#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3f s ALA 2 N 0.00 2.64 0.16 0.00 0.00 -1.26 -4.89 121.76 118.41 3h3f s ALA 2 Ca 0.00 0.65 -0.05 0.00 0.00 0.00 0.00 51.96 52.56 3h3f s ALA 2 Cb 0.00 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.82 3h3f s ALA 2 CO 0.00 -0.91 1.43 1.25 0.00 0.00 0.00 175.76 177.53 3h3f h LEU 3 N 0.72 0.67 -1.69 0.00 5.85 -2.03 -2.19 115.31 116.65 3h3f h LEU 3 Ca -0.48 -0.40 0.11 0.00 0.84 0.00 0.00 57.88 57.94 3h3f h LEU 3 Cb 1.25 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 3h3f h LEU 3 CO 0.56 1.15 0.40 0.50 -0.34 0.00 0.00 178.44 180.72 3h3f h LYS 4 N 0.42 0.34 0.00 1.25 3.64 -1.96 -1.89 116.57 118.37 3h3f h LYS 4 Ca -0.02 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 3h3f h LYS 4 Cb 1.24 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 3h3f h LYS 4 CO 0.12 0.22 -1.66 -0.25 -2.27 0.00 0.00 179.45 175.62 3h3f n ASP 5 N -4.46 0.43 0.22 4.20 10.43 -1.08 -1.33 116.55 124.96 3h3f n ASP 5 Ca 0.10 0.18 0.09 0.00 2.57 0.00 0.00 54.79 57.73 3h3f n ASP 5 Cb 0.42 1.00 0.47 0.00 1.84 0.00 0.00 41.12 44.85 3h3f n ASP 5 CO 0.00 0.00 0.00 1.56 -1.07 0.00 0.00 177.20 177.69 3h3f h GLN 6 N 0.00 0.00 0.05 -1.24 4.20 -1.21 -3.35 115.11 113.55 3h3f h GLN 6 Ca -0.12 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.23 3h3f h GLN 6 Cb 1.33 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.07 3h3f h GLN 6 CO 0.02 0.24 -2.04 -0.11 -0.67 0.00 0.00 178.83 176.26 3h3f n LEU 7 N -3.46 2.44 -4.36 1.46 7.94 -0.73 -4.94 117.00 115.35 3h3f n LEU 7 Ca -0.00 0.19 -0.33 0.00 -1.11 0.00 0.00 56.01 54.76 3h3f n LEU 7 Cb 0.42 -0.99 -0.14 0.00 0.53 0.00 0.00 43.42 43.23 3h3f n LEU 7 CO 0.33 0.70 -0.45 -0.63 -1.11 0.00 0.00 177.39 176.24 3h3f s ILE 8 N -2.50 3.02 -0.38 1.96 -1.09 -0.44 -5.08 121.20 116.68 3h3f s ILE 8 Ca -0.29 -0.67 -0.20 0.00 -2.23 0.00 0.00 60.65 57.25 3h3f s ILE 8 Cb 0.08 -2.26 0.01 0.00 -1.58 0.00 0.00 42.46 38.71 3h3f s ILE 8 CO 0.65 0.52 0.61 -2.28 -1.23 0.00 0.00 174.94 173.21 3h3f s HIS 9 N 0.36 3.13 0.26 3.97 5.65 -1.26 -4.43 115.29 122.96 3h3f s HIS 9 Ca -0.11 0.17 -0.30 0.00 0.25 0.00 0.00 55.06 55.07 3h3f s HIS 9 Cb -0.16 -3.17 -0.09 0.00 -1.18 0.00 0.00 32.58 27.98 3h3f s HIS 9 CO 0.06 -0.69 1.16 1.21 -0.65 0.00 0.00 174.74 175.82 3h3f s ASN 10 N 1.86 7.14 0.00 9.88 2.47 -1.26 -4.92 114.94 130.11 3h3f s ASN 10 Ca 0.23 2.31 0.05 0.00 0.42 0.00 0.00 52.86 55.87 3h3f s ASN 10 Cb -0.15 -2.62 0.05 0.00 -1.45 0.00 0.00 41.25 37.08 3h3f s ASN 10 CO 0.16 -0.27 0.70 -0.11 -3.72 0.00 0.00 177.10 173.86 3h3f n LEU 11 N 1.57 1.51 0.00 3.21 7.94 -1.26 -5.05 117.00 124.92 3h3f n LEU 11 Ca 0.01 -1.10 0.00 0.00 -1.11 0.00 0.00 56.01 53.81 3h3f n LEU 11 Cb 0.44 -0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.38 3h3f n LEU 11 CO 0.55 0.33 0.00 -0.11 -1.11 0.00 0.00 177.39 177.05 3h3f n LEU 12 N 0.25 0.00 -3.70 -1.96 7.94 -1.26 -5.16 117.00 113.11 3h3f n LEU 12 Ca 0.03 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 54.70 3h3f n LEU 12 Cb 0.15 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 43.92 3h3f n LEU 12 CO 0.03 0.00 -0.36 -0.54 -1.11 0.00 0.00 177.39 175.42 3h3f s LYS 13 N -1.96 0.31 -0.91 1.96 1.02 -1.26 -5.01 119.74 113.89 3h3f s LYS 13 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 55.97 56.04 3h3f s LYS 13 Cb 0.00 -1.24 0.00 0.00 -0.52 0.00 0.00 37.83 36.07 3h3f s LYS 13 CO 0.00 -0.45 0.00 0.39 -0.92 0.00 0.00 175.35 174.37 3h3f n GLU 14 N 5.20 -0.64 -1.27 1.68 -0.58 -1.26 -4.95 120.64 118.82 3h3f n GLU 14 Ca -0.06 0.73 -0.38 0.00 -0.42 0.00 0.00 57.16 57.03 3h3f n GLU 14 Cb 0.49 -4.63 -0.03 0.00 -0.57 0.00 0.00 31.44 26.70 3h3f n GLU 14 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3h3f n GLU 15 N -2.53 2.41 -3.46 3.49 4.71 -1.26 -4.90 120.64 119.09 3h3f n GLU 15 Ca -0.09 -2.06 -0.43 0.00 -0.01 0.00 0.00 57.16 54.57 3h3f n GLU 15 Cb 0.36 -2.92 -0.05 0.00 -1.01 0.00 0.00 31.44 27.82 3h3f n GLU 15 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 3h3f s HIS 16 N 3.64 3.56 -0.24 -0.32 2.46 -1.26 -5.01 115.29 118.12 3h3f s HIS 16 Ca 0.53 -2.08 -0.03 0.00 0.47 0.00 0.00 55.06 53.95 3h3f s HIS 16 Cb 0.14 -3.61 0.01 0.00 -0.13 0.00 0.00 32.58 29.00 3h3f s HIS 16 CO -0.01 -0.96 -0.05 0.54 -2.47 0.00 0.00 174.74 171.80 3h3f s VAL 17 N 0.47 3.07 0.66 0.89 0.11 -1.26 -5.11 120.40 119.23 3h3f s VAL 17 Ca 0.14 -0.83 -0.17 0.00 -2.93 0.00 0.00 61.98 58.18 3h3f s VAL 17 Cb -0.18 -2.50 -0.00 0.00 -1.53 0.00 0.00 36.38 32.17 3h3f s VAL 17 CO -0.05 0.27 1.24 -2.16 -3.33 0.00 0.00 175.10 171.07 3h3f s PRO 18 N 1.38 2.55 -0.27 1.54 0.04 -1.26 -4.98 135.00 134.01 3h3f s PRO 18 Ca 0.02 1.89 -0.10 0.00 0.04 0.00 0.00 61.00 62.85 3h3f s PRO 18 Cb -0.16 -1.87 -0.14 0.00 0.04 0.00 0.00 34.50 32.38 3h3f s PRO 18 CO -0.04 -1.55 -0.28 1.04 0.04 0.00 0.00 177.00 176.21 3h3f n GLN 19 N -2.07 0.61 -3.06 4.56 1.13 -1.26 -4.72 117.38 112.57 3h3f n GLN 19 Ca 0.14 0.25 -0.29 0.00 -1.94 0.00 0.00 57.00 55.17 3h3f n GLN 19 Cb 0.49 -1.52 -0.05 0.00 0.11 0.00 0.00 30.24 29.28 3h3f n GLN 19 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3h3f n ASN 20 N -4.00 4.60 -4.83 1.08 3.02 -1.26 -4.87 115.26 109.00 3h3f n ASN 20 Ca -0.51 -3.61 -0.35 0.00 -0.03 0.00 0.00 54.58 50.08 3h3f n ASN 20 Cb 0.91 -0.67 -0.06 0.00 -0.61 0.00 0.00 39.78 39.34 3h3f n ASN 20 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3h3f s LYS 21 N -3.22 4.12 0.04 3.52 2.20 -1.26 -1.32 119.74 123.81 3h3f s LYS 21 Ca 0.45 0.71 0.05 0.00 -0.36 0.00 0.00 55.97 56.81 3h3f s LYS 21 Cb 0.22 -2.81 -0.02 0.00 -1.51 0.00 0.00 37.83 33.72 3h3f s LYS 21 CO -0.09 0.37 -0.13 0.42 -0.36 0.00 0.00 175.35 175.56 3h3f s ILE 22 N -1.60 1.06 -0.05 5.43 1.01 -0.12 -1.80 121.20 125.13 3h3f s ILE 22 Ca 0.44 -0.97 0.06 0.00 0.00 0.00 0.00 60.65 60.18 3h3f s ILE 22 Cb -0.15 -0.96 -0.01 0.00 0.01 0.00 0.00 42.46 41.35 3h3f s ILE 22 CO 0.20 -0.01 -0.25 -0.89 0.00 0.00 0.00 174.94 174.00 3h3f s THR 23 N -0.84 2.01 -0.22 2.92 2.01 -0.77 -1.49 115.64 119.25 3h3f s THR 23 Ca 0.01 -1.04 -0.04 0.00 0.31 0.00 0.00 61.69 60.92 3h3f s THR 23 Cb -0.08 -1.70 -0.01 0.00 0.01 0.00 0.00 72.50 70.73 3h3f s THR 23 CO 0.01 0.56 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.78 3h3f s VAL 24 N -0.19 3.52 -0.40 3.82 1.01 -0.72 -1.04 120.40 126.41 3h3f s VAL 24 Ca -0.02 -0.44 -0.18 0.00 0.00 0.00 0.00 61.98 61.33 3h3f s VAL 24 Cb -0.13 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.65 3h3f s VAL 24 CO 0.03 0.41 0.50 -0.69 0.00 0.00 0.00 175.10 175.35 3h3f s VAL 25 N 1.45 5.01 0.00 2.92 1.01 0.23 -1.24 120.40 129.79 3h3f s VAL 25 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.01 3h3f s VAL 25 Cb -0.14 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.20 3h3f s VAL 25 CO -0.02 -0.38 0.00 0.61 0.00 0.00 0.00 175.10 175.31 3h3f n GLY 26 N 5.00 1.36 2.16 4.51 0.00 0.11 -0.28 105.19 118.04 3h3f n GLY 26 Ca -0.05 -0.94 -0.28 0.00 0.00 0.00 0.00 46.02 44.74 3h3f n GLY 26 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3h3f n VAL 27 N 1.71 2.94 -1.07 1.61 0.24 -1.26 -3.85 118.33 118.65 3h3f n VAL 27 Ca 0.00 -3.78 -0.12 0.00 -2.04 0.00 0.00 64.34 58.40 3h3f n VAL 27 Cb 0.00 -1.15 0.09 0.00 -1.47 0.00 0.00 33.84 31.31 3h3f n VAL 27 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h3f n GLY 28 N -0.78 -1.85 0.46 7.63 0.00 -1.26 -4.61 105.19 104.78 3h3f n GLY 28 Ca 0.51 -1.59 0.28 0.00 0.00 0.00 0.00 46.02 45.22 3h3f n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3f h ALA 29 N -2.08 2.68 0.21 4.61 0.00 -1.93 -0.11 119.26 122.63 3h3f h ALA 29 Ca -0.17 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.40 3h3f h ALA 29 Cb 0.48 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.34 3h3f h ALA 29 CO 0.11 -1.01 -1.64 0.28 0.00 0.00 0.00 179.25 177.00 3h3f h VAL 30 N 0.16 1.08 -0.14 0.00 2.07 -1.89 -2.55 116.25 114.98 3h3f h VAL 30 Ca 0.52 -2.61 -0.01 0.00 0.82 0.00 0.00 66.70 65.42 3h3f h VAL 30 Cb 1.75 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 34.39 3h3f h VAL 30 CO -0.11 0.84 0.06 1.23 0.02 0.00 0.00 177.57 179.61 3h3f h GLY 31 N 0.58 0.23 1.83 2.17 0.00 -1.15 -0.89 103.07 105.84 3h3f h GLY 31 Ca -0.30 -0.12 -0.05 0.00 0.00 0.00 0.00 47.33 46.85 3h3f h GLY 31 CO 0.21 0.11 -0.17 -0.33 0.00 0.00 0.00 176.54 176.37 3h3f h MET 32 N 0.08 0.20 -0.11 4.80 0.00 -1.42 -1.62 114.93 116.87 3h3f h MET 32 Ca 0.05 -0.05 -0.10 0.00 0.00 0.00 0.00 59.70 59.60 3h3f h MET 32 Cb 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 31.60 31.74 3h3f h MET 32 CO -0.00 0.38 -0.32 0.00 0.00 0.00 0.00 176.91 176.96 3h3f h ALA 33 N 1.64 0.18 -0.99 6.32 0.00 -0.98 -1.04 119.26 124.39 3h3f h ALA 33 Ca 0.04 -0.43 0.10 0.00 0.00 0.00 0.00 54.91 54.62 3h3f h ALA 33 Cb 0.42 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 3h3f h ALA 33 CO 0.03 0.23 0.63 0.00 0.00 0.00 0.00 179.25 180.13 3h3f h ALA 35 N 1.50 0.09 -0.61 0.00 0.00 -1.03 -1.69 119.26 117.52 3h3f h ALA 35 Ca 0.47 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 3h3f h ALA 35 Cb 0.37 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3h3f h ALA 35 CO -0.23 -0.30 0.17 0.97 0.00 0.00 0.00 179.25 179.86 3h3f h ILE 36 N -0.08 1.25 -0.61 0.00 6.09 -1.10 0.86 117.51 123.92 3h3f h ILE 36 Ca 0.02 -0.87 -0.07 0.00 -1.37 0.00 0.00 64.86 62.57 3h3f h ILE 36 Cb 0.22 0.66 -0.03 0.00 0.47 0.00 0.00 36.82 38.14 3h3f h ILE 36 CO -0.00 0.33 0.10 0.28 -3.07 0.00 0.00 178.15 175.79 3h3f h SER 37 N 0.87 0.94 -0.32 2.19 0.02 -1.31 0.39 113.55 116.34 3h3f h SER 37 Ca 0.19 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 3h3f h SER 37 Cb 0.32 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3h3f h SER 37 CO -0.00 0.94 0.00 0.40 -1.14 0.00 0.00 176.83 177.04 3h3f h ILE 38 N 0.94 1.26 -0.77 3.27 2.04 -1.21 -2.85 117.51 120.18 3h3f h ILE 38 Ca 0.19 -0.95 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 3h3f h ILE 38 Cb 0.40 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 3h3f h ILE 38 CO 0.01 0.31 0.41 -0.07 0.00 0.00 0.00 178.15 178.80 3h3f h LEU 39 N 0.37 0.97 -0.27 1.44 3.38 -0.38 -2.75 115.31 118.07 3h3f h LEU 39 Ca 0.09 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h3f h LEU 39 Cb 0.44 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3h3f h LEU 39 CO 0.02 0.79 -0.08 0.23 0.09 0.00 0.00 178.44 179.49 3h3f n MET 40 N -4.34 0.84 -0.11 1.13 2.81 0.09 -2.80 117.12 114.73 3h3f n MET 40 Ca 0.08 -0.27 0.11 0.00 -1.81 0.00 0.00 57.70 55.80 3h3f n MET 40 Cb 0.11 -1.49 0.16 0.00 -0.71 0.00 0.00 33.22 31.28 3h3f n MET 40 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3h3f n LYS 41 N -0.85 2.22 -3.62 0.03 5.02 -1.06 -5.02 118.16 114.89 3h3f n LYS 41 Ca 0.16 -2.03 -0.29 0.00 -2.02 0.00 0.00 58.31 54.13 3h3f n LYS 41 Cb 0.26 -1.44 0.05 0.00 -0.02 0.00 0.00 35.03 33.87 3h3f n LYS 41 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3h3f n ASP 42 N 1.28 -5.51 -0.39 4.39 8.00 -1.07 -4.90 116.55 118.35 3h3f n ASP 42 Ca 0.16 -0.97 0.07 0.00 0.71 0.00 0.00 54.79 54.75 3h3f n ASP 42 Cb 0.55 -3.66 0.02 0.00 -0.02 0.00 0.00 41.12 38.01 3h3f n ASP 42 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3h3f n LEU 43 N -4.04 1.67 -4.00 0.64 4.77 -1.23 -4.98 117.00 109.83 3h3f n LEU 43 Ca -0.09 -0.85 -0.13 0.00 -0.03 0.00 0.00 56.01 54.91 3h3f n LEU 43 Cb 0.60 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.56 3h3f n LEU 43 CO 0.66 0.32 -0.39 0.00 -1.33 0.00 0.00 177.39 176.65 3h3f s ALA 44 N -1.45 0.41 -2.53 -1.18 0.00 -1.26 -4.90 121.76 110.85 3h3f s ALA 44 Ca 0.13 -0.49 0.23 0.00 0.00 0.00 0.00 51.96 51.83 3h3f s ALA 44 Cb 0.11 0.00 0.58 0.00 0.00 0.00 0.00 23.12 23.81 3h3f s ALA 44 CO 0.27 0.00 1.48 -0.40 0.00 0.00 0.00 175.76 177.11 3h3f n ASP 45 N 2.12 2.47 -3.63 0.00 5.68 -0.44 -4.55 116.55 118.21 3h3f n ASP 45 Ca -0.19 -1.82 -0.12 0.00 -0.50 0.00 0.00 54.79 52.16 3h3f n ASP 45 Cb 0.56 -0.11 -0.07 0.00 -1.14 0.00 0.00 41.12 40.36 3h3f n ASP 45 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 3h3f s GLU 46 N -1.78 0.72 -0.08 0.11 2.12 -1.25 -3.95 118.70 114.60 3h3f s GLU 46 Ca 0.34 0.91 0.02 0.00 0.36 0.00 0.00 54.97 56.60 3h3f s GLU 46 Cb 0.20 0.33 0.01 0.00 0.26 0.00 0.00 34.13 34.93 3h3f s GLU 46 CO 0.30 -0.09 -0.12 -1.17 -0.54 0.00 0.00 175.26 173.63 3h3f s LEU 47 N 0.52 1.60 0.03 2.70 2.96 -0.80 -0.94 118.68 124.74 3h3f s LEU 47 Ca -0.01 -0.31 0.09 0.00 -0.22 0.00 0.00 54.13 53.68 3h3f s LEU 47 Cb -0.05 -0.86 -0.03 0.00 0.50 0.00 0.00 46.19 45.76 3h3f s LEU 47 CO -0.04 0.01 -0.26 0.00 -1.32 0.00 0.00 176.35 174.75 3h3f s ALA 48 N 0.82 2.24 -0.06 5.97 0.00 -0.56 -1.26 121.76 128.93 3h3f s ALA 48 Ca -0.11 -1.23 0.03 0.00 0.00 0.00 0.00 51.96 50.65 3h3f s ALA 48 Cb -0.15 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 3h3f s ALA 48 CO 0.02 0.53 -0.14 -0.51 0.00 0.00 0.00 175.76 175.66 3h3f s LEU 49 N -1.08 2.72 0.13 0.00 1.43 -0.22 -1.75 118.68 119.92 3h3f s LEU 49 Ca 0.11 -0.21 0.10 0.00 -1.03 0.00 0.00 54.13 53.10 3h3f s LEU 49 Cb -0.10 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 3h3f s LEU 49 CO 0.01 0.33 -0.23 0.68 0.23 0.00 0.00 176.35 177.37 3h3f s VAL 50 N -0.61 2.00 -0.14 -1.59 -7.23 -0.37 -2.73 120.40 109.73 3h3f s VAL 50 Ca 0.09 -1.72 -0.32 0.00 -1.81 0.00 0.00 61.98 58.22 3h3f s VAL 50 Cb -0.11 -1.82 0.13 0.00 0.56 0.00 0.00 36.38 35.14 3h3f s VAL 50 CO 0.01 -0.04 1.08 -0.62 -0.31 0.00 0.00 175.10 175.23 3h3f s ASP 51 N -2.13 -0.24 0.13 4.85 -1.08 -1.25 0.06 116.67 117.01 3h3f s ASP 51 Ca 0.12 0.08 0.15 0.00 -0.52 0.00 0.00 52.55 52.38 3h3f s ASP 51 Cb -0.09 0.24 -0.08 0.00 -1.46 0.00 0.00 42.92 41.52 3h3f s ASP 51 CO 0.06 -0.35 1.06 -0.37 0.52 0.00 0.00 175.17 176.09 3h3f h VAL 52 N 2.11 0.75 -2.93 1.11 -1.51 -1.93 -3.38 116.25 110.48 3h3f h VAL 52 Ca -0.15 -2.25 -0.55 0.00 -1.23 0.00 0.00 66.70 62.52 3h3f h VAL 52 Cb 1.19 2.26 -0.05 0.00 -2.13 0.00 0.00 31.29 32.56 3h3f h VAL 52 CO 0.27 0.43 1.12 -0.04 -1.23 0.00 0.00 177.57 178.12 3h3f s MET 53 N -2.90 3.36 0.15 5.19 -1.94 -1.26 -4.90 119.30 117.00 3h3f s MET 53 Ca -0.00 0.73 0.03 0.00 -1.71 0.00 0.00 55.69 54.73 3h3f s MET 53 Cb 0.08 -4.11 -0.06 0.00 2.01 0.00 0.00 34.83 32.76 3h3f s MET 53 CO 0.79 -1.85 1.34 0.93 -0.01 0.00 0.00 175.02 176.23 3h3f h GLU 54 N 11.36 0.16 0.01 2.03 5.08 -2.00 -2.87 114.58 128.35 3h3f h GLU 54 Ca -0.28 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 57.88 3h3f h GLU 54 Cb 1.11 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3h3f h GLU 54 CO 1.13 0.98 -0.04 -0.44 -1.00 0.00 0.00 179.01 179.64 3h3f h ASP 55 N 0.08 0.03 -0.87 1.42 3.45 -1.98 -1.56 116.42 116.98 3h3f h ASP 55 Ca -0.05 -0.93 0.10 0.00 0.43 0.00 0.00 57.03 56.58 3h3f h ASP 55 Cb 1.58 -0.01 -0.08 0.00 -0.56 0.00 0.00 39.33 40.27 3h3f h ASP 55 CO 0.14 0.96 0.51 0.50 -1.57 0.00 0.00 179.24 179.77 3h3f h LYS 56 N -0.90 0.82 0.63 3.56 3.64 -1.99 0.35 116.57 122.67 3h3f h LYS 56 Ca -0.01 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 3h3f h LYS 56 Cb 0.97 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.61 3h3f h LYS 56 CO 0.01 0.54 -0.30 1.25 -2.27 0.00 0.00 179.45 178.68 3h3f h LEU 57 N 0.84 -0.71 -0.93 5.20 5.85 -1.53 0.43 115.31 124.46 3h3f h LEU 57 Ca 0.42 0.02 0.26 0.00 0.84 0.00 0.00 57.88 59.43 3h3f h LEU 57 Cb 0.39 0.18 -0.17 0.00 0.37 0.00 0.00 40.66 41.44 3h3f h LEU 57 CO -0.25 -0.36 0.11 0.50 -0.34 0.00 0.00 178.44 178.10 3h3f h LYS 58 N -1.14 0.07 -0.04 1.25 3.64 -1.20 -1.04 116.57 118.11 3h3f h LYS 58 Ca -0.09 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.16 3h3f h LYS 58 Cb 0.65 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 3h3f h LYS 58 CO 0.14 0.05 -0.59 0.78 -2.27 0.00 0.00 179.45 177.56 3h3f h GLY 59 N 0.07 0.13 1.11 5.01 0.00 0.40 -2.19 103.07 107.61 3h3f h GLY 59 Ca 0.58 -0.16 -0.24 0.00 0.00 0.00 0.00 47.33 47.51 3h3f h GLY 59 CO -0.81 0.14 -0.91 0.83 0.00 0.00 0.00 176.54 175.79 3h3f h GLU 60 N 0.09 0.66 0.03 4.80 4.39 -0.50 -2.12 114.58 121.93 3h3f h GLU 60 Ca -0.01 -0.68 0.03 0.00 0.34 0.00 0.00 59.36 59.05 3h3f h GLU 60 Cb 1.06 0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 29.84 3h3f h GLU 60 CO 0.08 1.27 -0.43 1.98 -1.16 0.00 0.00 179.01 180.76 3h3f h MET 61 N 0.31 -0.58 -0.95 2.33 4.05 -1.09 -1.58 114.93 117.42 3h3f h MET 61 Ca -0.11 0.04 0.12 0.00 -0.28 0.00 0.00 59.70 59.47 3h3f h MET 61 Cb 1.57 0.13 -0.08 0.00 -0.80 0.00 0.00 31.60 32.42 3h3f h MET 61 CO 0.18 -0.39 0.58 0.52 0.23 0.00 0.00 176.91 178.03 3h3f h MET 62 N -0.61 0.88 -0.68 0.39 2.86 -1.44 0.12 114.93 116.46 3h3f h MET 62 Ca 0.04 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3h3f h MET 62 Cb 0.67 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 3h3f h MET 62 CO -0.30 0.58 0.41 0.22 1.06 0.00 0.00 176.91 178.88 3h3f h ASP 63 N 0.90 0.81 0.08 1.22 -0.00 -1.11 -1.46 116.42 116.87 3h3f h ASP 63 Ca 0.48 -0.06 -0.00 0.00 -0.00 0.00 0.00 57.03 57.44 3h3f h ASP 63 Cb 0.50 -0.20 0.00 0.00 -0.00 0.00 0.00 39.33 39.62 3h3f h ASP 63 CO -0.28 0.63 -0.04 -0.07 -0.00 0.00 0.00 179.24 179.49 3h3f h LEU 64 N 0.92 -0.09 -1.14 2.28 3.38 -0.60 -3.09 115.31 116.97 3h3f h LEU 64 Ca 0.24 -0.21 0.10 0.00 0.09 0.00 0.00 57.88 58.10 3h3f h LEU 64 Cb -0.03 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 3h3f h LEU 64 CO -0.05 0.16 0.60 1.56 0.09 0.00 0.00 178.44 180.80 3h3f h GLN 65 N -0.35 0.91 0.00 1.13 4.20 -0.52 0.67 115.11 121.16 3h3f h GLN 65 Ca -0.01 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.64 3h3f h GLN 65 Cb 0.30 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3h3f h GLN 65 CO 0.02 0.60 0.00 0.72 -0.67 0.00 0.00 178.83 179.50 3h3f n HIS 66 N -4.55 0.00 1.14 2.96 8.25 -0.59 -0.71 115.22 121.71 3h3f n HIS 66 Ca 0.16 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.75 3h3f n HIS 66 Cb 0.31 -0.42 0.26 0.00 1.12 0.00 0.00 29.99 31.26 3h3f n HIS 66 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h3f n GLY 67 N -1.02 -0.68 0.35 -1.41 0.00 0.23 -4.65 105.19 98.02 3h3f n GLY 67 Ca 0.01 -0.44 0.16 0.00 0.00 0.00 0.00 46.02 45.75 3h3f n GLY 67 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3h3f h SER 68 N 1.05 0.72 -0.35 1.61 0.02 -0.97 0.37 113.55 116.00 3h3f h SER 68 Ca 0.00 0.12 0.10 0.00 -0.84 0.00 0.00 61.79 61.17 3h3f h SER 68 Cb 0.54 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 3h3f h SER 68 CO 0.00 0.17 0.39 0.25 -1.14 0.00 0.00 176.83 176.50 3h3f h LEU 69 N 0.65 0.00 -2.27 5.07 5.85 -1.83 -1.02 115.31 121.76 3h3f h LEU 69 Ca 0.62 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.34 3h3f h LEU 69 Cb 1.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.13 3h3f h LEU 69 CO -0.44 0.00 0.00 0.49 -0.34 0.00 0.00 178.44 178.15 3h3f n PHE 70 N -3.71 0.35 -4.54 1.25 3.01 0.13 -4.96 117.46 108.99 3h3f n PHE 70 Ca 0.06 -0.27 -0.29 0.00 1.01 0.00 0.00 57.45 57.96 3h3f n PHE 70 Cb 0.55 -0.01 -0.09 0.00 -0.01 0.00 0.00 39.48 39.92 3h3f n PHE 70 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3h3f s LEU 71 N -1.14 2.75 -0.37 4.37 1.43 -0.39 -5.08 118.68 120.25 3h3f s LEU 71 Ca 0.26 -1.39 0.12 0.00 -1.03 0.00 0.00 54.13 52.09 3h3f s LEU 71 Cb 0.15 -0.96 0.44 0.00 0.03 0.00 0.00 46.19 45.85 3h3f s LEU 71 CO 0.21 -0.61 1.01 0.54 0.23 0.00 0.00 176.35 177.73 3h3f n ARG 72 N -1.13 2.08 -3.80 1.70 1.74 -1.26 -4.96 116.66 111.02 3h3f n ARG 72 Ca -0.08 -3.78 -0.30 0.00 -0.77 0.00 0.00 57.85 52.92 3h3f n ARG 72 Cb 0.66 -1.67 -0.15 0.00 -1.02 0.00 0.00 32.46 30.28 3h3f n ARG 72 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3h3f s THR 73 N -4.08 1.07 -1.36 0.55 2.01 -1.26 -4.89 115.64 107.68 3h3f s THR 73 Ca 0.36 -1.31 0.23 0.00 0.31 0.00 0.00 61.69 61.28 3h3f s THR 73 Cb 0.43 -1.68 0.36 0.00 0.01 0.00 0.00 72.50 71.63 3h3f s THR 73 CO -0.06 -0.48 1.74 -0.81 -0.69 0.00 0.00 174.62 174.32 3h3f n PRO 74 N 4.79 0.27 -3.66 4.92 -0.04 -1.26 -4.68 135.00 135.35 3h3f n PRO 74 Ca -0.05 0.08 -0.18 0.00 -0.04 0.00 0.00 63.50 63.31 3h3f n PRO 74 Cb 0.43 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.23 3h3f n PRO 74 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3h3f s LYS 75 N -2.64 -0.01 -0.08 0.54 2.47 -1.25 -5.07 119.74 113.70 3h3f s LYS 75 Ca 0.20 0.46 0.02 0.00 -1.56 0.00 0.00 55.97 55.09 3h3f s LYS 75 Cb 0.15 -0.44 0.01 0.00 -1.46 0.00 0.00 37.83 36.09 3h3f s LYS 75 CO 0.36 -0.34 -0.14 0.42 0.16 0.00 0.00 175.35 175.81 3h3f s ILE 76 N 2.24 1.35 0.27 5.43 1.01 -1.26 -1.90 121.20 128.33 3h3f s ILE 76 Ca 0.04 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.12 3h3f s ILE 76 Cb -0.12 -1.22 -0.05 0.00 0.01 0.00 0.00 42.46 41.08 3h3f s ILE 76 CO -0.05 0.40 0.10 0.68 0.00 0.00 0.00 174.94 176.08 3h3f s VAL 77 N 0.75 0.57 0.05 2.92 -7.23 -0.39 -5.00 120.40 112.07 3h3f s VAL 77 Ca -0.12 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 57.78 3h3f s VAL 77 Cb -0.16 -2.63 0.09 0.00 0.56 0.00 0.00 36.38 34.24 3h3f s VAL 77 CO 0.03 0.00 0.84 -0.94 -0.31 0.00 0.00 175.10 174.72 3h3f s SER 78 N -3.34 -0.38 0.00 4.85 1.04 -1.26 -1.06 113.70 113.56 3h3f s SER 78 Ca 0.37 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.74 3h3f s SER 78 Cb 0.07 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.64 3h3f s SER 78 CO 0.14 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.24 3h3f n GLY 79 N -0.30 1.03 0.17 7.32 0.00 -1.10 -4.93 105.19 107.37 3h3f n GLY 79 Ca -0.10 -0.73 0.05 0.00 0.00 0.00 0.00 46.02 45.24 3h3f n GLY 79 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3h3f h LYS 80 N 0.00 0.00 -5.87 1.61 2.10 -1.89 -3.34 116.57 109.18 3h3f h LYS 80 Ca 0.00 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 58.07 3h3f h LYS 80 Cb 0.00 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.25 3h3f h LYS 80 CO 0.00 0.42 0.39 0.34 -2.00 0.00 0.00 179.45 178.61 3h3f s ASP 81 N -6.44 6.90 0.00 7.07 3.68 -1.26 -4.82 116.67 121.79 3h3f s ASP 81 Ca 0.01 1.10 0.15 0.00 2.13 0.00 0.00 52.55 55.95 3h3f s ASP 81 Cb 0.10 -2.44 0.78 0.00 -1.45 0.00 0.00 42.92 39.91 3h3f s ASP 81 CO 0.70 -0.42 1.43 -1.22 0.13 0.00 0.00 175.17 175.79 3h3f n TYR 82 N 5.45 0.00 0.33 -5.34 4.02 -1.26 -2.52 117.16 117.84 3h3f n TYR 82 Ca 0.04 0.00 0.22 0.00 -0.01 0.00 0.00 57.90 58.15 3h3f n TYR 82 Cb 0.48 -0.28 1.11 0.00 -0.02 0.00 0.00 39.34 40.64 3h3f n TYR 82 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3h3f h SER 83 N 0.00 0.00 0.39 7.72 4.64 -1.93 -1.22 113.55 123.15 3h3f h SER 83 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h3f h SER 83 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3h3f h SER 83 CO 0.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 3h3f n VAL 84 N -3.12 0.58 1.00 0.95 0.24 -1.05 -2.69 118.33 114.24 3h3f n VAL 84 Ca -0.02 0.14 0.11 0.00 -2.04 0.00 0.00 64.34 62.53 3h3f n VAL 84 Cb 0.12 -0.86 -0.05 0.00 -1.47 0.00 0.00 33.84 31.58 3h3f n VAL 84 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 3h3f n THR 85 N -1.34 0.00 -1.72 3.34 -1.04 -0.46 -4.79 114.28 108.27 3h3f n THR 85 Ca 0.07 -0.17 -0.42 0.00 -2.04 0.00 0.00 64.05 61.49 3h3f n THR 85 Cb 0.15 1.17 0.00 0.00 -1.82 0.00 0.00 70.33 69.83 3h3f n THR 85 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3h3f n ALA 86 N -0.53 1.54 -1.49 2.41 0.00 -1.09 -2.85 120.51 118.50 3h3f n ALA 86 Ca 0.07 0.33 -0.12 0.00 0.00 0.00 0.00 53.44 53.72 3h3f n ALA 86 Cb 0.42 -2.30 -0.04 0.00 0.00 0.00 0.00 19.45 17.53 3h3f n ALA 86 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3h3f n ASN 87 N 0.52 -4.32 -4.76 0.00 3.02 -0.96 -4.95 115.26 103.81 3h3f n ASN 87 Ca 0.04 0.24 -0.41 0.00 -0.03 0.00 0.00 54.58 54.43 3h3f n ASN 87 Cb 0.38 -2.98 -0.03 0.00 -0.61 0.00 0.00 39.78 36.54 3h3f n ASN 87 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3h3f s SER 88 N -2.81 6.94 0.08 6.41 0.01 -1.13 -4.57 113.70 118.63 3h3f s SER 88 Ca 0.00 2.53 0.01 0.00 1.31 0.00 0.00 55.95 59.81 3h3f s SER 88 Cb 0.00 -2.64 -0.25 0.00 0.21 0.00 0.00 66.02 63.34 3h3f s SER 88 CO 0.00 -0.41 1.14 0.11 0.41 0.00 0.00 173.24 174.50 3h3f h LYS 89 N 3.66 0.14 -4.00 12.44 1.57 -1.69 -3.39 116.57 125.31 3h3f h LYS 89 Ca -0.48 -0.24 -0.42 0.00 -1.87 0.00 0.00 60.65 57.64 3h3f h LYS 89 Cb 1.22 0.09 -0.35 0.00 0.08 0.00 0.00 32.23 33.27 3h3f h LYS 89 CO 0.67 1.08 -0.77 -1.17 -0.57 0.00 0.00 179.45 178.68 3h3f s LEU 90 N -6.89 1.22 -0.15 2.94 2.96 -1.22 -1.58 118.68 115.95 3h3f s LEU 90 Ca -0.02 -0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 53.74 3h3f s LEU 90 Cb 0.08 -0.48 -0.02 0.00 0.50 0.00 0.00 46.19 46.28 3h3f s LEU 90 CO 0.85 -0.08 -0.10 -0.69 -1.32 0.00 0.00 176.35 175.02 3h3f s VAL 91 N 1.11 3.28 -0.30 1.68 1.01 -0.22 -1.86 120.40 125.10 3h3f s VAL 91 Ca -0.08 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 3h3f s VAL 91 Cb -0.14 -2.41 0.03 0.00 0.00 0.00 0.00 36.38 33.86 3h3f s VAL 91 CO -0.01 0.50 0.04 -0.63 0.00 0.00 0.00 175.10 175.00 3h3f s ILE 92 N 0.55 3.48 -0.45 2.22 1.01 -0.21 -0.86 121.20 126.94 3h3f s ILE 92 Ca -0.06 -1.01 -0.20 0.00 0.00 0.00 0.00 60.65 59.37 3h3f s ILE 92 Cb -0.15 -2.87 0.03 0.00 0.01 0.00 0.00 42.46 39.47 3h3f s ILE 92 CO 0.03 0.01 0.61 -0.63 0.00 0.00 0.00 174.94 174.96 3h3f s ILE 93 N 1.39 4.87 -0.83 2.92 -1.09 -0.44 -0.60 121.20 127.41 3h3f s ILE 93 Ca -0.01 -0.08 0.07 0.00 -2.23 0.00 0.00 60.65 58.41 3h3f s ILE 93 Cb -0.18 -4.21 0.11 0.00 -1.58 0.00 0.00 42.46 36.60 3h3f s ILE 93 CO 0.00 -0.63 0.88 0.35 -1.23 0.00 0.00 174.94 174.31 3h3f n THR 94 N 5.75 0.33 -2.55 2.92 -2.24 0.61 -1.45 114.28 117.64 3h3f n THR 94 Ca -0.03 -0.66 -0.30 0.00 -2.27 0.00 0.00 64.05 60.78 3h3f n THR 94 Cb 0.47 0.94 -0.02 0.00 -2.10 0.00 0.00 70.33 69.62 3h3f n THR 94 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h3f s ALA 95 N -0.74 3.25 0.00 6.98 0.00 -1.06 -4.69 121.76 125.51 3h3f s ALA 95 Ca 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.92 3h3f s ALA 95 Cb 0.07 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.35 3h3f s ALA 95 CO 0.10 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.04 3h3f n GLY 96 N -1.76 -0.69 3.77 0.00 0.00 -1.26 -4.78 105.19 100.46 3h3f n GLY 96 Ca 0.04 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 3h3f n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3f s ALA 97 N -2.00 3.33 0.04 4.61 0.00 -1.26 -4.97 121.76 121.51 3h3f s ALA 97 Ca 0.00 1.26 -0.30 0.00 0.00 0.00 0.00 51.96 52.91 3h3f s ALA 97 Cb 0.00 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 3h3f s ALA 97 CO 0.00 -0.79 1.21 -0.98 0.00 0.00 0.00 175.76 175.20 3h3f s ARG 98 N -2.12 4.41 1.06 0.00 1.70 -1.26 -5.01 118.95 117.73 3h3f s ARG 98 Ca 0.55 1.76 -0.13 0.00 -0.47 0.00 0.00 55.73 57.44 3h3f s ARG 98 Cb -0.39 -3.39 0.18 0.00 -0.57 0.00 0.00 34.95 30.79 3h3f s ARG 98 CO 0.51 -0.30 0.80 1.04 -1.08 0.00 0.00 175.30 176.27 3h3f n GLN 99 N 4.19 -1.45 -3.60 3.89 6.02 -1.26 -5.03 117.38 120.14 3h3f n GLN 99 Ca 0.09 -0.38 -0.15 0.00 -0.01 0.00 0.00 57.00 56.55 3h3f n GLN 99 Cb 0.46 -2.11 -0.13 0.00 1.02 0.00 0.00 30.24 29.48 3h3f n GLN 99 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 3h3f s GLN 100 N -4.20 0.15 -1.42 -1.09 -2.07 -1.26 -5.00 119.66 104.76 3h3f s GLN 100 Ca 0.64 0.54 -0.08 0.00 -1.82 0.00 0.00 55.36 54.64 3h3f s GLN 100 Cb -0.22 -0.46 0.08 0.00 -1.09 0.00 0.00 33.01 31.32 3h3f s GLN 100 CO 0.64 -0.42 0.20 0.39 -1.32 0.00 0.00 175.29 174.78 3h3f n GLU 101 N 5.34 -0.87 -3.78 9.60 1.02 -1.26 0.56 120.64 131.25 3h3f n GLU 101 Ca -0.05 0.09 -0.26 0.00 -0.02 0.00 0.00 57.16 56.91 3h3f n GLU 101 Cb 0.50 -3.40 0.01 0.00 -0.02 0.00 0.00 31.44 28.53 3h3f n GLU 101 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h3f n GLY 102 N -1.79 -0.63 3.56 0.62 0.00 -1.26 -4.98 105.19 100.70 3h3f n GLY 102 Ca -0.13 0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 3h3f n GLY 102 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3h3f n GLU 103 N -3.09 -0.97 -0.19 1.61 2.13 0.19 -5.03 120.64 115.28 3h3f n GLU 103 Ca -0.11 -2.02 -0.11 0.00 0.66 0.00 0.00 57.16 55.58 3h3f n GLU 103 Cb 0.39 -1.13 0.10 0.00 0.27 0.00 0.00 31.44 31.06 3h3f n GLU 103 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3h3f n SER 104 N -3.62 -2.26 -0.11 4.31 2.88 -1.26 -4.80 113.62 108.77 3h3f n SER 104 Ca 0.15 -0.47 -0.23 0.00 -1.33 0.00 0.00 58.87 56.99 3h3f n SER 104 Cb 0.54 -0.35 -0.11 0.00 -0.75 0.00 0.00 64.21 63.53 3h3f n SER 104 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 3h3f n ARG 105 N -3.10 0.58 -0.33 -1.46 0.63 -1.26 -2.64 116.66 109.08 3h3f n ARG 105 Ca 0.05 0.51 0.05 0.00 -0.92 0.00 0.00 57.85 57.54 3h3f n ARG 105 Cb 0.21 -1.70 0.12 0.00 0.45 0.00 0.00 32.46 31.54 3h3f n ARG 105 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3h3f n LEU 106 N -4.36 -0.34 0.02 6.15 7.94 -1.26 0.17 117.00 125.32 3h3f n LEU 106 Ca -0.36 1.56 0.01 0.00 -1.11 0.00 0.00 56.01 56.11 3h3f n LEU 106 Cb 0.73 -0.47 0.34 0.00 0.53 0.00 0.00 43.42 44.56 3h3f n LEU 106 CO 0.17 -1.49 0.98 -1.13 -1.11 0.00 0.00 177.39 174.81 3h3f h ASN 107 N 0.00 0.45 0.00 1.96 -0.73 -1.91 0.52 115.58 115.87 3h3f h ASN 107 Ca 0.43 -0.07 -0.10 0.00 1.87 0.00 0.00 56.30 58.43 3h3f h ASN 107 Cb 0.66 -0.12 0.01 0.00 0.27 0.00 0.00 38.32 39.14 3h3f h ASN 107 CO -0.93 0.48 -0.41 0.25 -0.37 0.00 0.00 177.43 176.45 3h3f h LEU 108 N 0.48 0.35 0.46 0.34 5.85 -0.67 -3.16 115.31 118.96 3h3f h LEU 108 Ca 0.11 -0.78 -0.02 0.00 0.84 0.00 0.00 57.88 58.03 3h3f h LEU 108 Cb 0.24 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3h3f h LEU 108 CO 0.00 1.09 -0.29 0.58 -0.34 0.00 0.00 178.44 179.48 3h3f h VAL 109 N -0.35 0.39 -0.77 1.05 2.07 0.59 -3.07 116.25 116.17 3h3f h VAL 109 Ca -0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.48 3h3f h VAL 109 Cb 1.15 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 3h3f h VAL 109 CO 0.08 0.00 0.51 -0.61 0.02 0.00 0.00 177.57 177.57 3h3f h GLN 110 N -0.72 0.97 0.00 1.57 5.75 -0.14 0.09 115.11 122.63 3h3f h GLN 110 Ca -0.05 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.39 3h3f h GLN 110 Cb 0.60 -0.22 -0.00 0.00 1.07 0.00 0.00 27.48 28.93 3h3f h GLN 110 CO 0.05 0.64 -0.01 0.00 -2.65 0.00 0.00 178.83 176.86 3h3f h ARG 111 N 1.00 0.00 0.09 1.69 3.08 -1.50 0.68 114.38 119.43 3h3f h ARG 111 Ca 0.29 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.99 3h3f h ARG 111 Cb -0.06 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 3h3f h ARG 111 CO -0.07 0.01 -1.93 0.09 -1.07 0.00 0.00 179.97 177.00 3h3f n ASN 112 N -3.28 1.81 -0.32 7.04 4.13 -0.11 -3.11 115.26 121.42 3h3f n ASN 112 Ca -0.03 0.26 0.11 0.00 1.68 0.00 0.00 54.58 56.60 3h3f n ASN 112 Cb 0.10 -0.66 0.23 0.00 -1.54 0.00 0.00 39.78 37.91 3h3f n ASN 112 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 3h3f h VAL 113 N 0.05 0.12 -0.04 2.41 2.07 -0.21 0.73 116.25 121.39 3h3f h VAL 113 Ca -0.39 -0.02 -0.09 0.00 0.82 0.00 0.00 66.70 67.02 3h3f h VAL 113 Cb 2.03 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 3h3f h VAL 113 CO 0.09 0.01 -0.41 0.78 0.02 0.00 0.00 177.57 178.06 3h3f h ASN 114 N 0.04 0.08 0.16 0.57 2.35 -0.94 0.03 115.58 117.88 3h3f h ASN 114 Ca 0.53 -0.03 -0.23 0.00 -0.55 0.00 0.00 56.30 56.02 3h3f h ASN 114 Cb 1.02 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 39.37 3h3f h ASN 114 CO -0.85 0.48 -0.90 0.40 -1.65 0.00 0.00 177.43 174.92 3h3f h ILE 115 N 0.07 1.35 0.00 2.81 2.04 -1.03 -3.24 117.51 119.50 3h3f h ILE 115 Ca 0.00 -2.26 -0.05 0.00 1.00 0.00 0.00 64.86 63.55 3h3f h ILE 115 Cb 0.75 2.27 -0.01 0.00 -0.74 0.00 0.00 36.82 39.10 3h3f h ILE 115 CO 0.06 0.69 -0.25 -0.26 0.00 0.00 0.00 178.15 178.38 3h3f h PHE 116 N 0.33 0.00 0.00 1.37 -1.00 0.10 -2.20 116.94 115.54 3h3f h PHE 116 Ca -0.08 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.70 3h3f h PHE 116 Cb 1.52 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 41.08 3h3f h PHE 116 CO 0.07 0.25 -0.03 0.87 -1.61 0.00 0.00 178.31 177.87 3h3f h LYS 117 N 0.00 0.00 0.00 1.51 1.57 -1.03 -1.38 116.57 117.23 3h3f h LYS 117 Ca -0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 3h3f h LYS 117 Cb 0.73 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.01 3h3f h LYS 117 CO 0.03 0.03 -1.10 0.34 -0.57 0.00 0.00 179.45 178.18 3h3f n PHE 118 N -3.13 0.96 0.09 -1.35 7.35 -1.12 -4.48 117.46 115.78 3h3f n PHE 118 Ca 0.01 0.42 -0.13 0.00 -0.76 0.00 0.00 57.45 56.98 3h3f n PHE 118 Cb 0.33 -1.01 -0.08 0.00 0.35 0.00 0.00 39.48 39.08 3h3f n PHE 118 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 3h3f h ILE 119 N -1.00 0.94 0.30 -2.13 2.04 -1.37 -3.21 117.51 113.07 3h3f h ILE 119 Ca -0.27 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 3h3f h ILE 119 Cb 1.10 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 3h3f h ILE 119 CO -0.16 0.05 -0.14 0.40 0.00 0.00 0.00 178.15 178.29 3h3f h ILE 120 N -0.24 0.73 -0.85 -0.67 1.08 -1.52 -1.97 117.51 114.07 3h3f h ILE 120 Ca -0.02 -0.14 0.14 0.00 -0.39 0.00 0.00 64.86 64.46 3h3f h ILE 120 Cb 0.20 0.81 -0.09 0.00 -3.07 0.00 0.00 36.82 34.66 3h3f h ILE 120 CO 0.03 0.03 0.44 -0.65 -0.69 0.00 0.00 178.15 177.31 3h3f h PRO 121 N -0.47 0.62 -0.19 2.37 0.11 -1.78 0.35 132.00 133.00 3h3f h PRO 121 Ca -0.04 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.00 3h3f h PRO 121 Cb 0.35 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 3h3f h PRO 121 CO 0.07 0.41 -0.02 -0.91 -0.21 0.00 0.00 178.00 177.33 3h3f h ASN 122 N 0.64 0.26 -0.02 -2.05 2.35 -1.52 -2.30 115.58 112.93 3h3f h ASN 122 Ca 0.46 -0.04 -0.14 0.00 -0.55 0.00 0.00 56.30 56.04 3h3f h ASN 122 Cb 0.63 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 38.95 3h3f h ASN 122 CO -0.35 0.33 -0.52 -0.37 -1.65 0.00 0.00 177.43 174.87 3h3f h VAL 123 N 0.28 1.43 0.00 2.81 -1.51 0.45 -3.23 116.25 116.48 3h3f h VAL 123 Ca 0.06 -1.99 0.00 0.00 -1.23 0.00 0.00 66.70 63.55 3h3f h VAL 123 Cb 0.23 2.52 0.00 0.00 -2.13 0.00 0.00 31.29 31.91 3h3f h VAL 123 CO 0.01 0.58 0.00 -0.37 -1.23 0.00 0.00 177.57 176.55 3h3f h VAL 124 N -0.11 0.00 0.00 7.19 -1.51 -1.23 0.11 116.25 120.70 3h3f h VAL 124 Ca -0.06 -0.33 -0.07 0.00 -1.23 0.00 0.00 66.70 65.02 3h3f h VAL 124 Cb 1.22 1.15 -0.01 0.00 -2.13 0.00 0.00 31.29 31.52 3h3f h VAL 124 CO 0.10 0.00 -0.32 0.50 -1.23 0.00 0.00 177.57 176.63 3h3f h LYS 125 N 0.00 0.00 0.00 5.19 3.64 -1.43 -2.79 116.57 121.18 3h3f h LYS 125 Ca 0.00 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.19 3h3f h LYS 125 Cb 0.49 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 3h3f h LYS 125 CO 0.00 0.32 -1.72 0.66 -2.27 0.00 0.00 179.45 176.44 3h3f n TYR 126 N -3.20 0.00 -3.50 1.91 0.53 -0.97 -4.69 117.16 107.24 3h3f n TYR 126 Ca 0.02 0.00 -0.27 0.00 -1.02 0.00 0.00 57.90 56.64 3h3f n TYR 126 Cb 0.64 -0.51 -0.09 0.00 -1.03 0.00 0.00 39.34 38.35 3h3f n TYR 126 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 3h3f n SER 127 N -2.46 2.52 0.30 7.72 7.64 0.34 -2.25 113.62 127.43 3h3f n SER 127 Ca -0.18 -3.15 0.21 0.00 1.01 0.00 0.00 58.87 56.76 3h3f n SER 127 Cb 0.82 -0.68 1.10 0.00 -1.01 0.00 0.00 64.21 64.45 3h3f n SER 127 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3h3f h PRO 128 N 4.61 0.00 -0.35 1.43 0.13 -1.72 -2.86 132.00 133.23 3h3f h PRO 128 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3h3f h PRO 128 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3h3f h PRO 128 CO 0.69 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.18 3h3f n HIS 129 N -2.91 0.91 -2.28 1.56 8.25 -1.26 -5.04 115.22 114.45 3h3f n HIS 129 Ca -0.03 -0.72 -0.25 0.00 -0.26 0.00 0.00 57.72 56.46 3h3f n HIS 129 Cb 0.06 -0.23 0.06 0.00 1.12 0.00 0.00 29.99 31.01 3h3f n HIS 129 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3h3f s LYS 131 N -5.16 3.78 -0.16 0.00 3.01 -0.62 -4.94 119.74 115.66 3h3f s LYS 131 Ca 0.59 0.21 -0.03 0.00 -1.01 0.00 0.00 55.97 55.73 3h3f s LYS 131 Cb -0.11 -3.01 -0.02 0.00 -1.01 0.00 0.00 37.83 33.68 3h3f s LYS 131 CO 0.44 0.56 -0.06 -0.51 0.51 0.00 0.00 175.35 176.29 3h3f s LEU 132 N -1.85 3.08 -0.27 3.17 1.43 -0.27 -1.06 118.68 122.90 3h3f s LEU 132 Ca 0.33 -0.21 -0.03 0.00 -1.03 0.00 0.00 54.13 53.19 3h3f s LEU 132 Cb -0.14 -1.73 0.03 0.00 0.03 0.00 0.00 46.19 44.37 3h3f s LEU 132 CO 0.18 0.15 -0.01 -0.22 0.23 0.00 0.00 176.35 176.67 3h3f s LEU 133 N 0.49 3.55 -0.13 1.79 2.96 -0.04 -0.24 118.68 127.05 3h3f s LEU 133 Ca -0.05 -0.95 -0.12 0.00 -0.22 0.00 0.00 54.13 52.79 3h3f s LEU 133 Cb -0.15 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 3h3f s LEU 133 CO 0.03 -0.18 0.26 -0.69 -1.32 0.00 0.00 176.35 174.45 3h3f s VAL 134 N 1.35 5.31 0.00 1.68 1.01 0.17 -1.33 120.40 128.59 3h3f s VAL 134 Ca -0.01 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.45 3h3f s VAL 134 Cb -0.18 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.63 3h3f s VAL 134 CO -0.02 0.47 0.00 0.52 0.00 0.00 0.00 175.10 176.07 3h3f n VAL 135 N 2.95 0.00 -1.72 2.92 0.31 -0.53 -1.59 118.33 120.68 3h3f n VAL 135 Ca -0.14 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.79 3h3f n VAL 135 Cb 0.53 0.11 0.02 0.00 -0.91 0.00 0.00 33.84 33.59 3h3f n VAL 135 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3h3f n SER 136 N -1.59 2.62 -4.88 4.52 7.64 -1.10 -4.82 113.62 116.00 3h3f n SER 136 Ca 0.00 1.06 -0.35 0.00 1.01 0.00 0.00 58.87 60.59 3h3f n SER 136 Cb 0.13 -1.53 -0.05 0.00 -1.01 0.00 0.00 64.21 61.74 3h3f n SER 136 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3h3f s ASN 137 N -0.67 6.47 -0.15 6.43 0.01 -1.26 -2.84 114.94 122.93 3h3f s ASN 137 Ca 0.65 0.53 -0.29 0.00 -0.71 0.00 0.00 52.86 53.03 3h3f s ASN 137 Cb -0.47 -2.08 -0.03 0.00 0.41 0.00 0.00 41.25 39.09 3h3f s ASN 137 CO 0.55 0.28 1.42 -2.16 -1.51 0.00 0.00 177.10 175.68 3h3f s PRO 138 N -1.66 4.14 0.10 -0.60 0.04 -1.26 -4.98 135.00 130.79 3h3f s PRO 138 Ca 0.26 1.79 -0.14 0.00 0.04 0.00 0.00 61.00 62.95 3h3f s PRO 138 Cb -0.13 -3.87 -0.11 0.00 0.04 0.00 0.00 34.50 30.43 3h3f s PRO 138 CO 0.15 -0.85 1.37 -0.24 0.04 0.00 0.00 177.00 177.47 3h3f h VAL 139 N 5.63 1.29 -0.67 -0.36 3.04 -1.84 -0.67 116.25 122.67 3h3f h VAL 139 Ca -0.31 -1.69 -0.07 0.00 -1.01 0.00 0.00 66.70 63.62 3h3f h VAL 139 Cb 1.13 1.73 -0.03 0.00 -2.01 0.00 0.00 31.29 32.12 3h3f h VAL 139 CO 0.97 0.54 0.15 0.44 -1.01 0.00 0.00 177.57 178.67 3h3f h ASP 140 N 0.52 1.02 -0.21 3.17 3.32 -1.87 -1.31 116.42 121.06 3h3f h ASP 140 Ca 0.01 -0.24 -0.13 0.00 0.02 0.00 0.00 57.03 56.69 3h3f h ASP 140 Cb 1.10 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.38 3h3f h ASP 140 CO 0.11 0.99 -0.39 0.40 -1.72 0.00 0.00 179.24 178.63 3h3f h ILE 141 N 1.00 1.32 0.00 0.35 2.04 -1.87 -2.89 117.51 117.47 3h3f h ILE 141 Ca 0.21 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.46 3h3f h ILE 141 Cb 0.38 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 3h3f h ILE 141 CO 0.00 0.50 0.00 -0.07 0.00 0.00 0.00 178.15 178.59 3h3f h LEU 142 N 0.33 0.00 -0.08 1.44 3.38 -0.96 -0.45 115.31 118.97 3h3f h LEU 142 Ca 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 3h3f h LEU 142 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3h3f h LEU 142 CO 0.09 0.00 -0.24 0.74 0.09 0.00 0.00 178.44 179.12 3h3f h THR 143 N 0.00 1.41 0.18 0.22 2.02 -1.27 -2.12 112.91 113.35 3h3f h THR 143 Ca 0.00 -1.59 0.00 0.00 0.77 0.00 0.00 66.41 65.59 3h3f h THR 143 Cb 0.44 2.22 -0.03 0.00 -1.74 0.00 0.00 68.15 69.05 3h3f h THR 143 CO 0.00 0.46 -0.35 0.22 0.37 0.00 0.00 175.52 176.22 3h3f h TYR 144 N -0.16 -1.00 -0.85 3.16 3.20 -1.17 0.14 116.97 120.29 3h3f h TYR 144 Ca -0.01 0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.00 3h3f h TYR 144 Cb 0.86 0.41 -0.13 0.00 1.54 0.00 0.00 36.73 39.41 3h3f h TYR 144 CO 0.12 -0.42 -0.36 0.28 -1.64 0.00 0.00 178.16 176.14 3h3f n VAL 145 N -4.46 -0.47 -0.33 1.81 0.31 -0.24 -0.05 118.33 114.90 3h3f n VAL 145 Ca -0.07 2.00 -0.03 0.00 -0.01 0.00 0.00 64.34 66.23 3h3f n VAL 145 Cb 0.29 -2.62 0.09 0.00 -0.91 0.00 0.00 33.84 30.69 3h3f n VAL 145 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h3f h ALA 146 N 1.04 1.12 0.01 3.52 0.00 -1.02 0.37 119.26 124.30 3h3f h ALA 146 Ca 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3h3f h ALA 146 Cb 0.48 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3h3f h ALA 146 CO -0.84 0.53 -0.03 2.35 0.00 0.00 0.00 179.25 181.27 3h3f h TRP 147 N 1.20 -0.07 0.85 0.00 7.01 0.21 -2.11 115.95 123.04 3h3f h TRP 147 Ca 0.32 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.28 3h3f h TRP 147 Cb -0.13 0.03 0.01 0.00 -2.10 0.00 0.00 29.16 26.97 3h3f h TRP 147 CO -0.01 -0.04 -0.41 -0.22 -2.79 0.00 0.00 178.44 174.97 3h3f h LYS 148 N -0.05 -1.10 -0.30 2.65 1.63 0.38 -1.22 116.57 118.57 3h3f h LYS 148 Ca 0.01 0.07 0.09 0.00 -0.85 0.00 0.00 60.65 59.97 3h3f h LYS 148 Cb 0.06 0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 3h3f h LYS 148 CO -0.02 -0.72 0.25 0.82 -3.45 0.00 0.00 179.45 176.32 3h3f h ILE 149 N -1.21 0.67 0.00 2.00 2.04 -0.35 -3.11 117.51 117.55 3h3f h ILE 149 Ca -0.12 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.53 3h3f h ILE 149 Cb 0.88 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 3h3f h ILE 149 CO 0.19 0.00 -1.65 -1.54 0.00 0.00 0.00 178.15 175.15 3h3f n SER 150 N -4.17 0.69 0.00 1.72 3.41 -0.80 -4.82 113.62 109.65 3h3f n SER 150 Ca 0.04 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 3h3f n SER 150 Cb 0.41 0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 3h3f n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h3f n GLY 151 N 1.47 1.73 3.49 5.00 0.00 -0.51 -5.00 105.19 111.37 3h3f n GLY 151 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 3h3f n GLY 151 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3h3f n PHE 152 N -2.00 -0.52 -2.00 1.61 0.99 -1.26 -4.98 117.46 109.31 3h3f n PHE 152 Ca 0.00 0.40 -0.37 0.00 -0.00 0.00 0.00 57.45 57.48 3h3f n PHE 152 Cb 0.00 -1.96 0.02 0.00 -1.00 0.00 0.00 39.48 36.54 3h3f n PHE 152 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.76 174.62 3h3f s PRO 153 N -2.45 3.33 0.08 -1.08 0.02 -1.26 -4.94 135.00 128.70 3h3f s PRO 153 Ca 0.69 1.99 0.19 0.00 0.02 0.00 0.00 61.00 63.90 3h3f s PRO 153 Cb -0.40 -2.25 0.80 0.00 0.02 0.00 0.00 34.50 32.67 3h3f s PRO 153 CO 0.55 -0.96 1.61 0.36 -0.33 0.00 0.00 177.00 178.22 3h3f n LYS 154 N -0.93 0.07 0.22 5.54 2.85 -1.26 -1.83 118.16 122.82 3h3f n LYS 154 Ca 0.10 0.26 0.08 0.00 -1.05 0.00 0.00 58.31 57.70 3h3f n LYS 154 Cb 0.47 -1.62 0.52 0.00 -0.65 0.00 0.00 35.03 33.75 3h3f n LYS 154 CO 0.00 0.00 0.00 -2.95 -0.05 0.00 0.00 177.40 174.40 3h3f h ASN 155 N 0.00 0.00 -0.64 -5.58 -1.07 -1.86 -3.24 115.58 103.19 3h3f h ASN 155 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3h3f h ASN 155 Cb 0.34 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.59 3h3f h ASN 155 CO 0.00 0.25 0.00 0.54 0.07 0.00 0.00 177.43 178.29 3h3f n ARG 156 N -3.73 2.63 -3.89 4.14 1.74 -0.76 -1.20 116.66 115.59 3h3f n ARG 156 Ca -0.01 -2.36 -0.30 0.00 -0.77 0.00 0.00 57.85 54.41 3h3f n ARG 156 Cb 0.35 -1.55 -0.16 0.00 -1.02 0.00 0.00 32.46 30.09 3h3f n ARG 156 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3h3f s VAL 157 N -1.23 1.36 -0.03 1.55 1.01 -1.22 -1.12 120.40 120.71 3h3f s VAL 157 Ca 0.44 -1.26 0.07 0.00 0.00 0.00 0.00 61.98 61.23 3h3f s VAL 157 Cb 0.23 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 3h3f s VAL 157 CO 0.28 -0.25 -0.25 -0.63 0.00 0.00 0.00 175.10 174.25 3h3f s ILE 158 N 1.45 2.12 -0.13 2.22 1.01 0.66 -4.79 121.20 123.74 3h3f s ILE 158 Ca -0.01 -1.08 -0.02 0.00 0.00 0.00 0.00 60.65 59.54 3h3f s ILE 158 Cb -0.18 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 3h3f s ILE 158 CO -0.10 0.58 -0.04 -0.83 0.00 0.00 0.00 174.94 174.56 3h3f s GLY 159 N -0.54 1.73 0.19 6.18 0.00 -0.67 0.43 107.32 114.64 3h3f s GLY 159 Ca 0.08 -0.83 -0.12 0.00 0.00 0.00 0.00 44.72 43.84 3h3f s GLY 159 CO -0.00 -0.26 1.21 -1.26 0.00 0.00 0.00 173.10 172.79 3h3f n SER 160 N 3.07 -0.46 0.00 1.64 2.88 -0.62 0.56 113.62 120.68 3h3f n SER 160 Ca -0.18 1.36 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 3h3f n SER 160 Cb 0.53 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 3h3f n SER 160 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h3f n GLY 161 N -1.39 1.71 1.64 0.46 0.00 -1.26 -2.58 105.19 103.76 3h3f n GLY 161 Ca 0.09 -0.50 0.09 0.00 0.00 0.00 0.00 46.02 45.70 3h3f n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3f h ASN 163 N 3.94 -0.33 0.12 0.00 -1.24 -0.81 0.72 115.58 117.98 3h3f h ASN 163 Ca 0.00 0.09 -0.17 0.00 0.71 0.00 0.00 56.30 56.93 3h3f h ASN 163 Cb 1.60 0.20 -0.01 0.00 0.73 0.00 0.00 38.32 40.85 3h3f h ASN 163 CO 0.31 -0.12 -0.61 0.25 -1.29 0.00 0.00 177.43 175.96 3h3f h LEU 164 N -0.04 0.55 -0.11 0.34 5.85 -1.81 -2.13 115.31 117.96 3h3f h LEU 164 Ca 0.14 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.58 3h3f h LEU 164 Cb 0.25 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 3h3f h LEU 164 CO -0.30 1.03 -0.38 0.44 -0.34 0.00 0.00 178.44 178.89 3h3f h ASP 165 N 0.36 -1.17 -0.82 1.25 3.45 -1.79 0.22 116.42 117.92 3h3f h ASP 165 Ca -0.01 0.16 0.03 0.00 0.43 0.00 0.00 57.03 57.64 3h3f h ASP 165 Cb 1.16 0.48 -0.05 0.00 -0.56 0.00 0.00 39.33 40.37 3h3f h ASP 165 CO 0.11 -0.40 0.53 0.28 -1.57 0.00 0.00 179.24 178.19 3h3f h SER 166 N -0.47 0.89 -0.44 6.45 0.02 -0.83 -0.54 113.55 118.63 3h3f h SER 166 Ca 0.08 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 3h3f h SER 166 Cb 0.60 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 3h3f h SER 166 CO -0.37 0.62 0.24 0.00 -1.14 0.00 0.00 176.83 176.18 3h3f h ALA 167 N 1.33 0.56 -0.32 3.77 0.00 -0.69 -1.34 119.26 122.58 3h3f h ALA 167 Ca 0.32 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 3h3f h ALA 167 Cb -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3h3f h ALA 167 CO -0.10 -0.10 -0.13 0.00 0.00 0.00 0.00 179.25 178.92 3h3f h ARG 168 N 0.48 0.55 -0.31 0.00 3.08 -0.25 -2.15 114.38 115.77 3h3f h ARG 168 Ca 0.18 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 3h3f h ARG 168 Cb 0.06 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3h3f h ARG 168 CO -0.11 0.67 0.05 0.35 -1.07 0.00 0.00 179.97 179.86 3h3f h PHE 169 N 0.50 0.55 -0.25 3.04 -0.00 -0.56 -2.24 116.94 117.98 3h3f h PHE 169 Ca 0.09 -0.08 -0.08 0.00 -0.00 0.00 0.00 57.97 57.90 3h3f h PHE 169 Cb 0.52 -0.15 -0.01 0.00 -0.00 0.00 0.00 35.95 36.30 3h3f h PHE 169 CO 0.02 0.60 -0.20 0.00 -0.00 0.00 0.00 178.31 178.72 3h3f h ARG 170 N 0.35 0.45 -0.27 1.11 3.08 -1.13 0.35 114.38 118.31 3h3f h ARG 170 Ca 0.10 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 60.00 3h3f h ARG 170 Cb 0.34 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 3h3f h ARG 170 CO 0.01 0.64 0.16 -0.92 -1.07 0.00 0.00 179.97 178.79 3h3f h TYR 171 N 0.41 0.31 -0.19 3.04 3.20 -1.28 0.12 116.97 122.58 3h3f h TYR 171 Ca 0.07 0.01 -0.20 0.00 3.14 0.00 0.00 58.73 61.74 3h3f h TYR 171 Cb 0.59 -0.10 0.01 0.00 1.54 0.00 0.00 36.73 38.77 3h3f h TYR 171 CO 0.02 0.18 -0.67 -0.07 -1.64 0.00 0.00 178.16 175.98 3h3f h LEU 172 N 0.33 0.92 -0.37 2.82 3.38 -0.77 0.76 115.31 122.37 3h3f h LEU 172 Ca 0.11 -0.60 0.08 0.00 0.09 0.00 0.00 57.88 57.56 3h3f h LEU 172 Cb -0.01 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 40.38 3h3f h LEU 172 CO -0.05 1.36 -0.30 -0.03 0.09 0.00 0.00 178.44 179.52 3h3f h MET 173 N 0.53 -0.23 -0.70 1.13 4.05 -0.26 -2.14 114.93 117.31 3h3f h MET 173 Ca -0.03 0.02 0.09 0.00 -0.28 0.00 0.00 59.70 59.49 3h3f h MET 173 Cb 1.29 0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 32.08 3h3f h MET 173 CO 0.14 -0.15 0.36 0.78 0.23 0.00 0.00 176.91 178.26 3h3f h GLY 174 N -0.24 1.04 1.32 1.39 0.00 -0.59 -1.60 103.07 104.40 3h3f h GLY 174 Ca 0.17 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.28 3h3f h GLY 174 CO -0.51 0.08 0.45 -2.09 0.00 0.00 0.00 176.54 174.48 3h3f h GLU 175 N 0.62 0.91 -0.02 4.80 4.81 -0.29 -0.73 114.58 124.67 3h3f h GLU 175 Ca 0.34 -0.06 -0.22 0.00 -0.13 0.00 0.00 59.36 59.29 3h3f h GLU 175 Cb 0.33 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3h3f h GLU 175 CO -0.25 0.60 -0.91 0.00 -0.73 0.00 0.00 179.01 177.73 3h3f h ARG 176 N 0.93 0.47 0.00 1.92 3.08 -1.01 -3.32 114.38 116.46 3h3f h ARG 176 Ca 0.25 -0.47 0.00 0.00 0.07 0.00 0.00 59.98 59.83 3h3f h ARG 176 Cb -0.10 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3h3f h ARG 176 CO -0.05 1.12 -0.51 -0.07 -1.07 0.00 0.00 179.97 179.38 3h3f h LEU 177 N 0.28 0.00 -0.10 3.04 4.07 -1.13 -3.48 115.31 117.99 3h3f h LEU 177 Ca -0.07 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.87 3h3f h LEU 177 Cb 1.53 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.27 3h3f h LEU 177 CO 0.16 0.01 0.00 0.61 -1.08 0.00 0.00 178.44 178.14 3h3f n GLY 178 N 1.17 0.46 3.13 0.83 0.00 -0.30 -5.07 105.19 105.41 3h3f n GLY 178 Ca 0.02 -0.85 -0.14 0.00 0.00 0.00 0.00 46.02 45.05 3h3f n GLY 178 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h3f s VAL 179 N -2.10 0.78 0.39 1.61 1.01 -1.09 -5.07 120.40 115.94 3h3f s VAL 179 Ca 0.00 -1.35 -0.27 0.00 0.00 0.00 0.00 61.98 60.36 3h3f s VAL 179 Cb 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 35.27 3h3f s VAL 179 CO 0.00 -0.44 1.44 1.57 0.00 0.00 0.00 175.10 177.67 3h3f n HIS 180 N 1.05 2.79 -0.03 5.22 -0.00 -1.26 -4.40 115.22 118.59 3h3f n HIS 180 Ca -0.20 0.46 0.20 0.00 -0.00 0.00 0.00 57.72 58.18 3h3f n HIS 180 Cb 0.56 -2.49 0.66 0.00 -0.00 0.00 0.00 29.99 28.72 3h3f n HIS 180 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3h3f h ALA 181 N 2.69 2.46 -0.36 1.57 0.00 -1.89 -0.42 119.26 123.31 3h3f h ALA 181 Ca -0.50 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.50 3h3f h ALA 181 Cb 1.26 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3h3f h ALA 181 CO 0.63 -0.63 0.32 -0.07 0.00 0.00 0.00 179.25 179.51 3h3f h LEU 182 N 0.06 0.00 -0.33 0.00 4.07 -1.90 -1.95 115.31 115.26 3h3f h LEU 182 Ca 0.28 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.24 3h3f h LEU 182 Cb 1.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.76 3h3f h LEU 182 CO -0.02 0.00 -0.77 -1.20 -1.08 0.00 0.00 178.44 175.37 3h3f n SER 183 N -3.98 1.29 -4.64 -0.43 7.64 -0.17 -4.87 113.62 108.46 3h3f n SER 183 Ca 0.06 -1.11 -0.35 0.00 1.01 0.00 0.00 58.87 58.48 3h3f n SER 183 Cb 0.49 0.75 -0.10 0.00 -1.01 0.00 0.00 64.21 64.35 3h3f n SER 183 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h3f s HIS 185 N 0.75 2.46 -0.25 0.00 0.09 -0.58 -4.84 115.29 112.92 3h3f s HIS 185 Ca 0.06 -0.33 -0.35 0.00 -0.00 0.00 0.00 55.06 54.44 3h3f s HIS 185 Cb -0.13 -1.50 0.16 0.00 -0.00 0.00 0.00 32.58 31.11 3h3f s HIS 185 CO 0.02 0.11 1.31 0.20 -0.00 0.00 0.00 174.74 176.37 3h3f s GLY 186 N -0.94 -0.17 -0.10 -2.22 0.00 -1.26 -1.79 107.32 100.83 3h3f s GLY 186 Ca 0.12 2.02 -0.00 0.00 0.00 0.00 0.00 44.72 46.85 3h3f s GLY 186 CO 0.01 0.72 -0.08 -0.98 0.00 0.00 0.00 173.10 172.77 3h3f s TRP 187 N -1.91 1.42 -0.25 1.90 0.52 -1.26 -4.84 118.94 114.52 3h3f s TRP 187 Ca 0.10 -0.67 -0.11 0.00 0.02 0.00 0.00 56.10 55.44 3h3f s TRP 187 Cb -0.01 -1.18 -0.05 0.00 -1.15 0.00 0.00 33.47 31.09 3h3f s TRP 187 CO -0.04 -0.47 0.17 0.42 0.02 0.00 0.00 176.95 177.05 3h3f s ILE 188 N 1.56 5.35 0.30 2.03 1.01 -1.26 -1.19 121.20 129.00 3h3f s ILE 188 Ca 0.02 0.18 0.06 0.00 0.00 0.00 0.00 60.65 60.91 3h3f s ILE 188 Cb -0.13 -3.51 -0.06 0.00 0.01 0.00 0.00 42.46 38.77 3h3f s ILE 188 CO -0.06 0.32 -0.03 -0.76 0.00 0.00 0.00 174.94 174.41 3h3f s LEU 189 N 1.26 2.46 0.00 2.97 1.02 -0.56 -4.72 118.68 121.11 3h3f s LEU 189 Ca 0.07 -1.25 0.00 0.00 0.02 0.00 0.00 54.13 52.97 3h3f s LEU 189 Cb -0.14 -0.62 0.00 0.00 0.02 0.00 0.00 46.19 45.45 3h3f s LEU 189 CO 0.06 -0.41 0.00 0.61 0.02 0.00 0.00 176.35 176.64 3h3f n GLY 190 N -0.65 0.68 3.73 -3.19 0.00 -0.60 0.15 105.19 105.31 3h3f n GLY 190 Ca -0.05 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.61 3h3f n GLY 190 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3h3f s GLU 191 N 0.00 4.20 0.44 1.61 2.12 -1.26 -1.12 118.70 124.68 3h3f s GLU 191 Ca 0.00 -0.07 -0.25 0.00 0.36 0.00 0.00 54.97 55.01 3h3f s GLU 191 Cb 0.00 -3.41 -0.08 0.00 0.26 0.00 0.00 34.13 30.89 3h3f s GLU 191 CO 0.00 0.29 1.36 -1.58 -0.54 0.00 0.00 175.26 174.79 3h3f s HIS 192 N 0.36 2.62 0.00 5.30 5.65 -1.26 -2.30 115.29 125.65 3h3f s HIS 192 Ca 0.12 1.34 0.00 0.00 0.25 0.00 0.00 55.06 56.77 3h3f s HIS 192 Cb -0.12 -3.79 0.00 0.00 -1.18 0.00 0.00 32.58 27.49 3h3f s HIS 192 CO 0.01 -2.53 0.00 0.41 -0.65 0.00 0.00 174.74 171.98 3h3f n GLY 193 N 0.62 0.34 0.09 1.59 0.00 -1.26 -4.51 105.19 102.06 3h3f n GLY 193 Ca 0.05 -1.67 0.12 0.00 0.00 0.00 0.00 46.02 44.51 3h3f n GLY 193 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3h3f n ASP 194 N 0.24 0.54 -0.84 1.61 3.85 -1.26 -2.45 116.55 118.23 3h3f n ASP 194 Ca 0.00 0.60 0.09 0.00 -0.71 0.00 0.00 54.79 54.77 3h3f n ASP 194 Cb 0.00 -0.72 0.25 0.00 -1.35 0.00 0.00 41.12 39.30 3h3f n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3h3f n SER 195 N -2.05 2.47 -4.74 -1.12 7.64 -1.26 -4.97 113.62 109.59 3h3f n SER 195 Ca 0.04 -1.93 -0.33 0.00 1.01 0.00 0.00 58.87 57.66 3h3f n SER 195 Cb 0.29 -0.26 0.09 0.00 -1.01 0.00 0.00 64.21 63.32 3h3f n SER 195 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3h3f s SER 196 N -1.20 4.37 -0.32 6.43 1.04 -0.97 -4.50 113.70 118.54 3h3f s SER 196 Ca 0.33 2.11 -0.01 0.00 0.48 0.00 0.00 55.95 58.87 3h3f s SER 196 Cb 0.18 -2.56 0.07 0.00 0.10 0.00 0.00 66.02 63.80 3h3f s SER 196 CO 0.24 -2.14 0.03 -0.69 0.98 0.00 0.00 173.24 171.67 3h3f s VAL 197 N -2.37 2.89 -0.18 5.02 1.01 0.40 -4.91 120.40 122.26 3h3f s VAL 197 Ca 0.68 -1.63 -0.29 0.00 0.00 0.00 0.00 61.98 60.74 3h3f s VAL 197 Cb -0.23 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 3h3f s VAL 197 CO 0.48 -0.26 1.41 -2.16 0.00 0.00 0.00 175.10 174.57 3h3f s PRO 198 N 1.18 4.08 -1.03 2.72 0.04 -1.26 -1.50 135.00 139.24 3h3f s PRO 198 Ca -0.01 1.68 -0.17 0.00 0.04 0.00 0.00 61.00 62.53 3h3f s PRO 198 Cb -0.20 -3.88 0.14 0.00 0.04 0.00 0.00 34.50 30.60 3h3f s PRO 198 CO -0.03 -0.92 1.25 0.08 0.04 0.00 0.00 177.00 177.42 3h3f s VAL 199 N 4.09 4.78 0.42 -0.36 1.01 -0.33 -4.86 120.40 125.14 3h3f s VAL 199 Ca 0.62 -1.88 0.11 0.00 0.00 0.00 0.00 61.98 60.83 3h3f s VAL 199 Cb -0.23 -4.84 0.31 0.00 0.00 0.00 0.00 36.38 31.62 3h3f s VAL 199 CO 0.22 -1.57 1.99 -0.50 0.00 0.00 0.00 175.10 175.23 3h3f h TRP 200 N 8.33 0.51 0.00 5.22 4.06 -1.91 -2.80 115.95 129.36 3h3f h TRP 200 Ca 0.21 0.01 -0.06 0.00 2.06 0.00 0.00 58.89 61.11 3h3f h TRP 200 Cb 0.97 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 28.96 3h3f h TRP 200 CO 1.16 0.26 -0.30 0.66 -3.56 0.00 0.00 178.44 176.66 3h3f h SER 201 N 0.50 0.00 -0.39 -3.49 4.64 -1.95 -3.09 113.55 109.77 3h3f h SER 201 Ca 0.27 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.45 3h3f h SER 201 Cb 0.41 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.41 3h3f h SER 201 CO -0.08 0.30 0.03 0.61 -0.87 0.00 0.00 176.83 176.82 3h3f n GLY 202 N -0.68 4.48 3.73 -0.77 0.00 -1.06 -4.82 105.19 106.07 3h3f n GLY 202 Ca -0.02 -1.14 -0.40 0.00 0.00 0.00 0.00 46.02 44.46 3h3f n GLY 202 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h3f s MET 203 N -3.08 4.53 0.14 1.61 -1.94 -1.17 -4.58 119.30 114.81 3h3f s MET 203 Ca 0.45 1.16 -0.25 0.00 -1.71 0.00 0.00 55.69 55.34 3h3f s MET 203 Cb 0.39 -3.40 0.07 0.00 2.01 0.00 0.00 34.83 33.90 3h3f s MET 203 CO 0.05 0.16 0.89 0.54 -0.01 0.00 0.00 175.02 176.65 3h3f s ASN 204 N 0.33 -0.25 -0.06 3.03 4.22 -0.74 -1.21 114.94 120.26 3h3f s ASN 204 Ca 0.42 -0.32 0.04 0.00 -2.14 0.00 0.00 52.86 50.86 3h3f s ASN 204 Cb -0.20 0.50 0.00 0.00 1.28 0.00 0.00 41.25 42.83 3h3f s ASN 204 CO 0.24 -0.90 -0.18 -0.69 -2.04 0.00 0.00 177.10 173.53 3h3f s VAL 205 N -3.36 1.50 -1.22 3.54 1.01 -1.18 -1.53 120.40 119.17 3h3f s VAL 205 Ca 0.10 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.25 3h3f s VAL 205 Cb -0.02 -1.30 0.08 0.00 0.00 0.00 0.00 36.38 35.14 3h3f s VAL 205 CO -0.00 0.43 0.44 0.00 0.00 0.00 0.00 175.10 175.96 3h3f n ALA 206 N 3.32 -1.06 -0.93 5.51 0.00 -1.26 -0.33 120.51 125.76 3h3f n ALA 206 Ca -0.19 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3h3f n ALA 206 Cb 0.53 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.48 3h3f n ALA 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h3f n GLY 207 N -1.09 0.66 3.45 0.00 0.00 -1.26 -4.99 105.19 101.96 3h3f n GLY 207 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 3h3f n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h3f s VAL 208 N -2.84 5.24 -0.28 1.61 0.11 0.55 -5.02 120.40 119.78 3h3f s VAL 208 Ca 0.00 -0.68 -0.32 0.00 -2.93 0.00 0.00 61.98 58.05 3h3f s VAL 208 Cb 0.00 -3.97 -0.09 0.00 -1.53 0.00 0.00 36.38 30.80 3h3f s VAL 208 CO 0.00 -0.36 2.19 -0.24 -3.33 0.00 0.00 175.10 173.36 3h3f n SER 209 N 5.21 2.70 -0.15 3.54 2.88 -1.26 -3.11 113.62 123.43 3h3f n SER 209 Ca -0.11 0.35 0.14 0.00 -1.33 0.00 0.00 58.87 57.92 3h3f n SER 209 Cb 0.47 -1.40 0.49 0.00 -0.75 0.00 0.00 64.21 63.02 3h3f n SER 209 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3h3f h LEU 210 N 13.40 0.41 -0.46 2.46 4.07 -1.50 -2.28 115.31 131.42 3h3f h LEU 210 Ca -0.34 0.02 0.03 0.00 0.08 0.00 0.00 57.88 57.66 3h3f h LEU 210 Cb 1.28 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.92 3h3f h LEU 210 CO 0.99 0.22 0.25 0.50 -1.08 0.00 0.00 178.44 179.32 3h3f h LYS 211 N 0.45 0.49 -0.01 1.13 1.63 -1.77 0.26 116.57 118.75 3h3f h LYS 211 Ca 0.35 -0.03 -0.15 0.00 -0.85 0.00 0.00 60.65 59.97 3h3f h LYS 211 Cb 0.74 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.24 3h3f h LYS 211 CO -0.11 0.32 -0.71 1.15 -3.45 0.00 0.00 179.45 176.65 3h3f h THR 212 N 0.50 1.49 0.05 1.00 2.02 -1.79 -2.79 112.91 113.39 3h3f h THR 212 Ca 0.19 -2.38 -0.23 0.00 0.77 0.00 0.00 66.41 64.75 3h3f h THR 212 Cb 0.06 2.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 3h3f h THR 212 CO -0.11 0.68 -1.04 0.25 0.37 0.00 0.00 175.52 175.67 3h3f h LEU 213 N 0.02 0.29 -7.04 2.58 5.85 -1.39 -3.43 115.31 112.20 3h3f h LEU 213 Ca -0.01 -0.28 -0.58 0.00 0.84 0.00 0.00 57.88 57.85 3h3f h LEU 213 Cb 1.25 -0.09 -0.40 0.00 0.37 0.00 0.00 40.66 41.79 3h3f h LEU 213 CO 0.09 1.15 -0.76 -2.28 -0.34 0.00 0.00 178.44 176.31 3h3f s HIS 214 N -2.91 1.46 0.25 1.25 2.46 0.90 -5.02 115.29 113.68 3h3f s HIS 214 Ca -0.03 -1.67 -0.00 0.00 0.47 0.00 0.00 55.06 53.83 3h3f s HIS 214 Cb 0.09 -1.56 0.31 0.00 -0.13 0.00 0.00 32.58 31.29 3h3f s HIS 214 CO 0.85 -0.86 1.68 -1.35 -2.47 0.00 0.00 174.74 172.59 3h3f h PRO 215 N 7.93 0.60 -1.08 2.88 0.11 -1.81 -3.10 132.00 137.53 3h3f h PRO 215 Ca -0.12 -0.24 -0.30 0.00 0.11 0.00 0.00 66.00 65.45 3h3f h PRO 215 Cb 1.00 -0.03 -0.17 0.00 0.11 0.00 0.00 31.00 31.91 3h3f h PRO 215 CO 0.46 0.80 0.38 -0.85 -0.21 0.00 0.00 178.00 178.57 3h3f n GLU 216 N -4.11 1.72 -3.15 1.05 0.28 -1.26 -4.90 120.64 110.27 3h3f n GLU 216 Ca -0.00 -1.67 -0.41 0.00 -0.16 0.00 0.00 57.16 54.93 3h3f n GLU 216 Cb 0.42 -1.65 -0.07 0.00 1.43 0.00 0.00 31.44 31.57 3h3f n GLU 216 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 3h3f s LEU 217 N -1.85 4.09 -0.22 -1.84 2.96 -1.17 -3.44 118.68 117.22 3h3f s LEU 217 Ca 0.32 0.54 0.00 0.00 -0.22 0.00 0.00 54.13 54.77 3h3f s LEU 217 Cb 0.26 -2.77 0.00 0.00 0.50 0.00 0.00 46.19 44.18 3h3f s LEU 217 CO 0.05 -0.38 0.00 0.61 -1.32 0.00 0.00 176.35 175.31 3h3f n GLY 218 N 4.34 0.56 3.82 7.98 0.00 -1.26 -5.00 105.19 115.63 3h3f n GLY 218 Ca -0.02 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 3h3f n GLY 218 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h3f s THR 219 N -2.03 4.76 0.07 2.61 2.01 -1.22 -4.89 115.64 116.95 3h3f s THR 219 Ca 0.00 -0.73 -0.30 0.00 0.31 0.00 0.00 61.69 60.96 3h3f s THR 219 Cb 0.00 -3.34 -0.18 0.00 0.01 0.00 0.00 72.50 68.99 3h3f s THR 219 CO 0.00 0.07 1.61 0.44 -0.69 0.00 0.00 174.62 176.05 3h3f h ASP 220 N 3.02 -0.60 0.00 3.53 3.32 -1.97 -2.40 116.42 121.33 3h3f h ASP 220 Ca -0.47 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3h3f h ASP 220 Cb 1.17 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.88 3h3f h ASP 220 CO 0.68 -0.40 0.00 0.00 -1.72 0.00 0.00 179.24 177.79 3h3f n ALA 221 N -2.41 1.23 -2.20 3.45 0.00 -1.26 -4.71 120.51 114.61 3h3f n ALA 221 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.90 3h3f n ALA 221 Cb 0.30 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 3h3f n ALA 221 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3h3f s ASP 222 N -1.62 5.97 0.24 0.00 -1.08 -0.90 -4.87 116.67 114.40 3h3f s ASP 222 Ca 0.00 0.75 0.02 0.00 -0.52 0.00 0.00 52.55 52.80 3h3f s ASP 222 Cb 0.00 -2.54 0.60 0.00 -1.46 0.00 0.00 42.92 39.52 3h3f s ASP 222 CO 0.00 -1.75 1.19 0.29 0.52 0.00 0.00 175.17 175.43 3h3f n LYS 223 N 8.52 -0.06 0.07 4.34 5.02 -1.26 -0.86 118.16 133.92 3h3f n LYS 223 Ca 0.18 1.14 0.02 0.00 -2.02 0.00 0.00 58.31 57.63 3h3f n LYS 223 Cb 0.49 -1.82 -0.05 0.00 -0.02 0.00 0.00 35.03 33.63 3h3f n LYS 223 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3h3f h GLU 224 N 0.00 0.00 -1.99 1.97 5.08 -1.90 -3.48 114.58 114.26 3h3f h GLU 224 Ca 0.47 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.75 3h3f h GLU 224 Cb 0.98 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.26 3h3f h GLU 224 CO -0.71 0.27 -0.13 1.04 -1.00 0.00 0.00 179.01 178.48 3h3f n GLN 225 N -2.92 -1.50 0.29 2.33 6.02 -0.04 -4.88 117.38 116.69 3h3f n GLN 225 Ca -0.06 0.16 0.16 0.00 -0.01 0.00 0.00 57.00 57.25 3h3f n GLN 225 Cb 0.77 -3.14 0.90 0.00 1.02 0.00 0.00 30.24 29.79 3h3f n GLN 225 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 3h3f h TRP 226 N -0.50 0.00 -0.73 1.08 4.06 -1.88 0.11 115.95 118.08 3h3f h TRP 226 Ca -0.11 0.00 0.09 0.00 2.06 0.00 0.00 58.89 60.93 3h3f h TRP 226 Cb 1.07 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.18 3h3f h TRP 226 CO 0.09 0.05 0.48 -0.22 -3.56 0.00 0.00 178.44 175.28 3h3f h LYS 227 N 0.00 0.65 0.00 0.49 3.64 -1.90 0.89 116.57 120.34 3h3f h LYS 227 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3h3f h LYS 227 Cb 0.18 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3h3f h LYS 227 CO 0.01 0.43 0.00 0.37 -2.27 0.00 0.00 179.45 177.98 3h3f h GLN 228 N 0.67 0.00 -0.07 1.90 4.15 -1.15 -2.05 115.11 118.55 3h3f h GLN 228 Ca 0.33 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.54 3h3f h GLN 228 Cb 0.41 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.11 3h3f h GLN 228 CO -0.12 0.00 -0.76 0.28 -1.93 0.00 0.00 178.83 176.30 3h3f h VAL 229 N 0.00 1.32 0.00 2.39 2.07 -0.94 -1.58 116.25 119.51 3h3f h VAL 229 Ca 0.00 -2.03 -0.03 0.00 0.82 0.00 0.00 66.70 65.45 3h3f h VAL 229 Cb 0.01 2.25 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 3h3f h VAL 229 CO 0.00 0.62 -0.16 -0.74 0.02 0.00 0.00 177.57 177.31 3h3f h HIS 230 N 0.29 0.00 -0.72 1.57 -0.00 -1.48 -2.01 115.15 112.80 3h3f h HIS 230 Ca -0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.28 3h3f h HIS 230 Cb 1.42 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.79 3h3f h HIS 230 CO 0.11 0.16 0.39 -0.22 -0.00 0.00 0.00 177.93 178.37 3h3f h LYS 231 N 0.00 1.01 -0.30 5.26 1.63 -1.21 -2.45 116.57 120.51 3h3f h LYS 231 Ca -0.00 -0.12 -0.17 0.00 -0.85 0.00 0.00 60.65 59.50 3h3f h LYS 231 Cb 0.38 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 31.81 3h3f h LYS 231 CO 0.02 0.76 -0.49 1.96 -3.45 0.00 0.00 179.45 178.25 3h3f h GLN 232 N 0.99 0.83 -0.45 1.90 4.20 -0.59 -1.73 115.11 120.27 3h3f h GLN 232 Ca 0.25 -0.49 -0.02 0.00 0.06 0.00 0.00 58.65 58.45 3h3f h GLN 232 Cb 0.05 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3h3f h GLN 232 CO -0.04 1.13 0.20 0.28 -0.67 0.00 0.00 178.83 179.73 3h3f h VAL 233 N 0.65 1.19 -0.01 -0.54 2.07 -1.34 -1.04 116.25 117.24 3h3f h VAL 233 Ca 0.03 -0.55 -0.14 0.00 0.82 0.00 0.00 66.70 66.86 3h3f h VAL 233 Cb 1.08 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 3h3f h VAL 233 CO 0.11 0.21 -0.64 -0.37 0.02 0.00 0.00 177.57 176.90 3h3f h VAL 234 N 0.58 1.45 0.00 2.57 -1.51 -1.39 -3.07 116.25 114.88 3h3f h VAL 234 Ca 0.15 -2.18 0.00 0.00 -1.23 0.00 0.00 66.70 63.44 3h3f h VAL 234 Cb 0.14 2.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.47 3h3f h VAL 234 CO -0.02 0.63 -0.04 0.47 -1.23 0.00 0.00 177.57 177.38 3h3f n ASP 235 N -3.79 0.56 -0.26 4.19 8.00 -0.66 -4.56 116.55 120.05 3h3f n ASP 235 Ca -0.01 0.52 0.08 0.00 0.71 0.00 0.00 54.79 56.08 3h3f n ASP 235 Cb 0.64 -0.65 0.33 0.00 -0.02 0.00 0.00 41.12 41.42 3h3f n ASP 235 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3h3f h SER 236 N 0.00 0.74 0.10 -2.24 0.02 -1.08 -1.08 113.55 110.01 3h3f h SER 236 Ca 0.00 0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 60.81 3h3f h SER 236 Cb 0.66 -0.13 0.02 0.00 0.14 0.00 0.00 62.40 63.09 3h3f h SER 236 CO 0.00 0.44 -0.69 0.00 -1.14 0.00 0.00 176.83 175.43 3h3f h ALA 237 N 1.57 -0.05 -0.65 3.77 0.00 -1.80 -1.37 119.26 120.73 3h3f h ALA 237 Ca 0.39 -0.65 0.13 0.00 0.00 0.00 0.00 54.91 54.79 3h3f h ALA 237 Cb 0.43 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.19 3h3f h ALA 237 CO -0.16 0.33 0.06 -0.92 0.00 0.00 0.00 179.25 178.56 3h3f h TYR 238 N -0.38 0.06 -0.14 0.00 5.03 -1.70 0.39 116.97 120.22 3h3f h TYR 238 Ca -0.12 0.04 -0.16 0.00 2.58 0.00 0.00 58.73 61.08 3h3f h TYR 238 Cb 1.52 0.07 -0.01 0.00 1.55 0.00 0.00 36.73 39.86 3h3f h TYR 238 CO 0.20 -0.13 -0.59 0.93 -1.32 0.00 0.00 178.16 177.24 3h3f h GLU 239 N 0.17 0.45 -0.04 1.82 4.39 -1.26 0.32 114.58 120.42 3h3f h GLU 239 Ca 0.35 -0.30 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 3h3f h GLU 239 Cb 0.56 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 3h3f h GLU 239 CO -0.51 0.91 -0.14 0.28 -1.16 0.00 0.00 179.01 178.38 3h3f h VAL 240 N 0.34 1.46 -0.55 3.13 2.07 -0.03 -2.55 116.25 120.12 3h3f h VAL 240 Ca -0.00 -1.56 0.08 0.00 0.82 0.00 0.00 66.70 66.04 3h3f h VAL 240 Cb 1.13 2.38 -0.07 0.00 -1.52 0.00 0.00 31.29 33.21 3h3f h VAL 240 CO 0.10 0.43 0.18 0.40 0.02 0.00 0.00 177.57 178.70 3h3f h ILE 241 N -0.38 0.77 -0.71 4.57 2.04 -0.26 -0.96 117.51 122.58 3h3f h ILE 241 Ca -0.01 -0.12 0.14 0.00 1.00 0.00 0.00 64.86 65.88 3h3f h ILE 241 Cb 0.77 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 3h3f h ILE 241 CO 0.03 0.06 0.48 0.50 0.00 0.00 0.00 178.15 179.22 3h3f h LYS 242 N 0.34 0.35 0.12 2.37 3.64 -0.30 0.26 116.57 123.35 3h3f h LYS 242 Ca 0.27 -0.02 -0.33 0.00 -1.27 0.00 0.00 60.65 59.30 3h3f h LYS 242 Cb 0.33 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3h3f h LYS 242 CO -0.30 0.23 -1.74 -0.07 -2.27 0.00 0.00 179.45 175.30 3h3f h LEU 243 N 0.36 0.38 -0.52 5.20 3.38 -0.89 -3.42 115.31 119.80 3h3f h LEU 243 Ca 0.34 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.44 3h3f h LEU 243 Cb 0.84 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3h3f h LEU 243 CO -0.10 1.75 -0.02 2.29 0.09 0.00 0.00 178.44 182.45 3h3f n LYS 244 N -3.72 2.89 -0.02 1.13 2.85 -0.45 -5.02 118.16 115.82 3h3f n LYS 244 Ca -0.30 -0.28 0.00 0.00 -1.05 0.00 0.00 58.31 56.68 3h3f n LYS 244 Cb 0.97 -0.78 0.00 0.00 -0.65 0.00 0.00 35.03 34.57 3h3f n LYS 244 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3h3f n GLY 245 N 0.54 0.38 0.00 2.58 0.00 0.08 -5.00 105.19 103.76 3h3f n GLY 245 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3h3f n GLY 245 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3h3f n TYR 246 N -2.00 0.00 -4.31 1.61 0.18 -1.25 -4.86 117.16 106.52 3h3f n TYR 246 Ca 0.00 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.55 3h3f n TYR 246 Cb 0.00 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 38.84 3h3f n TYR 246 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 3h3f s THR 247 N -2.00 1.79 0.22 -3.48 -4.23 -1.26 -4.25 115.64 102.43 3h3f s THR 247 Ca 0.00 -1.74 0.00 0.00 -1.18 0.00 0.00 61.69 58.77 3h3f s THR 247 Cb 0.00 -1.71 0.00 0.00 1.34 0.00 0.00 72.50 72.13 3h3f s THR 247 CO 0.00 -0.18 0.00 0.35 -0.54 0.00 0.00 174.62 174.25 3h3f n THR 248 N 0.69 0.00 -0.16 3.99 -2.24 -1.26 -4.66 114.28 110.63 3h3f n THR 248 Ca -0.16 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.57 3h3f n THR 248 Cb 0.55 -0.20 0.05 0.00 -2.10 0.00 0.00 70.33 68.63 3h3f n THR 248 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 3h3f h TRP 249 N 0.00 0.48 -0.12 4.78 4.06 -1.96 -2.17 115.95 121.00 3h3f h TRP 249 Ca 0.00 0.02 -0.23 0.00 2.06 0.00 0.00 58.89 60.74 3h3f h TRP 249 Cb 0.00 -0.14 0.01 0.00 -1.00 0.00 0.00 29.16 28.03 3h3f h TRP 249 CO 0.00 0.24 -0.82 0.00 -3.56 0.00 0.00 178.44 174.30 3h3f h ALA 250 N 1.26 0.26 -0.73 1.49 0.00 -1.98 -0.40 119.26 119.16 3h3f h ALA 250 Ca 0.22 -0.61 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 3h3f h ALA 250 Cb 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3h3f h ALA 250 CO -0.15 0.67 0.21 0.97 0.00 0.00 0.00 179.25 180.95 3h3f h ILE 251 N 0.49 1.26 -0.18 0.00 6.09 -1.90 -1.20 117.51 122.07 3h3f h ILE 251 Ca -0.07 -0.94 -0.17 0.00 -1.37 0.00 0.00 64.86 62.32 3h3f h ILE 251 Cb 1.45 0.48 0.00 0.00 0.47 0.00 0.00 36.82 39.23 3h3f h ILE 251 CO 0.17 0.37 -0.55 1.23 -3.07 0.00 0.00 178.15 176.29 3h3f h GLY 252 N 1.09 0.76 0.55 8.18 0.00 -1.26 -1.10 103.07 111.29 3h3f h GLY 252 Ca 0.23 -0.98 0.12 0.00 0.00 0.00 0.00 47.33 46.70 3h3f h GLY 252 CO -0.00 0.88 0.60 1.41 0.00 0.00 0.00 176.54 179.43 3h3f h LEU 253 N 0.39 0.83 -0.12 3.11 3.38 -1.05 -0.24 115.31 121.61 3h3f h LEU 253 Ca -0.02 0.04 -0.24 0.00 0.09 0.00 0.00 57.88 57.75 3h3f h LEU 253 Cb 1.17 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.80 3h3f h LEU 253 CO 0.12 0.45 -0.97 0.77 0.09 0.00 0.00 178.44 178.89 3h3f h SER 254 N 0.89 0.65 -0.33 -0.43 4.64 -0.87 -2.98 113.55 115.13 3h3f h SER 254 Ca 0.46 -0.52 -0.09 0.00 -0.47 0.00 0.00 61.79 61.18 3h3f h SER 254 Cb 0.53 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 3h3f h SER 254 CO -0.23 1.32 -0.09 0.58 -0.87 0.00 0.00 176.83 177.54 3h3f h VAL 255 N 0.28 1.25 0.00 0.95 2.07 -1.19 -2.92 116.25 116.69 3h3f h VAL 255 Ca -0.09 -1.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 3h3f h VAL 255 Cb 1.61 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 3h3f h VAL 255 CO 0.18 0.38 -0.13 0.00 0.02 0.00 0.00 177.57 178.02 3h3f h ALA 256 N 1.22 1.52 -0.03 1.67 0.00 -0.95 -1.18 119.26 121.51 3h3f h ALA 256 Ca 0.12 -0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 3h3f h ALA 256 Cb 0.55 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.32 3h3f h ALA 256 CO 0.03 0.16 -0.93 0.22 0.00 0.00 0.00 179.25 178.74 3h3f h ASP 257 N 0.00 0.68 -0.22 0.00 -0.00 -1.37 -2.07 116.42 113.44 3h3f h ASP 257 Ca -0.00 -0.52 -0.09 0.00 -0.00 0.00 0.00 57.03 56.43 3h3f h ASP 257 Cb 0.28 -0.21 -0.02 0.00 -0.00 0.00 0.00 39.33 39.39 3h3f h ASP 257 CO 0.02 1.31 -0.14 -0.07 -0.00 0.00 0.00 179.24 180.36 3h3f h LEU 258 N 0.32 0.61 -0.25 2.28 3.38 -1.30 -2.81 115.31 117.55 3h3f h LEU 258 Ca -0.08 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 3h3f h LEU 258 Cb 1.56 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 3h3f h LEU 258 CO 0.17 0.78 0.15 0.00 0.09 0.00 0.00 178.44 179.62 3h3f h ALA 259 N 1.28 0.32 -0.74 1.53 0.00 -1.05 -1.63 119.26 118.97 3h3f h ALA 259 Ca 0.10 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.05 3h3f h ALA 259 Cb 0.57 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 3h3f h ALA 259 CO 0.04 -0.18 0.40 1.49 0.00 0.00 0.00 179.25 180.99 3h3f h GLU 260 N 0.31 0.67 -0.48 0.00 4.81 -1.27 0.28 114.58 118.91 3h3f h GLU 260 Ca 0.09 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.15 3h3f h GLU 260 Cb 0.02 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 3h3f h GLU 260 CO -0.02 0.44 -0.19 0.77 -0.73 0.00 0.00 179.01 179.28 3h3f h SER 261 N 0.69 1.00 0.64 1.04 0.02 -1.20 0.26 113.55 115.99 3h3f h SER 261 Ca 0.35 -0.39 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 3h3f h SER 261 Cb 0.32 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.59 3h3f h SER 261 CO -0.24 1.16 -0.31 0.40 -1.14 0.00 0.00 176.83 176.71 3h3f h ILE 262 N 0.83 0.00 -0.69 3.27 2.04 -0.92 -0.87 117.51 121.17 3h3f h ILE 262 Ca 0.11 -0.06 0.05 0.00 1.00 0.00 0.00 64.86 65.97 3h3f h ILE 262 Cb 0.77 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 3h3f h ILE 262 CO 0.06 0.00 0.45 0.24 0.00 0.00 0.00 178.15 178.91 3h3f h MET 263 N -0.91 0.73 -0.02 2.37 2.86 -0.47 -2.83 114.93 116.65 3h3f h MET 263 Ca -0.09 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3h3f h MET 263 Cb 0.66 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.15 3h3f h MET 263 CO 0.14 0.48 -0.00 1.63 1.06 0.00 0.00 176.91 180.22 3h3f n LYS 264 N -4.47 2.04 -3.60 1.72 5.02 0.92 -4.96 118.16 114.82 3h3f n LYS 264 Ca 0.09 -1.52 -0.26 0.00 -2.02 0.00 0.00 58.31 54.60 3h3f n LYS 264 Cb 0.19 -1.47 0.05 0.00 -0.02 0.00 0.00 35.03 33.78 3h3f n LYS 264 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3h3f n ASN 265 N 0.85 -5.74 0.19 4.39 5.15 -0.54 -4.93 115.26 114.64 3h3f n ASN 265 Ca 0.16 -0.57 0.03 0.00 -0.60 0.00 0.00 54.58 53.60 3h3f n ASN 265 Cb 0.50 -4.56 0.39 0.00 -0.53 0.00 0.00 39.78 35.58 3h3f n ASN 265 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3h3f h LEU 266 N -2.23 0.00 -1.05 1.20 3.38 -1.40 -3.44 115.31 111.78 3h3f h LEU 266 Ca -0.56 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.01 3h3f h LEU 266 Cb 1.37 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.23 3h3f h LEU 266 CO 0.60 0.35 -0.71 0.54 0.09 0.00 0.00 178.44 179.31 3h3f n ARG 267 N -4.02 -7.27 -2.69 1.13 1.74 -0.63 -5.01 116.66 99.91 3h3f n ARG 267 Ca -0.02 0.79 -0.31 0.00 -0.77 0.00 0.00 57.85 57.55 3h3f n ARG 267 Cb 0.40 -5.80 -0.03 0.00 -1.02 0.00 0.00 32.46 26.01 3h3f n ARG 267 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3h3f s ARG 268 N -6.18 3.80 -0.23 5.56 0.52 -1.25 -4.75 118.95 116.43 3h3f s ARG 268 Ca 0.47 0.59 -0.20 0.00 -0.52 0.00 0.00 55.73 56.07 3h3f s ARG 268 Cb -0.21 -2.31 -0.02 0.00 0.52 0.00 0.00 34.95 32.92 3h3f s ARG 268 CO 0.75 -0.13 0.61 0.08 0.02 0.00 0.00 175.30 176.63 3h3f s VAL 269 N -2.49 5.02 0.09 3.52 1.01 -1.26 -1.78 120.40 124.52 3h3f s VAL 269 Ca 0.53 1.11 0.09 0.00 0.00 0.00 0.00 61.98 63.71 3h3f s VAL 269 Cb -0.10 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 3h3f s VAL 269 CO 0.33 0.07 -0.25 -1.00 0.00 0.00 0.00 175.10 174.26 3h3f s HIS 270 N 2.21 2.12 -0.90 5.22 0.09 -0.75 -4.83 115.29 118.45 3h3f s HIS 270 Ca 0.26 -0.39 -0.22 0.00 -0.00 0.00 0.00 55.06 54.71 3h3f s HIS 270 Cb -0.16 -1.19 0.08 0.00 -0.00 0.00 0.00 32.58 31.31 3h3f s HIS 270 CO 0.09 0.23 1.26 -1.25 -0.00 0.00 0.00 174.74 175.07 3h3f s PRO 271 N -1.74 3.47 0.40 8.40 0.04 -1.26 -1.62 135.00 142.69 3h3f s PRO 271 Ca 0.11 -1.16 0.05 0.00 0.04 0.00 0.00 61.00 60.04 3h3f s PRO 271 Cb -0.10 -4.89 -0.06 0.00 0.04 0.00 0.00 34.50 29.49 3h3f s PRO 271 CO 0.04 -2.01 0.03 0.96 0.04 0.00 0.00 177.00 176.07 3h3f s ILE 272 N 4.24 1.46 -0.25 0.56 -4.36 -1.20 -1.03 121.20 120.63 3h3f s ILE 272 Ca 0.37 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.63 3h3f s ILE 272 Cb -0.05 -2.71 -0.04 0.00 1.25 0.00 0.00 42.46 40.90 3h3f s ILE 272 CO -0.03 0.00 0.26 -0.55 0.24 0.00 0.00 174.94 174.86 3h3f s SER 273 N -3.67 6.20 0.03 4.36 0.15 0.19 -2.54 113.70 118.42 3h3f s SER 273 Ca 0.29 0.21 -0.00 0.00 0.70 0.00 0.00 55.95 57.15 3h3f s SER 273 Cb 0.07 -2.16 -0.03 0.00 -1.71 0.00 0.00 66.02 62.20 3h3f s SER 273 CO 0.14 -0.04 -0.03 0.28 1.20 0.00 0.00 173.24 174.79 3h3f s THR 274 N 1.45 0.16 -0.43 6.45 -1.32 -0.79 -1.67 115.64 119.50 3h3f s THR 274 Ca 0.11 -1.15 -0.28 0.00 -1.21 0.00 0.00 61.69 59.16 3h3f s THR 274 Cb -0.15 -0.60 -0.01 0.00 -1.51 0.00 0.00 72.50 70.24 3h3f s THR 274 CO 0.08 -0.62 1.66 -0.32 -2.21 0.00 0.00 174.62 173.21 3h3f s MET 275 N -2.09 3.27 -0.25 7.08 1.75 -1.26 -1.47 119.30 126.33 3h3f s MET 275 Ca -0.10 1.04 0.10 0.00 -1.25 0.00 0.00 55.69 55.48 3h3f s MET 275 Cb -0.05 -4.18 0.45 0.00 2.84 0.00 0.00 34.83 33.89 3h3f s MET 275 CO -0.03 -1.94 1.20 1.47 -0.65 0.00 0.00 175.02 175.07 3h3f n LEU 276 N 10.23 3.83 -4.69 4.11 -0.00 -0.63 -4.98 117.00 124.88 3h3f n LEU 276 Ca 0.20 -4.27 -0.44 0.00 -0.00 0.00 0.00 56.01 51.49 3h3f n LEU 276 Cb 0.48 -0.36 -0.04 0.00 -0.00 0.00 0.00 43.42 43.51 3h3f n LEU 276 CO 0.70 1.75 1.28 1.17 -0.00 0.00 0.00 177.39 182.29 3h3f n LYS 277 N -0.81 2.40 0.00 1.47 4.81 -1.26 -1.22 118.16 123.55 3h3f n LYS 277 Ca 0.32 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.63 3h3f n LYS 277 Cb 0.87 -2.67 0.00 0.00 0.02 0.00 0.00 35.03 33.24 3h3f n LYS 277 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3h3f n GLY 278 N 3.68 3.12 3.80 3.14 0.00 -0.40 -4.99 105.19 113.53 3h3f n GLY 278 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 3h3f n GLY 278 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h3f s LEU 279 N 0.00 3.37 -1.17 0.99 2.01 -0.36 -4.59 118.68 118.92 3h3f s LEU 279 Ca 0.00 -0.72 -0.15 0.00 0.01 0.00 0.00 54.13 53.27 3h3f s LEU 279 Cb 0.00 -1.91 0.14 0.00 0.01 0.00 0.00 46.19 44.44 3h3f s LEU 279 CO 0.00 -0.41 0.38 -1.22 1.01 0.00 0.00 176.35 176.11 3h3f n TYR 280 N -1.30 -1.50 -1.30 0.29 4.02 -1.26 -0.41 117.16 115.69 3h3f n TYR 280 Ca -0.01 0.43 -0.10 0.00 -0.01 0.00 0.00 57.90 58.21 3h3f n TYR 280 Cb 0.61 -1.60 -0.04 0.00 -0.02 0.00 0.00 39.34 38.28 3h3f n TYR 280 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3h3f n GLY 281 N -0.86 1.09 3.86 2.72 0.00 -1.26 -4.86 105.19 105.88 3h3f n GLY 281 Ca 0.07 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 3h3f n GLY 281 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h3f s ILE 282 N -2.15 4.70 0.00 -0.61 -1.09 0.45 -4.96 121.20 117.54 3h3f s ILE 282 Ca 0.00 0.84 0.00 0.00 -2.23 0.00 0.00 60.65 59.26 3h3f s ILE 282 Cb 0.00 -3.69 0.00 0.00 -1.58 0.00 0.00 42.46 37.19 3h3f s ILE 282 CO 0.00 -0.43 0.00 2.29 -1.23 0.00 0.00 174.94 175.57 3h3f n LYS 283 N -1.01 0.00 -4.18 2.79 2.85 -1.26 -1.28 118.16 116.06 3h3f n LYS 283 Ca 0.03 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 57.05 3h3f n LYS 283 Cb 0.54 -0.88 -0.08 0.00 -0.65 0.00 0.00 35.03 33.96 3h3f n LYS 283 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3h3f s GLU 284 N -1.87 2.21 -0.73 -1.58 0.41 -1.26 -4.89 118.70 111.00 3h3f s GLU 284 Ca 0.00 -1.78 -0.26 0.00 -0.41 0.00 0.00 54.97 52.53 3h3f s GLU 284 Cb 0.00 -2.00 -0.05 0.00 -1.78 0.00 0.00 34.13 30.31 3h3f s GLU 284 CO 0.00 -0.02 2.00 -0.51 -0.49 0.00 0.00 175.26 176.25 3h3f s ASP 285 N -3.85 5.00 0.01 -0.19 -0.00 -1.26 -4.24 116.67 112.15 3h3f s ASP 285 Ca 0.39 -0.00 -0.09 0.00 -0.00 0.00 0.00 52.55 52.85 3h3f s ASP 285 Cb 0.02 -2.54 0.00 0.00 -0.00 0.00 0.00 42.92 40.40 3h3f s ASP 285 CO 0.22 -2.71 0.18 -0.69 -0.00 0.00 0.00 175.17 172.16 3h3f s VAL 286 N 10.33 0.09 -0.21 -1.27 1.01 -1.26 -4.91 120.40 124.17 3h3f s VAL 286 Ca 0.74 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 3h3f s VAL 286 Cb -0.11 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 3h3f s VAL 286 CO 0.12 -0.42 -0.00 -0.36 0.00 0.00 0.00 175.10 174.44 3h3f s PHE 287 N -1.85 3.02 0.06 5.22 0.08 -1.26 -1.60 117.98 121.65 3h3f s PHE 287 Ca -0.11 -0.60 0.04 0.00 0.12 0.00 0.00 56.93 56.38 3h3f s PHE 287 Cb -0.05 -2.11 -0.03 0.00 -0.57 0.00 0.00 43.02 40.26 3h3f s PHE 287 CO -0.00 -0.36 -0.11 -0.51 -0.10 0.00 0.00 175.22 174.14 3h3f s LEU 288 N 1.25 2.27 0.27 -0.37 1.43 -0.54 -4.75 118.68 118.23 3h3f s LEU 288 Ca 0.03 -0.59 -0.29 0.00 -1.03 0.00 0.00 54.13 52.25 3h3f s LEU 288 Cb -0.15 -0.35 -0.09 0.00 0.03 0.00 0.00 46.19 45.63 3h3f s LEU 288 CO 0.01 -0.14 1.12 -0.44 0.23 0.00 0.00 176.35 177.13 3h3f s SER 289 N -1.67 7.22 0.01 2.29 0.01 -0.28 -1.88 113.70 119.40 3h3f s SER 289 Ca -0.06 2.28 -0.28 0.00 1.31 0.00 0.00 55.95 59.21 3h3f s SER 289 Cb -0.10 -2.63 0.07 0.00 0.21 0.00 0.00 66.02 63.58 3h3f s SER 289 CO 0.01 -0.19 0.68 -0.69 0.41 0.00 0.00 173.24 173.46 3h3f s VAL 290 N -1.00 0.00 0.14 3.43 1.01 -1.05 -1.56 120.40 121.36 3h3f s VAL 290 Ca 0.46 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.13 3h3f s VAL 290 Cb -0.32 -1.00 -0.07 0.00 0.00 0.00 0.00 36.38 34.98 3h3f s VAL 290 CO 0.41 0.00 1.24 -2.84 0.00 0.00 0.00 175.10 173.92 3h3f s PRO 291 N -2.10 4.43 -0.04 2.72 0.02 -1.26 -3.21 135.00 135.55 3h3f s PRO 291 Ca -0.06 1.90 0.02 0.00 0.02 0.00 0.00 61.00 62.88 3h3f s PRO 291 Cb -0.00 -3.27 0.01 0.00 0.02 0.00 0.00 34.50 31.26 3h3f s PRO 291 CO 0.01 -0.22 -0.07 0.00 -0.33 0.00 0.00 177.00 176.39 3h3f s VAL 293 N 0.62 4.53 -0.25 0.00 1.01 -0.72 -1.80 120.40 123.79 3h3f s VAL 293 Ca -0.09 1.77 -0.05 0.00 0.00 0.00 0.00 61.98 63.60 3h3f s VAL 293 Cb -0.12 -4.40 -0.01 0.00 0.00 0.00 0.00 36.38 31.85 3h3f s VAL 293 CO 0.01 -0.44 0.02 -0.22 0.00 0.00 0.00 175.10 174.47 3h3f s LEU 294 N 3.60 3.33 0.00 3.92 2.96 -0.73 -2.60 118.68 129.16 3h3f s LEU 294 Ca 0.45 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.90 3h3f s LEU 294 Cb -0.13 -1.82 0.00 0.00 0.50 0.00 0.00 46.19 44.74 3h3f s LEU 294 CO 0.14 -0.08 0.00 0.61 -1.32 0.00 0.00 176.35 175.70 3h3f n GLY 295 N 4.84 5.27 0.29 7.98 0.00 -0.24 -1.60 105.19 121.73 3h3f n GLY 295 Ca -0.16 -1.25 0.19 0.00 0.00 0.00 0.00 46.02 44.80 3h3f n GLY 295 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3h3f h GLN 296 N 0.00 0.00 -0.33 1.61 3.07 -1.71 -1.79 115.11 115.96 3h3f h GLN 296 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3h3f h GLN 296 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 3h3f h GLN 296 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 178.83 179.01 3h3f n ASN 297 N -3.03 3.69 0.00 0.06 5.03 -1.26 -4.97 115.26 114.77 3h3f n ASN 297 Ca -0.01 -2.63 0.00 0.00 0.87 0.00 0.00 54.58 52.81 3h3f n ASN 297 Cb 0.22 -0.45 0.00 0.00 -1.02 0.00 0.00 39.78 38.53 3h3f n ASN 297 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3h3f n GLY 298 N -0.01 0.58 3.56 7.41 0.00 -0.67 -4.28 105.19 111.78 3h3f n GLY 298 Ca 0.19 -1.36 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 3h3f n GLY 298 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h3f s ILE 299 N 0.00 5.05 -0.36 -0.61 1.01 -0.34 -1.08 121.20 124.87 3h3f s ILE 299 Ca 0.00 0.28 0.16 0.00 0.00 0.00 0.00 60.65 61.09 3h3f s ILE 299 Cb 0.00 -3.93 -0.22 0.00 0.01 0.00 0.00 42.46 38.32 3h3f s ILE 299 CO 0.00 -0.18 0.51 -1.54 0.00 0.00 0.00 174.94 173.73 3h3f n SER 300 N 5.66 1.01 -3.69 3.58 3.41 -1.07 -4.44 113.62 118.07 3h3f n SER 300 Ca -0.06 -0.41 -0.10 0.00 -0.26 0.00 0.00 58.87 58.04 3h3f n SER 300 Cb 0.49 1.40 -0.05 0.00 -0.26 0.00 0.00 64.21 65.79 3h3f n SER 300 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3h3f s ASP 301 N -3.26 -0.15 -0.03 4.04 1.11 -1.26 -5.04 116.67 112.09 3h3f s ASP 301 Ca -0.00 -0.36 -0.03 0.00 0.18 0.00 0.00 52.55 52.34 3h3f s ASP 301 Cb 0.11 0.43 0.01 0.00 1.07 0.00 0.00 42.92 44.54 3h3f s ASP 301 CO 0.67 -0.79 0.07 -0.69 1.18 0.00 0.00 175.17 175.61 3h3f s VAL 302 N -3.63 0.01 -0.09 -1.27 1.01 -1.26 -1.75 120.40 113.42 3h3f s VAL 302 Ca 0.02 -0.07 -0.26 0.00 0.00 0.00 0.00 61.98 61.68 3h3f s VAL 302 Cb 0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.24 3h3f s VAL 302 CO -0.10 -0.04 0.81 -0.69 0.00 0.00 0.00 175.10 175.08 3h3f s VAL 303 N -0.08 4.95 -0.69 2.92 1.01 -0.25 -4.99 120.40 123.26 3h3f s VAL 303 Ca -0.01 1.65 -0.23 0.00 0.00 0.00 0.00 61.98 63.39 3h3f s VAL 303 Cb -0.01 -4.14 0.07 0.00 0.00 0.00 0.00 36.38 32.30 3h3f s VAL 303 CO 0.00 0.15 1.02 -0.54 0.00 0.00 0.00 175.10 175.72 3h3f s LYS 304 N 1.36 3.16 0.37 2.72 -0.14 -1.26 -4.45 119.74 121.51 3h3f s LYS 304 Ca 0.41 -0.85 -0.26 0.00 -1.36 0.00 0.00 55.97 53.91 3h3f s LYS 304 Cb -0.18 -4.30 -0.09 0.00 -1.68 0.00 0.00 37.83 31.58 3h3f s LYS 304 CO 0.18 -1.85 1.12 0.08 -0.76 0.00 0.00 175.35 174.12 3h3f s VAL 305 N 4.14 3.38 -0.62 3.17 1.01 -1.26 -4.98 120.40 125.24 3h3f s VAL 305 Ca 0.25 1.17 -0.26 0.00 0.00 0.00 0.00 61.98 63.14 3h3f s VAL 305 Cb -0.15 -3.67 0.04 0.00 0.00 0.00 0.00 36.38 32.60 3h3f s VAL 305 CO 0.09 0.12 1.12 -0.89 0.00 0.00 0.00 175.10 175.54 3h3f s THR 306 N -1.43 4.08 0.08 3.92 2.01 -1.26 -5.03 115.64 118.00 3h3f s THR 306 Ca 0.55 0.47 -0.04 0.00 0.31 0.00 0.00 61.69 62.98 3h3f s THR 306 Cb -0.29 -4.72 -0.05 0.00 0.01 0.00 0.00 72.50 67.46 3h3f s THR 306 CO 0.36 -1.42 0.29 -0.76 -0.69 0.00 0.00 174.62 172.40 3h3f s LEU 307 N 4.77 4.33 0.62 4.42 1.43 -1.26 -5.04 118.68 127.96 3h3f s LEU 307 Ca 0.35 0.47 -0.18 0.00 -1.03 0.00 0.00 54.13 53.74 3h3f s LEU 307 Cb -0.10 -3.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.07 3h3f s LEU 307 CO 0.20 0.15 1.14 0.41 0.23 0.00 0.00 176.35 178.47 3h3f n THR 308 N 0.43 4.33 -0.22 5.49 -1.04 -1.26 -4.79 114.28 117.22 3h3f n THR 308 Ca -0.06 -0.50 0.01 0.00 -2.04 0.00 0.00 64.05 61.47 3h3f n THR 308 Cb 0.52 -1.33 0.10 0.00 -1.82 0.00 0.00 70.33 67.79 3h3f n THR 308 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 3h3f h SER 309 N 0.54 -0.41 -0.85 8.00 0.87 -2.00 -0.36 113.55 119.34 3h3f h SER 309 Ca -0.50 0.18 0.01 0.00 -1.23 0.00 0.00 61.79 60.25 3h3f h SER 309 Cb 1.35 0.33 -0.04 0.00 -0.44 0.00 0.00 62.40 63.60 3h3f h SER 309 CO 0.52 -0.17 0.56 -0.33 -0.53 0.00 0.00 176.83 176.88 3h3f h GLU 310 N 0.07 1.10 -0.34 2.24 3.07 -1.99 -1.77 114.58 116.95 3h3f h GLU 310 Ca 0.33 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 59.09 3h3f h GLU 310 Cb 0.54 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 3h3f h GLU 310 CO -0.60 0.73 0.07 0.93 -1.40 0.00 0.00 179.01 178.73 3h3f h GLU 311 N 1.13 0.56 -0.41 2.33 5.08 -1.47 -1.81 114.58 119.99 3h3f h GLU 311 Ca 0.32 -0.15 0.05 0.00 -1.00 0.00 0.00 59.36 58.58 3h3f h GLU 311 Cb -0.11 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.03 3h3f h GLU 311 CO -0.08 0.63 0.15 0.93 -1.00 0.00 0.00 179.01 179.64 3h3f h GLU 312 N 0.40 0.30 -0.83 2.33 5.08 -1.14 -2.27 114.58 118.44 3h3f h GLU 312 Ca 0.11 -0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.60 3h3f h GLU 312 Cb 0.33 -0.07 -0.15 0.00 0.50 0.00 0.00 28.75 29.36 3h3f h GLU 312 CO 0.00 0.20 -0.28 0.00 -1.00 0.00 0.00 179.01 177.93 3h3f h ALA 313 N 1.27 0.35 -0.21 3.43 0.00 -0.65 0.71 119.26 124.15 3h3f h ALA 313 Ca 0.19 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3h3f h ALA 313 Cb 0.18 0.76 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3h3f h ALA 313 CO -0.19 -0.51 0.14 0.45 0.00 0.00 0.00 179.25 179.13 3h3f h HIS 314 N -0.03 0.26 -0.76 0.00 3.86 -0.90 -2.57 115.15 115.00 3h3f h HIS 314 Ca 0.36 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.56 3h3f h HIS 314 Cb 0.61 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.95 3h3f h HIS 314 CO -0.71 0.17 0.43 -0.07 0.86 0.00 0.00 177.93 178.61 3h3f h LEU 315 N 0.28 0.94 -0.79 2.43 4.07 -0.70 -2.03 115.31 119.50 3h3f h LEU 315 Ca 0.08 -0.07 -0.12 0.00 0.08 0.00 0.00 57.88 57.85 3h3f h LEU 315 Cb -0.03 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.46 3h3f h LEU 315 CO -0.02 0.75 -0.56 0.50 -1.08 0.00 0.00 178.44 178.03 3h3f h LYS 316 N 1.06 0.00 0.19 1.13 3.64 -0.79 -2.53 116.57 119.27 3h3f h LYS 316 Ca 0.27 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 3h3f h LYS 316 Cb 0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3h3f h LYS 316 CO -0.05 0.56 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.38 3h3f h LYS 317 N 0.00 -0.24 -0.82 1.90 3.64 -1.03 -2.84 116.57 117.17 3h3f h LYS 317 Ca -0.01 0.02 0.20 0.00 -1.27 0.00 0.00 60.65 59.60 3h3f h LYS 317 Cb 1.06 0.06 -0.14 0.00 -0.41 0.00 0.00 32.23 32.80 3h3f h LYS 317 CO 0.07 0.16 0.14 0.77 -2.27 0.00 0.00 179.45 178.32 3h3f h SER 318 N -0.85 -0.15 -0.51 4.20 0.02 -1.41 0.37 113.55 115.23 3h3f h SER 318 Ca -0.03 0.19 0.15 0.00 -0.84 0.00 0.00 61.79 61.27 3h3f h SER 318 Cb 0.52 0.30 -0.02 0.00 0.14 0.00 0.00 62.40 63.33 3h3f h SER 318 CO 0.04 -0.16 0.37 0.00 -1.14 0.00 0.00 176.83 175.94 3h3f h ALA 319 N 1.75 2.48 0.16 3.77 0.00 -1.38 0.87 119.26 126.90 3h3f h ALA 319 Ca 0.49 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 55.16 3h3f h ALA 319 Cb 0.93 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.78 3h3f h ALA 319 CO -0.66 -0.63 -1.00 -0.44 0.00 0.00 0.00 179.25 176.53 3h3f h ASP 320 N 0.00 0.53 0.48 0.00 3.32 -0.05 -2.72 116.42 117.97 3h3f h ASP 320 Ca 0.24 -0.94 -0.02 0.00 0.02 0.00 0.00 57.03 56.33 3h3f h ASP 320 Cb 0.97 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.35 3h3f h ASP 320 CO -0.00 1.47 -0.23 0.74 -1.72 0.00 0.00 179.24 179.50 3h3f h THR 321 N -0.28 0.00 -0.71 0.35 2.02 -1.14 -0.53 112.91 112.63 3h3f h THR 321 Ca -0.18 -0.03 0.16 0.00 0.77 0.00 0.00 66.41 67.13 3h3f h THR 321 Cb 1.75 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 68.02 3h3f h THR 321 CO 0.16 0.00 -0.11 0.18 0.37 0.00 0.00 175.52 176.12 3h3f n LEU 322 N -3.83 -0.20 0.03 2.58 4.32 0.28 0.16 117.00 120.35 3h3f n LEU 322 Ca -0.08 1.21 -0.10 0.00 -0.02 0.00 0.00 56.01 57.03 3h3f n LEU 322 Cb 0.26 -0.39 0.04 0.00 -1.62 0.00 0.00 43.42 41.70 3h3f n LEU 322 CO 0.19 -1.19 0.40 -0.25 -1.22 0.00 0.00 177.39 175.33 3h3f h TRP 323 N 0.00 0.62 -0.84 -1.77 2.91 -1.32 -0.54 115.95 115.01 3h3f h TRP 323 Ca 0.37 -0.25 0.01 0.00 1.13 0.00 0.00 58.89 60.15 3h3f h TRP 323 Cb 0.65 -0.10 -0.04 0.00 -0.51 0.00 0.00 29.16 29.15 3h3f h TRP 323 CO -0.48 1.00 0.55 0.78 -1.03 0.00 0.00 178.44 179.26 3h3f h GLY 324 N 1.16 1.18 0.71 2.65 0.00 0.14 0.28 103.07 109.19 3h3f h GLY 324 Ca -0.02 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 3h3f h GLY 324 CO 0.12 0.42 -0.18 -2.22 0.00 0.00 0.00 176.54 174.67 3h3f h ILE 325 N 1.12 1.37 -0.91 2.60 2.04 -1.29 -3.30 117.51 119.14 3h3f h ILE 325 Ca 0.31 -1.42 0.00 0.00 1.00 0.00 0.00 64.86 64.75 3h3f h ILE 325 Cb -0.11 2.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.95 3h3f h ILE 325 CO -0.07 0.41 0.57 1.56 0.00 0.00 0.00 178.15 180.62 3h3f h GLN 326 N -0.09 1.22 0.00 2.37 4.20 -0.85 -2.97 115.11 119.00 3h3f h GLN 326 Ca 0.01 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3h3f h GLN 326 Cb 0.75 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.26 3h3f h GLN 326 CO 0.04 0.83 0.00 0.36 -0.67 0.00 0.00 178.83 179.40 3h3f n LYS 327 N -4.41 0.11 -0.17 1.46 2.85 0.97 -1.65 118.16 117.31 3h3f n LYS 327 Ca 0.10 0.44 0.08 0.00 -1.05 0.00 0.00 58.31 57.89 3h3f n LYS 327 Cb 0.04 -1.75 0.17 0.00 -0.65 0.00 0.00 35.03 32.84 3h3f n LYS 327 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3h3f n GLU 328 N -1.97 2.29 -1.56 -1.58 1.02 -1.12 -5.01 120.64 112.71 3h3f n GLU 328 Ca 0.01 -2.03 -0.30 0.00 -0.02 0.00 0.00 57.16 54.82 3h3f n GLU 328 Cb 0.14 -1.37 0.08 0.00 -0.02 0.00 0.00 31.44 30.27 3h3f n GLU 328 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3h3f s LEU 329 N -1.14 2.69 -0.15 -4.62 1.02 -0.66 -5.03 118.68 110.79 3h3f s LEU 329 Ca 0.29 1.36 -0.02 0.00 0.02 0.00 0.00 54.13 55.78 3h3f s LEU 329 Cb 0.17 -4.02 -0.02 0.00 0.02 0.00 0.00 46.19 42.34 3h3f s LEU 329 CO 0.23 -1.88 -0.07 -1.58 0.02 0.00 0.00 176.35 173.06 3h3f s GLN 330 N -5.14 3.52 0.00 1.70 0.74 -1.26 -5.10 119.66 114.12 3h3f s GLN 330 Ca 0.60 -0.60 0.19 0.00 0.05 0.00 0.00 55.36 55.60 3h3f s GLN 330 Cb -0.14 -2.82 0.15 0.00 1.10 0.00 0.00 33.01 31.30 3h3f s GLN 330 CO 0.54 0.17 1.10 1.19 -0.55 0.00 0.00 175.29 177.74