499 Ca 0.21 -0.18 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 2x0s n GLY 499 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2x0s h ASP 500 N 0.08 0.09 -2.56 1.61 3.32 -1.88 -3.44 116.42 113.63 2x0s h ASP 500 Ca 0.00 -0.07 -0.54 0.00 0.02 0.00 0.00 57.03 56.44 2x0s h ASP 500 Cb 0.15 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 39.68 2x0s h ASP 500 CO 0.00 0.82 1.11 -0.32 -1.72 0.00 0.00 179.24 179.13 2x0s s MET 501 N -3.32 4.17 -0.23 3.56 -2.45 -1.17 -4.44 119.30 115.43 2x0s s MET 501 Ca -0.01 2.36 -0.06 0.00 -1.25 0.00 0.00 55.69 56.73 2x0s s MET 501 Cb 0.11 -3.92 -0.02 0.00 1.25 0.00 0.00 34.83 32.25 2x0s s MET 501 CO 0.80 -0.85 0.03 0.14 1.05 0.00 0.00 175.02 176.18 2x0s s VAL 502 N 3.75 4.00 -0.08 10.11 -7.23 -1.10 -4.95 120.40 124.91 2x0s s VAL 502 Ca 0.78 -0.28 -0.04 0.00 -1.81 0.00 0.00 61.98 60.63 2x0s s VAL 502 Cb -0.38 -2.85 -0.04 0.00 0.56 0.00 0.00 36.38 33.67 2x0s s VAL 502 CO 0.34 0.38 0.08 -0.63 -0.31 0.00 0.00 175.10 174.96 2x0s s ILE 503 N 1.44 4.94 0.00 -0.62 1.01 -1.26 -0.97 121.20 125.75 2x0s s ILE 503 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.62 2x0s s ILE 503 Cb -0.15 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.17 2x0s s ILE 503 CO 0.01 0.55 0.00 0.54 0.00 0.00 0.00 174.94 176.05 2x0s n ARG 504 N 1.84 0.00 0.00 2.79 1.74 -1.13 -5.01 116.66 116.89 2x0s n ARG 504 Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 2x0s n ARG 504 Cb 0.54 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.98 2x0s n ARG 504 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2x0s n GLY 505 N 2.37 1.71 1.85 -0.13 0.00 -1.26 -4.85 105.19 104.87 2x0s n GLY 505 Ca 0.00 -1.53 -0.05 0.00 0.00 0.00 0.00 46.02 44.44 2x0s n GLY 505 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2x0s n LYS 506 N 0.00 1.28 -4.19 1.61 5.02 -1.26 -4.77 118.16 115.85 2x0s n LYS 506 Ca 0.00 -0.44 -0.12 0.00 -2.02 0.00 0.00 58.31 55.73 2x0s n LYS 506 Cb 0.00 -1.52 -0.10 0.00 -0.02 0.00 0.00 35.03 33.39 2x0s n LYS 506 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2x0s s SER 507 N 2.09 0.15 -0.19 4.39 1.04 -1.26 -4.47 113.70 115.45 2x0s s SER 507 Ca 0.30 -1.36 -0.28 0.00 0.48 0.00 0.00 55.95 55.08 2x0s s SER 507 Cb 0.14 0.38 0.12 0.00 0.10 0.00 0.00 66.02 66.76 2x0s s SER 507 CO 0.00 -0.84 0.97 0.72 0.98 0.00 0.00 173.24 175.07 2x0s s PHE 508 N -4.15 -0.45 -0.33 5.02 -0.12 -1.03 -2.85 117.98 114.08 2x0s s PHE 508 Ca 0.38 0.89 -0.08 0.00 -0.05 0.00 0.00 56.93 58.06 2x0s s PHE 508 Cb 0.07 0.41 0.02 0.00 -0.63 0.00 0.00 43.02 42.89 2x0s s PHE 508 CO 0.11 -0.33 0.13 0.21 -0.05 0.00 0.00 175.22 175.29 2x0s s LYS 509 N -0.64 2.88 -0.53 1.99 2.20 -0.14 -1.93 119.74 123.58 2x0s s LYS 509 Ca -0.01 -1.02 -0.18 0.00 -0.36 0.00 0.00 55.97 54.41 2x0s s LYS 509 Cb -0.02 -3.53 0.08 0.00 -1.51 0.00 0.00 37.83 32.85 2x0s s LYS 509 CO -0.00 -0.59 0.57 -1.17 -0.36 0.00 0.00 175.35 173.80 2x0s s LEU 510 N 1.50 5.40 0.00 5.43 1.98 0.55 -2.70 118.68 130.84 2x0s s LEU 510 Ca 0.01 -1.27 0.00 0.00 -2.89 0.00 0.00 54.13 49.98 2x0s s LEU 510 Cb -0.19 -2.31 0.00 0.00 0.66 0.00 0.00 46.19 44.35 2x0s s LEU 510 CO 0.04 -0.89 0.00 0.59 -1.89 0.00 0.00 176.35 174.20 2x0s n ASN 511 N 5.86 0.00 0.00 3.68 3.02 -1.26 -1.72 115.26 124.83 2x0s n ASN 511 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 2x0s n ASN 511 Cb 0.43 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 2x0s n ASN 511 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x0s n GLY 512 N 0.21 1.92 3.89 7.41 0.00 -1.26 -4.94 105.19 112.41 2x0s n GLY 512 Ca 0.00 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 2x0s n GLY 512 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2x0s s SER 513 N -2.06 6.55 0.10 1.61 0.15 -0.70 -5.11 113.70 114.24 2x0s s SER 513 Ca 0.00 0.74 0.07 0.00 0.70 0.00 0.00 55.95 57.46 2x0s s SER 513 Cb 0.00 -2.15 -0.04 0.00 -1.71 0.00 0.00 66.02 62.12 2x0s s SER 513 CO 0.00 0.01 -0.13 -0.69 1.20 0.00 0.00 173.24 173.63 2x0s s VAL 514 N -1.71 3.17 0.05 4.45 1.01 -1.26 -0.33 120.40 125.78 2x0s s VAL 514 Ca 0.43 -1.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 2x0s s VAL 514 Cb -0.12 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 2x0s s VAL 514 CO 0.23 0.15 -0.00 -0.36 0.00 0.00 0.00 175.10 175.11 2x0s s PHE 515 N -1.15 0.43 -0.29 5.22 0.08 -0.81 -4.98 117.98 116.47 2x0s s PHE 515 Ca 0.19 -0.90 -0.15 0.00 0.12 0.00 0.00 56.93 56.19 2x0s s PHE 515 Cb -0.11 -0.31 0.13 0.00 -0.57 0.00 0.00 43.02 42.16 2x0s s PHE 515 CO 0.11 -0.36 0.88 -0.98 -0.10 0.00 0.00 175.22 174.77 2x0s s ARG 516 N -3.43 0.46 0.00 0.44 1.70 -1.26 -2.45 118.95 114.41 2x0s s ARG 516 Ca 0.02 0.87 0.00 0.00 -0.47 0.00 0.00 55.73 56.15 2x0s s ARG 516 Cb 0.04 0.20 0.00 0.00 -0.57 0.00 0.00 34.95 34.62 2x0s s ARG 516 CO -0.08 -0.11 0.00 0.39 -1.08 0.00 0.00 175.30 174.42 2x0s n GLU 517 N 4.16 -0.22 0.00 3.89 4.71 -1.26 -4.84 120.64 127.08 2x0s n GLU 517 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.98 2x0s n GLU 517 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.00 2x0s n GLU 517 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2x0s n GLY 518 N 0.00 -1.36 3.36 0.62 0.00 -1.26 -4.19 105.19 102.36 2x0s n GLY 518 Ca 0.00 -1.56 -0.36 0.00 0.00 0.00 0.00 46.02 44.11 2x0s n GLY 518 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2x0s s ASP 519 N -1.19 4.68 0.53 1.61 1.01 -1.26 -2.77 116.67 119.29 2x0s s ASP 519 Ca 0.00 -0.36 0.04 0.00 0.71 0.00 0.00 52.55 52.94 2x0s s ASP 519 Cb 0.00 -1.82 0.02 0.00 1.01 0.00 0.00 42.92 42.13 2x0s s ASP 519 CO 0.00 -0.04 0.26 -0.31 0.21 0.00 0.00 175.17 175.29 2x0s s TYR 520 N 1.53 1.71 0.03 4.23 1.51 -0.80 -3.84 117.35 121.72 2x0s s TYR 520 Ca 0.06 -0.88 -0.18 0.00 -1.01 0.00 0.00 57.07 55.06 2x0s s TYR 520 Cb -0.15 -1.81 0.03 0.00 -0.11 0.00 0.00 41.96 39.93 2x0s s TYR 520 CO -0.00 -0.23 0.40 0.96 -1.11 0.00 0.00 175.55 175.56 2x0s s ILE 521 N -2.81 0.06 0.29 2.71 -4.36 -1.22 -2.67 121.20 113.20 2x0s s ILE 521 Ca 0.24 -0.46 0.03 0.00 -0.26 0.00 0.00 60.65 60.20 2x0s s ILE 521 Cb -0.01 -0.90 -0.06 0.00 1.25 0.00 0.00 42.46 42.75 2x0s s ILE 521 CO 0.15 -0.26 0.06 0.42 0.24 0.00 0.00 174.94 175.55 2x0s s THR 522 N -2.21 1.01 0.17 8.37 -4.23 -0.97 0.31 115.64 118.09 2x0s s THR 522 Ca -0.07 -2.01 -0.10 0.00 -1.18 0.00 0.00 61.69 58.33 2x0s s THR 522 Cb -0.02 -2.69 -0.00 0.00 1.34 0.00 0.00 72.50 71.14 2x0s s THR 522 CO -0.01 -0.05 0.32 -0.51 -0.54 0.00 0.00 174.62 173.84 2x0s s ILE 523 N -3.43 0.06 -0.84 2.99 2.07 -1.22 -2.37 121.20 118.45 2x0s s ILE 523 Ca 0.36 -1.30 0.22 0.00 -1.41 0.00 0.00 60.65 58.51 2x0s s ILE 523 Cb 0.08 -1.82 0.20 0.00 0.13 0.00 0.00 42.46 41.05 2x0s s ILE 523 CO 0.14 -0.26 1.68 -0.90 -1.91 0.00 0.00 174.94 173.69 2x0s n ASP 524 N -0.24 0.26 0.19 4.50 5.68 0.19 -1.51 116.55 125.62 2x0s n ASP 524 Ca -0.07 0.55 0.07 0.00 -0.50 0.00 0.00 54.79 54.84 2x0s n ASP 524 Cb 0.63 -0.61 0.27 0.00 -1.14 0.00 0.00 41.12 40.27 2x0s n ASP 524 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2x0s h GLY 525 N 3.33 0.00 0.00 6.12 0.00 -1.92 -3.41 103.07 107.20 2x0s h GLY 525 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2x0s h GLY 525 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 2x0s n SER 526 N -3.31 -0.30 -4.26 0.19 3.41 -0.57 -4.72 113.62 104.06 2x0s n SER 526 Ca 0.01 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.30 2x0s n SER 526 Cb 0.55 -0.13 -0.16 0.00 -0.26 0.00 0.00 64.21 64.21 2x0s n SER 526 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2x0s s LYS 527 N -1.66 3.01 0.20 4.33 -2.85 -1.26 -1.51 119.74 120.01 2x0s s LYS 527 Ca 0.00 -0.85 -0.29 0.00 -1.00 0.00 0.00 55.97 53.83 2x0s s LYS 527 Cb 0.00 -2.33 -0.08 0.00 -2.06 0.00 0.00 37.83 33.36 2x0s s LYS 527 CO 0.00 0.23 0.92 0.20 0.10 0.00 0.00 175.35 176.80 2x0s s GLY 528 N 0.24 3.07 0.00 0.59 0.00 -1.07 -3.43 107.32 106.72 2x0s s GLY 528 Ca -0.15 0.57 0.00 0.00 0.00 0.00 0.00 44.72 45.15 2x0s s GLY 528 CO 0.07 1.20 0.00 1.04 0.00 0.00 0.00 173.10 175.41 2x0s n LEU 529 N 1.76 0.00 -2.60 0.66 4.77 0.15 -2.37 117.00 119.36 2x0s n LEU 529 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2x0s n LEU 529 Cb 0.48 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.61 2x0s n LEU 529 CO 0.50 0.00 0.03 -0.38 -1.33 0.00 0.00 177.39 176.21 2x0s n ILE 530 N 0.00 1.00 0.00 -0.08 5.41 -1.26 -3.45 119.36 120.99 2x0s n ILE 530 Ca 0.00 -2.51 0.00 0.00 1.00 0.00 0.00 62.75 61.24 2x0s n ILE 530 Cb 0.00 1.24 0.00 0.00 -0.71 0.00 0.00 39.64 40.17 2x0s n ILE 530 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2x0s n TYR 531 N -0.46 0.00 -2.74 1.39 4.02 -1.25 -4.66 117.16 113.46 2x0s n TYR 531 Ca 0.06 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.82 2x0s n TYR 531 Cb 0.86 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 40.17 2x0s n TYR 531 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2x0s n ALA 532 N -1.00 -0.92 0.43 -0.72 0.00 -1.26 -4.62 120.51 112.42 2x0s n ALA 532 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2x0s n ALA 532 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 17.91 2x0s n ALA 532 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x0s n GLY 533 N -0.81 0.80 3.39 0.00 0.00 -1.26 -4.34 105.19 102.97 2x0s n GLY 533 Ca -0.07 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.50 2x0s n GLY 533 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x0s s LYS 534 N 0.18 3.91 0.82 1.61 2.20 -1.26 -5.03 119.74 122.17 2x0s s LYS 534 Ca 0.00 -2.58 -0.14 0.00 -0.36 0.00 0.00 55.97 52.89 2x0s s LYS 534 Cb 0.00 -4.72 0.20 0.00 -1.51 0.00 0.00 37.83 31.80 2x0s s LYS 534 CO 0.00 -1.49 0.74 1.28 -0.36 0.00 0.00 175.35 175.52 2x0s n LEU 535 N 4.51 0.00 -3.75 5.43 4.77 -1.26 -3.94 117.00 122.77 2x0s n LEU 535 Ca 0.25 -0.78 -0.13 0.00 -0.03 0.00 0.00 56.01 55.31 2x0s n LEU 535 Cb 0.44 -0.67 -0.09 0.00 -2.33 0.00 0.00 43.42 40.76 2x0s n LEU 535 CO 0.48 -1.77 0.04 -1.59 -1.33 0.00 0.00 177.39 173.22 2x0s s LYS 536 N -4.67 0.59 0.04 3.23 -2.85 -0.00 -4.77 119.74 111.31 2x0s s LYS 536 Ca 0.48 0.08 -0.30 0.00 -1.00 0.00 0.00 55.97 55.23 2x0s s LYS 536 Cb -0.05 0.27 -0.07 0.00 -2.06 0.00 0.00 37.83 35.93 2x0s s LYS 536 CO 0.37 -0.14 1.50 -0.51 0.10 0.00 0.00 175.35 176.66 2x0s s LEU 537 N -0.76 4.34 -0.99 2.77 1.43 -1.26 -2.67 118.68 121.55 2x0s s LEU 537 Ca -0.08 2.28 -0.07 0.00 -1.03 0.00 0.00 54.13 55.23 2x0s s LEU 537 Cb -0.04 -3.56 -0.11 0.00 0.03 0.00 0.00 46.19 42.50 2x0s s LEU 537 CO 0.03 -0.78 2.72 -1.14 0.23 0.00 0.00 176.35 177.41 2x0s n ARG 538 N 5.28 2.66 0.02 1.70 0.63 -1.26 -4.53 116.66 121.16 2x0s n ARG 538 Ca 0.14 -1.61 -0.11 0.00 -0.92 0.00 0.00 57.85 55.35 2x0s n ARG 538 Cb 0.42 -2.46 0.02 0.00 0.45 0.00 0.00 32.46 30.89 2x0s n ARG 538 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2x0s h SER 539 N 5.04 0.63 0.00 6.15 4.64 -1.90 -3.12 113.55 125.00 2x0s h SER 539 Ca 0.57 -0.38 -0.27 0.00 -0.47 0.00 0.00 61.79 61.24 2x0s h SER 539 Cb 0.49 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2x0s h SER 539 CO 1.29 1.12 1.95 -0.81 -0.87 0.00 0.00 176.83 179.51 2x0s n PRO 540 N -3.91 1.55 -1.79 4.77 -0.04 -1.26 -4.86 135.00 129.45 2x0s n PRO 540 Ca -0.04 -1.14 -0.40 0.00 -0.04 0.00 0.00 63.50 61.89 2x0s n PRO 540 Cb 0.67 -2.26 0.02 0.00 -0.04 0.00 0.00 33.50 31.89 2x0s n PRO 540 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2x0s s ASP 541 N 3.54 5.76 -0.77 3.54 -4.77 -1.18 -3.47 116.67 119.33 2x0s s ASP 541 Ca 0.31 2.89 -0.07 0.00 -3.30 0.00 0.00 52.55 52.39 2x0s s ASP 541 Cb 0.09 -2.65 0.07 0.00 -1.09 0.00 0.00 42.92 39.34 2x0s s ASP 541 CO -0.02 -1.25 0.17 0.18 0.70 0.00 0.00 175.17 174.94 2x0s n LEU 542 N -0.35 -0.38 -3.62 2.11 4.32 -1.26 -4.04 117.00 113.77 2x0s n LEU 542 Ca 0.06 -0.54 -0.21 0.00 -0.02 0.00 0.00 56.01 55.30 2x0s n LEU 542 Cb 0.42 -0.69 -0.06 0.00 -1.62 0.00 0.00 43.42 41.47 2x0s n LEU 542 CO 0.58 0.10 -0.27 2.29 -1.22 0.00 0.00 177.39 178.86 2x0s n LYS 543 N -2.22 -0.94 -0.57 3.23 2.85 -1.23 0.48 118.16 119.78 2x0s n LYS 543 Ca -0.02 0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 2x0s n LYS 543 Cb 0.23 -2.40 0.00 0.00 -0.65 0.00 0.00 35.03 32.21 2x0s n LYS 543 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2x0s n GLY 544 N -1.82 1.05 0.00 2.58 0.00 -1.26 -4.84 105.19 100.90 2x0s n GLY 544 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2x0s n GLY 544 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2x0s n SER 545 N 0.00 0.00 -0.33 1.61 2.88 1.78 -2.00 113.62 117.56 2x0s n SER 545 Ca 0.00 0.30 0.17 0.00 -1.33 0.00 0.00 58.87 58.01 2x0s n SER 545 Cb 0.00 -0.03 0.40 0.00 -0.75 0.00 0.00 64.21 63.84 2x0s n SER 545 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2x0s h PHE 546 N 0.00 0.90 -0.78 0.66 3.57 -1.72 0.22 116.94 119.78 2x0s h PHE 546 Ca 0.00 0.03 0.17 0.00 3.53 0.00 0.00 57.97 61.70 2x0s h PHE 546 Cb 0.00 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 38.42 2x0s h PHE 546 CO 0.01 0.15 0.53 1.96 -2.23 0.00 0.00 178.31 178.72 2x0s h GLN 547 N 0.59 0.35 -0.02 1.11 4.20 -1.74 0.13 115.11 119.73 2x0s h GLN 547 Ca 0.59 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 59.27 2x0s h GLN 547 Cb 1.15 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.85 2x0s h GLN 547 CO -0.36 0.23 -0.00 1.15 -0.67 0.00 0.00 178.83 179.18 2x0s h THR 548 N 0.36 1.26 -0.98 -0.54 2.02 0.08 0.11 112.91 115.21 2x0s h THR 548 Ca 0.39 -0.77 0.18 0.00 0.77 0.00 0.00 66.41 66.98 2x0s h THR 548 Cb 0.99 1.73 -0.10 0.00 -1.74 0.00 0.00 68.15 69.02 2x0s h THR 548 CO -0.12 0.20 0.58 0.40 0.37 0.00 0.00 175.52 176.95 2x0s h ILE 549 N -0.27 0.71 -0.48 3.11 5.03 -0.84 -0.52 117.51 124.25 2x0s h ILE 549 Ca 0.01 -0.25 -0.11 0.00 -0.12 0.00 0.00 64.86 64.38 2x0s h ILE 549 Cb 0.33 -0.09 -0.02 0.00 -3.03 0.00 0.00 36.82 34.01 2x0s h ILE 549 CO 0.00 0.14 -0.15 -0.07 -0.68 0.00 0.00 178.15 177.38 2x0s h LEU 550 N 0.74 0.92 0.49 1.44 3.38 -0.40 0.33 115.31 122.21 2x0s h LEU 550 Ca 0.56 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 2x0s h LEU 550 Cb 0.84 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2x0s h LEU 550 CO -0.38 1.06 -0.44 1.56 0.09 0.00 0.00 178.44 180.33 2x0s h GLN 551 N 0.81 -0.88 -0.66 1.13 1.08 0.39 0.61 115.11 117.58 2x0s h GLN 551 Ca 0.12 0.06 0.12 0.00 -1.45 0.00 0.00 58.65 57.50 2x0s h GLN 551 Cb 0.69 0.20 -0.12 0.00 -0.05 0.00 0.00 27.48 28.20 2x0s h GLN 551 CO 0.05 -0.59 -0.32 -1.49 -0.95 0.00 0.00 178.83 175.54 2x0s h TRP 552 N -0.92 -0.85 -0.78 2.96 6.55 -1.06 0.33 115.95 122.18 2x0s h TRP 552 Ca -0.06 0.07 0.14 0.00 0.95 0.00 0.00 58.89 59.99 2x0s h TRP 552 Cb 0.78 0.47 -0.09 0.00 -0.86 0.00 0.00 29.16 29.46 2x0s h TRP 552 CO -0.20 -0.37 0.36 0.00 -1.05 0.00 0.00 178.44 177.17 2x0s h GLN 554 N 0.53 0.00 0.00 0.00 4.20 0.41 -0.59 115.11 119.66 2x0s h GLN 554 Ca 0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.13 2x0s h GLN 554 Cb 0.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.38 2x0s h GLN 554 CO -0.37 0.00 -0.36 0.39 -0.67 0.00 0.00 178.83 177.82 2x0s n GLU 555 N -4.33 0.25 -0.00 1.46 1.02 0.95 -4.08 120.64 115.90 2x0s n GLU 555 Ca 0.03 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 2x0s n GLU 555 Cb 0.35 -1.71 -0.00 0.00 -0.02 0.00 0.00 31.44 30.06 2x0s n GLU 555 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2x0s n MET 556 N -2.10 3.21 -1.59 3.49 0.00 -0.86 -5.01 117.12 114.26 2x0s n MET 556 Ca 0.04 -0.00 -0.44 0.00 0.00 0.00 0.00 57.70 57.30 2x0s n MET 556 Cb 0.43 -0.79 -0.01 0.00 0.00 0.00 0.00 33.22 32.85 2x0s n MET 556 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2x0s n LYS 557 N -1.28 1.37 -0.11 0.03 4.81 -0.28 -4.40 118.16 118.30 2x0s n LYS 557 Ca -0.00 0.48 -0.18 0.00 -0.87 0.00 0.00 58.31 57.75 2x0s n LYS 557 Cb 0.01 -1.89 -0.06 0.00 0.02 0.00 0.00 35.03 33.12 2x0s n LYS 557 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2x0s n ARG 558 N 0.63 0.55 -1.72 1.64 0.63 -1.26 -4.91 116.66 112.21 2x0s n ARG 558 Ca 0.09 0.23 -0.42 0.00 -0.92 0.00 0.00 57.85 56.83 2x0s n ARG 558 Cb 0.33 -1.44 -0.01 0.00 0.45 0.00 0.00 32.46 31.80 2x0s n ARG 558 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2x0s n LEU 559 N -4.35 3.86 -4.82 6.15 4.77 -1.26 -5.00 117.00 116.35 2x0s n LEU 559 Ca -0.31 1.21 -0.33 0.00 -0.03 0.00 0.00 56.01 56.54 2x0s n LEU 559 Cb 0.67 -1.52 -0.07 0.00 -2.33 0.00 0.00 43.42 40.17 2x0s n LEU 559 CO 0.13 -0.29 0.62 -0.83 -1.33 0.00 0.00 177.39 175.69 2x0s s GLY 560 N -0.18 2.41 -0.27 -0.72 0.00 -0.76 -4.90 107.32 102.90 2x0s s GLY 560 Ca 0.56 0.37 -0.02 0.00 0.00 0.00 0.00 44.72 45.63 2x0s s GLY 560 CO 0.61 0.65 -0.02 0.14 0.00 0.00 0.00 173.10 174.49 2x0s s VAL 561 N -2.12 3.07 0.47 1.40 1.01 -1.26 -0.49 120.40 122.48 2x0s s VAL 561 Ca 0.60 -1.11 0.08 0.00 0.00 0.00 0.00 61.98 61.55 2x0s s VAL 561 Cb -0.10 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.66 2x0s s VAL 561 CO 0.14 0.07 0.48 -0.13 0.00 0.00 0.00 175.10 175.66 2x0s s ARG 562 N 1.32 2.48 0.09 2.72 0.52 0.26 -0.60 118.95 125.73 2x0s s ARG 562 Ca -0.01 -1.62 0.09 0.00 -0.52 0.00 0.00 55.73 53.67 2x0s s ARG 562 Cb -0.18 -2.41 -0.04 0.00 0.52 0.00 0.00 34.95 32.84 2x0s s ARG 562 CO -0.02 -0.40 -0.22 -0.08 0.02 0.00 0.00 175.30 174.60 2x0s s THR 563 N -2.55 2.55 -0.59 0.02 -1.32 0.28 -1.98 115.64 112.05 2x0s s THR 563 Ca 0.48 -1.46 -0.23 0.00 -1.21 0.00 0.00 61.69 59.28 2x0s s THR 563 Cb -0.04 -2.10 0.06 0.00 -1.51 0.00 0.00 72.50 68.90 2x0s s THR 563 CO 0.29 0.21 0.91 0.20 -2.21 0.00 0.00 174.62 174.02 2x0s s ASN 564 N -1.75 6.25 -0.28 8.08 0.02 0.39 -1.51 114.94 126.14 2x0s s ASN 564 Ca 0.15 -0.69 -0.17 0.00 -1.02 0.00 0.00 52.86 51.12 2x0s s ASN 564 Cb -0.10 -2.41 0.09 0.00 0.02 0.00 0.00 41.25 38.85 2x0s s ASN 564 CO 0.06 -1.27 0.76 0.00 0.02 0.00 0.00 177.10 176.67 2x0s s ALA 565 N 3.81 -1.95 -0.05 0.60 0.00 -0.75 -4.39 121.76 119.03 2x0s s ALA 565 Ca 0.25 2.33 0.00 0.00 0.00 0.00 0.00 51.96 54.55 2x0s s ALA 565 Cb -0.15 -1.46 0.00 0.00 0.00 0.00 0.00 23.12 21.51 2x0s s ALA 565 CO 0.14 -0.37 0.35 -0.40 0.00 0.00 0.00 175.76 175.49 2x0s n ASP 566 N 3.99 0.70 -4.80 0.00 5.68 -1.26 -4.40 116.55 116.44 2x0s n ASP 566 Ca -0.19 -0.85 -0.36 0.00 -0.50 0.00 0.00 54.79 52.89 2x0s n ASP 566 Cb 0.58 0.34 -0.07 0.00 -1.14 0.00 0.00 41.12 40.83 2x0s n ASP 566 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2x0s s THR 567 N -0.38 5.24 0.54 2.12 2.01 -1.26 -4.97 115.64 118.94 2x0s s THR 567 Ca 0.00 0.11 0.22 0.00 0.31 0.00 0.00 61.69 62.33 2x0s s THR 567 Cb 0.00 -3.29 0.32 0.00 0.01 0.00 0.00 72.50 69.54 2x0s s THR 567 CO 0.01 0.58 2.14 -0.65 -0.69 0.00 0.00 174.62 176.01 2x0s h PRO 568 N 5.40 0.00 -0.34 4.92 0.11 -1.93 0.82 132.00 140.99 2x0s h PRO 568 Ca -0.51 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 2x0s h PRO 568 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2x0s h PRO 568 CO 0.61 0.00 0.13 0.00 -0.21 0.00 0.00 178.00 178.53 2x0s h ALA 569 N 1.92 1.59 0.00 -0.75 0.00 -1.93 -1.00 119.26 119.10 2x0s h ALA 569 Ca 0.05 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2x0s h ALA 569 Cb 0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2x0s h ALA 569 CO -0.00 0.32 -1.28 -0.25 0.00 0.00 0.00 179.25 178.04 2x0s n ASP 570 N -4.39 0.82 0.16 0.00 10.43 0.13 -3.06 116.55 120.63 2x0s n ASP 570 Ca 0.02 0.34 -0.12 0.00 2.57 0.00 0.00 54.79 57.60 2x0s n ASP 570 Cb 0.14 0.34 -0.07 0.00 1.84 0.00 0.00 41.12 43.37 2x0s n ASP 570 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2x0s h ALA 571 N 1.67 -0.45 0.00 2.24 0.00 0.75 -3.03 119.26 120.43 2x0s h ALA 571 Ca -0.10 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 2x0s h ALA 571 Cb 1.34 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 2x0s h ALA 571 CO 0.03 -0.51 -0.53 0.00 0.00 0.00 0.00 179.25 178.24 2x0s h ALA 572 N -0.56 1.08 0.45 0.00 0.00 -1.33 0.12 119.26 119.03 2x0s h ALA 572 Ca -0.05 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 2x0s h ALA 572 Cb 0.52 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2x0s h ALA 572 CO 0.08 0.66 -0.27 -0.22 0.00 0.00 0.00 179.25 179.49 2x0s h LYS 573 N 0.00 -0.67 -0.57 0.00 1.63 -1.66 -2.27 116.57 113.04 2x0s h LYS 573 Ca -0.01 0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.80 2x0s h LYS 573 Cb 0.96 0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.72 2x0s h LYS 573 CO 0.07 -0.44 0.21 0.00 -3.45 0.00 0.00 179.45 175.84 2x0s h ALA 574 N -0.18 0.74 -0.61 5.00 0.00 -1.36 -2.86 119.26 119.99 2x0s h ALA 574 Ca -0.05 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.77 2x0s h ALA 574 Cb 0.56 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 2x0s h ALA 574 CO 0.06 0.38 0.25 -0.09 0.00 0.00 0.00 179.25 179.84 2x0s h ARG 575 N 0.79 0.43 -0.12 0.00 2.43 -0.97 -1.55 114.38 115.40 2x0s h ARG 575 Ca 0.19 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 2x0s h ARG 575 Cb 0.23 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2x0s h ARG 575 CO -0.01 0.28 0.00 -1.13 -1.51 0.00 0.00 179.97 177.60 2x0s n SER 576 N -4.97 0.12 -1.05 -3.80 3.41 -0.86 0.26 113.62 106.74 2x0s n SER 576 Ca 0.08 -1.46 0.09 0.00 -0.26 0.00 0.00 58.87 57.33 2x0s n SER 576 Cb 0.26 -0.06 0.25 0.00 -0.26 0.00 0.00 64.21 64.39 2x0s n SER 576 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2x0s n PHE 577 N -0.39 0.75 -1.13 7.33 3.72 -0.60 -4.96 117.46 122.18 2x0s n PHE 577 Ca 0.00 -0.49 0.00 0.00 -0.05 0.00 0.00 57.45 56.91 2x0s n PHE 577 Cb 0.03 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 2x0s n PHE 577 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2x0s n GLY 578 N 1.16 0.62 3.76 1.37 0.00 0.72 -4.77 105.19 108.05 2x0s n GLY 578 Ca 0.19 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 2x0s n GLY 578 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x0s s ALA 579 N -2.00 2.54 -0.23 4.61 0.00 -0.90 -4.95 121.76 120.84 2x0s s ALA 579 Ca 0.00 0.92 0.13 0.00 0.00 0.00 0.00 51.96 53.02 2x0s s ALA 579 Cb 0.00 -3.42 0.49 0.00 0.00 0.00 0.00 23.12 20.19 2x0s s ALA 579 CO 0.00 -1.14 1.41 0.39 0.00 0.00 0.00 175.76 176.42 2x0s n GLU 580 N -1.68 2.22 0.00 0.00 1.02 0.23 -4.61 120.64 117.82 2x0s n GLU 580 Ca 0.13 -2.98 0.00 0.00 -0.02 0.00 0.00 57.16 54.29 2x0s n GLU 580 Cb 0.50 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 2x0s n GLU 580 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x0s n GLY 581 N -0.91 1.17 3.48 0.62 0.00 -1.26 -4.36 105.19 103.93 2x0s n GLY 581 Ca 0.26 -1.95 -0.33 0.00 0.00 0.00 0.00 46.02 43.99 2x0s n GLY 581 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2x0s s VAL 582 N -1.07 3.61 -0.48 1.61 -7.23 -0.30 0.99 120.40 117.54 2x0s s VAL 582 Ca 0.00 -0.47 0.23 0.00 -1.81 0.00 0.00 61.98 59.93 2x0s s VAL 582 Cb 0.00 -2.54 -0.02 0.00 0.56 0.00 0.00 36.38 34.38 2x0s s VAL 582 CO 0.00 0.53 1.13 0.61 -0.31 0.00 0.00 175.10 177.06 2x0s n GLY 583 N 3.22 -1.37 2.85 2.32 0.00 -0.57 -0.81 105.19 110.83 2x0s n GLY 583 Ca -0.18 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 2x0s n GLY 583 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2x0s s LEU 584 N -4.54 -0.46 -0.34 0.99 2.96 -1.22 -4.69 118.68 111.37 2x0s s LEU 584 Ca 0.03 -0.13 -0.00 0.00 -0.22 0.00 0.00 54.13 53.80 2x0s s LEU 584 Cb 0.12 0.84 0.08 0.00 0.50 0.00 0.00 46.19 47.73 2x0s s LEU 584 CO 0.77 -0.33 0.07 0.00 -1.32 0.00 0.00 176.35 175.54 2x0s s ARG 586 N 1.11 4.44 0.00 0.00 1.70 -1.26 -1.86 118.95 123.08 2x0s s ARG 586 Ca 0.03 0.90 0.22 0.00 -0.47 0.00 0.00 55.73 56.41 2x0s s ARG 586 Cb -0.21 -3.43 0.66 0.00 -0.57 0.00 0.00 34.95 31.41 2x0s s ARG 586 CO -0.04 0.12 1.51 2.41 -1.08 0.00 0.00 175.30 178.22 2x0s n THR 587 N 3.56 0.25 -0.03 4.99 -1.04 -1.13 -4.10 114.28 116.79 2x0s n THR 587 Ca -0.02 -0.44 -0.09 0.00 -2.04 0.00 0.00 64.05 61.46 2x0s n THR 587 Cb 0.51 0.57 -0.03 0.00 -1.82 0.00 0.00 70.33 69.56 2x0s n THR 587 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2x0s h GLU 588 N 2.85 0.14 -0.61 -2.82 3.07 -1.91 -3.10 114.58 112.19 2x0s h GLU 588 Ca 0.00 -0.01 0.18 0.00 -0.50 0.00 0.00 59.36 59.03 2x0s h GLU 588 Cb 0.62 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.48 2x0s h GLU 588 CO 0.00 0.09 0.54 1.12 -1.40 0.00 0.00 179.01 179.36 2x0s h HIS 589 N 0.14 0.00 -0.53 4.33 2.07 -2.00 0.34 115.15 119.49 2x0s h HIS 589 Ca 0.08 0.00 -0.31 0.00 -2.85 0.00 0.00 60.37 57.28 2x0s h HIS 589 Cb 0.05 0.00 -0.16 0.00 2.57 0.00 0.00 27.41 29.87 2x0s h HIS 589 CO -0.12 0.00 0.40 0.00 -3.07 0.00 0.00 177.93 175.14 2x0s n MET 590 N -3.94 1.76 0.00 5.12 -0.00 -1.17 -2.57 117.12 116.32 2x0s n MET 590 Ca 0.12 -1.67 0.00 0.00 -0.00 0.00 0.00 57.70 56.15 2x0s n MET 590 Cb 0.77 -1.65 0.00 0.00 -0.00 0.00 0.00 33.22 32.34 2x0s n MET 590 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 2x0s n PHE 591 N -0.15 0.00 0.00 3.17 3.01 0.12 -4.84 117.46 118.77 2x0s n PHE 591 Ca 0.33 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.79 2x0s n PHE 591 Cb 0.91 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.38 2x0s n PHE 591 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2x0s n PHE 592 N -0.49 0.00 -1.56 1.38 7.35 -1.06 -2.36 117.46 120.72 2x0s n PHE 592 Ca 0.00 0.00 -0.61 0.00 -0.76 0.00 0.00 57.45 56.08 2x0s n PHE 592 Cb 0.01 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 39.75 2x0s n PHE 592 CO 0.00 0.00 0.00 -0.85 -0.76 0.00 0.00 176.76 175.15 2x0s n GLU 593 N 0.00 0.00 0.00 -4.13 0.28 -1.25 -1.99 120.64 113.54 2x0s n GLU 593 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2x0s n GLU 593 Cb 0.00 -1.39 0.00 0.00 1.43 0.00 0.00 31.44 31.48 2x0s n GLU 593 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2x0s n GLY 594 N 3.02 -1.01 0.39 -1.84 0.00 -1.26 -4.48 105.19 100.01 2x0s n GLY 594 Ca 0.26 -1.83 0.19 0.00 0.00 0.00 0.00 46.02 44.63 2x0s n GLY 594 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2x0s h SER 595 N 0.49 0.54 -0.67 1.61 0.87 -1.98 -2.88 113.55 111.54 2x0s h SER 595 Ca 0.00 0.08 0.06 0.00 -1.23 0.00 0.00 61.79 60.70 2x0s h SER 595 Cb 0.00 -0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 61.89 2x0s h SER 595 CO 0.00 0.17 0.37 0.08 -0.53 0.00 0.00 176.83 176.92 2x0s h ARG 596 N 0.52 0.66 -0.92 2.24 0.11 -1.79 -3.07 114.38 112.13 2x0s h ARG 596 Ca 0.55 -0.04 0.22 0.00 0.10 0.00 0.00 59.98 60.81 2x0s h ARG 596 Cb 1.21 -0.15 -0.12 0.00 1.11 0.00 0.00 29.97 32.02 2x0s h ARG 596 CO -0.29 0.44 0.45 0.97 0.10 0.00 0.00 179.97 181.64 2x0s h ILE 597 N 0.68 0.52 -0.46 0.08 6.09 -1.01 -1.52 117.51 121.89 2x0s h ILE 597 Ca 0.30 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 63.63 2x0s h ILE 597 Cb 0.19 0.01 -0.02 0.00 0.47 0.00 0.00 36.82 37.47 2x0s h ILE 597 CO -0.18 0.09 0.29 0.78 -3.07 0.00 0.00 178.15 176.05 2x0s h ASN 598 N 0.47 0.54 1.50 2.19 2.35 -1.74 -2.06 115.58 118.83 2x0s h ASN 598 Ca 0.57 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.29 2x0s h ASN 598 Cb 1.05 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.29 2x0s h ASN 598 CO -0.50 0.41 -0.16 -0.26 -1.65 0.00 0.00 177.43 175.27 2x0s h PHE 599 N 0.62 0.00 0.08 1.19 0.04 -1.43 -1.29 116.94 116.15 2x0s h PHE 599 Ca 0.17 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.73 2x0s h PHE 599 Cb -0.04 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.13 2x0s h PHE 599 CO -0.04 0.00 -0.87 0.97 -0.60 0.00 0.00 178.31 177.77 2x0s h ILE 600 N 0.00 1.41 -0.46 -0.55 2.10 -1.49 -3.00 117.51 115.52 2x0s h ILE 600 Ca 0.00 -2.34 0.13 0.00 1.08 0.00 0.00 64.86 63.73 2x0s h ILE 600 Cb 0.83 2.83 -0.02 0.00 -1.09 0.00 0.00 36.82 39.37 2x0s h ILE 600 CO 0.00 0.69 0.50 0.03 -1.08 0.00 0.00 178.15 178.29 2x0s h ARG 601 N -0.08 0.00 0.03 2.19 3.08 -0.52 0.23 114.38 119.31 2x0s h ARG 601 Ca -0.13 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.74 2x0s h ARG 601 Cb 1.61 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.67 2x0s h ARG 601 CO 0.17 0.00 -0.69 1.49 -1.07 0.00 0.00 179.97 179.86 2x0s h GLU 602 N 0.00 0.42 0.75 0.04 4.81 -1.26 -3.32 114.58 116.02 2x0s h GLU 602 Ca 0.22 -0.49 -0.04 0.00 -0.13 0.00 0.00 59.36 58.92 2x0s h GLU 602 Cb 1.22 0.15 0.01 0.00 0.63 0.00 0.00 28.75 30.76 2x0s h GLU 602 CO -0.00 1.15 -0.36 1.98 -0.73 0.00 0.00 179.01 181.05 2x0s h MET 603 N -0.10 -0.97 -0.84 1.92 4.05 -0.43 -1.48 114.93 117.08 2x0s h MET 603 Ca -0.09 0.07 0.24 0.00 -0.28 0.00 0.00 59.70 59.64 2x0s h MET 603 Cb 1.42 0.22 -0.03 0.00 -0.80 0.00 0.00 31.60 32.40 2x0s h MET 603 CO 0.13 -0.64 0.69 -0.84 0.23 0.00 0.00 176.91 176.48 2x0s h ILE 604 N -1.02 0.42 0.04 1.77 3.07 -1.56 -1.04 117.51 119.18 2x0s h ILE 604 Ca -0.10 0.00 -0.10 0.00 1.55 0.00 0.00 64.86 66.21 2x0s h ILE 604 Cb 0.77 0.50 -0.00 0.00 -0.27 0.00 0.00 36.82 37.82 2x0s h ILE 604 CO 0.17 0.00 -0.48 0.25 -1.05 0.00 0.00 178.15 177.04 2x0s h LEU 605 N 0.00 0.12 -5.80 0.16 5.85 -1.59 -3.46 115.31 110.60 2x0s h LEU 605 Ca 0.40 -0.90 -0.32 0.00 0.84 0.00 0.00 57.88 57.90 2x0s h LEU 605 Cb 1.77 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 42.68 2x0s h LEU 605 CO -0.00 1.21 1.37 0.00 -0.34 0.00 0.00 178.44 180.67 2x0s n ALA 606 N -2.78 0.50 -1.13 1.25 0.00 -0.40 -4.67 120.51 113.28 2x0s n ALA 606 Ca -0.16 -0.38 -0.43 0.00 0.00 0.00 0.00 53.44 52.47 2x0s n ALA 606 Cb 0.61 -1.69 -0.06 0.00 0.00 0.00 0.00 19.45 18.31 2x0s n ALA 606 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2x0s n ASP 607 N 5.94 2.38 0.00 0.00 5.75 -1.26 -4.53 116.55 124.82 2x0s n ASP 607 Ca 0.49 -2.66 0.00 0.00 -0.01 0.00 0.00 54.79 52.60 2x0s n ASP 607 Cb 0.06 -1.08 0.00 0.00 -1.03 0.00 0.00 41.12 39.07 2x0s n ASP 607 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2x0s n SER 608 N 8.00 0.00 -0.08 -1.12 2.88 -1.26 -4.97 113.62 117.07 2x0s n SER 608 Ca 0.49 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.89 2x0s n SER 608 Cb 0.41 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.82 2x0s n SER 608 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2x0s h ALA 609 N 0.00 0.40 0.00 -1.46 0.00 -2.00 -1.75 119.26 114.45 2x0s h ALA 609 Ca 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2x0s h ALA 609 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2x0s h ALA 609 CO 0.00 0.47 -0.02 0.77 0.00 0.00 0.00 179.25 180.47 2x0s h SER 610 N 0.45 0.00 0.01 0.00 0.02 -1.97 -2.61 113.55 109.46 2x0s h SER 610 Ca 0.03 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2x0s h SER 610 Cb 0.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.48 2x0s h SER 610 CO 0.08 0.02 -0.01 1.23 -1.14 0.00 0.00 176.83 177.02 2x0s h GLY 611 N 0.68 -0.02 -0.65 -3.77 0.00 -1.71 -3.31 103.07 94.30 2x0s h GLY 611 Ca -0.00 0.01 0.33 0.00 0.00 0.00 0.00 47.33 47.67 2x0s h GLY 611 CO 0.00 -0.01 0.51 3.21 0.00 0.00 0.00 176.54 180.25 2x0s h ARG 612 N -0.02 0.22 -1.32 4.80 3.08 -1.29 0.28 114.38 120.12 2x0s h ARG 612 Ca -0.00 -0.01 0.38 0.00 0.07 0.00 0.00 59.98 60.42 2x0s h ARG 612 Cb 0.01 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 29.96 2x0s h ARG 612 CO 0.00 0.14 1.02 -0.22 -1.07 0.00 0.00 179.97 179.85 2x0s h LYS 613 N 0.22 0.00 0.15 0.04 1.63 -1.55 1.29 116.57 118.35 2x0s h LYS 613 Ca 0.74 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 60.27 2x0s h LYS 613 Cb 1.74 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 33.38 2x0s h LYS 613 CO -0.66 0.00 -1.27 0.00 -3.45 0.00 0.00 179.45 174.06 2x0s h ALA 614 N 1.20 0.05 0.00 5.00 0.00 -0.57 -2.87 119.26 122.07 2x0s h ALA 614 Ca 0.63 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2x0s h ALA 614 Cb 2.66 0.33 0.00 0.00 0.00 0.00 0.00 17.79 20.78 2x0s h ALA 614 CO -0.01 0.69 0.03 0.00 0.00 0.00 0.00 179.25 179.97 2x0s n ALA 615 N -2.84 0.96 -0.07 0.00 0.00 0.39 -2.65 120.51 116.30 2x0s n ALA 615 Ca -0.21 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.18 2x0s n ALA 615 Cb 0.92 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 19.41 2x0s n ALA 615 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2x0s n LEU 616 N -1.45 1.77 0.00 0.00 4.77 0.16 -4.22 117.00 118.03 2x0s n LEU 616 Ca 0.00 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 2x0s n LEU 616 Cb 0.03 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.27 2x0s n LEU 616 CO 0.00 -0.46 0.46 0.47 -1.33 0.00 0.00 177.39 176.54 2x0s n ASP 617 N -4.54 0.00 0.45 -1.43 10.43 -1.09 0.23 116.55 120.61 2x0s n ASP 617 Ca -0.08 0.37 -0.18 0.00 2.57 0.00 0.00 54.79 57.48 2x0s n ASP 617 Cb 0.28 -0.37 -0.09 0.00 1.84 0.00 0.00 41.12 42.78 2x0s n ASP 617 CO 0.00 0.00 0.00 0.50 -1.07 0.00 0.00 177.20 176.63 2x0s h LYS 618 N 0.00 -1.13 0.00 -1.24 3.64 -1.68 -3.32 116.57 112.85 2x0s h LYS 618 Ca 0.00 0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2x0s h LYS 618 Cb 0.12 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2x0s h LYS 618 CO 0.00 -0.75 0.00 1.28 -2.27 0.00 0.00 179.45 177.71 2x0s n LEU 619 N -5.22 0.00 -0.35 5.20 4.77 0.63 -4.03 117.00 118.00 2x0s n LEU 619 Ca -0.14 0.46 -0.06 0.00 -0.03 0.00 0.00 56.01 56.23 2x0s n LEU 619 Cb 0.47 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 2x0s n LEU 619 CO 0.35 -0.03 0.54 0.25 -1.33 0.00 0.00 177.39 177.17 2x0s h LEU 620 N 0.00 -1.71 0.00 2.23 5.85 -1.52 -2.97 115.31 117.19 2x0s h LEU 620 Ca 0.00 0.30 -0.10 0.00 0.84 0.00 0.00 57.88 58.92 2x0s h LEU 620 Cb 0.43 0.81 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 2x0s h LEU 620 CO 0.00 -0.28 -1.12 -0.65 -0.34 0.00 0.00 178.44 176.05 2x0s h PRO 621 N -0.06 0.00 -0.45 5.25 0.11 -1.83 0.36 132.00 135.39 2x0s h PRO 621 Ca 0.24 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.32 2x0s h PRO 621 Cb 0.53 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.61 2x0s h PRO 621 CO -0.89 0.21 0.15 0.82 -0.21 0.00 0.00 178.00 178.07 2x0s h ILE 622 N 0.00 1.18 0.00 4.15 2.04 -1.77 -1.19 117.51 121.92 2x0s h ILE 622 Ca -0.09 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.16 2x0s h ILE 622 Cb 1.36 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 2x0s h ILE 622 CO 0.03 0.23 -0.25 1.56 0.00 0.00 0.00 178.15 179.72 2x0s h GLN 623 N 0.65 0.00 -0.64 2.37 4.20 -1.56 -3.07 115.11 117.05 2x0s h GLN 623 Ca 0.15 0.00 0.24 0.00 0.06 0.00 0.00 58.65 59.11 2x0s h GLN 623 Cb 0.19 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 27.85 2x0s h GLN 623 CO -0.01 0.00 0.25 -2.13 -0.67 0.00 0.00 178.83 176.27 2x0s n ARG 624 N -4.33 -0.04 -0.12 1.46 0.63 0.12 0.28 116.66 114.66 2x0s n ARG 624 Ca -0.03 0.91 -0.12 0.00 -0.92 0.00 0.00 57.85 57.69 2x0s n ARG 624 Cb 0.13 -1.58 -0.03 0.00 0.45 0.00 0.00 32.46 31.43 2x0s n ARG 624 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2x0s h ALA 625 N 1.29 0.49 0.00 5.13 0.00 -1.33 -2.25 119.26 122.59 2x0s h ALA 625 Ca 0.50 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2x0s h ALA 625 Cb 1.27 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2x0s h ALA 625 CO -0.53 0.41 0.00 -0.25 0.00 0.00 0.00 179.25 178.89 2x0s n ASP 626 N -4.32 0.30 -0.05 0.00 8.00 0.79 -2.08 116.55 119.19 2x0s n ASP 626 Ca -0.02 0.60 -0.15 0.00 0.71 0.00 0.00 54.79 55.93 2x0s n ASP 626 Cb 0.40 -0.65 -0.14 0.00 -0.02 0.00 0.00 41.12 40.71 2x0s n ASP 626 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2x0s n PHE 627 N -1.86 0.73 -0.22 1.24 0.99 -0.03 -2.83 117.46 115.47 2x0s n PHE 627 Ca 0.01 0.20 -0.05 0.00 -0.00 0.00 0.00 57.45 57.61 2x0s n PHE 627 Cb 0.11 -1.11 0.11 0.00 -1.00 0.00 0.00 39.48 37.59 2x0s n PHE 627 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.76 176.37 2x0s h VAL 628 N 0.03 1.25 -0.80 -4.37 -1.51 -1.34 0.34 116.25 109.84 2x0s h VAL 628 Ca -0.44 -0.86 0.17 0.00 -1.23 0.00 0.00 66.70 64.34 2x0s h VAL 628 Cb 2.04 0.50 -0.05 0.00 -2.13 0.00 0.00 31.29 31.64 2x0s h VAL 628 CO 0.04 0.34 0.54 1.23 -1.23 0.00 0.00 177.57 178.48 2x0s h GLY 629 N 1.07 0.74 0.40 5.19 0.00 -1.47 0.51 103.07 109.52 2x0s h GLY 629 Ca 0.22 -0.18 -0.32 0.00 0.00 0.00 0.00 47.33 47.06 2x0s h GLY 629 CO -0.01 0.04 -1.71 -2.22 0.00 0.00 0.00 176.54 172.64 2x0s h ILE 630 N 0.41 0.75 0.00 2.60 1.08 -1.30 -3.34 117.51 117.70 2x0s h ILE 630 Ca 0.40 -2.29 -0.06 0.00 -0.39 0.00 0.00 64.86 62.52 2x0s h ILE 630 Cb 0.97 2.42 -0.01 0.00 -3.07 0.00 0.00 36.82 37.12 2x0s h ILE 630 CO -0.13 0.68 -0.27 -0.07 -0.69 0.00 0.00 178.15 177.66 2x0s h LEU 631 N -0.32 0.00 -0.50 1.44 4.07 0.21 -1.94 115.31 118.27 2x0s h LEU 631 Ca -0.39 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.53 2x0s h LEU 631 Cb 1.77 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.49 2x0s h LEU 631 CO -0.02 0.27 0.17 0.03 -1.08 0.00 0.00 178.44 177.82 2x0s h ARG 632 N 0.00 0.76 0.10 1.13 3.08 -0.16 -3.07 114.38 116.23 2x0s h ARG 632 Ca -0.00 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 59.90 2x0s h ARG 632 Cb 0.54 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 2x0s h ARG 632 CO 0.04 0.70 -0.38 0.00 -1.07 0.00 0.00 179.97 179.25 2x0s h ALA 633 N 1.03 -0.88 -1.55 0.04 0.00 -1.47 -3.29 119.26 113.12 2x0s h ALA 633 Ca 0.16 -0.08 -0.77 0.00 0.00 0.00 0.00 54.91 54.22 2x0s h ALA 633 Cb 0.24 0.77 -0.20 0.00 0.00 0.00 0.00 17.79 18.60 2x0s h ALA 633 CO -0.01 -0.98 1.39 -1.33 0.00 0.00 0.00 179.25 178.32 2x0s n MET 634 N -4.64 3.68 -2.91 0.00 2.81 -1.12 -4.93 117.12 110.01 2x0s n MET 634 Ca -0.06 -3.93 -0.41 0.00 -1.81 0.00 0.00 57.70 51.49 2x0s n MET 634 Cb 0.30 -2.84 -0.04 0.00 -0.71 0.00 0.00 33.22 29.93 2x0s n MET 634 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2x0s s ARG 635 N -0.02 4.48 0.00 0.03 0.52 -1.23 -3.36 118.95 119.38 2x0s s ARG 635 Ca 0.38 1.09 0.00 0.00 -0.52 0.00 0.00 55.73 56.68 2x0s s ARG 635 Cb 0.02 -3.46 0.00 0.00 0.52 0.00 0.00 34.95 32.04 2x0s s ARG 635 CO 0.01 0.01 0.00 0.41 0.02 0.00 0.00 175.30 175.75 2x0s n GLY 636 N 3.03 2.72 3.61 -3.53 0.00 0.26 -4.97 105.19 106.31 2x0s n GLY 636 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 2x0s n GLY 636 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x0s s LEU 637 N 0.00 3.18 0.40 0.99 1.02 -1.21 -4.94 118.68 118.11 2x0s s LEU 637 Ca 0.00 -0.28 -0.26 0.00 0.02 0.00 0.00 54.13 53.61 2x0s s LEU 637 Cb 0.00 -1.93 -0.09 0.00 0.02 0.00 0.00 46.19 44.19 2x0s s LEU 637 CO 0.00 0.20 1.27 -2.16 0.02 0.00 0.00 176.35 175.68 2x0s s PRO 638 N -2.08 4.03 -0.07 1.29 0.04 -1.26 -4.30 135.00 132.65 2x0s s PRO 638 Ca 0.22 2.09 -0.01 0.00 0.04 0.00 0.00 61.00 63.34 2x0s s PRO 638 Cb -0.11 -2.78 0.03 0.00 0.04 0.00 0.00 34.50 31.68 2x0s s PRO 638 CO 0.14 -0.42 0.01 0.08 0.04 0.00 0.00 177.00 176.85 2x0s s VAL 639 N -1.28 0.29 -0.17 -0.36 1.01 -0.98 -1.14 120.40 117.76 2x0s s VAL 639 Ca 0.56 0.17 -0.13 0.00 0.00 0.00 0.00 61.98 62.58 2x0s s VAL 639 Cb -0.37 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 2x0s s VAL 639 CO 0.47 0.24 0.25 -0.89 0.00 0.00 0.00 175.10 175.17 2x0s s THR 640 N 2.01 5.33 -0.15 3.92 2.01 0.01 -0.16 115.64 128.61 2x0s s THR 640 Ca 0.05 0.46 0.02 0.00 0.31 0.00 0.00 61.69 62.53 2x0s s THR 640 Cb -0.12 -3.59 0.01 0.00 0.01 0.00 0.00 72.50 68.81 2x0s s THR 640 CO -0.05 0.40 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.45 2x0s s ILE 641 N 0.45 1.95 -0.47 1.82 1.01 -0.67 0.32 121.20 125.62 2x0s s ILE 641 Ca 0.14 -0.90 -0.22 0.00 0.00 0.00 0.00 60.65 59.68 2x0s s ILE 641 Cb -0.12 -1.75 0.03 0.00 0.01 0.00 0.00 42.46 40.63 2x0s s ILE 641 CO 0.02 0.53 0.74 -0.60 0.00 0.00 0.00 174.94 175.63 2x0s s ARG 642 N 1.03 3.32 0.94 2.79 3.52 -0.78 -1.21 118.95 128.56 2x0s s ARG 642 Ca -0.02 -0.31 -0.14 0.00 -0.13 0.00 0.00 55.73 55.13 2x0s s ARG 642 Cb -0.14 -3.98 -0.02 0.00 -1.56 0.00 0.00 34.95 29.25 2x0s s ARG 642 CO -0.06 -1.14 0.12 1.28 -0.81 0.00 0.00 175.30 174.69 2x0s n LEU 643 N 6.60 -1.58 -3.95 -0.88 4.77 -0.96 -2.82 117.00 118.18 2x0s n LEU 643 Ca -0.00 0.32 -0.55 0.00 -0.03 0.00 0.00 56.01 55.74 2x0s n LEU 643 Cb 0.48 -1.10 -0.08 0.00 -2.33 0.00 0.00 43.42 40.39 2x0s n LEU 643 CO 0.57 -4.19 0.85 -0.11 -1.33 0.00 0.00 177.39 173.18 2x0s n LEU 644 N -0.02 0.77 -0.05 2.23 7.94 -1.26 -4.68 117.00 121.92 2x0s n LEU 644 Ca 0.05 1.00 -0.02 0.00 -1.11 0.00 0.00 56.01 55.93 2x0s n LEU 644 Cb 0.54 -0.75 -0.01 0.00 0.53 0.00 0.00 43.42 43.73 2x0s n LEU 644 CO 0.51 -0.93 -0.14 -0.78 -1.11 0.00 0.00 177.39 174.95 2x0s h ASP 645 N 3.81 0.00 -2.94 1.96 1.82 -1.93 -3.38 116.42 115.76 2x0s h ASP 645 Ca -0.39 0.00 -0.46 0.00 -0.39 0.00 0.00 57.03 55.80 2x0s h ASP 645 Cb 1.17 0.00 0.13 0.00 0.68 0.00 0.00 39.33 41.31 2x0s h ASP 645 CO 0.76 0.54 0.28 -2.16 -1.61 0.00 0.00 179.24 177.05 2x0s s PRO 646 N -1.76 0.89 0.57 0.28 0.04 -1.26 0.64 135.00 134.41 2x0s s PRO 646 Ca -0.06 -0.88 -0.14 0.00 0.04 0.00 0.00 61.00 59.96 2x0s s PRO 646 Cb 0.01 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 2x0s s PRO 646 CO 0.09 -2.11 1.01 -2.14 0.04 0.00 0.00 177.00 173.88 2x0s s PRO 647 N -5.59 3.69 0.55 0.56 0.02 -1.25 -4.62 135.00 128.35 2x0s s PRO 647 Ca 0.73 0.92 0.33 0.00 0.02 0.00 0.00 61.00 63.00 2x0s s PRO 647 Cb -0.03 -2.10 1.41 0.00 0.02 0.00 0.00 34.50 33.81 2x0s s PRO 647 CO 0.50 -0.49 2.00 -0.07 -0.33 0.00 0.00 177.00 178.61 2x0s h LEU 648 N 0.35 0.00 0.00 -5.54 3.38 -1.91 -3.14 115.31 108.45 2x0s h LEU 648 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2x0s h LEU 648 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2x0s h LEU 648 CO 0.61 0.03 0.00 1.57 0.09 0.00 0.00 178.44 180.74 2x0s n HIS 649 N -3.14 0.00 1.01 1.13 -0.00 -1.26 -1.43 115.22 111.53 2x0s n HIS 649 Ca 0.00 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.29 2x0s n HIS 649 Cb 0.30 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.15 2x0s n HIS 649 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2x0s n GLU 650 N -0.99 0.41 -0.61 1.57 1.02 -1.19 -3.96 120.64 116.91 2x0s n GLU 650 Ca 0.12 -0.33 0.09 0.00 -0.02 0.00 0.00 57.16 57.03 2x0s n GLU 650 Cb 0.06 -1.49 0.35 0.00 -0.02 0.00 0.00 31.44 30.34 2x0s n GLU 650 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2x0s n PHE 651 N -1.01 1.47 -4.13 -0.32 3.01 -0.52 -4.96 117.46 111.00 2x0s n PHE 651 Ca 0.06 -0.59 -0.16 0.00 1.01 0.00 0.00 57.45 57.78 2x0s n PHE 651 Cb 0.37 -0.24 -0.12 0.00 -0.01 0.00 0.00 39.48 39.49 2x0s n PHE 651 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 2x0s s VAL 652 N -1.82 0.87 0.00 -4.37 -7.23 -1.25 -4.79 120.40 101.80 2x0s s VAL 652 Ca 0.51 -1.29 0.00 0.00 -1.81 0.00 0.00 61.98 59.38 2x0s s VAL 652 Cb 0.32 -0.96 0.00 0.00 0.56 0.00 0.00 36.38 36.30 2x0s s VAL 652 CO 0.25 -0.35 0.00 -2.65 -0.31 0.00 0.00 175.10 172.04 2x0s n PRO 653 N 1.20 0.00 0.00 4.82 -0.02 -1.26 -5.02 135.00 134.72 2x0s n PRO 653 Ca -0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 2x0s n PRO 653 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.03 2x0s n PRO 653 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2x0s n HIS 654 N 0.00 0.00 0.00 6.00 1.44 -1.26 -4.97 115.22 116.43 2x0s n HIS 654 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2x0s n HIS 654 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2x0s n HIS 654 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2x0s n ASP 655 N -0.03 0.00 -3.43 4.39 -0.08 -1.26 -5.00 116.55 111.14 2x0s n ASP 655 Ca 0.00 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.91 2x0s n ASP 655 Cb 0.00 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 2x0s n ASP 655 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2x0s n ALA 656 N -0.37 -2.47 -3.52 -1.67 0.00 -1.26 -4.95 120.51 106.27 2x0s n ALA 656 Ca 0.00 0.34 -0.33 0.00 0.00 0.00 0.00 53.44 53.45 2x0s n ALA 656 Cb 0.00 -1.25 -0.15 0.00 0.00 0.00 0.00 19.45 18.04 2x0s n ALA 656 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x0s s ALA 657 N -0.79 2.47 0.00 0.00 0.00 -1.26 -4.65 121.76 117.52 2x0s s ALA 657 Ca 0.50 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.39 2x0s s ALA 657 Cb -0.72 -1.21 0.00 0.00 0.00 0.00 0.00 23.12 21.19 2x0s s ALA 657 CO 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 175.76 176.13 2x0s n ALA 658 N 4.12 0.00 -0.05 0.00 0.00 -1.26 -5.03 120.51 118.29 2x0s n ALA 658 Ca -0.19 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.24 2x0s n ALA 658 Cb 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.96 2x0s n ALA 658 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2x0s h GLN 659 N 0.00 0.00 0.00 0.00 -0.00 -1.99 -3.31 115.11 109.81 2x0s h GLN 659 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2x0s h GLN 659 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 2x0s h GLN 659 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 178.83 179.10 2x0s h PHE 660 N -0.93 0.00 0.00 0.06 -5.15 -1.94 -2.55 116.94 106.44 2x0s h PHE 660 Ca 0.00 0.00 -0.19 0.00 -0.20 0.00 0.00 57.97 57.58 2x0s h PHE 660 Cb 0.12 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.25 2x0s h PHE 660 CO -0.05 0.00 -1.35 1.05 -2.00 0.00 0.00 178.31 175.96 2x0s h GLU 661 N 0.00 0.00 -1.00 6.09 9.09 -1.96 -3.07 114.58 123.73 2x0s h GLU 661 Ca 0.00 0.00 0.11 0.00 0.05 0.00 0.00 59.36 59.52 2x0s h GLU 661 Cb 0.01 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 27.03 2x0s h GLU 661 CO 0.00 0.41 0.63 -0.07 0.05 0.00 0.00 179.01 180.03 2x0s h LEU 662 N 0.00 0.94 -0.34 3.06 3.38 -1.54 -3.45 115.31 117.36 2x0s h LEU 662 Ca -0.16 0.04 0.28 0.00 0.09 0.00 0.00 57.88 58.13 2x0s h LEU 662 Cb 1.67 -0.15 -0.11 0.00 0.09 0.00 0.00 40.66 42.16 2x0s h LEU 662 CO 0.06 0.52 -0.70 0.00 0.09 0.00 0.00 178.44 178.41 2x0s n ALA 663 N -2.35 -3.35 -3.00 1.53 0.00 -1.16 -5.07 120.51 107.11 2x0s n ALA 663 Ca 0.18 0.54 0.00 0.00 0.00 0.00 0.00 53.44 54.16 2x0s n ALA 663 Cb 0.32 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2x0s n ALA 663 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x0s n GLN 664 N -3.75 3.41 -1.52 0.00 10.64 -1.26 -5.14 117.38 119.75 2x0s n GLN 664 Ca -0.03 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 54.86 2x0s n GLN 664 Cb 0.63 0.00 0.20 0.00 -0.86 0.00 0.00 30.24 30.21 2x0s n GLN 664 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 2x0s n LYS 665 N 0.00 -1.72 -1.52 2.61 2.85 -1.26 -5.04 118.16 114.08 2x0s n LYS 665 Ca 0.00 -1.82 -0.31 0.00 -1.05 0.00 0.00 58.31 55.14 2x0s n LYS 665 Cb 0.00 -1.34 0.07 0.00 -0.65 0.00 0.00 35.03 33.11 2x0s n LYS 665 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 2x0s s LEU 666 N 0.00 2.88 0.00 -5.58 2.96 -1.26 -4.46 118.68 113.22 2x0s s LEU 666 Ca 0.69 1.52 0.00 0.00 -0.22 0.00 0.00 54.13 56.11 2x0s s LEU 666 Cb -0.03 -4.26 0.00 0.00 0.50 0.00 0.00 46.19 42.40 2x0s s LEU 666 CO 0.49 -1.75 0.00 0.61 -1.32 0.00 0.00 176.35 174.38 2x0s n GLY 667 N -1.92 0.83 3.01 7.98 0.00 -1.26 -5.09 105.19 108.74 2x0s n GLY 667 Ca 0.07 -0.15 0.02 0.00 0.00 0.00 0.00 46.02 45.96 2x0s n GLY 667 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2x0s s MET 668 N -0.92 0.49 0.00 1.61 1.75 -1.26 -5.06 119.30 115.91 2x0s s MET 668 Ca 0.00 -0.11 0.00 0.00 -1.25 0.00 0.00 55.69 54.33 2x0s s MET 668 Cb 0.00 0.07 0.00 0.00 2.84 0.00 0.00 34.83 37.74 2x0s s MET 668 CO 0.00 -0.72 0.00 -0.35 -0.65 0.00 0.00 175.02 173.30 2x0s n PRO 669 N 4.19 3.96 -0.48 4.11 -0.05 -1.26 -5.02 135.00 140.45 2x0s n PRO 669 Ca 0.08 0.00 -0.03 0.00 -0.05 0.00 0.00 63.50 63.50 2x0s n PRO 669 Cb 0.60 0.00 0.14 0.00 -0.05 0.00 0.00 33.50 34.18 2x0s n PRO 669 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2x0s n ALA 670 N -3.00 3.50 -1.53 0.55 0.00 -1.26 -3.15 120.51 115.63 2x0s n ALA 670 Ca 0.00 -1.09 0.04 0.00 0.00 0.00 0.00 53.44 52.39 2x0s n ALA 670 Cb 0.00 -1.13 0.06 0.00 0.00 0.00 0.00 19.45 18.38 2x0s n ALA 670 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2x0s n GLU 671 N 0.04 0.61 -0.08 0.00 0.00 -1.26 -3.74 120.64 116.21 2x0s n GLU 671 Ca 0.20 -1.64 0.12 0.00 0.00 0.00 0.00 57.16 55.83 2x0s n GLU 671 Cb 0.85 -0.92 0.19 0.00 0.00 0.00 0.00 31.44 31.55 2x0s n GLU 671 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2x0s n LYS 672 N -0.61 2.33 -0.06 3.44 4.81 -1.19 -3.30 118.16 123.58 2x0s n LYS 672 Ca 0.07 -1.96 -0.06 0.00 -0.87 0.00 0.00 58.31 55.49 2x0s n LYS 672 Cb 0.66 -1.48 -0.04 0.00 0.02 0.00 0.00 35.03 34.19 2x0s n LYS 672 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2x0s h VAL 673 N 4.34 0.39 0.00 3.15 2.07 -1.71 -3.38 116.25 121.11 2x0s h VAL 673 Ca 0.00 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.18 2x0s h VAL 673 Cb 0.94 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2x0s h VAL 673 CO 0.00 0.13 0.00 0.03 0.02 0.00 0.00 177.57 177.75 2x0s h ARG 674 N -1.00 0.00 0.00 1.57 3.08 -1.72 -3.24 114.38 113.07 2x0s h ARG 674 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2x0s h ARG 674 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2x0s h ARG 674 CO -0.02 0.00 0.00 0.27 -1.07 0.00 0.00 179.97 179.15 2x0s n ASN 675 N -2.70 0.00 -4.32 7.04 6.94 -1.21 -2.72 115.26 118.29 2x0s n ASN 675 Ca -0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 54.58 54.38 2x0s n ASN 675 Cb 0.18 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.50 2x0s n ASN 675 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 2x0s n ARG 676 N 0.00 0.06 0.00 -3.83 0.63 -1.25 0.34 116.66 112.61 2x0s n ARG 676 Ca 0.00 -1.36 0.00 0.00 -0.92 0.00 0.00 57.85 55.57 2x0s n ARG 676 Cb 0.00 -3.32 0.00 0.00 0.45 0.00 0.00 32.46 29.59 2x0s n ARG 676 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 2x0s n VAL 677 N 8.13 0.00 1.16 5.15 3.14 -1.22 -4.75 118.33 129.94 2x0s n VAL 677 Ca 0.37 0.00 0.13 0.00 -2.96 0.00 0.00 64.34 61.88 2x0s n VAL 677 Cb 0.46 0.00 0.43 0.00 -1.06 0.00 0.00 33.84 33.67 2x0s n VAL 677 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2x0s n ASN 678 N -2.30 0.53 0.02 6.55 3.02 -0.87 -2.66 115.26 119.53 2x0s n ASN 678 Ca 0.00 -0.35 -0.12 0.00 -0.03 0.00 0.00 54.58 54.08 2x0s n ASN 678 Cb 0.00 0.02 -0.14 0.00 -0.61 0.00 0.00 39.78 39.06 2x0s n ASN 678 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2x0s h ALA 679 N 3.31 0.52 -0.38 5.41 0.00 -0.29 -3.33 119.26 124.50 2x0s h ALA 679 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 54.91 53.65 2x0s h ALA 679 Cb 0.46 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2x0s h ALA 679 CO 0.00 1.37 0.00 1.28 0.00 0.00 0.00 179.25 181.90 2x0s n LEU 680 N -3.26 3.32 -4.77 0.00 4.77 -1.23 -4.94 117.00 110.88 2x0s n LEU 680 Ca -0.16 -1.43 -0.39 0.00 -0.03 0.00 0.00 56.01 54.00 2x0s n LEU 680 Cb 1.03 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.84 2x0s n LEU 680 CO 0.47 0.72 0.81 -2.28 -1.33 0.00 0.00 177.39 175.78 2x0s s HIS 681 N -1.51 3.35 0.22 -1.77 2.46 -1.09 -4.61 115.29 112.33 2x0s s HIS 681 Ca 0.38 1.62 0.07 0.00 0.47 0.00 0.00 55.06 57.61 2x0s s HIS 681 Cb 0.22 -3.33 -0.05 0.00 -0.13 0.00 0.00 32.58 29.30 2x0s s HIS 681 CO 0.31 -0.89 -0.12 -1.21 -2.47 0.00 0.00 174.74 170.36 2x0s s GLU 682 N -1.86 1.36 -0.16 2.88 2.02 -1.26 -5.02 118.70 116.66 2x0s s GLU 682 Ca 0.50 -1.62 -0.20 0.00 0.02 0.00 0.00 54.97 53.67 2x0s s GLU 682 Cb -0.31 -1.10 -0.17 0.00 0.10 0.00 0.00 34.13 32.64 2x0s s GLU 682 CO 0.40 0.15 0.36 -0.07 0.02 0.00 0.00 175.26 176.11 2x0s h LEU 683 N 2.51 0.00 -7.44 1.80 4.07 -2.01 -3.40 115.31 110.84 2x0s h LEU 683 Ca -0.38 -0.57 -0.66 0.00 0.08 0.00 0.00 57.88 56.34 2x0s h LEU 683 Cb 1.22 0.00 -0.39 0.00 1.08 0.00 0.00 40.66 42.57 2x0s h LEU 683 CO 0.63 1.08 -0.53 0.20 -1.08 0.00 0.00 178.44 178.74 2x0s s ASN 684 N -6.31 4.64 0.39 -0.43 0.01 -1.26 -4.96 114.94 107.02 2x0s s ASN 684 Ca -0.20 -2.98 0.07 0.00 -0.71 0.00 0.00 52.86 49.04 2x0s s ASN 684 Cb 0.01 -1.72 0.81 0.00 0.41 0.00 0.00 41.25 40.77 2x0s s ASN 684 CO 0.51 -0.27 2.00 -0.65 -1.51 0.00 0.00 177.10 177.18 2x0s h PRO 685 N 6.65 0.63 -0.78 -0.60 0.11 -1.99 -2.55 132.00 133.47 2x0s h PRO 685 Ca -0.05 -0.04 0.17 0.00 0.11 0.00 0.00 66.00 66.19 2x0s h PRO 685 Cb 0.91 -0.14 -0.11 0.00 0.11 0.00 0.00 31.00 31.77 2x0s h PRO 685 CO 0.70 0.42 0.25 1.98 -0.21 0.00 0.00 178.00 181.14 2x0s h MET 686 N 0.65 0.33 -0.51 1.05 4.05 -1.98 -1.42 114.93 117.10 2x0s h MET 686 Ca 0.25 -0.02 -0.19 0.00 -0.28 0.00 0.00 59.70 59.46 2x0s h MET 686 Cb 0.16 -0.07 -0.11 0.00 -0.80 0.00 0.00 31.60 30.77 2x0s h MET 686 CO -0.07 0.22 0.12 1.28 0.23 0.00 0.00 176.91 178.69 2x0s n LEU 687 N -5.10 4.89 0.00 3.39 4.77 -0.97 -4.97 117.00 119.01 2x0s n LEU 687 Ca 0.16 -3.43 0.00 0.00 -0.03 0.00 0.00 56.01 52.71 2x0s n LEU 687 Cb 0.49 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2x0s n LEU 687 CO 0.14 0.97 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 2x0s n GLY 688 N -0.75 1.26 3.54 -0.72 0.00 -0.53 -4.99 105.19 103.00 2x0s n GLY 688 Ca 0.36 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 2x0s n GLY 688 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2x0s s HIS 689 N 1.28 2.92 0.00 1.61 2.46 -1.26 -4.96 115.29 117.34 2x0s s HIS 689 Ca 0.00 0.14 0.00 0.00 0.47 0.00 0.00 55.06 55.67 2x0s s HIS 689 Cb 0.00 -3.85 0.00 0.00 -0.13 0.00 0.00 32.58 28.60 2x0s s HIS 689 CO 0.00 -1.12 0.00 2.89 -2.47 0.00 0.00 174.74 174.04 2x0s n ARG 690 N 7.02 0.00 0.00 2.88 1.85 -1.26 -3.94 116.66 123.21 2x0s n ARG 690 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.88 2x0s n ARG 690 Cb 0.48 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.89 2x0s n ARG 690 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2x0s n GLY 691 N 0.00 2.59 0.24 2.89 0.00 0.21 -0.75 105.19 110.37 2x0s n GLY 691 Ca 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 46.02 45.88 2x0s n GLY 691 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x0s h ARG 693 N 0.74 -0.09 -0.86 0.00 3.08 -1.28 0.35 114.38 116.33 2x0s h ARG 693 Ca 0.24 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.32 2x0s h ARG 693 Cb 0.02 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.04 2x0s h ARG 693 CO -0.10 -0.06 0.56 1.25 -1.07 0.00 0.00 179.97 180.55 2x0s h LEU 694 N -0.09 0.95 0.00 3.04 6.46 -1.09 -2.44 115.31 122.14 2x0s h LEU 694 Ca 0.17 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.91 2x0s h LEU 694 Cb 0.48 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.18 2x0s h LEU 694 CO -0.86 0.67 0.00 0.61 -0.62 0.00 0.00 178.44 178.24 2x0s n GLY 695 N -1.33 -0.91 0.04 3.75 0.00 0.11 -1.34 105.19 105.50 2x0s n GLY 695 Ca 0.10 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 2x0s n GLY 695 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2x0s n ILE 696 N -0.63 0.49 0.10 -0.61 -5.35 -0.18 -3.76 119.36 109.42 2x0s n ILE 696 Ca 0.06 -0.21 -0.13 0.00 -0.27 0.00 0.00 62.75 62.20 2x0s n ILE 696 Cb 0.03 -0.81 -0.08 0.00 -1.74 0.00 0.00 39.64 37.04 2x0s n ILE 696 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 2x0s h THR 697 N 0.00 0.91 -3.50 7.28 1.35 -1.41 -3.37 112.91 114.16 2x0s h THR 697 Ca -0.19 -0.50 -0.69 0.00 -0.55 0.00 0.00 66.41 64.48 2x0s h THR 697 Cb 1.32 1.21 -0.35 0.00 -1.73 0.00 0.00 68.15 68.60 2x0s h THR 697 CO -0.02 0.11 -0.53 -0.31 -0.25 0.00 0.00 175.52 174.53 2x0s s TYR 698 N -5.14 3.55 -0.09 4.73 2.02 -0.45 -4.97 117.35 117.00 2x0s s TYR 698 Ca -0.15 -2.53 -0.26 0.00 -0.37 0.00 0.00 57.07 53.76 2x0s s TYR 698 Cb 0.03 -3.19 -0.26 0.00 -0.40 0.00 0.00 41.96 38.14 2x0s s TYR 698 CO 0.62 -0.94 0.89 -1.35 -1.57 0.00 0.00 175.55 173.20 2x0s h PRO 699 N 7.78 0.12 -1.32 -1.71 0.11 -1.73 -3.36 132.00 131.89 2x0s h PRO 699 Ca -0.10 -0.18 0.38 0.00 0.11 0.00 0.00 66.00 66.22 2x0s h PRO 699 Cb 1.02 0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 2x0s h PRO 699 CO 0.69 1.02 1.00 0.93 -0.21 0.00 0.00 178.00 181.43 2x0s h GLU 700 N -0.69 0.00 0.24 1.05 3.07 -1.93 0.69 114.58 117.01 2x0s h GLU 700 Ca -0.04 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 2x0s h GLU 700 Cb 1.14 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.04 2x0s h GLU 700 CO 0.05 0.00 -0.24 0.82 -1.40 0.00 0.00 179.01 178.25 2x0s h ILE 701 N 0.00 0.00 0.00 3.13 2.04 -1.95 0.12 117.51 120.85 2x0s h ILE 701 Ca 0.63 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.49 2x0s h ILE 701 Cb 2.63 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 2x0s h ILE 701 CO -0.01 0.00 0.29 1.88 0.00 0.00 0.00 178.15 180.31 2x0s h TYR 702 N -0.47 0.00 0.06 1.37 -1.99 -1.11 0.26 116.97 115.08 2x0s h TYR 702 Ca -0.03 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.54 2x0s h TYR 702 Cb 0.41 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.13 2x0s h TYR 702 CO -0.15 0.00 -0.80 -0.91 -0.00 0.00 0.00 178.16 176.30 2x0s h ASN 703 N 0.00 0.18 0.02 3.88 2.35 -1.10 -1.32 115.58 119.60 2x0s h ASN 703 Ca 0.00 -0.84 0.03 0.00 -0.55 0.00 0.00 56.30 54.94 2x0s h ASN 703 Cb 0.58 -0.06 -0.05 0.00 0.05 0.00 0.00 38.32 38.84 2x0s h ASN 703 CO 0.00 1.34 -0.29 -0.03 -1.65 0.00 0.00 177.43 176.81 2x0s h MET 704 N -0.71 -0.43 -0.48 0.81 4.05 0.19 0.39 114.93 118.75 2x0s h MET 704 Ca -0.18 0.03 0.10 0.00 -0.28 0.00 0.00 59.70 59.36 2x0s h MET 704 Cb 1.38 0.10 -0.09 0.00 -0.80 0.00 0.00 31.60 32.19 2x0s h MET 704 CO -0.01 -0.29 -0.14 1.96 0.23 0.00 0.00 176.91 178.67 2x0s h GLN 705 N -0.45 -0.02 -0.06 0.39 4.20 -0.76 0.31 115.11 118.72 2x0s h GLN 705 Ca 0.06 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 2x0s h GLN 705 Cb 0.52 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 2x0s h GLN 705 CO -0.23 -0.02 -0.24 0.28 -0.67 0.00 0.00 178.83 177.95 2x0s h VAL 706 N -0.02 1.20 0.15 -0.54 2.07 -0.20 -1.51 116.25 117.39 2x0s h VAL 706 Ca 0.23 -0.94 -0.23 0.00 0.82 0.00 0.00 66.70 66.58 2x0s h VAL 706 Cb 0.38 1.42 0.02 0.00 -1.52 0.00 0.00 31.29 31.58 2x0s h VAL 706 CO -0.51 0.28 -1.09 0.08 0.02 0.00 0.00 177.57 176.35 2x0s h ARG 707 N 0.10 0.31 -1.00 1.57 0.11 -0.34 -2.50 114.38 112.62 2x0s h ARG 707 Ca 0.02 -0.53 0.40 0.00 0.10 0.00 0.00 59.98 59.97 2x0s h ARG 707 Cb 0.48 0.20 -0.18 0.00 1.11 0.00 0.00 29.97 31.58 2x0s h ARG 707 CO 0.03 1.25 0.50 0.00 0.10 0.00 0.00 179.97 181.85 2x0s h ALA 708 N 0.05 2.06 -0.66 0.08 0.00 -0.03 1.13 119.26 121.89 2x0s h ALA 708 Ca -0.21 0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2x0s h ALA 708 Cb 1.74 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.87 2x0s h ALA 708 CO 0.13 -0.88 0.00 -0.89 0.00 0.00 0.00 179.25 177.61 2x0s n ILE 709 N -5.26 0.00 0.29 0.00 2.08 -0.60 -2.80 119.36 113.07 2x0s n ILE 709 Ca 0.36 0.95 0.19 0.00 0.56 0.00 0.00 62.75 64.81 2x0s n ILE 709 Cb 1.21 -1.85 1.01 0.00 -0.75 0.00 0.00 39.64 39.26 2x0s n ILE 709 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 2x0s h ILE 710 N 0.00 0.00 0.15 1.39 1.08 -0.80 1.14 117.51 120.47 2x0s h ILE 710 Ca 0.00 -0.03 -0.01 0.00 -0.39 0.00 0.00 64.86 64.43 2x0s h ILE 710 Cb 0.00 0.88 0.00 0.00 -3.07 0.00 0.00 36.82 34.63 2x0s h ILE 710 CO 0.00 0.00 -0.07 -0.33 -0.69 0.00 0.00 178.15 177.06 2x0s h GLU 711 N 0.00 -0.19 -1.15 2.37 4.39 0.11 -2.25 114.58 117.86 2x0s h GLU 711 Ca 0.00 0.01 0.34 0.00 0.34 0.00 0.00 59.36 60.06 2x0s h GLU 711 Cb 0.03 0.04 -0.11 0.00 -0.10 0.00 0.00 28.75 28.61 2x0s h GLU 711 CO 0.00 -0.13 0.73 0.00 -1.16 0.00 0.00 179.01 178.45 2x0s h ALA 712 N -1.74 2.41 -0.43 3.43 0.00 -1.04 -1.66 119.26 120.24 2x0s h ALA 712 Ca -0.02 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2x0s h ALA 712 Cb 0.15 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2x0s h ALA 712 CO 0.03 -0.93 0.02 0.00 0.00 0.00 0.00 179.25 178.37 2x0s h ALA 713 N 1.64 0.57 -0.01 0.00 0.00 0.13 -2.72 119.26 118.88 2x0s h ALA 713 Ca 0.70 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 55.17 2x0s h ALA 713 Cb 1.97 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 2x0s h ALA 713 CO -0.38 0.34 -0.85 0.97 0.00 0.00 0.00 179.25 179.32 2x0s h ILE 714 N 0.58 1.47 0.39 0.00 2.10 -0.70 -3.09 117.51 118.27 2x0s h ILE 714 Ca 0.12 -2.54 -0.01 0.00 1.08 0.00 0.00 64.86 63.52 2x0s h ILE 714 Cb 0.45 2.41 -0.03 0.00 -1.09 0.00 0.00 36.82 38.56 2x0s h ILE 714 CO 0.02 0.74 -0.51 0.00 -1.08 0.00 0.00 178.15 177.32 2x0s h ALA 715 N 0.97 -1.09 -0.72 0.18 0.00 -1.23 -2.54 119.26 114.82 2x0s h ALA 715 Ca -0.04 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.80 2x0s h ALA 715 Cb 1.47 0.78 -0.07 0.00 0.00 0.00 0.00 17.79 19.96 2x0s h ALA 715 CO 0.13 -1.16 0.36 0.28 0.00 0.00 0.00 179.25 178.86 2x0s h VAL 716 N -0.93 0.84 -0.76 0.00 2.07 -1.55 -1.80 116.25 114.12 2x0s h VAL 716 Ca -0.04 -0.21 0.17 0.00 0.82 0.00 0.00 66.70 67.44 2x0s h VAL 716 Cb 0.84 0.18 -0.13 0.00 -1.52 0.00 0.00 31.29 30.66 2x0s h VAL 716 CO -0.13 0.11 -0.03 -1.28 0.02 0.00 0.00 177.57 176.26 2x0s h SER 717 N 0.60 -0.41 -0.21 0.57 0.87 -1.37 -1.23 113.55 112.37 2x0s h SER 717 Ca 0.36 0.20 0.06 0.00 -1.23 0.00 0.00 61.79 61.18 2x0s h SER 717 Cb 0.39 0.37 -0.07 0.00 -0.44 0.00 0.00 62.40 62.65 2x0s h SER 717 CO -0.28 -0.20 -0.33 -0.33 -0.53 0.00 0.00 176.83 175.16 2x0s h GLU 718 N 0.08 -0.35 -4.70 2.24 4.39 -1.08 -3.20 114.58 111.97 2x0s h GLU 718 Ca 0.41 0.02 -0.38 0.00 0.34 0.00 0.00 59.36 59.76 2x0s h GLU 718 Cb 0.71 0.08 0.10 0.00 -0.10 0.00 0.00 28.75 29.54 2x0s h GLU 718 CO -0.69 -0.23 1.18 0.39 -1.16 0.00 0.00 179.01 178.50 2x0s n GLU 719 N -5.41 0.00 -0.58 2.33 1.02 -0.46 -4.40 120.64 113.13 2x0s n GLU 719 Ca -0.02 -0.78 -0.02 0.00 -0.02 0.00 0.00 57.16 56.32 2x0s n GLU 719 Cb 0.33 -2.24 -0.01 0.00 -0.02 0.00 0.00 31.44 29.51 2x0s n GLU 719 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x0s n GLY 720 N 4.58 0.15 2.42 0.62 0.00 -1.24 -4.83 105.19 106.88 2x0s n GLY 720 Ca 0.30 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.12 2x0s n GLY 720 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2x0s n SER 721 N 1.00 1.95 -3.94 1.61 3.41 -1.21 -5.13 113.62 111.31 2x0s n SER 721 Ca -0.02 -2.53 -0.11 0.00 -0.26 0.00 0.00 58.87 55.96 2x0s n SER 721 Cb 0.24 0.51 -0.12 0.00 -0.26 0.00 0.00 64.21 64.58 2x0s n SER 721 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2x0s s SER 722 N -2.83 0.19 -0.18 4.04 0.01 -1.26 -4.52 113.70 109.15 2x0s s SER 722 Ca 0.08 -0.27 -0.13 0.00 1.31 0.00 0.00 55.95 56.93 2x0s s SER 722 Cb 0.00 0.05 0.05 0.00 0.21 0.00 0.00 66.02 66.33 2x0s s SER 722 CO 0.06 -0.15 0.45 0.54 0.41 0.00 0.00 173.24 174.55 2x0s s VAL 723 N -0.78 -0.01 -0.17 3.43 0.11 -1.26 -0.58 120.40 121.15 2x0s s VAL 723 Ca -0.08 0.03 -0.01 0.00 -2.93 0.00 0.00 61.98 58.99 2x0s s VAL 723 Cb -0.05 -0.65 0.05 0.00 -1.53 0.00 0.00 36.38 34.19 2x0s s VAL 723 CO -0.00 0.01 -0.03 0.27 -3.33 0.00 0.00 175.10 172.02 2x0s s ILE 724 N 0.75 0.91 -0.08 7.04 -4.36 -1.26 -4.64 121.20 119.56 2x0s s ILE 724 Ca -0.04 -0.56 -0.06 0.00 -0.26 0.00 0.00 60.65 59.73 2x0s s ILE 724 Cb -0.05 -1.17 -0.04 0.00 1.25 0.00 0.00 42.46 42.45 2x0s s ILE 724 CO -0.05 0.05 0.17 -2.16 0.24 0.00 0.00 174.94 173.18 2x0s s PRO 725 N 1.71 3.46 -0.41 0.37 0.05 -1.26 -2.32 135.00 136.59 2x0s s PRO 725 Ca 0.00 -0.17 0.04 0.00 0.05 0.00 0.00 61.00 60.92 2x0s s PRO 725 Cb -0.16 -3.16 0.11 0.00 0.05 0.00 0.00 34.50 31.35 2x0s s PRO 725 CO -0.07 0.74 0.13 -1.21 0.05 0.00 0.00 177.00 176.64 2x0s s GLU 726 N -1.35 1.68 -0.17 4.56 2.02 0.77 -2.71 118.70 123.51 2x0s s GLU 726 Ca 0.20 -2.17 -0.29 0.00 0.02 0.00 0.00 54.97 52.72 2x0s s GLU 726 Cb -0.12 -3.26 -0.04 0.00 0.10 0.00 0.00 34.13 30.81 2x0s s GLU 726 CO 0.09 -1.01 1.75 0.42 0.02 0.00 0.00 175.26 176.54 2x0s s ILE 727 N 0.43 3.50 -0.08 -1.63 -1.09 -0.09 -1.66 121.20 120.58 2x0s s ILE 727 Ca 0.13 0.56 0.02 0.00 -2.23 0.00 0.00 60.65 59.14 2x0s s ILE 727 Cb -0.22 -3.49 -0.02 0.00 -1.58 0.00 0.00 42.46 37.15 2x0s s ILE 727 CO -0.05 -0.19 -0.13 -0.32 -1.23 0.00 0.00 174.94 173.02 2x0s s MET 728 N 4.80 2.79 -0.28 2.79 1.75 -0.35 -1.10 119.30 129.71 2x0s s MET 728 Ca 0.78 -0.68 -0.08 0.00 -1.25 0.00 0.00 55.69 54.46 2x0s s MET 728 Cb -0.29 -2.47 -0.01 0.00 2.84 0.00 0.00 34.83 34.89 2x0s s MET 728 CO 0.32 0.50 0.10 0.08 -0.65 0.00 0.00 175.02 175.37 2x0s s VAL 729 N -0.40 4.34 0.78 10.11 1.01 0.28 -2.27 120.40 134.24 2x0s s VAL 729 Ca 0.05 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 2x0s s VAL 729 Cb -0.12 -3.13 0.06 0.00 0.00 0.00 0.00 36.38 33.18 2x0s s VAL 729 CO 0.02 0.19 1.10 -2.84 0.00 0.00 0.00 175.10 173.58 2x0s s PRO 730 N 1.59 2.17 0.00 2.72 0.02 -1.26 -2.33 135.00 137.91 2x0s s PRO 730 Ca 0.05 1.24 0.00 0.00 0.02 0.00 0.00 61.00 62.31 2x0s s PRO 730 Cb -0.16 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.48 2x0s s PRO 730 CO 0.04 -1.72 0.00 -0.11 -0.33 0.00 0.00 177.00 174.89 2x0s n LEU 731 N -3.48 0.83 -4.71 -5.54 7.94 -1.26 -3.12 117.00 107.66 2x0s n LEU 731 Ca 0.10 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.57 2x0s n LEU 731 Cb 0.53 -2.08 -0.02 0.00 0.53 0.00 0.00 43.42 42.37 2x0s n LEU 731 CO 0.52 -0.79 1.21 0.52 -1.11 0.00 0.00 177.39 177.74 2x0s n VAL 732 N -2.15 0.68 0.00 1.96 0.31 -1.26 -4.80 118.33 113.07 2x0s n VAL 732 Ca 0.00 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2x0s n VAL 732 Cb 0.38 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 2x0s n VAL 732 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2x0s n GLY 733 N 2.67 0.00 3.08 2.92 0.00 -1.26 -4.55 105.19 108.05 2x0s n GLY 733 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 2x0s n GLY 733 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x0s s LYS 734 N -1.93 1.28 0.18 1.61 2.20 -1.26 -3.77 119.74 118.05 2x0s s LYS 734 Ca 0.00 -0.47 0.15 0.00 -0.36 0.00 0.00 55.97 55.29 2x0s s LYS 734 Cb 0.00 -1.18 0.58 0.00 -1.51 0.00 0.00 37.83 35.72 2x0s s LYS 734 CO 0.00 0.22 0.55 1.17 -0.36 0.00 0.00 175.35 176.93 2x0s n LYS 735 N 3.05 -0.01 -0.01 4.03 0.00 -1.26 0.95 118.16 124.91 2x0s n LYS 735 Ca -0.17 0.41 0.07 0.00 0.00 0.00 0.00 58.31 58.61 2x0s n LYS 735 Cb 0.54 -0.88 -0.12 0.00 0.00 0.00 0.00 35.03 34.58 2x0s n LYS 735 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2x0s n GLU 736 N -2.95 0.55 -0.31 1.64 4.71 -1.26 -2.61 120.64 120.41 2x0s n GLU 736 Ca 0.15 -0.13 0.07 0.00 -0.01 0.00 0.00 57.16 57.24 2x0s n GLU 736 Cb 0.65 -1.37 0.23 0.00 -1.01 0.00 0.00 31.44 29.94 2x0s n GLU 736 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 2x0s h GLU 737 N 0.00 0.66 0.20 3.49 4.81 0.17 -2.88 114.58 121.03 2x0s h GLU 737 Ca -0.03 -0.04 -0.33 0.00 -0.13 0.00 0.00 59.36 58.83 2x0s h GLU 737 Cb 0.79 -0.15 0.02 0.00 0.63 0.00 0.00 28.75 30.04 2x0s h GLU 737 CO 0.00 0.43 -1.54 1.25 -0.73 0.00 0.00 179.01 178.42 2x0s h LEU 738 N 0.68 0.66 -2.09 1.64 5.85 -1.60 -3.35 115.31 117.09 2x0s h LEU 738 Ca 0.47 -0.80 0.05 0.00 0.84 0.00 0.00 57.88 58.44 2x0s h LEU 738 Cb 0.65 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2x0s h LEU 738 CO -0.35 1.65 0.15 -1.28 -0.34 0.00 0.00 178.44 178.27 2x0s h SER 739 N 0.12 0.00 0.04 1.25 0.87 -1.28 -1.01 113.55 113.54 2x0s h SER 739 Ca -0.27 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2x0s h SER 739 Cb 2.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.07 2x0s h SER 739 CO 0.22 0.00 -0.02 -0.07 -0.53 0.00 0.00 176.83 176.43 2x0s h LEU 740 N 0.00 -0.04 -1.39 2.23 3.38 -1.70 -3.27 115.31 114.51 2x0s h LEU 740 Ca 0.09 -0.28 0.31 0.00 0.09 0.00 0.00 57.88 58.09 2x0s h LEU 740 Cb 0.39 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.05 2x0s h LEU 740 CO -0.00 0.58 0.72 0.40 0.09 0.00 0.00 178.44 180.23 2x0s h ILE 741 N -1.00 0.42 0.55 1.22 1.08 -1.59 -1.67 117.51 116.51 2x0s h ILE 741 Ca -0.01 -0.10 -0.02 0.00 -0.39 0.00 0.00 64.86 64.34 2x0s h ILE 741 Cb 0.32 0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.16 2x0s h ILE 741 CO 0.01 0.05 -0.38 -0.09 -0.69 0.00 0.00 178.15 177.05 2x0s h ARG 742 N 0.30 -0.85 0.00 2.37 2.43 -1.24 -0.03 114.38 117.35 2x0s h ARG 742 Ca 0.65 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.88 2x0s h ARG 742 Cb 1.80 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 31.54 2x0s h ARG 742 CO -0.32 -0.57 0.00 1.05 -1.51 0.00 0.00 179.97 178.62 2x0s h GLU 743 N -0.89 0.00 0.00 0.20 4.11 -1.55 0.18 114.58 116.63 2x0s h GLU 743 Ca -0.07 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.31 2x0s h GLU 743 Cb 0.72 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2x0s h GLU 743 CO 0.04 0.00 -0.22 1.49 0.07 0.00 0.00 179.01 180.40 2x0s h GLU 744 N 0.00 0.00 0.00 1.06 4.57 -0.31 -0.54 114.58 119.36 2x0s h GLU 744 Ca 0.00 0.00 -0.40 0.00 -1.18 0.00 0.00 59.36 57.78 2x0s h GLU 744 Cb 0.29 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.81 2x0s h GLU 744 CO 0.00 0.22 -2.46 1.55 -1.18 0.00 0.00 179.01 177.14 2x0s n VAL 745 N -3.35 1.46 0.34 0.32 3.14 -0.14 -4.06 118.33 116.04 2x0s n VAL 745 Ca 0.00 -0.50 0.19 0.00 -2.96 0.00 0.00 64.34 61.08 2x0s n VAL 745 Cb 0.45 -1.53 1.04 0.00 -1.06 0.00 0.00 33.84 32.74 2x0s n VAL 745 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 2x0s h VAL 746 N -0.28 0.00 0.00 1.55 2.07 -0.77 0.19 116.25 119.02 2x0s h VAL 746 Ca -0.60 0.00 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2x0s h VAL 746 Cb 1.79 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 2x0s h VAL 746 CO -0.18 0.00 0.00 2.29 0.02 0.00 0.00 177.57 179.70 2x0s n LYS 747 N -2.99 0.00 -0.32 1.57 2.85 -0.21 -1.61 118.16 117.45 2x0s n LYS 747 Ca -0.03 0.46 0.17 0.00 -1.05 0.00 0.00 58.31 57.86 2x0s n LYS 747 Cb 0.21 -1.25 0.36 0.00 -0.65 0.00 0.00 35.03 33.70 2x0s n LYS 747 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 2x0s h THR 748 N 0.00 0.42 -0.07 0.58 2.02 -1.48 0.91 112.91 115.30 2x0s h THR 748 Ca 0.00 -0.14 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 2x0s h THR 748 Cb 0.00 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.40 2x0s h THR 748 CO 0.00 0.07 -0.10 0.00 0.37 0.00 0.00 175.52 175.86 2x0s h ALA 749 N 1.76 0.10 0.00 6.16 0.00 -0.77 -1.95 119.26 124.57 2x0s h ALA 749 Ca 0.62 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2x0s h ALA 749 Cb 1.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2x0s h ALA 749 CO -0.55 -0.04 0.00 0.93 0.00 0.00 0.00 179.25 179.59 2x0s h GLU 750 N -0.28 0.00 0.13 0.00 4.39 -0.34 -1.11 114.58 117.37 2x0s h GLU 750 Ca 0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 2x0s h GLU 750 Cb 0.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 2x0s h GLU 750 CO 0.02 0.00 -0.06 0.00 -1.16 0.00 0.00 179.01 177.81 2x0s h ALA 751 N 2.04 -0.17 -0.85 3.43 0.00 -0.73 -2.34 119.26 120.64 2x0s h ALA 751 Ca 0.00 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.85 2x0s h ALA 751 Cb 0.43 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 2x0s h ALA 751 CO 0.00 -0.19 0.47 0.28 0.00 0.00 0.00 179.25 179.81 2x0s h VAL 752 N -0.98 0.83 -0.69 0.00 2.07 -1.23 0.17 116.25 116.42 2x0s h VAL 752 Ca -0.02 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2x0s h VAL 752 Cb 0.42 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 2x0s h VAL 752 CO 0.03 0.13 0.45 0.40 0.02 0.00 0.00 177.57 178.60 2x0s h ILE 753 N 0.73 1.18 -0.07 4.57 5.03 -1.30 -1.07 117.51 126.58 2x0s h ILE 753 Ca 0.44 -0.35 -0.03 0.00 -0.12 0.00 0.00 64.86 64.80 2x0s h ILE 753 Cb 0.51 0.18 -0.00 0.00 -3.03 0.00 0.00 36.82 34.48 2x0s h ILE 753 CO -0.30 0.18 -0.08 0.71 -0.68 0.00 0.00 178.15 177.97 2x0s h THR 754 N 0.93 1.39 -0.61 -0.27 1.35 -0.53 -2.44 112.91 112.73 2x0s h THR 754 Ca 0.25 -1.29 -0.00 0.00 -0.55 0.00 0.00 66.41 64.81 2x0s h THR 754 Cb -0.09 2.10 -0.03 0.00 -1.73 0.00 0.00 68.15 68.40 2x0s h THR 754 CO -0.05 0.36 0.37 0.50 -0.25 0.00 0.00 175.52 176.44 2x0s h LYS 755 N -0.28 0.82 0.00 4.72 1.63 -0.76 -2.34 116.57 120.36 2x0s h LYS 755 Ca 0.01 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2x0s h LYS 755 Cb 0.62 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 2x0s h LYS 755 CO 0.02 0.57 -0.17 0.43 -3.45 0.00 0.00 179.45 176.86 2x0s n SER 756 N -4.41 0.54 0.00 4.20 7.64 -0.41 -4.90 113.62 116.28 2x0s n SER 756 Ca 0.06 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.33 2x0s n SER 756 Cb 0.07 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 2x0s n SER 756 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x0s n GLY 757 N 1.38 0.22 3.05 0.23 0.00 -0.88 -4.95 105.19 104.25 2x0s n GLY 757 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 2x0s n GLY 757 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x0s s LYS 758 N -1.01 0.95 0.18 1.61 1.02 -1.21 -5.04 119.74 116.24 2x0s s LYS 758 Ca 0.00 -0.39 -0.08 0.00 0.02 0.00 0.00 55.97 55.52 2x0s s LYS 758 Cb 0.00 -0.91 -0.07 0.00 -0.52 0.00 0.00 37.83 36.34 2x0s s LYS 758 CO 0.00 0.22 0.48 0.50 -0.92 0.00 0.00 175.35 175.63 2x0s s ARG 759 N -0.17 3.75 -0.17 1.68 6.06 -1.26 -4.72 118.95 124.12 2x0s s ARG 759 Ca 0.03 0.16 -0.20 0.00 -2.50 0.00 0.00 55.73 53.22 2x0s s ARG 759 Cb -0.05 -2.76 0.05 0.00 0.06 0.00 0.00 34.95 32.25 2x0s s ARG 759 CO -0.00 0.40 0.53 0.54 -2.50 0.00 0.00 175.30 174.27 2x0s s VAL 760 N -1.70 0.01 -0.43 7.11 0.11 -1.26 -5.03 120.40 119.19 2x0s s VAL 760 Ca 0.43 -0.04 -0.16 0.00 -2.93 0.00 0.00 61.98 59.28 2x0s s VAL 760 Cb -0.12 -0.77 0.03 0.00 -1.53 0.00 0.00 36.38 34.00 2x0s s VAL 760 CO 0.22 -0.02 0.37 -1.00 -3.33 0.00 0.00 175.10 171.34 2x0s s HIS 761 N -0.02 3.21 0.36 1.54 0.09 -1.26 -5.05 115.29 114.16 2x0s s HIS 761 Ca -0.02 -0.61 0.07 0.00 -0.00 0.00 0.00 55.06 54.50 2x0s s HIS 761 Cb -0.04 -2.86 -0.02 0.00 -0.00 0.00 0.00 32.58 29.67 2x0s s HIS 761 CO 0.02 -0.69 0.33 1.52 -0.00 0.00 0.00 174.74 175.92 2x0s s TYR 762 N 1.84 2.86 -0.02 1.40 -0.85 -1.26 -4.13 117.35 117.19 2x0s s TYR 762 Ca 0.07 -0.35 -0.01 0.00 -0.52 0.00 0.00 57.07 56.27 2x0s s TYR 762 Cb -0.20 -1.91 0.02 0.00 0.38 0.00 0.00 41.96 40.25 2x0s s TYR 762 CO 0.10 0.09 0.04 0.95 -1.52 0.00 0.00 175.55 175.20 2x0s s THR 763 N -2.34 -0.03 -0.12 -3.49 -4.23 -1.10 -5.02 115.64 99.31 2x0s s THR 763 Ca 0.43 0.09 -0.06 0.00 -1.18 0.00 0.00 61.69 60.98 2x0s s THR 763 Cb -0.05 -0.07 -0.04 0.00 1.34 0.00 0.00 72.50 73.67 2x0s s THR 763 CO 0.27 0.04 0.11 -0.69 -0.54 0.00 0.00 174.62 173.81 2x0s s VAL 764 N 0.50 5.22 0.31 2.29 1.01 -1.26 -0.92 120.40 127.55 2x0s s VAL 764 Ca -0.04 0.10 -0.18 0.00 0.00 0.00 0.00 61.98 61.86 2x0s s VAL 764 Cb -0.06 -3.27 0.06 0.00 0.00 0.00 0.00 36.38 33.11 2x0s s VAL 764 CO -0.02 0.60 0.87 -0.83 0.00 0.00 0.00 175.10 175.73 2x0s s GLY 765 N -0.85 0.24 0.07 4.51 0.00 -0.26 -0.78 107.32 110.25 2x0s s GLY 765 Ca 0.14 -0.56 0.04 0.00 0.00 0.00 0.00 44.72 44.34 2x0s s GLY 765 CO 0.03 0.59 -0.10 -1.08 0.00 0.00 0.00 173.10 172.54 2x0s s THR 766 N -2.39 0.86 0.26 0.90 -1.32 -1.15 -0.56 115.64 112.25 2x0s s THR 766 Ca 0.17 -1.40 -0.29 0.00 -1.21 0.00 0.00 61.69 58.96 2x0s s THR 766 Cb -0.04 -1.07 -0.09 0.00 -1.51 0.00 0.00 72.50 69.78 2x0s s THR 766 CO 0.09 -0.43 1.22 -0.04 -2.21 0.00 0.00 174.62 173.25 2x0s s MET 767 N -2.19 4.48 -0.64 7.08 -1.94 -0.99 -2.04 119.30 123.07 2x0s s MET 767 Ca -0.01 1.98 -0.12 0.00 -1.71 0.00 0.00 55.69 55.83 2x0s s MET 767 Cb -0.07 -3.17 0.16 0.00 2.01 0.00 0.00 34.83 33.77 2x0s s MET 767 CO 0.01 -0.04 0.56 0.42 -0.01 0.00 0.00 175.02 175.95 2x0s s ILE 768 N -0.72 4.99 0.00 2.53 -1.09 0.98 -4.29 121.20 123.60 2x0s s ILE 768 Ca 0.50 -2.07 0.00 0.00 -2.23 0.00 0.00 60.65 56.85 2x0s s ILE 768 Cb -0.35 -4.17 0.00 0.00 -1.58 0.00 0.00 42.46 36.35 2x0s s ILE 768 CO 0.43 -0.91 0.00 -1.84 -1.23 0.00 0.00 174.94 171.39 2x0s n GLU 769 N 4.53 2.41 -3.13 2.79 0.28 -1.26 -1.00 120.64 125.25 2x0s n GLU 769 Ca -0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.61 2x0s n GLU 769 Cb 0.42 -0.80 -0.05 0.00 1.43 0.00 0.00 31.44 32.44 2x0s n GLU 769 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2x0s s VAL 770 N -1.38 4.94 0.31 3.84 -7.23 -1.26 -3.06 120.40 116.56 2x0s s VAL 770 Ca 0.00 1.34 0.07 0.00 -1.81 0.00 0.00 61.98 61.58 2x0s s VAL 770 Cb 0.00 -3.98 0.31 0.00 0.56 0.00 0.00 36.38 33.26 2x0s s VAL 770 CO 0.00 0.36 1.77 -0.65 -0.31 0.00 0.00 175.10 176.27 2x0s h PRO 771 N 6.04 0.70 -0.61 4.82 0.11 -1.93 -1.10 132.00 140.02 2x0s h PRO 771 Ca -0.43 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2x0s h PRO 771 Cb 1.20 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 2x0s h PRO 771 CO 0.72 0.46 0.33 -0.09 -0.21 0.00 0.00 178.00 179.21 2x0s h ARG 772 N 0.72 0.84 -0.69 1.05 2.43 -1.93 -1.24 114.38 115.56 2x0s h ARG 772 Ca 0.58 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.63 2x0s h ARG 772 Cb 0.96 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.31 2x0s h ARG 772 CO -0.38 0.62 0.29 0.00 -1.51 0.00 0.00 179.97 178.99 2x0s h ALA 773 N 1.51 0.90 0.75 2.80 0.00 -1.29 0.40 119.26 124.33 2x0s h ALA 773 Ca 0.22 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2x0s h ALA 773 Cb 0.03 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 2x0s h ALA 773 CO -0.04 0.50 -0.45 0.00 0.00 0.00 0.00 179.25 179.27 2x0s h ALA 774 N 1.13 -1.16 -0.83 0.00 0.00 -1.14 -0.96 119.26 116.31 2x0s h ALA 774 Ca 0.23 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.97 2x0s h ALA 774 Cb 0.19 0.55 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 2x0s h ALA 774 CO -0.02 -1.17 0.51 0.28 0.00 0.00 0.00 179.25 178.85 2x0s h VAL 775 N -1.12 1.03 -0.70 0.00 2.07 -1.24 -1.78 116.25 114.51 2x0s h VAL 775 Ca -0.10 -0.32 -0.37 0.00 0.82 0.00 0.00 66.70 66.73 2x0s h VAL 775 Cb 0.90 0.02 -0.21 0.00 -1.52 0.00 0.00 31.29 30.48 2x0s h VAL 775 CO 0.11 0.17 0.47 0.35 0.02 0.00 0.00 177.57 178.69 2x0s n THR 776 N -4.65 2.59 0.30 2.57 -2.24 0.12 -4.65 114.28 108.31 2x0s n THR 776 Ca 0.12 -1.41 0.18 0.00 -2.27 0.00 0.00 64.05 60.67 2x0s n THR 776 Cb 0.18 -0.68 0.93 0.00 -2.10 0.00 0.00 70.33 68.66 2x0s n THR 776 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2x0s h ALA 777 N 1.34 1.14 -0.00 6.98 0.00 -0.24 -2.61 119.26 125.86 2x0s h ALA 777 Ca 0.44 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 2x0s h ALA 777 Cb 2.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.98 2x0s h ALA 777 CO 0.80 0.05 -0.01 0.38 0.00 0.00 0.00 179.25 180.47 2x0s h ASP 778 N 0.00 0.01 -0.43 0.00 2.03 -1.83 -2.48 116.42 113.72 2x0s h ASP 778 Ca -0.00 -0.58 -0.06 0.00 -0.73 0.00 0.00 57.03 55.67 2x0s h ASP 778 Cb 0.21 -0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.69 2x0s h ASP 778 CO 0.00 0.59 0.05 0.77 -1.03 0.00 0.00 179.24 179.62 2x0s h SER 779 N -0.56 0.71 0.03 4.15 4.64 -1.87 -2.49 113.55 118.16 2x0s h SER 779 Ca 0.00 -0.28 -0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2x0s h SER 779 Cb 0.58 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2x0s h SER 779 CO 0.00 0.81 -0.00 0.40 -0.87 0.00 0.00 176.83 177.17 2x0s h ILE 780 N 0.59 0.02 0.00 0.95 2.04 -1.48 -1.81 117.51 117.82 2x0s h ILE 780 Ca 0.13 -0.02 -0.06 0.00 1.00 0.00 0.00 64.86 65.92 2x0s h ILE 780 Cb 0.42 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 2x0s h ILE 780 CO 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 178.15 177.90 2x0s h ALA 781 N 2.00 1.35 0.00 1.87 0.00 -0.96 -3.17 119.26 120.36 2x0s h ALA 781 Ca -0.00 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 2x0s h ALA 781 Cb 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2x0s h ALA 781 CO 0.00 0.33 -0.37 1.96 0.00 0.00 0.00 179.25 181.17 2x0s h GLN 782 N 0.00 0.00 -0.02 0.00 4.20 -1.45 -2.65 115.11 115.19 2x0s h GLN 782 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2x0s h GLN 782 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 2x0s h GLN 782 CO 0.03 0.37 -0.31 1.63 -0.67 0.00 0.00 178.83 179.88 2x0s n LYS 783 N -3.48 1.59 -3.81 1.46 4.76 -1.20 -5.02 118.16 112.46 2x0s n LYS 783 Ca 0.00 -1.30 -0.21 0.00 -2.87 0.00 0.00 58.31 53.93 2x0s n LYS 783 Cb 0.52 -1.46 -0.04 0.00 -1.84 0.00 0.00 35.03 32.21 2x0s n LYS 783 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2x0s s ALA 784 N -2.29 3.85 0.00 7.82 0.00 -1.00 -4.86 121.76 125.28 2x0s s ALA 784 Ca 0.21 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.53 2x0s s ALA 784 Cb 0.18 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 22.12 2x0s s ALA 784 CO 0.47 0.01 0.00 -0.25 0.00 0.00 0.00 175.76 175.99 2x0s n ASP 785 N -1.38 0.46 -3.63 0.00 8.00 0.04 -4.96 116.55 115.08 2x0s n ASP 785 Ca -0.02 -0.45 -0.05 0.00 0.71 0.00 0.00 54.79 54.98 2x0s n ASP 785 Cb 0.60 0.99 -0.02 0.00 -0.02 0.00 0.00 41.12 42.67 2x0s n ASP 785 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2x0s s PHE 786 N -1.09 -0.21 -0.08 1.24 -0.12 -1.26 -4.03 117.98 112.44 2x0s s PHE 786 Ca 0.00 0.01 0.04 0.00 -0.05 0.00 0.00 56.93 56.94 2x0s s PHE 786 Cb 0.00 0.58 -0.00 0.00 -0.63 0.00 0.00 43.02 42.97 2x0s s PHE 786 CO 0.00 -0.60 -0.23 -0.06 -0.05 0.00 0.00 175.22 174.27 2x0s s PHE 787 N -3.06 2.42 -0.16 3.49 0.08 0.77 -2.91 117.98 118.61 2x0s s PHE 787 Ca 0.09 -0.91 -0.05 0.00 0.12 0.00 0.00 56.93 56.18 2x0s s PHE 787 Cb -0.01 -1.62 -0.03 0.00 -0.57 0.00 0.00 43.02 40.79 2x0s s PHE 787 CO -0.03 -0.35 0.01 0.45 -0.10 0.00 0.00 175.22 175.20 2x0s s SER 788 N 0.21 5.19 -0.33 1.36 0.15 -0.87 0.17 113.70 119.58 2x0s s SER 788 Ca -0.14 -0.02 -0.22 0.00 0.70 0.00 0.00 55.95 56.27 2x0s s SER 788 Cb -0.16 -1.85 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 2x0s s SER 788 CO 0.07 0.18 0.72 -0.36 1.20 0.00 0.00 173.24 175.05 2x0s s PHE 789 N 0.29 3.17 -0.31 3.44 0.08 0.14 -0.02 117.98 124.76 2x0s s PHE 789 Ca -0.00 0.58 -0.01 0.00 0.12 0.00 0.00 56.93 57.61 2x0s s PHE 789 Cb -0.13 -3.20 0.17 0.00 -0.57 0.00 0.00 43.02 39.28 2x0s s PHE 789 CO 0.02 -0.61 2.16 0.41 -0.10 0.00 0.00 175.22 177.10 2x0s n GLY 790 N 4.45 4.02 0.24 4.36 0.00 -0.17 -2.73 105.19 115.36 2x0s n GLY 790 Ca 0.01 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.89 2x0s n GLY 790 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2x0s n THR 791 N 0.54 0.00 0.00 2.61 -2.24 -1.26 -0.08 114.28 113.85 2x0s n THR 791 Ca 0.31 0.82 0.00 0.00 -2.27 0.00 0.00 64.05 62.91 2x0s n THR 791 Cb 0.58 -1.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.07 2x0s n THR 791 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2x0s n ASN 792 N -2.03 0.00 -0.21 3.42 5.15 -1.26 -2.22 115.26 118.11 2x0s n ASN 792 Ca 0.00 0.72 0.02 0.00 -0.60 0.00 0.00 54.58 54.72 2x0s n ASN 792 Cb 0.82 -0.49 0.12 0.00 -0.53 0.00 0.00 39.78 39.70 2x0s n ASN 792 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 2x0s h ASP 793 N 0.00 -0.06 0.19 1.20 3.32 -0.82 0.11 116.42 120.35 2x0s h ASP 793 Ca 0.00 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2x0s h ASP 793 Cb 0.00 0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2x0s h ASP 793 CO 0.00 -0.03 0.00 0.25 -1.72 0.00 0.00 179.24 177.74 2x0s h LEU 794 N 0.23 0.00 0.01 1.55 5.85 -0.95 -0.37 115.31 121.63 2x0s h LEU 794 Ca 0.33 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.76 2x0s h LEU 794 Cb 0.52 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 2x0s h LEU 794 CO -0.45 0.00 -1.70 0.74 -0.34 0.00 0.00 178.44 176.69 2x0s h THR 795 N 0.00 0.87 -0.20 1.05 2.02 -0.32 -1.95 112.91 114.38 2x0s h THR 795 Ca 0.00 -2.71 -0.10 0.00 0.77 0.00 0.00 66.41 64.37 2x0s h THR 795 Cb 0.09 2.44 -0.00 0.00 -1.74 0.00 0.00 68.15 68.94 2x0s h THR 795 CO 0.00 0.52 -0.26 1.56 0.37 0.00 0.00 175.52 177.71 2x0s h GLN 796 N 0.00 0.54 0.09 6.66 4.20 -0.78 0.22 115.11 126.04 2x0s h GLN 796 Ca -0.28 -0.30 -0.23 0.00 0.06 0.00 0.00 58.65 57.89 2x0s h GLN 796 Cb 2.01 0.02 0.02 0.00 0.30 0.00 0.00 27.48 29.83 2x0s h GLN 796 CO 0.08 0.90 -0.95 0.52 -0.67 0.00 0.00 178.83 178.71 2x0s h MET 797 N 0.21 0.49 -0.81 1.46 2.86 -1.54 0.31 114.93 117.90 2x0s h MET 797 Ca 0.02 -0.64 0.10 0.00 -2.06 0.00 0.00 59.70 57.12 2x0s h MET 797 Cb 0.83 0.21 -0.06 0.00 0.06 0.00 0.00 31.60 32.64 2x0s h MET 797 CO 0.06 1.27 0.53 0.78 1.06 0.00 0.00 176.91 180.61 2x0s h GLY 798 N 0.01 1.08 0.00 8.32 0.00 -1.34 -3.16 103.07 107.97 2x0s h GLY 798 Ca -0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 2x0s h GLY 798 CO 0.18 0.17 -1.74 0.00 0.00 0.00 0.00 176.54 175.16 2x0s n GLY 800 N 1.63 0.87 3.15 0.00 0.00 0.61 -5.04 105.19 106.42 2x0s n GLY 800 Ca -0.04 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 2x0s n GLY 800 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x0s s PHE 801 N -2.80 3.09 -0.78 1.61 0.08 0.76 -5.01 117.98 114.94 2x0s s PHE 801 Ca 0.00 -1.79 -0.26 0.00 0.12 0.00 0.00 56.93 55.00 2x0s s PHE 801 Cb 0.00 -2.01 0.04 0.00 -0.57 0.00 0.00 43.02 40.48 2x0s s PHE 801 CO 0.00 -0.79 1.28 0.45 -0.10 0.00 0.00 175.22 176.06 2x0s s SER 802 N 1.26 6.22 0.22 1.36 0.15 -1.26 -4.34 113.70 117.31 2x0s s SER 802 Ca -0.02 -0.68 -0.14 0.00 0.70 0.00 0.00 55.95 55.81 2x0s s SER 802 Cb -0.17 -2.55 0.26 0.00 -1.71 0.00 0.00 66.02 61.85 2x0s s SER 802 CO -0.06 -1.74 1.60 -0.09 1.20 0.00 0.00 173.24 174.15 2x0s h ARG 803 N 9.93 -0.04 0.00 5.44 2.43 -1.97 0.56 114.38 130.74 2x0s h ARG 803 Ca -0.20 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 2x0s h ARG 803 Cb 1.04 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 2x0s h ARG 803 CO 1.29 -0.03 0.00 -0.25 -1.51 0.00 0.00 179.97 179.48 2x0s n ASP 804 N -5.48 0.00 -0.00 -3.80 10.43 -1.26 -1.95 116.55 114.49 2x0s n ASP 804 Ca 0.09 0.44 0.05 0.00 2.57 0.00 0.00 54.79 57.94 2x0s n ASP 804 Cb 0.38 -0.45 -0.07 0.00 1.84 0.00 0.00 41.12 42.82 2x0s n ASP 804 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 2x0s n ASP 805 N -1.45 1.13 -0.13 -2.24 8.00 0.20 -4.58 116.55 117.49 2x0s n ASP 805 Ca 0.01 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 54.99 2x0s n ASP 805 Cb 0.03 1.15 0.00 0.00 -0.02 0.00 0.00 41.12 42.28 2x0s n ASP 805 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x0s n ALA 806 N -1.44 2.23 0.20 2.24 0.00 -0.82 -4.21 120.51 118.70 2x0s n ALA 806 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 2x0s n ALA 806 Cb 0.20 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.59 2x0s n ALA 806 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2x0s h GLY 807 N 4.44 -1.04 -1.38 0.00 0.00 -1.81 -0.78 103.07 102.50 2x0s h GLY 807 Ca 0.00 0.47 0.44 0.00 0.00 0.00 0.00 47.33 48.23 2x0s h GLY 807 CO 0.00 -0.33 1.27 -2.55 0.00 0.00 0.00 176.54 174.93 2x0s h PRO 808 N -0.65 0.00 0.00 4.80 0.11 -1.97 -3.27 132.00 131.01 2x0s h PRO 808 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2x0s h PRO 808 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 2x0s h PRO 808 CO -0.02 0.00 -0.43 1.97 -0.21 0.00 0.00 178.00 179.31 2x0s n PHE 809 N -3.70 0.00 -0.11 0.65 1.16 -1.18 -4.69 117.46 109.60 2x0s n PHE 809 Ca 0.34 0.00 -0.05 0.00 -1.87 0.00 0.00 57.45 55.87 2x0s n PHE 809 Cb 1.73 0.00 0.02 0.00 -1.61 0.00 0.00 39.48 39.61 2x0s n PHE 809 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 2x0s h LEU 810 N 0.00 -0.23 -1.18 5.98 3.38 -1.19 0.48 115.31 122.56 2x0s h LEU 810 Ca 0.00 0.10 0.21 0.00 0.09 0.00 0.00 57.88 58.28 2x0s h LEU 810 Cb 0.43 0.18 -0.10 0.00 0.09 0.00 0.00 40.66 41.26 2x0s h LEU 810 CO 0.00 -0.07 0.62 0.03 0.09 0.00 0.00 178.44 179.11 2x0s h ARG 811 N 0.06 0.59 -0.21 1.13 3.08 -1.76 0.23 114.38 117.51 2x0s h ARG 811 Ca 0.18 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.12 2x0s h ARG 811 Cb 0.26 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 2x0s h ARG 811 CO -0.33 0.39 -0.18 1.25 -1.07 0.00 0.00 179.97 180.03 2x0s h HIS 812 N 0.61 0.58 -0.85 3.04 2.76 -0.52 -3.03 115.15 117.75 2x0s h HIS 812 Ca 0.57 -0.17 0.17 0.00 -2.20 0.00 0.00 60.37 58.74 2x0s h HIS 812 Cb 1.09 -0.13 -0.10 0.00 1.55 0.00 0.00 27.41 29.82 2x0s h HIS 812 CO -0.00 0.83 0.40 1.88 -1.30 0.00 0.00 177.93 179.73 2x0s h TYR 813 N 0.17 0.68 -0.68 5.26 0.05 0.16 -0.68 116.97 121.93 2x0s h TYR 813 Ca 0.04 0.04 0.12 0.00 0.05 0.00 0.00 58.73 58.98 2x0s h TYR 813 Cb 0.72 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 38.24 2x0s h TYR 813 CO 0.08 0.09 0.46 0.78 -1.05 0.00 0.00 178.16 178.51 2x0s h GLY 814 N 0.52 0.65 0.34 3.88 0.00 -1.17 0.45 103.07 107.74 2x0s h GLY 814 Ca 0.48 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 2x0s h GLY 814 CO -0.42 0.09 -0.07 3.43 0.00 0.00 0.00 176.54 179.56 2x0s h ASN 815 N 0.42 -0.17 1.39 0.19 -0.26 -1.16 -3.24 115.58 112.76 2x0s h ASN 815 Ca 0.32 -0.37 0.00 0.00 -0.56 0.00 0.00 56.30 55.69 2x0s h ASN 815 Cb 0.68 0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.99 2x0s h ASN 815 CO -0.10 0.40 0.00 0.17 -1.06 0.00 0.00 177.43 176.84 2x0s h LEU 816 N -0.86 0.00 -2.00 1.61 8.10 -1.45 -3.47 115.31 117.25 2x0s h LEU 816 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.97 2x0s h LEU 816 Cb 0.53 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.75 2x0s h LEU 816 CO 0.03 0.00 0.00 0.61 -4.11 0.00 0.00 178.44 174.97 2x0s n GLY 817 N 0.86 0.70 0.00 0.17 0.00 0.10 -5.04 105.19 101.98 2x0s n GLY 817 Ca 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2x0s n GLY 817 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2x0s n ILE 818 N -1.00 0.00 -2.97 -0.61 2.08 -0.90 -4.76 119.36 111.20 2x0s n ILE 818 Ca 0.00 0.21 -0.40 0.00 0.56 0.00 0.00 62.75 63.12 2x0s n ILE 818 Cb 0.39 -0.48 -0.04 0.00 -0.75 0.00 0.00 39.64 38.76 2x0s n ILE 818 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 2x0s s TYR 819 N -0.31 3.51 0.60 1.39 1.51 -1.26 -4.93 117.35 117.86 2x0s s TYR 819 Ca 0.00 1.25 0.31 0.00 -1.01 0.00 0.00 57.07 57.62 2x0s s TYR 819 Cb 0.00 -2.90 1.84 0.00 -0.11 0.00 0.00 41.96 40.79 2x0s s TYR 819 CO 0.00 -0.06 2.21 0.00 -1.11 0.00 0.00 175.55 176.59 2x0s h ALA 820 N 7.03 1.55 -1.70 3.71 0.00 -1.91 -3.40 119.26 124.55 2x0s h ALA 820 Ca -0.36 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.63 2x0s h ALA 820 Cb 1.17 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.72 2x0s h ALA 820 CO 0.78 -0.10 0.25 1.14 0.00 0.00 0.00 179.25 181.32 2x0s s GLN 821 N -4.57 0.50 -0.01 0.00 -2.07 -1.26 -5.00 119.66 107.25 2x0s s GLN 821 Ca -0.05 0.87 -0.00 0.00 -1.82 0.00 0.00 55.36 54.35 2x0s s GLN 821 Cb 0.15 0.11 -0.00 0.00 -1.09 0.00 0.00 33.01 32.17 2x0s s GLN 821 CO 0.52 -0.11 0.02 -3.47 -1.32 0.00 0.00 175.29 170.94 2x0s n ASP 822 N 3.94 0.00 0.00 12.60 2.03 -1.26 -4.64 116.55 129.23 2x0s n ASP 822 Ca -0.19 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.18 2x0s n ASP 822 Cb 0.58 -0.01 0.31 0.00 -0.72 0.00 0.00 41.12 41.28 2x0s n ASP 822 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2x0s n PRO 823 N 0.07 0.30 0.00 -0.67 -0.04 -1.26 0.34 135.00 133.74 2x0s n PRO 823 Ca 0.01 0.04 0.13 0.00 -0.04 0.00 0.00 63.50 63.63 2x0s n PRO 823 Cb 0.00 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.28 2x0s n PRO 823 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2x0s n PHE 824 N -1.06 0.00 -0.11 0.54 3.01 -1.26 -4.23 117.46 114.35 2x0s n PHE 824 Ca 0.07 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.33 2x0s n PHE 824 Cb 0.05 -0.16 -0.09 0.00 -0.01 0.00 0.00 39.48 39.27 2x0s n PHE 824 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 2x0s n GLN 825 N -0.92 0.50 -4.36 -1.08 -0.06 0.15 -4.64 117.38 106.98 2x0s n GLN 825 Ca 0.10 0.18 -0.21 0.00 -2.00 0.00 0.00 57.00 55.07 2x0s n GLN 825 Cb 0.35 -1.35 -0.16 0.00 -4.06 0.00 0.00 30.24 25.02 2x0s n GLN 825 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 2x0s s SER 826 N -6.69 1.22 0.26 1.69 0.15 -1.02 -4.41 113.70 104.91 2x0s s SER 826 Ca -0.31 -0.19 -0.30 0.00 0.70 0.00 0.00 55.95 55.85 2x0s s SER 826 Cb 0.10 -0.44 -0.13 0.00 -1.71 0.00 0.00 66.02 63.84 2x0s s SER 826 CO 0.43 0.03 1.32 0.00 1.20 0.00 0.00 173.24 176.22 2x0s n ILE 827 N 3.58 1.30 -2.00 6.45 3.06 -1.26 -4.24 119.36 126.25 2x0s n ILE 827 Ca -0.21 -0.33 -0.37 0.00 -2.50 0.00 0.00 62.75 59.34 2x0s n ILE 827 Cb 0.53 -1.41 -0.03 0.00 0.54 0.00 0.00 39.64 39.27 2x0s n ILE 827 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2x0s s ASP 828 N 0.04 5.18 0.15 9.51 3.68 -1.26 -4.84 116.67 129.14 2x0s s ASP 828 Ca 0.64 0.32 -0.09 0.00 2.13 0.00 0.00 52.55 55.56 2x0s s ASP 828 Cb -0.65 -2.53 -0.01 0.00 -1.45 0.00 0.00 42.92 38.28 2x0s s ASP 828 CO 0.54 -2.46 1.46 1.56 0.13 0.00 0.00 175.17 176.40 2x0s h GLN 829 N 15.08 0.80 -0.97 4.34 4.20 -1.96 -0.79 115.11 135.81 2x0s h GLN 829 Ca -0.23 -0.48 0.05 0.00 0.06 0.00 0.00 58.65 58.04 2x0s h GLN 829 Cb 1.16 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.93 2x0s h GLN 829 CO 1.21 1.11 0.63 1.49 -0.67 0.00 0.00 178.83 182.61 2x0s h GLU 830 N 0.62 1.16 0.00 1.46 4.81 -1.97 -3.25 114.58 117.41 2x0s h GLU 830 Ca 0.02 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2x0s h GLU 830 Cb 1.09 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.21 2x0s h GLU 830 CO 0.11 0.77 0.00 0.41 -0.73 0.00 0.00 179.01 179.56 2x0s n GLY 831 N -1.38 0.02 0.31 1.92 0.00 -1.18 -4.26 105.19 100.61 2x0s n GLY 831 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 2x0s n GLY 831 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2x0s h ILE 832 N 0.00 0.33 -0.64 -0.61 1.08 -1.77 0.31 117.51 116.22 2x0s h ILE 832 Ca 0.00 -0.08 0.05 0.00 -0.39 0.00 0.00 64.86 64.44 2x0s h ILE 832 Cb 0.00 0.09 -0.05 0.00 -3.07 0.00 0.00 36.82 33.79 2x0s h ILE 832 CO 0.00 0.04 0.37 1.23 -0.69 0.00 0.00 178.15 179.10 2x0s h GLY 833 N 0.22 0.92 0.46 5.37 0.00 -1.24 -2.35 103.07 106.45 2x0s h GLY 833 Ca 0.55 -0.26 0.05 0.00 0.00 0.00 0.00 47.33 47.67 2x0s h GLY 833 CO -0.64 0.19 -0.07 -2.09 0.00 0.00 0.00 176.54 173.93 2x0s h GLU 834 N 0.70 0.00 -0.79 4.80 4.57 -0.44 0.91 114.58 124.33 2x0s h GLU 834 Ca 0.27 -0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.61 2x0s h GLU 834 Cb 0.12 -0.00 -0.15 0.00 -0.16 0.00 0.00 28.75 28.56 2x0s h GLU 834 CO -0.15 0.00 -0.22 -0.07 -1.18 0.00 0.00 179.01 177.39 2x0s h LEU 835 N 0.00 -0.81 -0.22 1.64 3.38 -1.20 0.65 115.31 118.75 2x0s h LEU 835 Ca 0.13 0.24 -0.00 0.00 0.09 0.00 0.00 57.88 58.34 2x0s h LEU 835 Cb 0.20 0.51 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2x0s h LEU 835 CO -0.28 -0.27 0.14 0.58 0.09 0.00 0.00 178.44 178.70 2x0s h VAL 836 N -0.02 1.08 -0.26 1.22 2.07 -0.62 -0.80 116.25 118.92 2x0s h VAL 836 Ca 0.37 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.78 2x0s h VAL 836 Cb 0.58 0.80 -0.08 0.00 -1.52 0.00 0.00 31.29 31.08 2x0s h VAL 836 CO -0.82 0.07 -0.30 -0.09 0.02 0.00 0.00 177.57 176.46 2x0s h ARG 837 N 0.27 -0.29 -0.17 1.57 2.43 0.23 0.22 114.38 118.65 2x0s h ARG 837 Ca 0.08 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.31 2x0s h ARG 837 Cb 0.00 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 2x0s h ARG 837 CO -0.02 -0.19 -0.10 0.82 -1.51 0.00 0.00 179.97 178.97 2x0s h ILE 838 N -0.30 0.70 0.19 1.20 2.04 0.44 -2.44 117.51 119.34 2x0s h ILE 838 Ca 0.14 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.01 2x0s h ILE 838 Cb 0.52 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 2x0s h ILE 838 CO -0.43 0.00 -0.48 0.00 0.00 0.00 0.00 178.15 177.24 2x0s h ALA 839 N 1.05 -0.92 -0.70 1.87 0.00 -0.82 -2.26 119.26 117.48 2x0s h ALA 839 Ca 0.10 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.03 2x0s h ALA 839 Cb 0.24 0.79 -0.09 0.00 0.00 0.00 0.00 17.79 18.72 2x0s h ALA 839 CO -0.23 -1.08 0.25 0.28 0.00 0.00 0.00 179.25 178.48 2x0s h VAL 840 N -0.76 0.67 0.29 0.00 2.07 -0.70 -1.01 116.25 116.81 2x0s h VAL 840 Ca -0.00 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 2x0s h VAL 840 Cb 0.75 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2x0s h VAL 840 CO -0.23 0.07 -0.14 0.71 0.02 0.00 0.00 177.57 178.00 2x0s h THR 841 N 0.40 0.69 -0.04 2.57 1.35 -1.36 -2.00 112.91 114.52 2x0s h THR 841 Ca 0.38 -0.68 0.04 0.00 -0.55 0.00 0.00 66.41 65.60 2x0s h THR 841 Cb 0.56 1.02 -0.05 0.00 -1.73 0.00 0.00 68.15 67.96 2x0s h THR 841 CO -0.39 0.13 -0.24 0.11 -0.25 0.00 0.00 175.52 174.88 2x0s h LYS 842 N -0.79 -0.34 -0.55 4.72 1.57 -1.25 0.09 116.57 120.02 2x0s h LYS 842 Ca -0.04 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.87 2x0s h LYS 842 Cb 0.51 0.08 -0.10 0.00 0.08 0.00 0.00 32.23 32.80 2x0s h LYS 842 CO 0.07 -0.22 -0.05 0.78 -0.57 0.00 0.00 179.45 179.45 2x0s h GLY 843 N -0.35 0.51 2.00 3.86 0.00 -1.28 -2.15 103.07 105.67 2x0s h GLY 843 Ca 0.07 0.11 -0.08 0.00 0.00 0.00 0.00 47.33 47.44 2x0s h GLY 843 CO -0.24 -0.18 -0.36 3.21 0.00 0.00 0.00 176.54 178.96 2x0s h ARG 844 N 0.07 0.00 -0.53 4.80 3.08 -0.79 -1.57 114.38 119.44 2x0s h ARG 844 Ca 0.28 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.43 2x0s h ARG 844 Cb 0.43 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.40 2x0s h ARG 844 CO -0.50 0.36 0.03 -0.09 -1.07 0.00 0.00 179.97 178.70 2x0s h ARG 845 N 0.00 0.15 0.00 0.04 2.43 -0.32 -2.64 114.38 114.04 2x0s h ARG 845 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2x0s h ARG 845 Cb 0.81 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 2x0s h ARG 845 CO 0.05 0.10 0.00 0.28 -1.51 0.00 0.00 179.97 178.88 2x0s n VAL 846 N -5.21 0.00 -3.22 0.20 0.31 -0.92 -4.61 118.33 104.89 2x0s n VAL 846 Ca 0.07 0.52 -0.43 0.00 -0.01 0.00 0.00 64.34 64.49 2x0s n VAL 846 Cb 0.29 -1.09 -0.08 0.00 -0.91 0.00 0.00 33.84 32.06 2x0s n VAL 846 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2x0s s LYS 847 N -0.80 3.21 0.25 5.55 -0.14 -0.64 -4.94 119.74 122.24 2x0s s LYS 847 Ca 0.00 -0.54 0.13 0.00 -1.36 0.00 0.00 55.97 54.20 2x0s s LYS 847 Cb 0.00 -3.95 0.16 0.00 -1.68 0.00 0.00 37.83 32.36 2x0s s LYS 847 CO 0.00 -0.91 1.48 -1.35 -0.76 0.00 0.00 175.35 173.81 2x0s h PRO 848 N 8.78 0.00 -0.92 -1.68 0.11 -1.70 -3.17 132.00 133.41 2x0s h PRO 848 Ca -0.26 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.32 2x0s h PRO 848 Cb 1.10 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 31.93 2x0s h PRO 848 CO 0.84 0.64 0.60 -1.33 -0.21 0.00 0.00 178.00 178.54 2x0s n MET 849 N -3.42 2.38 -2.32 1.05 2.81 -1.26 -4.89 117.12 111.48 2x0s n MET 849 Ca 0.00 -3.15 -0.42 0.00 -1.81 0.00 0.00 57.70 52.32 2x0s n MET 849 Cb 0.73 -2.18 -0.03 0.00 -0.71 0.00 0.00 33.22 31.03 2x0s n MET 849 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 2x0s s LEU 850 N -3.46 4.40 -0.03 4.03 2.96 -1.20 -4.98 118.68 120.39 2x0s s LEU 850 Ca 0.58 2.22 -0.30 0.00 -0.22 0.00 0.00 54.13 56.41 2x0s s LEU 850 Cb 0.48 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.53 2x0s s LEU 850 CO 0.06 -0.49 1.28 -0.75 -1.32 0.00 0.00 176.35 175.13 2x0s s LYS 851 N 0.48 4.32 -0.03 1.98 2.47 -1.26 -4.95 119.74 122.76 2x0s s LYS 851 Ca 0.58 1.79 0.04 0.00 -1.56 0.00 0.00 55.97 56.82 2x0s s LYS 851 Cb -0.33 -3.57 -0.00 0.00 -1.46 0.00 0.00 37.83 32.47 2x0s s LYS 851 CO 0.33 -0.50 -0.15 -1.64 0.16 0.00 0.00 175.35 173.55 2x0s s MET 852 N 2.30 1.47 0.27 4.03 -1.94 -1.26 -0.16 119.30 124.01 2x0s s MET 852 Ca 0.59 -0.54 -0.02 0.00 -1.71 0.00 0.00 55.69 54.01 2x0s s MET 852 Cb -0.27 -1.33 -0.02 0.00 2.01 0.00 0.00 34.83 35.22 2x0s s MET 852 CO 0.24 0.25 0.30 0.20 -0.01 0.00 0.00 175.02 176.00 2x0s s GLY 853 N -0.05 1.45 0.10 -0.03 0.00 0.13 0.23 107.32 109.14 2x0s s GLY 853 Ca -0.01 -1.57 0.04 0.00 0.00 0.00 0.00 44.72 43.18 2x0s s GLY 853 CO 0.01 -1.17 -0.10 -1.50 0.00 0.00 0.00 173.10 170.34 2x0s s ILE 854 N -3.75 0.93 0.26 0.90 2.07 -1.13 0.23 121.20 120.72 2x0s s ILE 854 Ca 0.34 -1.65 -0.06 0.00 -1.41 0.00 0.00 60.65 57.87 2x0s s ILE 854 Cb 0.03 -1.37 -0.01 0.00 0.13 0.00 0.00 42.46 41.23 2x0s s ILE 854 CO 0.16 -0.57 0.38 0.00 -1.91 0.00 0.00 174.94 173.00 2x0s n GLY 856 N -0.41 -1.61 0.23 0.00 0.00 -1.26 -4.32 105.19 97.83 2x0s n GLY 856 Ca 0.00 -1.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.15 2x0s n GLY 856 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2x0s h GLU 857 N 0.00 0.69 -0.15 1.61 5.08 -1.90 -1.89 114.58 118.03 2x0s h GLU 857 Ca 0.00 -0.39 0.04 0.00 -1.00 0.00 0.00 59.36 58.01 2x0s h GLU 857 Cb 0.00 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2x0s h GLU 857 CO 0.00 1.01 0.12 0.45 -1.00 0.00 0.00 179.01 179.59 2x0s h HIS 858 N 0.55 0.00 -0.85 4.33 3.86 -1.80 -2.36 115.15 118.88 2x0s h HIS 858 Ca 0.03 0.00 0.17 0.00 -1.16 0.00 0.00 60.37 59.42 2x0s h HIS 858 Cb 1.02 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.43 2x0s h HIS 858 CO 0.05 0.00 0.56 0.78 0.86 0.00 0.00 177.93 180.18 2x0s h GLY 859 N 0.00 0.88 -0.31 2.45 0.00 -1.49 -1.88 103.07 102.72 2x0s h GLY 859 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2x0s h GLY 859 CO -0.00 0.03 -0.51 0.61 0.00 0.00 0.00 176.54 176.67 2x0s n GLY 860 N -1.50 -0.44 3.58 4.60 0.00 -0.89 -4.54 105.19 106.00 2x0s n GLY 860 Ca 0.17 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 2x0s n GLY 860 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2x0s s ASP 861 N -2.62 6.55 0.01 1.61 2.15 -0.71 -4.66 116.67 119.00 2x0s s ASP 861 Ca 0.18 0.30 -0.02 0.00 0.43 0.00 0.00 52.55 53.43 2x0s s ASP 861 Cb 0.18 -2.41 -0.01 0.00 -0.30 0.00 0.00 42.92 40.38 2x0s s ASP 861 CO 0.62 -0.82 0.87 -2.65 -0.17 0.00 0.00 175.17 173.02 2x0s n PRO 862 N 6.62 -0.03 -0.32 4.34 -0.02 -1.26 -0.70 135.00 143.62 2x0s n PRO 862 Ca 0.04 0.86 0.22 0.00 -2.02 0.00 0.00 63.50 62.61 2x0s n PRO 862 Cb 0.48 -1.29 0.44 0.00 -0.02 0.00 0.00 33.50 33.11 2x0s n PRO 862 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x0s h ALA 863 N -0.71 1.76 0.04 3.55 0.00 -1.95 0.61 119.26 122.55 2x0s h ALA 863 Ca 0.01 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2x0s h ALA 863 Cb 0.03 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2x0s h ALA 863 CO -0.07 -0.66 -0.02 1.15 0.00 0.00 0.00 179.25 179.65 2x0s h THR 864 N 0.17 1.25 -0.88 0.00 2.02 -1.34 -2.32 112.91 111.81 2x0s h THR 864 Ca 0.71 -0.97 0.20 0.00 0.77 0.00 0.00 66.41 67.12 2x0s h THR 864 Cb 1.65 1.89 -0.12 0.00 -1.74 0.00 0.00 68.15 69.83 2x0s h THR 864 CO -0.71 0.24 0.39 0.40 0.37 0.00 0.00 175.52 176.22 2x0s h ILE 865 N -0.49 0.53 -0.54 3.11 2.04 0.23 0.34 117.51 122.72 2x0s h ILE 865 Ca -0.01 -0.15 -0.10 0.00 1.00 0.00 0.00 64.86 65.61 2x0s h ILE 865 Cb 0.44 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 2x0s h ILE 865 CO 0.01 0.08 -0.04 1.23 0.00 0.00 0.00 178.15 179.42 2x0s h GLY 866 N 0.44 1.03 0.92 5.37 0.00 -0.43 -0.27 103.07 110.13 2x0s h GLY 866 Ca 0.53 -0.76 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 2x0s h GLY 866 CO -0.50 0.70 -0.19 -2.75 0.00 0.00 0.00 176.54 173.80 2x0s h PHE 867 N 0.86 -0.50 -0.95 5.60 3.57 -0.49 -2.42 116.94 122.62 2x0s h PHE 867 Ca 0.15 -0.01 0.24 0.00 3.53 0.00 0.00 57.97 61.88 2x0s h PHE 867 Cb 0.57 0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.41 2x0s h PHE 867 CO 0.04 -0.26 0.64 0.00 -2.23 0.00 0.00 178.31 176.49 2x0s h HIS 869 N 0.28 -0.64 -0.96 0.00 -0.00 -0.82 -1.90 115.15 111.11 2x0s h HIS 869 Ca 0.49 -0.02 0.19 0.00 -0.00 0.00 0.00 60.37 61.03 2x0s h HIS 869 Cb 1.44 0.21 -0.18 0.00 -0.00 0.00 0.00 27.41 28.89 2x0s h HIS 869 CO -0.00 -0.40 -0.26 1.63 -0.00 0.00 0.00 177.93 178.90 2x0s n LYS 870 N -4.38 -0.11 0.23 5.26 4.76 -0.93 -1.89 118.16 121.10 2x0s n LYS 870 Ca -0.09 1.50 0.11 0.00 -2.87 0.00 0.00 58.31 56.96 2x0s n LYS 870 Cb 0.27 -2.24 0.48 0.00 -1.84 0.00 0.00 35.03 31.70 2x0s n LYS 870 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2x0s h VAL 871 N 0.00 0.49 0.00 -0.18 2.07 -1.17 -3.47 116.25 113.99 2x0s h VAL 871 Ca 0.45 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2x0s h VAL 871 Cb 0.69 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 2x0s h VAL 871 CO -0.99 0.19 0.00 0.61 0.02 0.00 0.00 177.57 177.40 2x0s n GLY 872 N 0.15 1.13 3.64 2.17 0.00 -0.79 -4.96 105.19 106.53 2x0s n GLY 872 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2x0s n GLY 872 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2x0s n LEU 873 N 0.00 3.41 -0.01 0.99 4.32 -0.76 -4.96 117.00 119.99 2x0s n LEU 873 Ca 0.00 0.52 -0.22 0.00 -0.02 0.00 0.00 56.01 56.29 2x0s n LEU 873 Cb 0.00 -1.45 -0.14 0.00 -1.62 0.00 0.00 43.42 40.21 2x0s n LEU 873 CO 0.00 -2.11 -0.69 0.44 -1.22 0.00 0.00 177.39 173.81 2x0s h ASP 874 N -1.20 0.35 -5.56 -1.43 3.32 -0.55 -3.46 116.42 107.89 2x0s h ASP 874 Ca -0.45 -0.85 -0.23 0.00 0.02 0.00 0.00 57.03 55.52 2x0s h ASP 874 Cb 1.29 -0.11 -0.15 0.00 0.22 0.00 0.00 39.33 40.58 2x0s h ASP 874 CO 0.43 1.76 -0.62 -0.72 -1.72 0.00 0.00 179.24 178.37 2x0s s TYR 875 N -2.51 1.10 0.11 4.55 -0.85 -1.11 -1.83 117.35 116.81 2x0s s TYR 875 Ca -0.23 -1.35 0.07 0.00 -0.52 0.00 0.00 57.07 55.04 2x0s s TYR 875 Cb 0.06 -0.54 -0.04 0.00 0.38 0.00 0.00 41.96 41.83 2x0s s TYR 875 CO 0.74 -0.62 -0.16 0.08 -1.52 0.00 0.00 175.55 174.07 2x0s s VAL 876 N -4.14 1.42 -0.03 -3.49 1.01 0.36 -2.84 120.40 112.69 2x0s s VAL 876 Ca 0.36 -1.62 0.02 0.00 0.00 0.00 0.00 61.98 60.75 2x0s s VAL 876 Cb 0.07 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.98 2x0s s VAL 876 CO 0.10 -0.29 -0.08 -0.55 0.00 0.00 0.00 175.10 174.29 2x0s s SER 877 N -2.21 1.11 0.24 3.32 0.15 -0.77 0.89 113.70 116.42 2x0s s SER 877 Ca 0.07 -0.17 -0.09 0.00 0.70 0.00 0.00 55.95 56.46 2x0s s SER 877 Cb -0.07 -0.36 -0.02 0.00 -1.71 0.00 0.00 66.02 63.87 2x0s s SER 877 CO 0.04 0.03 0.37 0.00 1.20 0.00 0.00 173.24 174.88 2x0s s SER 879 N -3.07 5.04 0.20 0.00 1.04 -1.26 -0.46 113.70 115.20 2x0s s SER 879 Ca 0.28 2.31 -0.19 0.00 0.48 0.00 0.00 55.95 58.82 2x0s s SER 879 Cb 0.02 -2.59 0.16 0.00 0.10 0.00 0.00 66.02 63.71 2x0s s SER 879 CO 0.10 -1.69 1.44 -2.65 0.98 0.00 0.00 173.24 171.43 2x0s n PRO 880 N -1.89 -0.26 0.00 4.02 -0.02 -1.26 -0.83 135.00 134.76 2x0s n PRO 880 Ca 0.13 1.43 0.00 0.00 -2.02 0.00 0.00 63.50 63.04 2x0s n PRO 880 Cb 0.50 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 2x0s n PRO 880 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2x0s n PHE 881 N -5.33 0.00 0.00 6.00 3.72 -1.26 -1.76 117.46 118.83 2x0s n PHE 881 Ca 0.08 -0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 2x0s n PHE 881 Cb 0.35 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 2x0s n PHE 881 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2x0s n ARG 882 N 0.12 2.91 -0.08 -1.08 5.12 -0.01 -4.81 116.66 118.84 2x0s n ARG 882 Ca 0.00 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.91 2x0s n ARG 882 Cb 0.25 -0.93 -0.01 0.00 -1.16 0.00 0.00 32.46 30.61 2x0s n ARG 882 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2x0s n VAL 883 N -1.68 -0.12 0.10 1.55 0.31 -0.72 0.11 118.33 117.88 2x0s n VAL 883 Ca 0.00 0.45 -0.16 0.00 -0.01 0.00 0.00 64.34 64.63 2x0s n VAL 883 Cb 0.34 -0.58 -0.09 0.00 -0.91 0.00 0.00 33.84 32.60 2x0s n VAL 883 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2x0s h PRO 884 N 0.00 -0.68 -0.70 5.55 0.11 -1.86 0.30 132.00 134.72 2x0s h PRO 884 Ca 0.05 0.05 0.10 0.00 0.11 0.00 0.00 66.00 66.31 2x0s h PRO 884 Cb 0.09 0.15 -0.08 0.00 0.11 0.00 0.00 31.00 31.28 2x0s h PRO 884 CO -0.18 -0.45 0.31 0.28 -0.21 0.00 0.00 178.00 177.75 2x0s h VAL 885 N -0.70 0.79 0.14 3.15 2.07 0.45 -1.10 116.25 121.04 2x0s h VAL 885 Ca 0.01 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2x0s h VAL 885 Cb 0.73 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2x0s h VAL 885 CO -0.30 0.10 -0.07 0.00 0.02 0.00 0.00 177.57 177.32 2x0s h ALA 886 N 1.45 -0.19 -0.69 1.67 0.00 -0.46 0.12 119.26 121.17 2x0s h ALA 886 Ca 0.35 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 55.23 2x0s h ALA 886 Cb 0.43 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.16 2x0s h ALA 886 CO -0.31 -0.44 -0.18 0.82 0.00 0.00 0.00 179.25 179.14 2x0s h ILE 887 N -0.51 0.30 0.63 0.00 2.04 -0.01 0.25 117.51 120.21 2x0s h ILE 887 Ca -0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 2x0s h ILE 887 Cb 0.40 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2x0s h ILE 887 CO 0.03 0.00 -0.39 0.58 0.00 0.00 0.00 178.15 178.38 2x0s h VAL 888 N -0.01 0.00 -1.19 1.67 2.07 -0.96 -2.48 116.25 115.35 2x0s h VAL 888 Ca 0.33 0.00 0.34 0.00 0.82 0.00 0.00 66.70 68.19 2x0s h VAL 888 Cb 0.51 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.21 2x0s h VAL 888 CO -0.71 0.00 0.82 0.00 0.02 0.00 0.00 177.57 177.70 2x0s h ALA 889 N -1.35 2.82 0.02 1.67 0.00 0.08 0.58 119.26 123.09 2x0s h ALA 889 Ca -0.09 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2x0s h ALA 889 Cb 0.76 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2x0s h ALA 889 CO 0.09 -1.23 -0.01 0.00 0.00 0.00 0.00 179.25 178.10 2x0s h ALA 890 N 1.48 -0.48 -1.38 0.00 0.00 -0.39 -1.76 119.26 116.73 2x0s h ALA 890 Ca 0.62 -0.01 0.43 0.00 0.00 0.00 0.00 54.91 55.95 2x0s h ALA 890 Cb 2.12 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.82 2x0s h ALA 890 CO -0.15 -0.48 0.93 0.00 0.00 0.00 0.00 179.25 179.55 2x0s h ALA 891 N -1.96 2.92 -0.59 0.00 0.00 -1.01 0.72 119.26 119.34 2x0s h ALA 891 Ca -0.00 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2x0s h ALA 891 Cb 0.02 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2x0s h ALA 891 CO 0.01 -1.47 0.19 0.45 0.00 0.00 0.00 179.25 178.42 2x0s h HIS 892 N 0.10 0.94 -0.02 0.00 3.86 0.21 0.20 115.15 120.44 2x0s h HIS 892 Ca 0.78 -0.09 -0.15 0.00 -1.16 0.00 0.00 60.37 59.74 2x0s h HIS 892 Cb 2.61 -0.27 0.01 0.00 1.06 0.00 0.00 27.41 30.82 2x0s h HIS 892 CO -0.00 0.78 -0.59 0.00 0.86 0.00 0.00 177.93 178.98 2x0s h ALA 893 N 1.05 0.10 -0.60 2.45 0.00 0.12 -2.76 119.26 119.62 2x0s h ALA 893 Ca 0.19 -0.56 0.04 0.00 0.00 0.00 0.00 54.91 54.58 2x0s h ALA 893 Cb 0.28 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2x0s h ALA 893 CO -0.01 0.36 0.34 1.03 0.00 0.00 0.00 179.25 180.97 2x0s h SER 894 N -0.05 0.51 -0.14 0.00 0.87 -0.46 -2.27 113.55 112.02 2x0s h SER 894 Ca -0.07 0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.53 2x0s h SER 894 Cb 1.29 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 63.14 2x0s h SER 894 CO 0.12 0.35 -0.00 0.40 -0.53 0.00 0.00 176.83 177.16 2x0s h ILE 895 N 0.64 0.90 -0.47 2.23 2.04 -0.60 -1.69 117.51 120.56 2x0s h ILE 895 Ca 0.26 -0.01 0.05 0.00 1.00 0.00 0.00 64.86 66.15 2x0s h ILE 895 Cb 0.11 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 2x0s h ILE 895 CO -0.15 0.01 0.20 0.11 0.00 0.00 0.00 178.15 178.32 2x0s h LYS 896 N 0.04 0.39 0.18 2.37 1.57 -1.18 -2.84 116.57 117.11 2x0s h LYS 896 Ca 0.06 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2x0s h LYS 896 Cb 0.08 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2x0s h LYS 896 CO -0.11 0.26 -0.15 -0.44 -0.57 0.00 0.00 179.45 178.44 2x0s h ASP 897 N 0.40 -0.39 -1.06 0.86 3.32 -1.14 -1.54 116.42 116.88 2x0s h ASP 897 Ca 0.22 0.03 0.28 0.00 0.02 0.00 0.00 57.03 57.58 2x0s h ASP 897 Cb 0.17 0.13 -0.10 0.00 0.22 0.00 0.00 39.33 39.75 2x0s h ASP 897 CO -0.19 -0.23 0.67 0.03 -1.72 0.00 0.00 179.24 177.80 2x0s h ARG 898 N -0.35 0.38 0.01 3.56 3.08 -1.08 -0.56 114.38 119.41 2x0s h ARG 898 Ca -0.01 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 2x0s h ARG 898 Cb 0.31 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.29 2x0s h ARG 898 CO -0.02 0.25 -0.42 0.00 -1.07 0.00 0.00 179.97 178.71 2x0s h ARG 899 N 0.40 0.28 -0.60 0.04 3.08 -1.26 -3.25 114.38 113.06 2x0s h ARG 899 Ca 0.63 -0.31 0.10 0.00 0.07 0.00 0.00 59.98 60.47 2x0s h ARG 899 Cb 1.56 0.09 -0.07 0.00 0.08 0.00 0.00 29.97 31.62 2x0s h ARG 899 CO -0.35 1.02 0.20 0.00 -1.07 0.00 0.00 179.97 179.77 2x0s h ALA 900 N 0.27 0.76 0.00 0.04 0.00 -0.31 -1.05 119.26 118.97 2x0s h ALA 900 Ca -0.05 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2x0s h ALA 900 Cb 1.17 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2x0s h ALA 900 CO 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.11 2x0s n ALA 901 N -2.49 2.38 -0.49 0.00 0.00 -0.31 -2.75 120.51 116.83 2x0s n ALA 901 Ca 0.08 -0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.55 2x0s n ALA 901 Cb 0.28 -1.20 0.33 0.00 0.00 0.00 0.00 19.45 18.86 2x0s n ALA 901 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2x0s n MET 902 N -0.74 3.23 0.00 0.00 2.00 -0.40 -5.08 117.12 116.13 2x0s n MET 902 Ca 0.09 -2.73 0.00 0.00 0.00 0.00 0.00 57.70 55.06 2x0s n MET 902 Cb 0.04 -1.71 0.00 0.00 0.00 0.00 0.00 33.22 31.55 2x0s n MET 902 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60