#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 3.44 0.20 0.00 0.00 -1.26 -4.81 121.76 119.34 3h3f s ALA 2 Ca 0.00 1.13 -0.13 0.00 0.00 0.00 0.00 51.96 52.96 3h3f s ALA 2 Cb 0.00 -3.43 0.23 0.00 0.00 0.00 0.00 23.12 19.92 3h3f s ALA 2 CO 0.00 -0.49 1.64 1.25 0.00 0.00 0.00 175.76 178.17 3h3f h LEU 3 N 3.46 -0.46 -0.07 0.00 5.85 -2.03 0.90 115.31 122.97 3h3f h LEU 3 Ca -0.48 0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.44 3h3f h LEU 3 Cb 1.22 0.33 -0.06 0.00 0.37 0.00 0.00 40.66 42.52 3h3f h LEU 3 CO 0.66 -0.17 -0.47 0.50 -0.34 0.00 0.00 178.44 178.62 3h3f h LYS 4 N 0.03 -0.55 0.00 1.25 3.64 -1.96 -0.94 116.57 118.04 3h3f h LYS 4 Ca 0.29 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 3h3f h LYS 4 Cb 0.45 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3h3f h LYS 4 CO -0.57 -0.37 0.00 -0.25 -2.27 0.00 0.00 179.45 175.99 3h3f n ASP 5 N -5.45 0.53 0.11 4.20 8.00 -0.12 -0.30 116.55 123.52 3h3f n ASP 5 Ca -0.06 0.62 -0.03 0.00 0.71 0.00 0.00 54.79 56.04 3h3f n ASP 5 Cb 0.38 -0.74 0.04 0.00 -0.02 0.00 0.00 41.12 40.78 3h3f n ASP 5 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 3h3f h GLN 6 N 0.00 0.00 0.04 -1.24 4.20 0.13 -3.37 115.11 114.87 3h3f h GLN 6 Ca 0.00 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.34 3h3f h GLN 6 Cb 0.38 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.11 3h3f h GLN 6 CO 0.00 0.75 -2.27 -0.11 -0.67 0.00 0.00 178.83 176.53 3h3f n LEU 7 N -3.52 2.49 -4.75 1.46 7.94 0.05 -4.98 117.00 115.69 3h3f n LEU 7 Ca -0.00 0.02 -0.23 0.00 -1.11 0.00 0.00 56.01 54.69 3h3f n LEU 7 Cb 0.76 -0.80 -0.06 0.00 0.53 0.00 0.00 43.42 43.86 3h3f n LEU 7 CO 0.44 0.84 -0.19 -0.63 -1.11 0.00 0.00 177.39 176.74 3h3f s ILE 8 N -2.53 3.35 -0.23 1.96 1.09 0.59 -5.11 121.20 120.31 3h3f s ILE 8 Ca -0.27 -1.63 -0.04 0.00 -1.10 0.00 0.00 60.65 57.61 3h3f s ILE 8 Cb 0.08 -3.04 0.08 0.00 -1.06 0.00 0.00 42.46 38.51 3h3f s ILE 8 CO 0.69 -0.23 0.09 -2.28 -0.10 0.00 0.00 174.94 173.11 3h3f s HIS 9 N -2.35 0.62 0.15 3.97 2.46 -1.26 -4.45 115.29 114.43 3h3f s HIS 9 Ca 0.37 -0.79 -0.30 0.00 0.47 0.00 0.00 55.06 54.80 3h3f s HIS 9 Cb -0.04 -0.96 -0.07 0.00 -0.13 0.00 0.00 32.58 31.37 3h3f s HIS 9 CO 0.23 -0.68 1.17 1.21 -2.47 0.00 0.00 174.74 174.21 3h3f s ASN 10 N 1.99 7.13 -0.00 9.88 2.47 -1.26 -4.94 114.94 130.21 3h3f s ASN 10 Ca 0.04 2.14 -0.00 0.00 0.42 0.00 0.00 52.86 55.46 3h3f s ASN 10 Cb -0.16 -2.60 -0.00 0.00 -1.45 0.00 0.00 41.25 37.04 3h3f s ASN 10 CO -0.19 -0.36 -0.00 0.18 -3.72 0.00 0.00 177.10 173.01 3h3f n LEU 11 N 2.86 0.03 -4.78 3.21 4.32 -1.26 -5.02 117.00 116.35 3h3f n LEU 11 Ca 0.05 0.00 -0.34 0.00 -0.02 0.00 0.00 56.01 55.70 3h3f n LEU 11 Cb 0.45 -0.46 -0.00 0.00 -1.62 0.00 0.00 43.42 41.79 3h3f n LEU 11 CO 0.55 -0.50 0.75 -0.76 -1.22 0.00 0.00 177.39 176.21 3h3f s LEU 12 N -5.04 3.71 -0.25 2.23 1.43 -1.26 -5.02 118.68 114.47 3h3f s LEU 12 Ca -0.00 2.03 -0.15 0.00 -1.03 0.00 0.00 54.13 54.98 3h3f s LEU 12 Cb 0.00 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.62 3h3f s LEU 12 CO 0.01 -1.12 0.37 -0.75 0.23 0.00 0.00 176.35 175.08 3h3f s LYS 13 N -3.47 4.06 -0.66 1.70 2.20 -1.26 -4.99 119.74 117.32 3h3f s LYS 13 Ca 0.69 0.06 -0.04 0.00 -0.36 0.00 0.00 55.97 56.32 3h3f s LYS 13 Cb -0.20 -3.62 -0.05 0.00 -1.51 0.00 0.00 37.83 32.45 3h3f s LYS 13 CO 0.28 -0.20 1.90 -1.91 -0.36 0.00 0.00 175.35 175.05 3h3f n GLU 14 N 5.08 1.60 -2.41 4.03 4.07 -1.26 -4.93 120.64 126.82 3h3f n GLU 14 Ca -0.09 -1.18 -0.43 0.00 -0.06 0.00 0.00 57.16 55.40 3h3f n GLU 14 Cb 0.51 -2.29 0.00 0.00 -0.06 0.00 0.00 31.44 29.60 3h3f n GLU 14 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3h3f n GLU 15 N 4.18 3.24 -3.03 5.31 1.02 -1.26 -4.99 120.64 125.11 3h3f n GLU 15 Ca 0.34 -3.30 -0.44 0.00 -0.02 0.00 0.00 57.16 53.74 3h3f n GLU 15 Cb 0.14 -3.22 -0.01 0.00 -0.02 0.00 0.00 31.44 28.33 3h3f n GLU 15 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3h3f s HIS 16 N 2.55 3.45 0.13 -0.32 2.46 -1.26 -5.04 115.29 117.26 3h3f s HIS 16 Ca 0.47 -1.86 -0.24 0.00 0.47 0.00 0.00 55.06 53.90 3h3f s HIS 16 Cb 0.06 -4.18 -0.07 0.00 -0.13 0.00 0.00 32.58 28.25 3h3f s HIS 16 CO 0.00 -1.33 0.72 0.54 -2.47 0.00 0.00 174.74 172.20 3h3f s VAL 17 N 1.56 4.51 0.04 0.89 0.11 -1.26 -5.06 120.40 121.19 3h3f s VAL 17 Ca 0.34 1.57 -0.01 0.00 -2.93 0.00 0.00 61.98 60.95 3h3f s VAL 17 Cb -0.05 -4.07 -0.04 0.00 -1.53 0.00 0.00 36.38 30.68 3h3f s VAL 17 CO -0.06 0.51 0.19 -2.16 -3.33 0.00 0.00 175.10 170.25 3h3f s PRO 18 N -1.00 3.39 -0.19 1.54 0.05 -1.26 -5.03 135.00 132.50 3h3f s PRO 18 Ca 0.34 -0.42 0.04 0.00 0.05 0.00 0.00 61.00 61.01 3h3f s PRO 18 Cb -0.22 -3.03 -0.22 0.00 0.05 0.00 0.00 34.50 31.08 3h3f s PRO 18 CO 0.24 0.63 0.08 1.04 0.05 0.00 0.00 177.00 179.04 3h3f n GLN 19 N 0.51 0.68 -3.26 4.56 1.13 -1.26 -4.71 117.38 115.03 3h3f n GLN 19 Ca -0.07 0.16 -0.25 0.00 -1.94 0.00 0.00 57.00 54.90 3h3f n GLN 19 Cb 0.52 -1.60 -0.07 0.00 0.11 0.00 0.00 30.24 29.19 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 -3.18 1.28 -4.74 1.08 3.02 -1.26 -4.94 115.26 106.52 3h3f n ASN 20 Ca -0.36 -2.92 -0.36 0.00 -0.03 0.00 0.00 54.58 50.91 3h3f n ASN 20 Cb 1.05 -0.65 -0.08 0.00 -0.61 0.00 0.00 39.78 39.48 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 -1.58 3.11 0.13 3.52 2.20 -1.26 -1.45 119.74 124.41 3h3f s LYS 21 Ca 0.37 -0.33 0.07 0.00 -0.36 0.00 0.00 55.97 55.71 3h3f s LYS 21 Cb 0.16 -2.91 -0.04 0.00 -1.51 0.00 0.00 37.83 33.54 3h3f s LYS 21 CO -0.08 0.72 -0.16 0.42 -0.36 0.00 0.00 175.35 175.89 3h3f s ILE 22 N -0.92 1.49 -0.03 5.43 1.01 -0.87 -1.12 121.20 126.20 3h3f s ILE 22 Ca 0.14 -1.72 0.01 0.00 0.00 0.00 0.00 60.65 59.08 3h3f s ILE 22 Cb -0.12 -1.59 0.01 0.00 0.01 0.00 0.00 42.46 40.78 3h3f s ILE 22 CO 0.03 -0.33 -0.05 -0.89 0.00 0.00 0.00 174.94 173.69 3h3f s THR 23 N -1.93 0.52 -0.15 2.92 2.01 -0.85 -0.92 115.64 117.23 3h3f s THR 23 Ca 0.10 -0.17 0.01 0.00 0.31 0.00 0.00 61.69 61.93 3h3f s THR 23 Cb -0.06 -0.50 0.00 0.00 0.01 0.00 0.00 72.50 71.95 3h3f s THR 23 CO 0.04 0.19 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.30 3h3f s VAL 24 N 0.51 2.44 -0.27 3.82 1.01 -0.59 0.18 120.40 127.50 3h3f s VAL 24 Ca -0.07 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 60.98 3h3f s VAL 24 Cb -0.10 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 3h3f s VAL 24 CO 0.00 0.52 0.13 -0.69 0.00 0.00 0.00 175.10 175.07 3h3f s VAL 25 N 0.88 4.81 0.00 2.92 1.01 0.02 -1.43 120.40 128.60 3h3f s VAL 25 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.92 3h3f s VAL 25 Cb -0.15 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.95 3h3f s VAL 25 CO -0.02 0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.98 3h3f n GLY 26 N 4.99 0.24 2.06 4.51 0.00 0.11 0.30 105.19 117.39 3h3f n GLY 26 Ca -0.15 -0.81 -0.18 0.00 0.00 0.00 0.00 46.02 44.87 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 0.84 3.08 -0.08 1.61 0.24 -1.26 -3.70 118.33 119.06 3h3f n VAL 27 Ca 0.00 -1.96 0.00 0.00 -2.04 0.00 0.00 64.34 60.34 3h3f n VAL 27 Cb 0.00 -0.43 0.00 0.00 -1.47 0.00 0.00 33.84 31.94 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 -0.95 -3.15 0.34 7.63 0.00 -1.26 -4.51 105.19 103.28 3h3f n GLY 28 Ca 0.53 -1.28 -0.04 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.00 1.16 -0.02 4.61 0.00 -1.95 -1.11 119.26 119.95 3h3f h ALA 29 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3h3f h ALA 29 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3h3f h ALA 29 CO 0.00 0.62 -0.09 0.28 0.00 0.00 0.00 179.25 180.06 3h3f h VAL 30 N 1.07 1.51 -0.52 0.00 2.07 -1.87 -2.44 116.25 116.06 3h3f h VAL 30 Ca 0.25 -1.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 3h3f h VAL 30 Cb 0.17 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 3h3f h VAL 30 CO -0.02 0.43 0.30 1.23 0.02 0.00 0.00 177.57 179.53 3h3f h GLY 31 N -0.53 0.76 2.00 2.17 0.00 -1.63 -0.99 103.07 104.85 3h3f h GLY 31 Ca -0.01 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 3h3f h GLY 31 CO 0.02 0.32 -0.29 -0.33 0.00 0.00 0.00 176.54 176.26 3h3f h MET 32 N 0.70 0.00 -0.05 4.80 0.00 -1.29 -2.07 114.93 117.02 3h3f h MET 32 Ca 0.19 0.00 -0.17 0.00 0.00 0.00 0.00 59.70 59.71 3h3f h MET 32 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 31.60 3h3f h MET 32 CO -0.03 0.29 -0.72 0.00 0.00 0.00 0.00 176.91 176.44 3h3f h ALA 33 N 1.71 0.68 -0.53 6.32 0.00 -0.93 -2.29 119.26 124.22 3h3f h ALA 33 Ca -0.00 -0.62 -0.09 0.00 0.00 0.00 0.00 54.91 54.20 3h3f h ALA 33 Cb 0.72 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3h3f h ALA 33 CO 0.04 0.80 -0.01 0.00 0.00 0.00 0.00 179.25 180.08 3h3f h ALA 35 N 0.95 0.48 -0.42 0.00 0.00 -1.31 -0.91 119.26 118.04 3h3f h ALA 35 Ca 0.15 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 3h3f h ALA 35 Cb 0.54 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3h3f h ALA 35 CO 0.03 0.29 -0.13 0.97 0.00 0.00 0.00 179.25 180.41 3h3f h ILE 36 N 0.46 1.26 -0.24 0.00 6.09 -1.41 -1.44 117.51 122.23 3h3f h ILE 36 Ca 0.10 -1.19 -0.18 0.00 -1.37 0.00 0.00 64.86 62.21 3h3f h ILE 36 Cb 0.52 1.08 -0.00 0.00 0.47 0.00 0.00 36.82 38.88 3h3f h ILE 36 CO 0.03 0.41 -0.57 0.28 -3.07 0.00 0.00 178.15 175.22 3h3f h SER 37 N 0.69 0.83 -0.15 2.19 0.02 -1.37 -0.95 113.55 114.82 3h3f h SER 37 Ca 0.11 -0.45 -0.15 0.00 -0.84 0.00 0.00 61.79 60.46 3h3f h SER 37 Cb 0.61 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3h3f h SER 37 CO 0.04 1.22 -0.41 0.40 -1.14 0.00 0.00 176.83 176.94 3h3f h ILE 38 N 0.57 1.29 -0.06 3.27 2.04 -1.08 -2.24 117.51 121.30 3h3f h ILE 38 Ca 0.01 -1.59 -0.13 0.00 1.00 0.00 0.00 64.86 64.15 3h3f h ILE 38 Cb 1.15 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 3h3f h ILE 38 CO 0.12 0.51 -0.55 -0.07 0.00 0.00 0.00 178.15 178.16 3h3f h LEU 39 N 0.56 0.19 -0.06 1.44 3.38 -1.20 -2.82 115.31 116.81 3h3f h LEU 39 Ca 0.04 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3h3f h LEU 39 Cb 0.95 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3h3f h LEU 39 CO 0.09 0.70 -0.12 0.23 0.09 0.00 0.00 178.44 179.43 3h3f n MET 40 N -3.91 0.24 -0.14 1.13 2.81 -0.37 -3.38 117.12 113.51 3h3f n MET 40 Ca -0.02 -0.06 0.08 0.00 -1.81 0.00 0.00 57.70 55.90 3h3f n MET 40 Cb 0.57 -1.50 0.15 0.00 -0.71 0.00 0.00 33.22 31.74 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 -1.33 2.12 -4.15 0.03 5.02 -0.85 -4.99 118.16 114.02 3h3f n LYS 41 Ca 0.10 -1.94 -0.30 0.00 -2.02 0.00 0.00 58.31 54.15 3h3f n LYS 41 Cb 0.31 -1.36 -0.05 0.00 -0.02 0.00 0.00 35.03 33.91 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 0.98 -0.64 0.11 4.39 8.00 -1.15 -4.92 116.55 123.31 3h3f n ASP 42 Ca 0.14 -1.10 0.06 0.00 0.71 0.00 0.00 54.79 54.60 3h3f n ASP 42 Cb 0.47 -2.50 0.01 0.00 -0.02 0.00 0.00 41.12 39.07 3h3f n ASP 42 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3h3f h LEU 43 N -1.70 0.00 -9.22 0.64 3.38 -1.81 -3.47 115.31 103.14 3h3f h LEU 43 Ca -0.63 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 56.72 3h3f h LEU 43 Cb 1.38 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.99 3h3f h LEU 43 CO 0.70 0.30 -0.76 0.00 0.09 0.00 0.00 178.44 178.77 3h3f s ALA 44 N -3.11 2.77 -1.22 1.53 0.00 -1.26 -4.92 121.76 115.55 3h3f s ALA 44 Ca 0.01 -1.73 0.17 0.00 0.00 0.00 0.00 51.96 50.41 3h3f s ALA 44 Cb 0.08 -0.41 -0.09 0.00 0.00 0.00 0.00 23.12 22.70 3h3f s ALA 44 CO 0.77 0.34 0.81 -0.40 0.00 0.00 0.00 175.76 177.29 3h3f n ASP 45 N -0.32 1.28 -3.78 0.00 5.75 -0.53 -4.63 116.55 114.32 3h3f n ASP 45 Ca -0.08 -1.14 -0.13 0.00 -0.01 0.00 0.00 54.79 53.44 3h3f n ASP 45 Cb 0.58 0.73 -0.12 0.00 -1.03 0.00 0.00 41.12 41.27 3h3f n ASP 45 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3h3f s GLU 46 N -2.30 0.23 -0.05 0.11 2.12 -1.26 -3.65 118.70 113.91 3h3f s GLU 46 Ca 0.11 0.35 0.05 0.00 0.36 0.00 0.00 54.97 55.84 3h3f s GLU 46 Cb 0.13 0.05 -0.01 0.00 0.26 0.00 0.00 34.13 34.57 3h3f s GLU 46 CO 0.56 -0.07 -0.20 -1.17 -0.54 0.00 0.00 175.26 173.84 3h3f s LEU 47 N 0.43 1.97 0.04 2.70 2.96 0.77 -2.04 118.68 125.51 3h3f s LEU 47 Ca -0.03 -0.41 0.06 0.00 -0.22 0.00 0.00 54.13 53.54 3h3f s LEU 47 Cb -0.04 -1.11 -0.02 0.00 0.50 0.00 0.00 46.19 45.52 3h3f s LEU 47 CO -0.02 0.19 -0.18 0.00 -1.32 0.00 0.00 176.35 175.02 3h3f s ALA 48 N -0.05 1.51 -0.05 5.97 0.00 -0.10 -1.40 121.76 127.66 3h3f s ALA 48 Ca -0.03 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 51.05 3h3f s ALA 48 Cb -0.12 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 3h3f s ALA 48 CO 0.03 0.33 -0.22 -0.51 0.00 0.00 0.00 175.76 175.38 3h3f s LEU 49 N -1.07 2.28 0.06 0.00 1.43 -0.14 -1.55 118.68 119.68 3h3f s LEU 49 Ca 0.05 -0.40 0.06 0.00 -1.03 0.00 0.00 54.13 52.81 3h3f s LEU 49 Cb -0.08 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 3h3f s LEU 49 CO 0.01 0.29 -0.16 0.68 0.23 0.00 0.00 176.35 177.41 3h3f s VAL 50 N -0.44 1.27 0.18 -1.59 -7.23 -0.51 -1.68 120.40 110.40 3h3f s VAL 50 Ca 0.05 -1.18 -0.21 0.00 -1.81 0.00 0.00 61.98 58.83 3h3f s VAL 50 Cb -0.12 -1.16 0.05 0.00 0.56 0.00 0.00 36.38 35.71 3h3f s VAL 50 CO 0.01 -0.04 0.57 -0.62 -0.31 0.00 0.00 175.10 174.72 3h3f s ASP 51 N -1.41 -0.42 0.11 4.85 -1.08 -1.24 -0.72 116.67 116.76 3h3f s ASP 51 Ca 0.02 -0.22 0.00 0.00 -0.52 0.00 0.00 52.55 51.83 3h3f s ASP 51 Cb -0.09 0.60 -0.20 0.00 -1.46 0.00 0.00 42.92 41.77 3h3f s ASP 51 CO 0.02 -1.02 1.24 -0.37 0.52 0.00 0.00 175.17 175.55 3h3f h VAL 52 N 2.09 1.56 -3.10 1.11 -1.51 -1.95 -3.39 116.25 111.05 3h3f h VAL 52 Ca -0.31 -3.05 -0.56 0.00 -1.23 0.00 0.00 66.70 61.56 3h3f h VAL 52 Cb 1.28 2.80 -0.06 0.00 -2.13 0.00 0.00 31.29 33.19 3h3f h VAL 52 CO 0.37 0.88 1.09 -0.04 -1.23 0.00 0.00 177.57 178.64 3h3f s MET 53 N -2.81 3.45 0.13 5.19 -1.94 -1.26 -4.90 119.30 117.16 3h3f s MET 53 Ca -0.02 0.75 -0.12 0.00 -1.71 0.00 0.00 55.69 54.58 3h3f s MET 53 Cb 0.09 -4.07 -0.05 0.00 2.01 0.00 0.00 34.83 32.81 3h3f s MET 53 CO 0.85 -1.73 1.47 0.93 -0.01 0.00 0.00 175.02 176.54 3h3f h GLU 54 N 10.92 0.87 0.03 2.03 5.08 -2.00 -2.94 114.58 128.56 3h3f h GLU 54 Ca -0.27 -0.44 -0.00 0.00 -1.00 0.00 0.00 59.36 57.65 3h3f h GLU 54 Cb 1.10 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3h3f h GLU 54 CO 1.12 1.08 -0.01 -0.44 -1.00 0.00 0.00 179.01 179.76 3h3f h ASP 55 N 0.67 -0.03 -0.79 1.42 3.45 -1.98 -2.39 116.42 116.76 3h3f h ASP 55 Ca 0.07 -0.69 0.16 0.00 0.43 0.00 0.00 57.03 57.00 3h3f h ASP 55 Cb 0.89 0.01 -0.15 0.00 -0.56 0.00 0.00 39.33 39.52 3h3f h ASP 55 CO 0.08 0.74 -0.18 0.50 -1.57 0.00 0.00 179.24 178.81 3h3f h LYS 56 N -0.88 0.01 -0.38 3.56 3.64 -2.00 -0.23 116.57 120.30 3h3f h LYS 56 Ca -0.00 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3h3f h LYS 56 Cb 0.72 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 3h3f h LYS 56 CO 0.01 0.00 0.18 1.25 -2.27 0.00 0.00 179.45 178.62 3h3f h LEU 57 N 0.01 0.26 -0.88 5.20 5.85 -1.54 -0.23 115.31 123.98 3h3f h LEU 57 Ca 0.38 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 59.06 3h3f h LEU 57 Cb 0.60 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 3h3f h LEU 57 CO -0.80 0.19 0.12 0.50 -0.34 0.00 0.00 178.44 178.11 3h3f h LYS 58 N 0.37 0.95 -0.39 1.25 3.64 -0.97 -1.82 116.57 119.61 3h3f h LYS 58 Ca 0.16 -0.22 -0.15 0.00 -1.27 0.00 0.00 60.65 59.17 3h3f h LYS 58 Cb 0.08 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3h3f h LYS 58 CO -0.12 0.87 -0.34 0.78 -2.27 0.00 0.00 179.45 178.37 3h3f h GLY 59 N 1.02 0.98 1.00 5.01 0.00 -0.61 -1.28 103.07 109.19 3h3f h GLY 59 Ca 0.19 -0.96 -0.03 0.00 0.00 0.00 0.00 47.33 46.53 3h3f h GLY 59 CO 0.00 0.87 0.25 0.83 0.00 0.00 0.00 176.54 178.49 3h3f h GLU 60 N 0.75 0.90 0.11 4.80 4.39 -1.02 -1.12 114.58 123.38 3h3f h GLU 60 Ca 0.07 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3h3f h GLU 60 Cb 0.92 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 3h3f h GLU 60 CO 0.09 0.76 -0.09 1.98 -1.16 0.00 0.00 179.01 180.58 3h3f h MET 61 N 0.84 -0.20 -0.49 2.33 4.05 -1.18 -2.32 114.93 117.96 3h3f h MET 61 Ca 0.20 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.60 3h3f h MET 61 Cb 0.19 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.01 3h3f h MET 61 CO -0.02 -0.14 0.17 0.52 0.23 0.00 0.00 176.91 177.68 3h3f h MET 62 N -0.21 0.75 -0.72 0.39 2.86 -1.18 -0.44 114.93 116.36 3h3f h MET 62 Ca -0.00 -0.15 0.12 0.00 -2.06 0.00 0.00 59.70 57.61 3h3f h MET 62 Cb 0.20 -0.11 -0.08 0.00 0.06 0.00 0.00 31.60 31.66 3h3f h MET 62 CO -0.01 0.68 0.31 0.22 1.06 0.00 0.00 176.91 179.17 3h3f h ASP 63 N 0.65 0.34 -0.09 1.22 -0.00 -1.12 -0.69 116.42 116.73 3h3f h ASP 63 Ca 0.16 0.09 -0.04 0.00 -0.00 0.00 0.00 57.03 57.24 3h3f h ASP 63 Cb 0.23 0.05 -0.00 0.00 -0.00 0.00 0.00 39.33 39.61 3h3f h ASP 63 CO -0.01 0.16 -0.08 -0.07 -0.00 0.00 0.00 179.24 179.24 3h3f h LEU 64 N 0.49 0.23 -2.77 2.28 3.38 -1.14 -2.69 115.31 115.09 3h3f h LEU 64 Ca 0.38 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3h3f h LEU 64 Cb 0.51 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3h3f h LEU 64 CO -0.35 0.65 0.01 1.56 0.09 0.00 0.00 178.44 180.41 3h3f h GLN 65 N -0.20 0.00 0.00 1.13 4.20 -0.43 0.09 115.11 119.91 3h3f h GLN 65 Ca 0.02 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.61 3h3f h GLN 65 Cb 0.58 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 3h3f h GLN 65 CO 0.02 0.00 -0.54 0.45 -0.67 0.00 0.00 178.83 178.09 3h3f h HIS 66 N 0.00 0.00 0.00 2.96 3.86 -0.80 -1.94 115.15 119.22 3h3f h HIS 66 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3h3f h HIS 66 Cb 0.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.49 3h3f h HIS 66 CO 0.00 0.54 0.00 0.41 0.86 0.00 0.00 177.93 179.74 3h3f n GLY 67 N 0.68 -0.46 0.27 2.45 0.00 0.02 -4.43 105.19 103.71 3h3f n GLY 67 Ca 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 0.46 -0.08 1.61 0.02 -1.39 0.21 113.55 114.37 3h3f h SER 68 Ca 0.00 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3h3f h SER 68 Cb 0.00 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 3h3f h SER 68 CO 0.00 0.26 0.48 0.25 -1.14 0.00 0.00 176.83 176.68 3h3f h LEU 69 N 0.60 0.00 -2.33 5.07 5.85 -1.84 -2.46 115.31 120.20 3h3f h LEU 69 Ca 0.35 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.07 3h3f h LEU 69 Cb 0.38 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3h3f h LEU 69 CO -0.27 0.00 0.00 0.49 -0.34 0.00 0.00 178.44 178.32 3h3f n PHE 70 N -2.94 0.20 -4.56 1.25 3.01 0.06 -4.99 117.46 109.48 3h3f n PHE 70 Ca 0.00 -0.32 -0.25 0.00 1.01 0.00 0.00 57.45 57.90 3h3f n PHE 70 Cb 0.55 -0.02 -0.05 0.00 -0.01 0.00 0.00 39.48 39.94 3h3f n PHE 70 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3h3f n LEU 71 N 0.28 0.00 -1.43 4.37 4.77 -0.93 -5.08 117.00 118.99 3h3f n LEU 71 Ca 0.07 -2.54 0.03 0.00 -0.03 0.00 0.00 56.01 53.54 3h3f n LEU 71 Cb 0.31 0.40 0.01 0.00 -2.33 0.00 0.00 43.42 41.80 3h3f n LEU 71 CO 0.05 -0.37 0.09 0.54 -1.33 0.00 0.00 177.39 176.38 3h3f n ARG 72 N -0.95 0.00 -3.58 3.23 5.12 -1.26 -4.97 116.66 114.25 3h3f n ARG 72 Ca -0.14 -1.88 -0.41 0.00 -1.93 0.00 0.00 57.85 53.49 3h3f n ARG 72 Cb 0.51 0.04 -0.10 0.00 -1.16 0.00 0.00 32.46 31.75 3h3f n ARG 72 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3h3f s THR 73 N 0.00 4.45 -1.57 0.55 2.01 -1.26 -4.93 115.64 114.89 3h3f s THR 73 Ca 0.30 -1.20 0.22 0.00 0.31 0.00 0.00 61.69 61.32 3h3f s THR 73 Cb 0.34 -3.64 0.45 0.00 0.01 0.00 0.00 72.50 69.66 3h3f s THR 73 CO -0.15 -0.43 1.70 -0.81 -0.69 0.00 0.00 174.62 174.24 3h3f n PRO 74 N 4.98 0.41 -3.59 4.92 -0.04 -1.25 -4.70 135.00 135.73 3h3f n PRO 74 Ca -0.11 0.06 -0.10 0.00 -0.04 0.00 0.00 63.50 63.32 3h3f n PRO 74 Cb 0.44 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.30 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 -2.43 0.29 -0.11 0.54 2.20 -1.24 -5.06 119.74 113.94 3h3f s LYS 75 Ca 0.24 0.87 0.03 0.00 -0.36 0.00 0.00 55.97 56.75 3h3f s LYS 75 Cb 0.15 0.08 0.01 0.00 -1.51 0.00 0.00 37.83 36.55 3h3f s LYS 75 CO 0.31 -0.34 -0.21 0.42 -0.36 0.00 0.00 175.35 175.17 3h3f s ILE 76 N 2.56 1.86 0.17 5.43 1.01 -1.26 -0.16 121.20 130.81 3h3f s ILE 76 Ca 0.02 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.80 3h3f s ILE 76 Cb -0.13 -1.64 -0.05 0.00 0.01 0.00 0.00 42.46 40.65 3h3f s ILE 76 CO -0.13 0.51 -0.01 0.68 0.00 0.00 0.00 174.94 176.00 3h3f s VAL 77 N 0.63 0.71 0.15 2.92 -7.23 -0.49 -4.98 120.40 112.10 3h3f s VAL 77 Ca -0.13 -1.98 -0.24 0.00 -1.81 0.00 0.00 61.98 57.82 3h3f s VAL 77 Cb -0.16 -2.09 0.07 0.00 0.56 0.00 0.00 36.38 34.76 3h3f s VAL 77 CO 0.03 -0.50 0.66 -0.94 -0.31 0.00 0.00 175.10 174.04 3h3f s SER 78 N -3.17 -0.50 0.00 4.85 1.04 -1.26 -0.97 113.70 113.69 3h3f s SER 78 Ca 0.23 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.59 3h3f s SER 78 Cb 0.06 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.76 3h3f s SER 78 CO 0.03 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.91 3h3f n GLY 79 N -0.37 0.68 0.10 7.32 0.00 -0.68 -4.95 105.19 107.30 3h3f n GLY 79 Ca -0.14 -0.88 -0.01 0.00 0.00 0.00 0.00 46.02 44.99 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 -6.59 1.61 2.10 -1.87 -3.31 116.57 108.51 3h3f h LYS 80 Ca 0.00 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.13 3h3f h LYS 80 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 3h3f h LYS 80 CO 0.00 0.39 0.41 0.34 -2.00 0.00 0.00 179.45 178.59 3h3f s ASP 81 N -6.00 7.40 0.00 7.07 3.68 -1.26 -4.89 116.67 122.67 3h3f s ASP 81 Ca -0.01 1.91 0.02 0.00 2.13 0.00 0.00 52.55 56.59 3h3f s ASP 81 Cb 0.08 -2.59 0.10 0.00 -1.45 0.00 0.00 42.92 39.06 3h3f s ASP 81 CO 0.80 -0.14 1.06 -1.22 0.13 0.00 0.00 175.17 175.80 3h3f n TYR 82 N 2.70 0.01 0.95 -5.34 4.02 -1.26 -3.17 117.16 115.07 3h3f n TYR 82 Ca 0.03 -0.01 0.14 0.00 -0.01 0.00 0.00 57.90 58.05 3h3f n TYR 82 Cb 0.48 0.00 0.59 0.00 -0.02 0.00 0.00 39.34 40.39 3h3f n TYR 82 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3h3f n SER 83 N -0.50 0.10 0.00 7.72 3.41 -1.26 -1.74 113.62 121.35 3h3f n SER 83 Ca 0.01 0.51 0.10 0.00 -0.26 0.00 0.00 58.87 59.23 3h3f n SER 83 Cb 0.01 -0.54 0.46 0.00 -0.26 0.00 0.00 64.21 63.89 3h3f n SER 83 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3h3f n VAL 84 N -1.59 0.53 0.88 -3.33 0.24 -1.19 -3.18 118.33 110.69 3h3f n VAL 84 Ca 0.07 0.13 0.10 0.00 -2.04 0.00 0.00 64.34 62.60 3h3f n VAL 84 Cb 0.35 -0.78 0.04 0.00 -1.47 0.00 0.00 33.84 31.98 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 -1.45 0.00 -1.54 3.34 -1.04 -0.71 -4.86 114.28 108.02 3h3f n THR 85 Ca 0.06 -0.39 -0.34 0.00 -2.04 0.00 0.00 64.05 61.34 3h3f n THR 85 Cb 0.23 1.33 0.08 0.00 -1.82 0.00 0.00 70.33 70.15 3h3f n THR 85 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3h3f s ALA 86 N -2.00 2.23 -1.47 2.41 0.00 -1.19 -3.32 121.76 118.41 3h3f s ALA 86 Ca 0.20 0.77 -0.11 0.00 0.00 0.00 0.00 51.96 52.82 3h3f s ALA 86 Cb 0.17 -3.42 0.06 0.00 0.00 0.00 0.00 23.12 19.93 3h3f s ALA 86 CO 0.39 -1.68 0.83 0.09 0.00 0.00 0.00 175.76 175.39 3h3f n ASN 87 N -2.62 -4.96 -4.79 0.00 3.02 -0.83 -4.95 115.26 100.13 3h3f n ASN 87 Ca 0.12 -0.59 -0.37 0.00 -0.03 0.00 0.00 54.58 53.72 3h3f n ASN 87 Cb 0.51 -3.99 -0.06 0.00 -0.61 0.00 0.00 39.78 35.63 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 -3.07 7.26 0.00 6.41 0.01 -1.21 -4.58 113.70 118.51 3h3f s SER 88 Ca 0.54 1.72 0.08 0.00 1.31 0.00 0.00 55.95 59.61 3h3f s SER 88 Cb -0.27 -2.54 -0.23 0.00 0.21 0.00 0.00 66.02 63.19 3h3f s SER 88 CO 0.67 -0.04 0.83 0.11 0.41 0.00 0.00 173.24 175.22 3h3f h LYS 89 N 3.22 0.04 -4.42 12.44 1.79 -1.49 -3.40 116.57 124.76 3h3f h LYS 89 Ca -0.47 -0.07 -0.42 0.00 -2.18 0.00 0.00 60.65 57.51 3h3f h LYS 89 Cb 1.19 0.03 -0.32 0.00 -1.58 0.00 0.00 32.23 31.55 3h3f h LYS 89 CO 0.65 0.73 -0.78 -1.17 -1.08 0.00 0.00 179.45 177.80 3h3f s LEU 90 N -6.40 1.68 -0.20 2.94 2.96 -1.13 -1.73 118.68 116.80 3h3f s LEU 90 Ca -0.05 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 3h3f s LEU 90 Cb 0.08 -0.52 0.03 0.00 0.50 0.00 0.00 46.19 46.29 3h3f s LEU 90 CO 0.82 0.03 -0.16 -0.69 -1.32 0.00 0.00 176.35 175.04 3h3f s VAL 91 N 0.37 1.97 -0.33 1.68 1.01 -0.52 -2.01 120.40 122.58 3h3f s VAL 91 Ca -0.06 -1.08 -0.12 0.00 0.00 0.00 0.00 61.98 60.72 3h3f s VAL 91 Cb -0.10 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 3h3f s VAL 91 CO 0.01 0.34 0.22 -0.63 0.00 0.00 0.00 175.10 175.04 3h3f s ILE 92 N 1.28 5.25 -0.30 2.22 1.01 0.13 -0.96 121.20 129.83 3h3f s ILE 92 Ca 0.01 -0.14 -0.11 0.00 0.00 0.00 0.00 60.65 60.41 3h3f s ILE 92 Cb -0.15 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 3h3f s ILE 92 CO -0.10 0.05 0.18 -0.63 0.00 0.00 0.00 174.94 174.44 3h3f s ILE 93 N 1.72 4.99 -0.06 2.92 -1.09 -0.07 -0.80 121.20 128.82 3h3f s ILE 93 Ca 0.06 -0.12 0.01 0.00 -2.23 0.00 0.00 60.65 58.37 3h3f s ILE 93 Cb -0.17 -3.46 -0.01 0.00 -1.58 0.00 0.00 42.46 37.24 3h3f s ILE 93 CO 0.10 0.15 0.12 0.35 -1.23 0.00 0.00 174.94 174.43 3h3f n THR 94 N 5.03 0.00 -1.67 2.92 -2.24 0.15 -0.80 114.28 117.67 3h3f n THR 94 Ca -0.14 -0.48 -0.44 0.00 -2.27 0.00 0.00 64.05 60.72 3h3f n THR 94 Cb 0.51 1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.72 3h3f n THR 94 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h3f n ALA 95 N -0.85 1.04 -3.86 6.98 0.00 -0.53 -4.66 120.51 118.63 3h3f n ALA 95 Ca 0.00 0.40 -0.00 0.00 0.00 0.00 0.00 53.44 53.84 3h3f n ALA 95 Cb 0.02 -2.25 0.01 0.00 0.00 0.00 0.00 19.45 17.23 3h3f n ALA 95 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3h3f s GLY 96 N 0.08 -0.09 -0.26 0.00 0.00 -1.26 -4.79 107.32 101.01 3h3f s GLY 96 Ca 0.64 0.00 -0.27 0.00 0.00 0.00 0.00 44.72 45.09 3h3f s GLY 96 CO 0.54 2.83 1.20 0.00 0.00 0.00 0.00 173.10 177.67 3h3f s ALA 97 N -2.27 -2.06 0.20 3.20 0.00 -1.26 -5.13 121.76 114.44 3h3f s ALA 97 Ca 0.22 1.75 -0.21 0.00 0.00 0.00 0.00 51.96 53.73 3h3f s ALA 97 Cb -0.01 -1.36 -0.08 0.00 0.00 0.00 0.00 23.12 21.67 3h3f s ALA 97 CO 0.02 -0.22 0.73 1.03 0.00 0.00 0.00 175.76 177.32 3h3f s ARG 98 N -0.44 4.31 -0.04 0.00 1.81 -1.26 -4.51 118.95 118.83 3h3f s ARG 98 Ca 0.04 0.92 -0.23 0.00 -1.72 0.00 0.00 55.73 54.74 3h3f s ARG 98 Cb -0.03 -2.97 -0.17 0.00 -0.45 0.00 0.00 34.95 31.33 3h3f s ARG 98 CO -0.07 0.44 1.03 0.37 -0.68 0.00 0.00 175.30 176.39 3h3f h GLN 99 N 3.65 -0.18 0.00 3.54 5.75 -1.88 -3.50 115.11 122.48 3h3f h GLN 99 Ca -0.48 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 3h3f h GLN 99 Cb 1.20 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.79 3h3f h GLN 99 CO 0.65 0.27 0.00 0.94 -2.65 0.00 0.00 178.83 178.04 3h3f n GLN 100 N -4.93 0.00 0.00 1.69 7.27 -1.26 -5.11 117.38 115.04 3h3f n GLN 100 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.99 3h3f n GLN 100 Cb 0.27 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.92 3h3f n GLN 100 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 3h3f n GLU 101 N 0.00 0.42 -2.58 3.69 2.13 -1.26 -4.85 120.64 118.19 3h3f n GLU 101 Ca 0.00 -0.28 -0.13 0.00 0.66 0.00 0.00 57.16 57.41 3h3f n GLU 101 Cb 0.00 -0.75 0.03 0.00 0.27 0.00 0.00 31.44 30.99 3h3f n GLU 101 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h3f n GLY 102 N 0.14 3.25 3.51 8.31 0.00 -1.26 -5.11 105.19 114.03 3h3f n GLY 102 Ca 0.00 -1.75 -0.24 0.00 0.00 0.00 0.00 46.02 44.03 3h3f n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h3f s GLU 103 N -3.46 1.82 0.77 1.61 2.02 -1.26 -5.16 118.70 115.03 3h3f s GLU 103 Ca 0.35 -2.07 -0.04 0.00 0.02 0.00 0.00 54.97 53.23 3h3f s GLU 103 Cb 0.40 -0.84 0.14 0.00 0.10 0.00 0.00 34.13 33.93 3h3f s GLU 103 CO -0.03 -0.32 1.06 -1.54 0.02 0.00 0.00 175.26 174.46 3h3f s SER 104 N -3.57 4.13 -0.13 -0.19 1.04 -1.26 -5.01 113.70 108.70 3h3f s SER 104 Ca 0.29 -0.16 0.16 0.00 0.48 0.00 0.00 55.95 56.71 3h3f s SER 104 Cb 0.06 -0.17 0.68 0.00 0.10 0.00 0.00 66.02 66.68 3h3f s SER 104 CO 0.14 -2.02 1.57 0.54 0.98 0.00 0.00 173.24 174.45 3h3f n ARG 105 N -3.03 3.73 0.00 4.02 3.00 -1.26 -2.06 116.66 121.06 3h3f n ARG 105 Ca 0.14 -2.66 0.13 0.00 -0.01 0.00 0.00 57.85 55.46 3h3f n ARG 105 Cb 0.60 -1.92 0.44 0.00 0.00 0.00 0.00 32.46 31.58 3h3f n ARG 105 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3h3f n LEU 106 N 0.92 0.43 0.00 0.55 -0.00 -1.26 -3.35 117.00 114.28 3h3f n LEU 106 Ca 0.24 0.10 0.00 0.00 -0.00 0.00 0.00 56.01 56.34 3h3f n LEU 106 Cb 0.89 -0.28 0.00 0.00 -0.00 0.00 0.00 43.42 44.03 3h3f n LEU 106 CO 0.24 0.09 0.34 -3.20 -0.00 0.00 0.00 177.39 174.86 3h3f n ASN 107 N -1.27 1.18 -0.02 1.96 2.85 -1.12 -4.14 115.26 114.70 3h3f n ASN 107 Ca 0.09 -1.46 -0.02 0.00 -0.11 0.00 0.00 54.58 53.08 3h3f n ASN 107 Cb 0.32 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.32 3h3f n ASN 107 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 3h3f n LEU 108 N -0.23 0.76 0.21 1.20 7.94 -0.87 -4.28 117.00 121.73 3h3f n LEU 108 Ca 0.00 -0.01 0.08 0.00 -1.11 0.00 0.00 56.01 54.98 3h3f n LEU 108 Cb 0.23 0.02 0.43 0.00 0.53 0.00 0.00 43.42 44.63 3h3f n LEU 108 CO 0.00 0.20 0.76 0.58 -1.11 0.00 0.00 177.39 177.82 3h3f h VAL 109 N 0.00 0.70 -0.36 1.96 2.07 -1.82 -3.03 116.25 115.78 3h3f h VAL 109 Ca -0.08 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.19 3h3f h VAL 109 Cb 1.17 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 32.72 3h3f h VAL 109 CO -0.00 0.27 0.17 -0.61 0.02 0.00 0.00 177.57 177.43 3h3f h GLN 110 N 0.00 0.51 -0.41 1.57 5.75 -1.78 0.52 115.11 121.26 3h3f h GLN 110 Ca -0.00 -0.07 0.08 0.00 -0.15 0.00 0.00 58.65 58.51 3h3f h GLN 110 Cb 0.77 -0.09 -0.08 0.00 1.07 0.00 0.00 27.48 29.15 3h3f h GLN 110 CO 0.04 0.46 -0.14 0.00 -2.65 0.00 0.00 178.83 176.53 3h3f h ARG 111 N 0.44 -0.04 0.00 1.69 2.47 -1.71 -1.63 114.38 115.59 3h3f h ARG 111 Ca 0.12 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.66 3h3f h ARG 111 Cb 0.11 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.42 3h3f h ARG 111 CO -0.02 -0.03 -0.89 -0.91 0.56 0.00 0.00 179.97 178.69 3h3f h ASN 112 N -0.05 0.00 -0.28 7.04 2.35 -1.47 -1.30 115.58 121.87 3h3f h ASN 112 Ca 0.20 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 56.02 3h3f h ASN 112 Cb 0.35 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.65 3h3f h ASN 112 CO -0.45 0.89 -0.23 0.58 -1.65 0.00 0.00 177.43 176.56 3h3f h VAL 113 N 0.00 0.39 -0.32 2.81 2.07 0.17 0.61 116.25 121.98 3h3f h VAL 113 Ca -0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.58 3h3f h VAL 113 Cb 1.57 0.39 -0.07 0.00 -1.52 0.00 0.00 31.29 31.67 3h3f h VAL 113 CO 0.12 0.00 -0.11 0.78 0.02 0.00 0.00 177.57 178.37 3h3f h ASN 114 N -0.22 -0.40 -0.68 0.57 2.35 -1.08 0.14 115.58 116.26 3h3f h ASN 114 Ca 0.15 0.11 0.09 0.00 -0.55 0.00 0.00 56.30 56.10 3h3f h ASN 114 Cb 0.45 0.24 -0.07 0.00 0.05 0.00 0.00 38.32 38.99 3h3f h ASN 114 CO -0.41 -0.14 0.32 0.40 -1.65 0.00 0.00 177.43 175.95 3h3f h ILE 115 N -0.05 0.84 0.00 2.81 2.04 -0.90 -2.70 117.51 119.55 3h3f h ILE 115 Ca 0.16 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3h3f h ILE 115 Cb 0.29 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3h3f h ILE 115 CO -0.36 0.10 -0.05 -0.26 0.00 0.00 0.00 178.15 177.58 3h3f h PHE 116 N 0.56 0.00 0.00 1.37 -1.00 0.22 -2.37 116.94 115.71 3h3f h PHE 116 Ca 0.33 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.11 3h3f h PHE 116 Cb 0.35 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.91 3h3f h PHE 116 CO -0.12 0.05 0.00 0.87 -1.61 0.00 0.00 178.31 177.50 3h3f h LYS 117 N 0.00 0.00 0.02 1.51 1.57 -0.48 -0.56 116.57 118.63 3h3f h LYS 117 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 3h3f h LYS 117 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3h3f h LYS 117 CO 0.01 0.00 -0.28 0.35 -0.57 0.00 0.00 179.45 178.96 3h3f h PHE 118 N 0.00 0.10 -0.15 -1.35 3.57 -1.47 -3.42 116.94 114.22 3h3f h PHE 118 Ca 0.00 -0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.37 3h3f h PHE 118 Cb 0.83 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.57 3h3f h PHE 118 CO 0.00 1.11 -0.14 0.82 -2.23 0.00 0.00 178.31 177.87 3h3f h ILE 119 N -0.88 1.34 -0.09 1.41 2.04 -1.18 -3.05 117.51 117.10 3h3f h ILE 119 Ca -0.06 -1.30 -0.14 0.00 1.00 0.00 0.00 64.86 64.37 3h3f h ILE 119 Cb 1.15 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 39.08 3h3f h ILE 119 CO 0.01 0.38 -0.54 0.40 0.00 0.00 0.00 178.15 178.39 3h3f h ILE 120 N -0.01 1.36 -0.39 -0.67 1.08 -1.35 0.48 117.51 118.01 3h3f h ILE 120 Ca 0.02 -1.84 -0.09 0.00 -0.39 0.00 0.00 64.86 62.57 3h3f h ILE 120 Cb 0.67 1.89 -0.01 0.00 -3.07 0.00 0.00 36.82 36.30 3h3f h ILE 120 CO 0.04 0.55 -0.09 -0.65 -0.69 0.00 0.00 178.15 177.30 3h3f h PRO 121 N 0.21 0.74 -0.71 2.37 0.11 -1.79 -2.78 132.00 130.15 3h3f h PRO 121 Ca 0.00 -0.28 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 3h3f h PRO 121 Cb 1.02 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 3h3f h PRO 121 CO 0.09 0.88 0.41 -0.91 -0.21 0.00 0.00 178.00 178.26 3h3f h ASN 122 N 0.55 0.86 -0.25 -2.05 2.35 -1.24 -2.37 115.58 113.43 3h3f h ASN 122 Ca 0.10 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.73 3h3f h ASN 122 Cb 0.61 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 3h3f h ASN 122 CO 0.04 0.68 -0.04 -0.37 -1.65 0.00 0.00 177.43 176.09 3h3f h VAL 123 N 0.97 1.27 0.00 2.81 -1.51 -0.95 -3.19 116.25 115.65 3h3f h VAL 123 Ca 0.25 -1.01 0.00 0.00 -1.23 0.00 0.00 66.70 64.72 3h3f h VAL 123 Cb -0.01 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 30.58 3h3f h VAL 123 CO -0.05 0.31 0.00 -0.37 -1.23 0.00 0.00 177.57 176.24 3h3f h VAL 124 N 0.22 0.00 -0.70 7.19 -1.51 -1.42 -2.15 116.25 117.86 3h3f h VAL 124 Ca 0.07 -0.53 0.03 0.00 -1.23 0.00 0.00 66.70 65.03 3h3f h VAL 124 Cb 0.48 1.46 -0.04 0.00 -2.13 0.00 0.00 31.29 31.06 3h3f h VAL 124 CO 0.02 0.00 0.45 0.50 -1.23 0.00 0.00 177.57 177.31 3h3f h LYS 125 N 0.00 0.86 0.00 5.19 3.64 -1.41 -2.99 116.57 121.86 3h3f h LYS 125 Ca 0.00 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 3h3f h LYS 125 Cb 0.66 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3h3f h LYS 125 CO 0.00 0.57 -1.85 0.66 -2.27 0.00 0.00 179.45 176.56 3h3f n TYR 126 N -4.65 0.25 -3.32 1.91 4.02 -0.89 -4.57 117.16 109.90 3h3f n TYR 126 Ca 0.07 0.08 -0.25 0.00 -0.01 0.00 0.00 57.90 57.78 3h3f n TYR 126 Cb 0.07 -0.71 -0.08 0.00 -0.02 0.00 0.00 39.34 38.60 3h3f n TYR 126 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3h3f n SER 127 N -2.46 1.38 0.26 7.72 7.64 -0.86 -1.96 113.62 125.33 3h3f n SER 127 Ca -0.08 -2.92 0.11 0.00 1.01 0.00 0.00 58.87 56.98 3h3f n SER 127 Cb 0.68 -0.65 0.70 0.00 -1.01 0.00 0.00 64.21 63.94 3h3f n SER 127 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3h3f h PRO 128 N 4.30 0.00 -0.63 1.43 0.11 -1.77 -2.95 132.00 132.50 3h3f h PRO 128 Ca 0.14 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.14 3h3f h PRO 128 Cb 0.81 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.86 3h3f h PRO 128 CO 0.58 0.10 0.13 0.72 -0.21 0.00 0.00 178.00 179.32 3h3f n HIS 129 N -3.99 2.19 -2.30 0.65 8.25 -1.26 -5.03 115.22 113.74 3h3f n HIS 129 Ca -0.02 -0.97 -0.25 0.00 -0.26 0.00 0.00 57.72 56.21 3h3f n HIS 129 Cb 0.19 -0.59 0.08 0.00 1.12 0.00 0.00 29.99 30.79 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 -5.21 3.68 -0.21 0.00 3.01 -0.70 -4.93 119.74 115.38 3h3f s LYS 131 Ca 0.62 0.14 -0.06 0.00 -1.01 0.00 0.00 55.97 55.66 3h3f s LYS 131 Cb -0.09 -3.20 -0.03 0.00 -1.01 0.00 0.00 37.83 33.50 3h3f s LYS 131 CO 0.44 0.73 0.03 -0.51 0.51 0.00 0.00 175.35 176.56 3h3f s LEU 132 N -1.08 3.44 -0.23 3.17 1.43 0.18 -1.43 118.68 124.16 3h3f s LEU 132 Ca 0.20 -0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 53.14 3h3f s LEU 132 Cb -0.14 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.20 3h3f s LEU 132 CO 0.09 0.06 -0.08 -0.22 0.23 0.00 0.00 176.35 176.44 3h3f s LEU 133 N 1.02 2.88 -0.26 1.79 0.20 -0.13 -0.30 118.68 123.88 3h3f s LEU 133 Ca 0.03 -0.64 -0.09 0.00 0.69 0.00 0.00 54.13 54.11 3h3f s LEU 133 Cb -0.14 -1.66 -0.04 0.00 -0.43 0.00 0.00 46.19 43.92 3h3f s LEU 133 CO 0.02 -0.06 0.14 -0.69 -0.29 0.00 0.00 176.35 175.47 3h3f s VAL 134 N 1.38 4.93 -0.05 1.68 1.01 -0.70 -0.89 120.40 127.76 3h3f s VAL 134 Ca 0.03 0.04 0.20 0.00 0.00 0.00 0.00 61.98 62.25 3h3f s VAL 134 Cb -0.15 -3.32 -0.30 0.00 0.00 0.00 0.00 36.38 32.61 3h3f s VAL 134 CO -0.06 0.31 0.39 0.52 0.00 0.00 0.00 175.10 176.26 3h3f n VAL 135 N 4.83 0.19 -1.79 2.92 0.31 0.02 -2.44 118.33 122.36 3h3f n VAL 135 Ca -0.15 -0.51 -0.39 0.00 -0.01 0.00 0.00 64.34 63.28 3h3f n VAL 135 Cb 0.52 -0.04 0.03 0.00 -0.91 0.00 0.00 33.84 33.44 3h3f n VAL 135 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3h3f s SER 136 N -4.45 5.65 -0.01 4.52 0.01 -1.20 -4.77 113.70 113.45 3h3f s SER 136 Ca -0.08 2.87 -0.11 0.00 1.31 0.00 0.00 55.95 59.95 3h3f s SER 136 Cb 0.12 -2.65 -0.05 0.00 0.21 0.00 0.00 66.02 63.65 3h3f s SER 136 CO 0.82 -1.32 0.33 0.20 0.41 0.00 0.00 173.24 173.68 3h3f s ASN 137 N -0.66 6.64 0.15 2.44 0.01 -1.26 -2.30 114.94 119.97 3h3f s ASN 137 Ca 0.65 0.77 -0.31 0.00 -0.71 0.00 0.00 52.86 53.25 3h3f s ASN 137 Cb -0.43 -2.17 -0.10 0.00 0.41 0.00 0.00 41.25 38.96 3h3f s ASN 137 CO 0.53 0.31 1.66 -2.84 -1.51 0.00 0.00 177.10 175.25 3h3f s PRO 138 N -1.31 4.18 0.18 -0.60 0.02 -1.26 -4.95 135.00 131.27 3h3f s PRO 138 Ca 0.24 2.45 -0.10 0.00 0.02 0.00 0.00 61.00 63.62 3h3f s PRO 138 Cb -0.15 -3.28 0.08 0.00 0.02 0.00 0.00 34.50 31.18 3h3f s PRO 138 CO 0.12 -0.70 1.67 -0.24 -0.33 0.00 0.00 177.00 177.53 3h3f h VAL 139 N 4.20 1.26 0.00 3.83 3.04 -1.76 -1.98 116.25 124.85 3h3f h VAL 139 Ca -0.43 -1.03 -0.19 0.00 -1.01 0.00 0.00 66.70 64.04 3h3f h VAL 139 Cb 1.20 0.69 0.02 0.00 -2.01 0.00 0.00 31.29 31.19 3h3f h VAL 139 CO 0.93 0.38 -0.74 0.44 -1.01 0.00 0.00 177.57 177.57 3h3f h ASP 140 N 0.97 0.65 -0.33 3.17 3.32 -1.86 0.26 116.42 122.59 3h3f h ASP 140 Ca 0.19 -0.76 -0.06 0.00 0.02 0.00 0.00 57.03 56.43 3h3f h ASP 140 Cb 0.44 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3h3f h ASP 140 CO 0.01 1.32 -0.01 0.40 -1.72 0.00 0.00 179.24 179.25 3h3f h ILE 141 N 0.04 1.26 0.00 0.35 2.04 -1.88 -1.50 117.51 117.82 3h3f h ILE 141 Ca -0.09 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 64.79 3h3f h ILE 141 Cb 1.44 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 3h3f h ILE 141 CO 0.15 0.32 0.00 0.18 0.00 0.00 0.00 178.15 178.80 3h3f n LEU 142 N -4.52 0.56 -0.02 1.44 4.77 -0.75 -1.59 117.00 116.89 3h3f n LEU 142 Ca -0.02 0.59 -0.16 0.00 -0.03 0.00 0.00 56.01 56.39 3h3f n LEU 142 Cb 0.27 -0.46 -0.10 0.00 -2.33 0.00 0.00 43.42 40.81 3h3f n LEU 142 CO 0.40 -0.30 0.39 0.74 -1.33 0.00 0.00 177.39 177.28 3h3f h THR 143 N 0.00 1.44 -0.76 -5.08 2.02 -0.14 -1.86 112.91 108.53 3h3f h THR 143 Ca 0.00 -1.84 0.13 0.00 0.77 0.00 0.00 66.41 65.47 3h3f h THR 143 Cb 0.51 2.43 -0.09 0.00 -1.74 0.00 0.00 68.15 69.27 3h3f h THR 143 CO 0.00 0.53 0.34 0.22 0.37 0.00 0.00 175.52 176.98 3h3f h TYR 144 N -0.17 0.60 -0.13 3.16 3.20 -1.01 -2.35 116.97 120.28 3h3f h TYR 144 Ca -0.03 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 3h3f h TYR 144 Cb 1.06 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 3h3f h TYR 144 CO 0.14 0.14 0.07 0.28 -1.64 0.00 0.00 178.16 177.15 3h3f h VAL 145 N 0.53 1.09 -0.52 1.81 2.07 -1.27 -2.43 116.25 117.52 3h3f h VAL 145 Ca 0.40 -0.23 0.15 0.00 0.82 0.00 0.00 66.70 67.84 3h3f h VAL 145 Cb 0.54 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3h3f h VAL 145 CO -0.35 0.08 0.41 0.00 0.02 0.00 0.00 177.57 177.73 3h3f h ALA 146 N 0.98 2.41 0.00 1.67 0.00 -0.81 -1.07 119.26 122.43 3h3f h ALA 146 Ca 0.05 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3h3f h ALA 146 Cb 0.06 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3h3f h ALA 146 CO -0.01 -0.68 -1.38 1.87 0.00 0.00 0.00 179.25 179.05 3h3f n TRP 147 N -4.17 0.99 0.02 0.00 -0.00 -1.02 -1.66 117.44 111.60 3h3f n TRP 147 Ca 0.10 0.33 -0.12 0.00 -0.00 0.00 0.00 57.50 57.80 3h3f n TRP 147 Cb 0.63 -1.08 -0.09 0.00 -0.00 0.00 0.00 31.31 30.77 3h3f n TRP 147 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 177.69 178.56 3h3f h LYS 148 N 0.00 -0.12 -0.26 5.87 1.79 -0.74 -2.84 116.57 120.28 3h3f h LYS 148 Ca -0.15 0.01 -0.13 0.00 -2.18 0.00 0.00 60.65 58.20 3h3f h LYS 148 Cb 1.54 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 32.20 3h3f h LYS 148 CO 0.04 0.39 -0.39 0.82 -1.08 0.00 0.00 179.45 179.24 3h3f h ILE 149 N -0.77 1.29 -0.16 1.86 2.04 -1.45 -3.27 117.51 117.05 3h3f h ILE 149 Ca -0.01 -1.54 -0.07 0.00 1.00 0.00 0.00 64.86 64.23 3h3f h ILE 149 Cb 0.57 1.52 -0.00 0.00 -0.74 0.00 0.00 36.82 38.17 3h3f h ILE 149 CO 0.02 0.49 -0.18 0.77 0.00 0.00 0.00 178.15 179.26 3h3f h SER 150 N 0.49 0.44 0.00 1.72 4.64 -1.41 -3.45 113.55 115.98 3h3f h SER 150 Ca 0.05 -0.49 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3h3f h SER 150 Cb 0.89 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3h3f h SER 150 CO 0.08 0.84 0.00 0.61 -0.87 0.00 0.00 176.83 177.48 3h3f n GLY 151 N 0.22 0.72 3.79 -0.77 0.00 -1.07 -5.05 105.19 103.03 3h3f n GLY 151 Ca -0.06 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 3h3f n GLY 151 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h3f s PHE 152 N -2.00 3.49 0.66 1.61 2.99 -1.26 -5.04 117.98 118.43 3h3f s PHE 152 Ca 0.00 1.71 -0.17 0.00 0.00 0.00 0.00 56.93 58.47 3h3f s PHE 152 Cb 0.00 -2.97 -0.03 0.00 0.00 0.00 0.00 43.02 40.03 3h3f s PHE 152 CO 0.00 -0.10 0.93 -2.30 -0.00 0.00 0.00 175.22 173.75 3h3f n PRO 153 N 0.13 0.69 0.23 0.24 -0.02 -1.26 -4.89 135.00 130.13 3h3f n PRO 153 Ca 0.04 0.28 0.08 0.00 -2.02 0.00 0.00 63.50 61.88 3h3f n PRO 153 Cb 0.51 -2.16 0.54 0.00 -0.02 0.00 0.00 33.50 32.37 3h3f n PRO 153 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3h3f h LYS 154 N 0.13 0.00 -0.22 -0.52 2.10 -1.96 -2.10 116.57 114.00 3h3f h LYS 154 Ca -0.48 0.00 0.06 0.00 -2.00 0.00 0.00 60.65 58.23 3h3f h LYS 154 Cb 1.35 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.68 3h3f h LYS 154 CO 0.49 0.22 0.21 -2.95 -2.00 0.00 0.00 179.45 175.42 3h3f h ASN 155 N 0.00 0.00 0.02 7.07 -1.07 -1.86 -2.62 115.58 117.12 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 0.47 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.72 3h3f h ASN 155 CO 0.03 0.00 -0.07 0.54 0.07 0.00 0.00 177.43 177.99 3h3f n ARG 156 N -3.97 1.70 -4.05 4.14 1.74 -0.79 -0.00 116.66 115.42 3h3f n ARG 156 Ca 0.02 -1.17 -0.32 0.00 -0.77 0.00 0.00 57.85 55.61 3h3f n ARG 156 Cb 0.35 -1.48 -0.15 0.00 -1.02 0.00 0.00 32.46 30.16 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 -2.11 2.27 -0.07 1.55 1.01 -0.99 -0.65 120.40 121.42 3h3f s VAL 157 Ca 0.32 -1.60 0.02 0.00 0.00 0.00 0.00 61.98 60.71 3h3f s VAL 157 Cb 0.20 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 3h3f s VAL 157 CO 0.37 -0.04 -0.12 -0.63 0.00 0.00 0.00 175.10 174.69 3h3f s ILE 158 N 1.12 3.27 -0.04 2.22 1.01 0.59 -4.76 121.20 124.60 3h3f s ILE 158 Ca -0.08 -0.63 -0.01 0.00 0.00 0.00 0.00 60.65 59.92 3h3f s ILE 158 Cb -0.20 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 3h3f s ILE 158 CO -0.05 0.58 0.02 -0.83 0.00 0.00 0.00 174.94 174.67 3h3f s GLY 159 N -0.58 1.90 0.25 6.18 0.00 -0.19 -1.72 107.32 113.16 3h3f s GLY 159 Ca 0.08 -0.86 -0.03 0.00 0.00 0.00 0.00 44.72 43.91 3h3f s GLY 159 CO 0.01 -0.68 1.84 0.23 0.00 0.00 0.00 173.10 174.50 3h3f h SER 160 N 4.68 0.83 0.00 1.64 0.87 -1.80 0.25 113.55 120.02 3h3f h SER 160 Ca -0.50 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 3h3f h SER 160 Cb 1.19 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 3h3f h SER 160 CO 0.57 0.50 0.00 0.61 -0.53 0.00 0.00 176.83 177.97 3h3f n GLY 161 N -1.33 2.51 1.68 5.77 0.00 -1.26 -2.02 105.19 110.54 3h3f n GLY 161 Ca 0.14 -0.20 0.06 0.00 0.00 0.00 0.00 46.02 46.02 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 3.42 -0.58 -0.49 0.00 -1.24 -0.62 0.04 115.58 116.11 3h3f h ASN 163 Ca 0.00 0.11 -0.08 0.00 0.71 0.00 0.00 56.30 57.04 3h3f h ASN 163 Cb 1.74 0.28 -0.02 0.00 0.73 0.00 0.00 38.32 41.06 3h3f h ASN 163 CO 0.41 -0.22 -0.02 0.25 -1.29 0.00 0.00 177.43 176.56 3h3f h LEU 164 N -0.19 0.87 -0.47 0.34 5.85 -1.81 -1.89 115.31 118.02 3h3f h LEU 164 Ca 0.12 -0.32 0.08 0.00 0.84 0.00 0.00 57.88 58.61 3h3f h LEU 164 Cb 0.38 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.10 3h3f h LEU 164 CO -0.32 0.98 0.07 0.44 -0.34 0.00 0.00 178.44 179.27 3h3f h ASP 165 N 0.74 -0.04 0.02 1.25 5.19 -1.74 -0.72 116.42 121.12 3h3f h ASP 165 Ca 0.14 0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 56.63 3h3f h ASP 165 Cb 0.54 0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.18 3h3f h ASP 165 CO 0.03 0.01 -0.01 0.28 -3.12 0.00 0.00 179.24 176.43 3h3f h SER 166 N 0.20 -0.02 -0.96 6.45 0.02 -0.90 -1.41 113.55 116.92 3h3f h SER 166 Ca 0.23 -0.18 0.10 0.00 -0.84 0.00 0.00 61.79 61.11 3h3f h SER 166 Cb 0.31 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.78 3h3f h SER 166 CO -0.32 0.16 0.61 0.00 -1.14 0.00 0.00 176.83 176.15 3h3f h ALA 167 N 0.76 1.56 -0.34 3.77 0.00 -1.09 0.16 119.26 124.08 3h3f h ALA 167 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3h3f h ALA 167 Cb 0.20 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3h3f h ALA 167 CO 0.00 0.23 -0.16 0.00 0.00 0.00 0.00 179.25 179.33 3h3f h ARG 168 N 0.97 0.62 0.14 0.00 3.08 -1.08 -2.16 114.38 115.95 3h3f h ARG 168 Ca 0.45 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 3h3f h ARG 168 Cb 0.42 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3h3f h ARG 168 CO -0.21 0.75 -0.07 0.35 -1.07 0.00 0.00 179.97 179.72 3h3f h PHE 169 N 0.56 -0.17 -0.33 3.04 3.04 0.37 -0.70 116.94 122.74 3h3f h PHE 169 Ca 0.09 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.10 3h3f h PHE 169 Cb 0.59 0.06 -0.02 0.00 2.56 0.00 0.00 35.95 39.14 3h3f h PHE 169 CO 0.02 -0.03 0.23 0.00 -2.02 0.00 0.00 178.31 176.51 3h3f h ARG 170 N -0.28 0.19 -0.06 1.11 3.08 -1.02 -0.42 114.38 116.98 3h3f h ARG 170 Ca -0.02 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 3h3f h ARG 170 Cb 0.22 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3h3f h ARG 170 CO 0.03 0.13 -0.32 -0.92 -1.07 0.00 0.00 179.97 177.82 3h3f h TYR 171 N 0.20 0.45 -0.33 3.04 3.20 -1.19 -1.14 116.97 121.19 3h3f h TYR 171 Ca 0.15 -0.20 -0.06 0.00 3.14 0.00 0.00 58.73 61.76 3h3f h TYR 171 Cb 0.33 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 3h3f h TYR 171 CO -0.00 0.94 -0.06 -0.07 -1.64 0.00 0.00 178.16 177.34 3h3f h LEU 172 N -0.17 0.51 0.88 2.82 3.38 -0.71 -2.35 115.31 119.67 3h3f h LEU 172 Ca -0.02 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 3h3f h LEU 172 Cb 0.98 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.60 3h3f h LEU 172 CO 0.07 0.62 -0.45 -0.03 0.09 0.00 0.00 178.44 178.74 3h3f h MET 173 N 0.51 -1.17 -0.60 1.13 4.05 -1.10 -0.77 114.93 116.97 3h3f h MET 173 Ca 0.10 0.08 0.05 0.00 -0.28 0.00 0.00 59.70 59.66 3h3f h MET 173 Cb 0.41 0.27 -0.07 0.00 -0.80 0.00 0.00 31.60 31.41 3h3f h MET 173 CO 0.02 -0.78 -0.36 0.41 0.23 0.00 0.00 176.91 176.43 3h3f n GLY 174 N -1.61 -2.41 0.33 1.39 0.00 -0.44 0.48 105.19 102.93 3h3f n GLY 174 Ca -0.15 0.88 0.14 0.00 0.00 0.00 0.00 46.02 46.89 3h3f n GLY 174 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h3f h GLU 175 N 0.00 0.49 -0.02 1.61 4.39 -1.32 0.90 114.58 120.62 3h3f h GLU 175 Ca 0.10 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.70 3h3f h GLU 175 Cb 0.25 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3h3f h GLU 175 CO -0.57 0.32 -0.30 0.00 -1.16 0.00 0.00 179.01 177.30 3h3f h ARG 176 N 0.50 0.04 0.00 2.33 3.08 0.16 -3.28 114.38 117.20 3h3f h ARG 176 Ca 0.59 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.62 3h3f h ARG 176 Cb 1.09 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.14 3h3f h ARG 176 CO -0.49 0.34 -1.91 1.28 -1.07 0.00 0.00 179.97 178.11 3h3f n LEU 177 N -4.17 0.00 0.00 3.04 7.99 0.63 -4.99 117.00 119.49 3h3f n LEU 177 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.98 3h3f n LEU 177 Cb 0.35 0.01 0.00 0.00 -0.11 0.00 0.00 43.42 43.68 3h3f n LEU 177 CO 0.38 0.01 0.00 0.61 -1.51 0.00 0.00 177.39 176.89 3h3f n GLY 178 N 1.40 0.75 3.26 -0.72 0.00 0.28 -5.06 105.19 105.10 3h3f n GLY 178 Ca -0.04 -0.68 -0.20 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.00 1.48 0.93 1.61 1.01 -0.99 -5.02 120.40 117.42 3h3f s VAL 179 Ca 0.00 -1.71 -0.11 0.00 0.00 0.00 0.00 61.98 60.16 3h3f s VAL 179 Cb 0.00 -1.57 0.15 0.00 0.00 0.00 0.00 36.38 34.96 3h3f s VAL 179 CO 0.00 -0.33 1.10 -2.28 0.00 0.00 0.00 175.10 173.59 3h3f s HIS 180 N -1.93 1.90 0.13 5.22 5.65 -1.26 -4.25 115.29 120.75 3h3f s HIS 180 Ca 0.09 1.50 -0.13 0.00 0.25 0.00 0.00 55.06 56.78 3h3f s HIS 180 Cb -0.06 -3.20 -0.02 0.00 -1.18 0.00 0.00 32.58 28.12 3h3f s HIS 180 CO 0.04 -2.74 1.54 0.00 -0.65 0.00 0.00 174.74 172.93 3h3f h ALA 181 N -1.81 0.58 -1.12 1.58 0.00 -1.90 -2.43 119.26 114.15 3h3f h ALA 181 Ca -0.48 -0.32 0.31 0.00 0.00 0.00 0.00 54.91 54.42 3h3f h ALA 181 Cb 1.28 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.83 3h3f h ALA 181 CO 0.48 0.44 0.75 -0.07 0.00 0.00 0.00 179.25 180.85 3h3f h LEU 182 N 0.62 0.29 -1.78 0.00 -0.00 -1.91 -0.87 115.31 111.66 3h3f h LEU 182 Ca 0.11 0.07 0.00 0.00 -0.00 0.00 0.00 57.88 58.06 3h3f h LEU 182 Cb 0.62 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.30 3h3f h LEU 182 CO 0.04 0.03 0.00 -1.20 -0.00 0.00 0.00 178.44 177.30 3h3f n SER 183 N -4.51 2.77 -4.51 -0.43 7.64 -0.93 -4.83 113.62 108.83 3h3f n SER 183 Ca 0.27 -1.92 -0.34 0.00 1.01 0.00 0.00 58.87 57.89 3h3f n SER 183 Cb 1.06 -0.01 -0.12 0.00 -1.01 0.00 0.00 64.21 64.14 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 0.56 2.21 -0.27 0.00 0.09 -0.83 -4.81 115.29 112.23 3h3f s HIS 185 Ca -0.01 -0.58 -0.27 0.00 -0.00 0.00 0.00 55.06 54.19 3h3f s HIS 185 Cb -0.14 -1.45 0.18 0.00 -0.00 0.00 0.00 32.58 31.17 3h3f s HIS 185 CO 0.02 -0.15 1.31 0.20 -0.00 0.00 0.00 174.74 176.12 3h3f s GLY 186 N -0.25 0.12 -0.11 -2.22 0.00 -1.26 -1.45 107.32 102.14 3h3f s GLY 186 Ca 0.00 2.97 0.00 0.00 0.00 0.00 0.00 44.72 47.69 3h3f s GLY 186 CO 0.02 1.46 -0.10 -0.98 0.00 0.00 0.00 173.10 173.50 3h3f s TRP 187 N -0.55 1.59 -0.26 1.90 0.52 -1.26 -4.80 118.94 116.09 3h3f s TRP 187 Ca 0.06 -0.77 -0.07 0.00 0.02 0.00 0.00 56.10 55.34 3h3f s TRP 187 Cb -0.03 -1.26 -0.02 0.00 -1.15 0.00 0.00 33.47 31.01 3h3f s TRP 187 CO -0.09 -0.49 0.07 0.42 0.02 0.00 0.00 176.95 176.88 3h3f s ILE 188 N 1.46 4.24 0.49 2.03 -1.09 -1.26 -1.72 121.20 125.35 3h3f s ILE 188 Ca 0.01 -0.27 0.03 0.00 -2.23 0.00 0.00 60.65 58.19 3h3f s ILE 188 Cb -0.13 -3.02 -0.02 0.00 -1.58 0.00 0.00 42.46 37.71 3h3f s ILE 188 CO -0.06 0.29 0.10 -0.76 -1.23 0.00 0.00 174.94 173.28 3h3f s LEU 189 N 1.59 2.54 0.00 2.97 1.02 -0.21 -4.69 118.68 121.91 3h3f s LEU 189 Ca 0.06 -1.47 0.00 0.00 0.02 0.00 0.00 54.13 52.74 3h3f s LEU 189 Cb -0.15 -0.93 0.00 0.00 0.02 0.00 0.00 46.19 45.13 3h3f s LEU 189 CO 0.03 -0.82 0.00 0.61 0.02 0.00 0.00 176.35 176.20 3h3f n GLY 190 N -1.32 0.63 3.62 -3.19 0.00 0.71 -1.16 105.19 104.48 3h3f n GLY 190 Ca -0.12 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.51 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 4.08 0.63 1.61 2.12 -1.26 0.13 118.70 126.00 3h3f s GLU 191 Ca 0.00 0.24 -0.05 0.00 0.36 0.00 0.00 54.97 55.52 3h3f s GLU 191 Cb 0.00 -3.63 -0.00 0.00 0.26 0.00 0.00 34.13 30.76 3h3f s GLU 191 CO 0.00 -0.27 -0.15 1.58 -0.54 0.00 0.00 175.26 175.88 3h3f n HIS 192 N 5.28 -1.43 -3.23 5.30 -0.00 -1.26 -2.50 115.22 117.38 3h3f n HIS 192 Ca -0.06 0.59 0.00 0.00 -0.00 0.00 0.00 57.72 58.25 3h3f n HIS 192 Cb 0.50 -1.38 0.00 0.00 -0.00 0.00 0.00 29.99 29.11 3h3f n HIS 192 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3h3f n GLY 193 N 2.99 0.09 0.01 1.57 0.00 -1.26 -3.99 105.19 104.60 3h3f n GLY 193 Ca 0.01 -1.16 0.12 0.00 0.00 0.00 0.00 46.02 44.99 3h3f n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h3f n ASP 194 N 2.09 0.45 -0.77 1.61 10.43 -1.26 -4.15 116.55 124.95 3h3f n ASP 194 Ca 0.00 -0.17 0.07 0.00 2.57 0.00 0.00 54.79 57.25 3h3f n ASP 194 Cb 0.00 0.13 0.18 0.00 1.84 0.00 0.00 41.12 43.28 3h3f n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3h3f n SER 195 N -1.46 3.11 -4.71 -2.24 7.64 -1.26 -5.02 113.62 109.68 3h3f n SER 195 Ca 0.06 -1.99 -0.34 0.00 1.01 0.00 0.00 58.87 57.61 3h3f n SER 195 Cb 0.34 -0.28 0.11 0.00 -1.01 0.00 0.00 64.21 63.37 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 -1.00 3.83 -0.11 6.43 1.04 -1.04 -4.65 113.70 118.19 3h3f s SER 196 Ca 0.28 2.40 0.01 0.00 0.48 0.00 0.00 55.95 59.12 3h3f s SER 196 Cb 0.15 -2.59 -0.01 0.00 0.10 0.00 0.00 66.02 63.66 3h3f s SER 196 CO 0.19 -2.51 -0.16 -0.69 0.98 0.00 0.00 173.24 171.06 3h3f s VAL 197 N -2.01 2.84 -0.12 5.02 1.01 -0.31 -4.93 120.40 121.90 3h3f s VAL 197 Ca 0.75 -0.75 -0.17 0.00 0.00 0.00 0.00 61.98 61.81 3h3f s VAL 197 Cb -0.30 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 3h3f s VAL 197 CO 0.48 0.54 0.45 -2.16 0.00 0.00 0.00 175.10 174.41 3h3f s PRO 198 N 0.21 4.31 -0.60 2.72 0.04 -1.26 -1.05 135.00 139.37 3h3f s PRO 198 Ca -0.10 0.40 -0.22 0.00 0.04 0.00 0.00 61.00 61.12 3h3f s PRO 198 Cb -0.16 -3.43 0.06 0.00 0.04 0.00 0.00 34.50 31.02 3h3f s PRO 198 CO 0.06 0.19 0.88 0.08 0.04 0.00 0.00 177.00 178.25 3h3f s VAL 199 N 0.53 4.47 0.24 -0.36 1.01 -0.70 -4.90 120.40 120.71 3h3f s VAL 199 Ca 0.24 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 3h3f s VAL 199 Cb -0.15 -4.57 0.12 0.00 0.00 0.00 0.00 36.38 31.79 3h3f s VAL 199 CO 0.09 -1.24 1.76 -0.50 0.00 0.00 0.00 175.10 175.21 3h3f h TRP 200 N 9.38 0.97 0.00 5.22 4.06 -1.93 -2.43 115.95 131.22 3h3f h TRP 200 Ca -0.28 -0.12 0.00 0.00 2.06 0.00 0.00 58.89 60.55 3h3f h TRP 200 Cb 1.08 -0.27 0.00 0.00 -1.00 0.00 0.00 29.16 28.96 3h3f h TRP 200 CO 0.91 0.83 0.00 -1.13 -3.56 0.00 0.00 178.44 175.49 3h3f n SER 201 N -4.23 0.00 0.00 -3.49 3.41 -1.26 -2.37 113.62 105.68 3h3f n SER 201 Ca 0.04 -0.51 0.00 0.00 -0.26 0.00 0.00 58.87 58.14 3h3f n SER 201 Cb 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 3h3f n SER 201 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h3f n GLY 202 N -0.15 0.05 3.64 5.00 0.00 -0.91 -4.97 105.19 107.86 3h3f n GLY 202 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.32 4.19 0.12 1.61 -1.94 -1.00 -4.41 119.30 117.54 3h3f s MET 203 Ca 0.00 1.02 -0.18 0.00 -1.71 0.00 0.00 55.69 54.82 3h3f s MET 203 Cb 0.00 -3.65 0.04 0.00 2.01 0.00 0.00 34.83 33.23 3h3f s MET 203 CO 0.00 -0.56 0.44 0.54 -0.01 0.00 0.00 175.02 175.43 3h3f s ASN 204 N 1.33 -0.30 0.01 3.03 4.22 -0.53 -1.62 114.94 121.08 3h3f s ASN 204 Ca 0.37 -0.22 0.07 0.00 -2.14 0.00 0.00 52.86 50.94 3h3f s ASN 204 Cb -0.15 0.49 -0.03 0.00 1.28 0.00 0.00 41.25 42.84 3h3f s ASN 204 CO 0.07 -0.84 -0.20 -0.69 -2.04 0.00 0.00 177.10 173.41 3h3f s VAL 205 N -3.59 2.65 -0.59 3.54 1.01 -0.98 -1.97 120.40 120.46 3h3f s VAL 205 Ca 0.01 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.89 3h3f s VAL 205 Cb 0.01 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.33 3h3f s VAL 205 CO -0.11 0.43 0.00 0.00 0.00 0.00 0.00 175.10 175.43 3h3f n ALA 206 N 1.88 -0.29 -0.49 5.51 0.00 -1.26 0.32 120.51 126.18 3h3f n ALA 206 Ca -0.16 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3h3f n ALA 206 Cb 0.52 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.24 0.75 3.57 0.00 0.00 -1.26 -5.01 105.19 103.00 3h3f n GLY 207 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 3h3f n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h3f s VAL 208 N -2.54 4.86 -0.47 1.61 1.01 0.94 -4.99 120.40 120.81 3h3f s VAL 208 Ca 0.00 0.60 -0.28 0.00 0.00 0.00 0.00 61.98 62.29 3h3f s VAL 208 Cb 0.00 -4.11 0.01 0.00 0.00 0.00 0.00 36.38 32.28 3h3f s VAL 208 CO 0.00 -0.36 1.47 -0.55 0.00 0.00 0.00 175.10 175.66 3h3f s SER 209 N 1.82 6.16 0.57 3.32 0.15 -1.26 -2.31 113.70 122.15 3h3f s SER 209 Ca 0.25 0.63 0.35 0.00 0.70 0.00 0.00 55.95 57.88 3h3f s SER 209 Cb -0.14 -2.54 1.44 0.00 -1.71 0.00 0.00 66.02 63.07 3h3f s SER 209 CO 0.15 -1.61 1.70 -0.07 1.20 0.00 0.00 173.24 174.62 3h3f h LEU 210 N 12.88 0.00 0.00 3.45 4.07 -1.65 -0.54 115.31 133.53 3h3f h LEU 210 Ca -0.28 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.68 3h3f h LEU 210 Cb 1.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.85 3h3f h LEU 210 CO 1.12 0.00 -0.98 1.17 -1.08 0.00 0.00 178.44 178.67 3h3f n LYS 211 N -3.85 0.52 0.01 1.13 4.81 -1.26 -1.86 118.16 117.66 3h3f n LYS 211 Ca 0.23 0.09 -0.05 0.00 -0.87 0.00 0.00 58.31 57.72 3h3f n LYS 211 Cb 1.26 -1.77 0.16 0.00 0.02 0.00 0.00 35.03 34.70 3h3f n LYS 211 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 3h3f h THR 212 N 0.00 1.29 0.12 3.15 2.02 -1.48 -2.77 112.91 115.23 3h3f h THR 212 Ca 0.00 -1.43 -0.29 0.00 0.77 0.00 0.00 66.41 65.46 3h3f h THR 212 Cb 0.93 1.47 0.02 0.00 -1.74 0.00 0.00 68.15 68.83 3h3f h THR 212 CO 0.00 0.45 -1.23 0.25 0.37 0.00 0.00 175.52 175.36 3h3f h LEU 213 N 0.42 0.72 -6.66 2.58 5.85 -1.54 -3.40 115.31 113.29 3h3f h LEU 213 Ca 0.05 -0.69 -0.57 0.00 0.84 0.00 0.00 57.88 57.51 3h3f h LEU 213 Cb 0.79 -0.23 -0.39 0.00 0.37 0.00 0.00 40.66 41.20 3h3f h LEU 213 CO 0.06 1.51 -0.83 -2.28 -0.34 0.00 0.00 178.44 176.56 3h3f s HIS 214 N -2.91 0.76 0.37 1.25 2.46 -0.78 -5.01 115.29 111.44 3h3f s HIS 214 Ca -0.08 -1.56 0.16 0.00 0.47 0.00 0.00 55.06 54.05 3h3f s HIS 214 Cb 0.06 -0.99 0.91 0.00 -0.13 0.00 0.00 32.58 32.43 3h3f s HIS 214 CO 0.91 -0.83 1.89 -1.35 -2.47 0.00 0.00 174.74 172.90 3h3f h PRO 215 N 7.23 0.00 -0.93 2.88 0.11 -1.72 -2.58 132.00 137.00 3h3f h PRO 215 Ca 0.01 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.81 3h3f h PRO 215 Cb 0.97 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 31.90 3h3f h PRO 215 CO 0.31 0.29 0.40 0.39 -0.21 0.00 0.00 178.00 179.18 3h3f n GLU 216 N -3.99 2.38 -1.98 1.05 1.02 -1.26 -4.95 120.64 112.91 3h3f n GLU 216 Ca -0.02 -2.32 -0.42 0.00 -0.02 0.00 0.00 57.16 54.38 3h3f n GLU 216 Cb 0.36 -1.94 -0.03 0.00 -0.02 0.00 0.00 31.44 29.81 3h3f n GLU 216 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3h3f s LEU 217 N -2.44 4.35 0.00 -4.62 2.96 -0.97 -3.29 118.68 114.67 3h3f s LEU 217 Ca 0.43 2.38 0.00 0.00 -0.22 0.00 0.00 54.13 56.72 3h3f s LEU 217 Cb 0.36 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.49 3h3f s LEU 217 CO 0.09 -0.88 0.00 0.61 -1.32 0.00 0.00 176.35 174.85 3h3f n GLY 218 N 4.00 0.56 3.74 7.98 0.00 -1.26 -4.97 105.19 115.24 3h3f n GLY 218 Ca 0.16 -0.83 -0.26 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.00 2.03 -2.18 2.61 2.01 -1.21 -4.63 115.64 112.28 3h3f s THR 219 Ca 0.00 -1.76 0.18 0.00 0.31 0.00 0.00 61.69 60.42 3h3f s THR 219 Cb 0.00 -2.79 0.43 0.00 0.01 0.00 0.00 72.50 70.15 3h3f s THR 219 CO 0.00 0.00 1.42 0.47 -0.69 0.00 0.00 174.62 175.82 3h3f n ASP 220 N -1.26 2.38 -0.04 3.53 9.92 -1.26 -3.19 116.55 126.62 3h3f n ASP 220 Ca -0.04 -1.90 -0.12 0.00 -0.53 0.00 0.00 54.79 52.20 3h3f n ASP 220 Cb 0.65 -0.23 -0.14 0.00 -0.64 0.00 0.00 41.12 40.76 3h3f n ASP 220 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3h3f n ALA 221 N 0.79 1.36 -1.47 2.24 0.00 -1.26 -4.93 120.51 117.23 3h3f n ALA 221 Ca 0.16 -0.88 -0.54 0.00 0.00 0.00 0.00 53.44 52.19 3h3f n ALA 221 Cb 0.41 -0.60 -0.08 0.00 0.00 0.00 0.00 19.45 19.18 3h3f n ALA 221 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3h3f n ASP 222 N -3.09 1.99 -0.49 0.00 2.03 -1.19 -4.74 116.55 111.06 3h3f n ASP 222 Ca -0.26 0.60 0.04 0.00 0.52 0.00 0.00 54.79 55.69 3h3f n ASP 222 Cb 1.07 -1.18 0.12 0.00 -0.72 0.00 0.00 41.12 40.40 3h3f n ASP 222 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 3h3f n LYS 223 N 7.50 1.61 0.00 -0.67 -0.00 -1.26 -2.90 118.16 122.44 3h3f n LYS 223 Ca 0.40 -0.94 0.04 0.00 -0.00 0.00 0.00 58.31 57.81 3h3f n LYS 223 Cb 0.17 -1.21 0.03 0.00 -0.00 0.00 0.00 35.03 34.01 3h3f n LYS 223 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3h3f n GLU 224 N 0.26 0.49 -3.21 -1.58 1.02 -1.26 -5.04 120.64 111.33 3h3f n GLU 224 Ca 0.09 -0.90 -0.20 0.00 -0.02 0.00 0.00 57.16 56.13 3h3f n GLU 224 Cb 0.23 -1.13 0.05 0.00 -0.02 0.00 0.00 31.44 30.57 3h3f n GLU 224 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3h3f n GLN 225 N 0.32 -5.68 0.24 3.49 -0.06 -1.14 -4.84 117.38 109.72 3h3f n GLN 225 Ca 0.04 0.74 0.10 0.00 -2.00 0.00 0.00 57.00 55.88 3h3f n GLN 225 Cb 0.19 -5.37 0.63 0.00 -4.06 0.00 0.00 30.24 21.64 3h3f n GLN 225 CO 0.00 0.00 0.00 -1.49 -0.20 0.00 0.00 177.06 175.37 3h3f h TRP 226 N -1.83 0.00 -0.70 3.69 4.06 -1.88 0.17 115.95 119.45 3h3f h TRP 226 Ca -0.47 0.00 0.24 0.00 2.06 0.00 0.00 58.89 60.72 3h3f h TRP 226 Cb 1.31 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.34 3h3f h TRP 226 CO 0.43 0.16 0.18 1.17 -3.56 0.00 0.00 178.44 176.83 3h3f n LYS 227 N -3.81 -0.05 0.13 0.49 3.00 -1.26 -0.38 118.16 116.27 3h3f n LYS 227 Ca -0.02 1.01 -0.00 0.00 -0.00 0.00 0.00 58.31 59.30 3h3f n LYS 227 Cb 0.27 -1.71 0.07 0.00 0.00 0.00 0.00 35.03 33.66 3h3f n LYS 227 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 3h3f h GLN 228 N 0.00 0.00 0.28 1.64 1.08 -1.02 -0.26 115.11 116.83 3h3f h GLN 228 Ca 0.51 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.71 3h3f h GLN 228 Cb 1.21 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.61 3h3f h GLN 228 CO -0.61 0.65 -0.32 0.28 -0.95 0.00 0.00 178.83 177.88 3h3f h VAL 229 N 0.00 0.34 -0.02 -0.54 2.07 -0.81 1.04 116.25 118.33 3h3f h VAL 229 Ca -0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 3h3f h VAL 229 Cb 1.36 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3h3f h VAL 229 CO 0.08 0.00 -0.06 -0.74 0.02 0.00 0.00 177.57 176.87 3h3f h HIS 230 N -0.64 -0.16 -0.15 1.57 -0.00 -1.31 0.32 115.15 114.78 3h3f h HIS 230 Ca -0.01 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.41 3h3f h HIS 230 Cb 0.60 0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 28.07 3h3f h HIS 230 CO -0.21 -0.10 0.39 -0.22 -0.00 0.00 0.00 177.93 177.79 3h3f h LYS 231 N -0.11 0.00 0.12 5.26 1.63 -0.84 -0.05 116.57 122.58 3h3f h LYS 231 Ca 0.03 0.00 -0.29 0.00 -0.85 0.00 0.00 60.65 59.54 3h3f h LYS 231 Cb 0.15 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.77 3h3f h LYS 231 CO -0.08 0.00 -1.44 0.37 -3.45 0.00 0.00 179.45 174.85 3h3f h GLN 232 N 0.00 0.25 -0.52 1.90 4.15 0.49 -3.16 115.11 118.21 3h3f h GLN 232 Ca 0.07 -0.42 0.03 0.00 0.77 0.00 0.00 58.65 59.11 3h3f h GLN 232 Cb 0.85 0.16 -0.04 0.00 0.21 0.00 0.00 27.48 28.65 3h3f h GLN 232 CO -0.00 1.13 0.30 0.28 -1.93 0.00 0.00 178.83 178.60 3h3f h VAL 233 N 0.07 1.02 -0.02 2.39 2.07 0.41 -3.11 116.25 119.08 3h3f h VAL 233 Ca -0.21 -0.20 -0.15 0.00 0.82 0.00 0.00 66.70 66.97 3h3f h VAL 233 Cb 2.00 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 3h3f h VAL 233 CO 0.17 0.11 -0.66 -0.37 0.02 0.00 0.00 177.57 176.83 3h3f h VAL 234 N 0.58 1.45 -0.02 2.57 -1.51 -1.43 -3.15 116.25 114.74 3h3f h VAL 234 Ca 0.22 -2.21 0.00 0.00 -1.23 0.00 0.00 66.70 63.48 3h3f h VAL 234 Cb 0.07 2.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 3h3f h VAL 234 CO -0.12 0.64 0.00 0.47 -1.23 0.00 0.00 177.57 177.33 3h3f n ASP 235 N -3.78 0.39 0.05 4.19 9.92 -1.19 -4.30 116.55 121.83 3h3f n ASP 235 Ca -0.02 -1.27 -0.21 0.00 -0.53 0.00 0.00 54.79 52.76 3h3f n ASP 235 Cb 0.66 -0.01 -0.15 0.00 -0.64 0.00 0.00 41.12 40.98 3h3f n ASP 235 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 3h3f h SER 236 N 0.57 0.51 -0.87 -2.24 0.02 -1.50 -2.26 113.55 107.78 3h3f h SER 236 Ca 0.00 -0.91 0.17 0.00 -0.84 0.00 0.00 61.79 60.21 3h3f h SER 236 Cb 0.12 -0.17 -0.10 0.00 0.14 0.00 0.00 62.40 62.39 3h3f h SER 236 CO 0.00 1.54 0.43 0.00 -1.14 0.00 0.00 176.83 177.67 3h3f h ALA 237 N 0.05 1.35 -0.13 3.77 0.00 -1.81 0.17 119.26 122.66 3h3f h ALA 237 Ca -0.23 0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 3h3f h ALA 237 Cb 1.79 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 3h3f h ALA 237 CO 0.14 -0.16 -0.58 -0.92 0.00 0.00 0.00 179.25 177.73 3h3f h TYR 238 N 0.57 0.52 -0.05 0.00 5.03 -1.78 -2.29 116.97 118.97 3h3f h TYR 238 Ca 0.50 -0.19 -0.04 0.00 2.58 0.00 0.00 58.73 61.57 3h3f h TYR 238 Cb 0.79 -0.10 0.00 0.00 1.55 0.00 0.00 36.73 38.97 3h3f h TYR 238 CO -0.10 0.89 -0.13 0.93 -1.32 0.00 0.00 178.16 178.43 3h3f h GLU 239 N 0.31 0.17 -0.48 1.82 4.39 -0.80 -0.31 114.58 119.69 3h3f h GLU 239 Ca -0.00 -0.12 -0.10 0.00 0.34 0.00 0.00 59.36 59.47 3h3f h GLU 239 Cb 1.11 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 3h3f h GLU 239 CO 0.10 0.74 -0.11 0.28 -1.16 0.00 0.00 179.01 178.86 3h3f h VAL 240 N -0.37 1.27 -0.15 3.13 2.07 -1.05 -0.23 116.25 120.91 3h3f h VAL 240 Ca -0.00 -1.24 -0.06 0.00 0.82 0.00 0.00 66.70 66.22 3h3f h VAL 240 Cb 0.75 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3h3f h VAL 240 CO 0.03 0.43 -0.15 0.40 0.02 0.00 0.00 177.57 178.29 3h3f h ILE 241 N 0.77 1.19 -0.34 4.57 2.04 -1.44 0.13 117.51 124.43 3h3f h ILE 241 Ca 0.12 -0.86 -0.09 0.00 1.00 0.00 0.00 64.86 65.03 3h3f h ILE 241 Cb 0.66 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 3h3f h ILE 241 CO 0.05 0.27 -0.17 0.50 0.00 0.00 0.00 178.15 178.79 3h3f h LYS 242 N 0.24 0.63 0.08 2.37 3.64 0.61 0.13 116.57 124.26 3h3f h LYS 242 Ca 0.05 -0.22 -0.33 0.00 -1.27 0.00 0.00 60.65 58.88 3h3f h LYS 242 Cb 0.42 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 3h3f h LYS 242 CO 0.03 0.77 -1.81 1.28 -2.27 0.00 0.00 179.45 177.45 3h3f n LEU 243 N -4.15 2.40 -0.22 5.20 4.77 -0.36 -4.47 117.00 120.16 3h3f n LEU 243 Ca 0.01 0.27 0.05 0.00 -0.03 0.00 0.00 56.01 56.30 3h3f n LEU 243 Cb 0.38 -1.06 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 3h3f n LEU 243 CO 0.42 0.68 0.22 2.29 -1.33 0.00 0.00 177.39 179.67 3h3f n LYS 244 N -3.79 2.00 0.00 3.23 2.85 0.38 -5.02 118.16 117.81 3h3f n LYS 244 Ca -0.33 -0.62 0.00 0.00 -1.05 0.00 0.00 58.31 56.31 3h3f n LYS 244 Cb 0.93 -1.07 0.00 0.00 -0.65 0.00 0.00 35.03 34.24 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 0.84 2.75 1.35 2.58 0.00 0.47 -4.95 105.19 108.23 3h3f n GLY 245 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.74 -4.57 1.61 4.11 -1.25 -4.86 117.16 109.46 3h3f n TYR 246 Ca 0.00 -0.41 -0.22 0.00 -0.00 0.00 0.00 57.90 57.27 3h3f n TYR 246 Cb 0.00 0.20 -0.15 0.00 -0.00 0.00 0.00 39.34 39.38 3h3f n TYR 246 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 3h3f s THR 247 N -2.34 1.02 0.00 -3.48 -4.23 -1.26 -4.36 115.64 100.99 3h3f s THR 247 Ca 0.08 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.08 3h3f s THR 247 Cb -0.01 -0.88 0.00 0.00 1.34 0.00 0.00 72.50 72.95 3h3f s THR 247 CO 0.02 0.30 0.00 0.35 -0.54 0.00 0.00 174.62 174.75 3h3f n THR 248 N 3.08 0.00 -0.03 3.99 -2.24 -1.26 -4.64 114.28 113.18 3h3f n THR 248 Ca -0.17 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.47 3h3f n THR 248 Cb 0.54 -0.07 -0.10 0.00 -2.10 0.00 0.00 70.33 68.60 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 0.22 -0.25 4.78 -0.00 -1.96 0.06 115.95 118.81 3h3f h TRP 249 Ca 0.00 -0.09 -0.05 0.00 -0.00 0.00 0.00 58.89 58.74 3h3f h TRP 249 Cb 0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 29.16 29.12 3h3f h TRP 249 CO 0.00 0.79 -0.06 0.00 -0.00 0.00 0.00 178.44 179.17 3h3f h ALA 250 N 0.39 0.35 -0.28 1.49 0.00 -1.99 -0.69 119.26 118.53 3h3f h ALA 250 Ca -0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3h3f h ALA 250 Cb 0.80 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3h3f h ALA 250 CO 0.03 0.14 0.07 0.97 0.00 0.00 0.00 179.25 180.46 3h3f h ILE 251 N 0.23 1.21 -0.63 0.00 6.09 -1.91 -1.47 117.51 121.04 3h3f h ILE 251 Ca 0.06 -0.71 0.04 0.00 -1.37 0.00 0.00 64.86 62.88 3h3f h ILE 251 Cb 0.52 1.16 -0.04 0.00 0.47 0.00 0.00 36.82 38.93 3h3f h ILE 251 CO 0.02 0.23 0.42 1.23 -3.07 0.00 0.00 178.15 176.98 3h3f h GLY 252 N 0.28 0.84 1.00 8.18 0.00 -0.88 -0.60 103.07 111.88 3h3f h GLY 252 Ca 0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 3h3f h GLY 252 CO 0.00 0.24 0.31 1.41 0.00 0.00 0.00 176.54 178.50 3h3f h LEU 253 N 0.72 0.81 -0.77 3.11 3.38 -0.74 -2.04 115.31 119.79 3h3f h LEU 253 Ca 0.26 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 3h3f h LEU 253 Cb 0.11 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3h3f h LEU 253 CO -0.07 0.70 -0.51 0.77 0.09 0.00 0.00 178.44 179.42 3h3f h SER 254 N 0.85 0.29 -0.50 -0.43 4.64 -0.96 -2.98 113.55 114.46 3h3f h SER 254 Ca 0.21 -0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 61.34 3h3f h SER 254 Cb 0.10 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 3h3f h SER 254 CO -0.03 0.75 0.13 0.58 -0.87 0.00 0.00 176.83 177.39 3h3f h VAL 255 N 0.21 1.24 0.00 0.95 2.07 -1.00 -2.56 116.25 117.15 3h3f h VAL 255 Ca 0.01 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 3h3f h VAL 255 Cb 0.98 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3h3f h VAL 255 CO 0.08 0.30 -0.04 0.00 0.02 0.00 0.00 177.57 177.93 3h3f h ALA 256 N 1.00 1.42 0.11 1.67 0.00 -1.34 0.66 119.26 122.77 3h3f h ALA 256 Ca 0.16 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.79 3h3f h ALA 256 Cb 0.32 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.13 3h3f h ALA 256 CO 0.00 0.05 -1.01 0.22 0.00 0.00 0.00 179.25 178.51 3h3f h ASP 257 N 0.00 0.70 0.28 0.00 -0.00 -1.36 0.24 116.42 116.27 3h3f h ASP 257 Ca -0.00 -0.85 -0.01 0.00 -0.00 0.00 0.00 57.03 56.16 3h3f h ASP 257 Cb 0.11 -0.22 0.00 0.00 -0.00 0.00 0.00 39.33 39.22 3h3f h ASP 257 CO 0.01 1.48 -0.13 -0.07 -0.00 0.00 0.00 179.24 180.52 3h3f h LEU 258 N 0.01 -0.31 -1.51 2.28 3.38 -1.28 -1.82 115.31 116.06 3h3f h LEU 258 Ca -0.16 -0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.05 3h3f h LEU 258 Cb 1.74 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 42.49 3h3f h LEU 258 CO 0.19 -0.21 0.65 0.00 0.09 0.00 0.00 178.44 179.17 3h3f h ALA 259 N 0.33 2.32 -0.20 1.53 0.00 -0.86 -0.93 119.26 121.45 3h3f h ALA 259 Ca -0.04 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3h3f h ALA 259 Cb 0.30 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3h3f h ALA 259 CO 0.06 -0.66 -0.05 1.49 0.00 0.00 0.00 179.25 180.09 3h3f h GLU 260 N 0.35 0.39 -0.74 0.00 4.81 -0.14 -1.01 114.58 118.24 3h3f h GLU 260 Ca 0.53 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.63 3h3f h GLU 260 Cb 1.42 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.74 3h3f h GLU 260 CO -0.21 0.65 0.47 0.77 -0.73 0.00 0.00 179.01 179.96 3h3f h SER 261 N 0.10 0.79 0.57 1.04 0.02 -0.56 -2.71 113.55 112.80 3h3f h SER 261 Ca 0.05 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 3h3f h SER 261 Cb 0.51 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.87 3h3f h SER 261 CO 0.02 0.55 -0.30 0.40 -1.14 0.00 0.00 176.83 176.36 3h3f h ILE 262 N 0.93 0.39 0.00 3.27 2.04 -0.90 -1.47 117.51 121.78 3h3f h ILE 262 Ca 0.29 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.14 3h3f h ILE 262 Cb -0.02 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3h3f h ILE 262 CO -0.10 0.00 -0.02 0.24 0.00 0.00 0.00 178.15 178.27 3h3f h MET 263 N -0.80 0.00 -0.18 2.37 2.86 -1.12 -2.66 114.93 115.40 3h3f h MET 263 Ca -0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3h3f h MET 263 Cb 0.63 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.29 3h3f h MET 263 CO 0.11 0.02 0.00 1.63 1.06 0.00 0.00 176.91 179.73 3h3f n LYS 264 N -3.12 2.92 -3.50 1.72 5.02 -1.03 -4.97 118.16 115.20 3h3f n LYS 264 Ca 0.01 -1.80 -0.24 0.00 -2.02 0.00 0.00 58.31 54.25 3h3f n LYS 264 Cb 0.35 -1.15 0.06 0.00 -0.02 0.00 0.00 35.03 34.28 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 0.02 -6.12 -0.20 4.39 5.15 -0.67 -4.88 115.26 112.95 3h3f n ASN 265 Ca 0.06 -0.51 0.04 0.00 -0.60 0.00 0.00 54.58 53.57 3h3f n ASN 265 Cb 0.35 -4.85 0.30 0.00 -0.53 0.00 0.00 39.78 35.05 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 -2.31 0.76 -1.96 1.20 3.38 -1.51 -3.45 115.31 111.42 3h3f h LEU 266 Ca -0.56 -0.01 -0.47 0.00 0.09 0.00 0.00 57.88 56.93 3h3f h LEU 266 Cb 1.37 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 3h3f h LEU 266 CO 0.58 0.52 -0.87 0.54 0.09 0.00 0.00 178.44 179.29 3h3f n ARG 267 N -4.46 -3.68 -2.18 1.13 1.74 0.28 -5.00 116.66 104.49 3h3f n ARG 267 Ca 0.10 0.48 -0.29 0.00 -0.77 0.00 0.00 57.85 57.37 3h3f n ARG 267 Cb 0.13 -4.72 0.02 0.00 -1.02 0.00 0.00 32.46 26.88 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 -6.32 3.25 -0.26 5.56 0.52 -1.18 -4.64 118.95 115.89 3h3f s ARG 268 Ca 0.03 0.37 -0.14 0.00 -0.52 0.00 0.00 55.73 55.48 3h3f s ARG 268 Cb -0.01 -2.18 -0.04 0.00 0.52 0.00 0.00 34.95 33.23 3h3f s ARG 268 CO 0.86 -0.62 0.31 0.08 0.02 0.00 0.00 175.30 175.95 3h3f s VAL 269 N -3.07 5.23 0.15 3.52 1.01 -1.26 -0.75 120.40 125.23 3h3f s VAL 269 Ca 0.54 0.45 0.09 0.00 0.00 0.00 0.00 61.98 63.06 3h3f s VAL 269 Cb -0.11 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 3h3f s VAL 269 CO 0.49 0.22 -0.21 -1.00 0.00 0.00 0.00 175.10 174.60 3h3f s HIS 270 N 1.72 2.00 -0.62 5.22 0.09 0.00 -4.85 115.29 118.85 3h3f s HIS 270 Ca 0.13 -0.42 -0.20 0.00 -0.00 0.00 0.00 55.06 54.57 3h3f s HIS 270 Cb -0.15 -1.03 0.09 0.00 -0.00 0.00 0.00 32.58 31.50 3h3f s HIS 270 CO 0.09 0.35 0.79 -1.25 -0.00 0.00 0.00 174.74 174.72 3h3f s PRO 271 N -2.47 3.07 0.46 8.40 0.04 -1.26 -0.67 135.00 142.58 3h3f s PRO 271 Ca 0.15 -1.19 0.02 0.00 0.04 0.00 0.00 61.00 60.02 3h3f s PRO 271 Cb -0.08 -4.27 -0.01 0.00 0.04 0.00 0.00 34.50 30.19 3h3f s PRO 271 CO 0.07 -1.63 0.06 0.44 0.04 0.00 0.00 177.00 175.98 3h3f n ILE 272 N 5.65 0.00 -3.65 0.56 -5.35 -1.18 -1.44 119.36 113.96 3h3f n ILE 272 Ca -0.07 -2.38 -0.37 0.00 -0.27 0.00 0.00 62.75 59.66 3h3f n ILE 272 Cb 0.43 0.64 -0.10 0.00 -1.74 0.00 0.00 39.64 38.87 3h3f n ILE 272 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3h3f s SER 273 N -3.65 6.07 0.17 7.28 0.15 0.87 -2.64 113.70 121.94 3h3f s SER 273 Ca 0.09 0.07 -0.01 0.00 0.70 0.00 0.00 55.95 56.80 3h3f s SER 273 Cb 0.00 -2.10 -0.04 0.00 -1.71 0.00 0.00 66.02 62.17 3h3f s SER 273 CO 0.06 0.04 0.09 0.28 1.20 0.00 0.00 173.24 174.91 3h3f s THR 274 N 1.24 0.10 -0.78 6.45 -1.32 -0.46 -1.02 115.64 119.85 3h3f s THR 274 Ca 0.07 -1.96 -0.26 0.00 -1.21 0.00 0.00 61.69 58.34 3h3f s THR 274 Cb -0.14 -2.27 0.04 0.00 -1.51 0.00 0.00 72.50 68.62 3h3f s THR 274 CO 0.06 -0.24 1.27 -0.32 -2.21 0.00 0.00 174.62 173.18 3h3f s MET 275 N -4.09 3.25 -0.20 7.08 1.75 -1.26 -1.51 119.30 124.32 3h3f s MET 275 Ca 0.31 -0.47 0.16 0.00 -1.25 0.00 0.00 55.69 54.44 3h3f s MET 275 Cb 0.07 -4.38 0.63 0.00 2.84 0.00 0.00 34.83 33.99 3h3f s MET 275 CO 0.07 -2.12 1.54 1.47 -0.65 0.00 0.00 175.02 175.33 3h3f n LEU 276 N 9.08 4.53 -4.56 4.11 -0.00 -1.04 -4.98 117.00 124.15 3h3f n LEU 276 Ca 0.07 -3.01 -0.54 0.00 -0.00 0.00 0.00 56.01 52.54 3h3f n LEU 276 Cb 0.49 -0.60 -0.06 0.00 -0.00 0.00 0.00 43.42 43.25 3h3f n LEU 276 CO 0.69 0.67 0.77 1.17 -0.00 0.00 0.00 177.39 180.69 3h3f n LYS 277 N -0.16 0.79 0.00 1.47 4.81 -1.26 -0.93 118.16 122.89 3h3f n LYS 277 Ca 0.24 0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 3h3f n LYS 277 Cb 1.01 -1.86 0.00 0.00 0.02 0.00 0.00 35.03 34.19 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 2.17 2.17 3.35 3.14 0.00 0.03 -5.01 105.19 111.04 3h3f n GLY 278 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 2.31 -0.48 0.99 1.43 -0.11 -4.58 118.68 118.25 3h3f s LEU 279 Ca 0.00 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 3h3f s LEU 279 Cb 0.00 -1.10 0.00 0.00 0.03 0.00 0.00 46.19 45.12 3h3f s LEU 279 CO 0.00 0.14 0.00 -1.22 0.23 0.00 0.00 176.35 175.50 3h3f n TYR 280 N 0.96 0.00 -0.63 0.29 4.02 -1.26 -1.55 117.16 118.99 3h3f n TYR 280 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 3h3f n TYR 280 Cb 0.53 -1.69 0.00 0.00 -0.02 0.00 0.00 39.34 38.17 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 -0.68 0.87 3.71 2.72 0.00 -1.26 -4.92 105.19 105.63 3h3f n GLY 281 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 3h3f n GLY 281 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3h3f n ILE 282 N -2.00 1.06 0.62 -0.61 2.08 -0.60 -4.87 119.36 115.04 3h3f n ILE 282 Ca 0.00 -0.26 0.07 0.00 0.56 0.00 0.00 62.75 63.11 3h3f n ILE 282 Cb 0.00 -1.74 0.00 0.00 -0.75 0.00 0.00 39.64 37.15 3h3f n ILE 282 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 3h3f n LYS 283 N 1.99 1.76 -4.37 0.38 4.76 -1.26 -0.79 118.16 120.63 3h3f n LYS 283 Ca 0.09 -0.78 -0.24 0.00 -2.87 0.00 0.00 58.31 54.51 3h3f n LYS 283 Cb 0.35 -1.21 -0.09 0.00 -1.84 0.00 0.00 35.03 32.24 3h3f n LYS 283 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3h3f s GLU 284 N -1.67 2.02 -0.51 1.97 0.41 -1.26 -4.79 118.70 114.87 3h3f s GLU 284 Ca 0.12 -1.70 -0.27 0.00 -0.41 0.00 0.00 54.97 52.71 3h3f s GLU 284 Cb 0.11 -1.93 -0.02 0.00 -1.78 0.00 0.00 34.13 30.52 3h3f s GLU 284 CO 0.34 0.23 1.79 -0.51 -0.49 0.00 0.00 175.26 176.62 3h3f s ASP 285 N -3.65 5.58 -0.05 -0.19 -0.00 -1.26 -4.04 116.67 113.05 3h3f s ASP 285 Ca 0.33 0.67 -0.08 0.00 -0.00 0.00 0.00 52.55 53.46 3h3f s ASP 285 Cb -0.02 -2.53 0.02 0.00 -0.00 0.00 0.00 42.92 40.38 3h3f s ASP 285 CO 0.18 -2.08 0.21 -0.69 -0.00 0.00 0.00 175.17 172.79 3h3f s VAL 286 N 8.01 0.03 -0.28 -1.27 1.01 -1.26 -4.91 120.40 121.73 3h3f s VAL 286 Ca 0.70 -0.24 -0.10 0.00 0.00 0.00 0.00 61.98 62.33 3h3f s VAL 286 Cb -0.16 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 3h3f s VAL 286 CO 0.26 -0.13 0.16 -0.36 0.00 0.00 0.00 175.10 175.03 3h3f s PHE 287 N -0.46 3.19 0.13 5.22 0.08 -1.25 -2.51 117.98 122.38 3h3f s PHE 287 Ca -0.06 -0.06 0.04 0.00 0.12 0.00 0.00 56.93 56.98 3h3f s PHE 287 Cb -0.04 -2.35 -0.04 0.00 -0.57 0.00 0.00 43.02 40.02 3h3f s PHE 287 CO 0.01 -0.23 -0.10 -0.51 -0.10 0.00 0.00 175.22 174.29 3h3f s LEU 288 N 1.72 2.50 0.01 -0.37 1.43 -0.57 -4.75 118.68 118.65 3h3f s LEU 288 Ca 0.07 -0.96 -0.25 0.00 -1.03 0.00 0.00 54.13 51.96 3h3f s LEU 288 Cb -0.16 -0.34 -0.05 0.00 0.03 0.00 0.00 46.19 45.67 3h3f s LEU 288 CO 0.09 -0.31 0.76 -0.44 0.23 0.00 0.00 176.35 176.68 3h3f s SER 289 N -2.97 7.16 0.06 2.29 0.01 0.34 -1.35 113.70 119.24 3h3f s SER 289 Ca 0.14 1.39 -0.17 0.00 1.31 0.00 0.00 55.95 58.61 3h3f s SER 289 Cb 0.01 -2.46 0.04 0.00 0.21 0.00 0.00 66.02 63.82 3h3f s SER 289 CO 0.00 -0.03 0.41 -0.69 0.41 0.00 0.00 173.24 173.34 3h3f s VAL 290 N 0.23 0.06 -0.06 3.43 1.01 -1.08 -0.21 120.40 123.78 3h3f s VAL 290 Ca 0.39 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 3h3f s VAL 290 Cb -0.20 -1.01 -0.05 0.00 0.00 0.00 0.00 36.38 35.12 3h3f s VAL 290 CO 0.22 -0.27 1.60 -2.84 0.00 0.00 0.00 175.10 173.80 3h3f s PRO 291 N -2.83 4.19 -0.03 2.72 0.02 -1.26 -3.10 135.00 134.71 3h3f s PRO 291 Ca -0.03 2.13 0.06 0.00 0.02 0.00 0.00 61.00 63.18 3h3f s PRO 291 Cb -0.00 -3.93 -0.01 0.00 0.02 0.00 0.00 34.50 30.58 3h3f s PRO 291 CO -0.05 -0.81 -0.22 0.00 -0.33 0.00 0.00 177.00 175.59 3h3f s VAL 293 N -0.40 4.16 -0.02 0.00 1.01 -1.13 -0.82 120.40 123.20 3h3f s VAL 293 Ca 0.05 1.75 0.01 0.00 0.00 0.00 0.00 61.98 63.79 3h3f s VAL 293 Cb -0.10 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.18 3h3f s VAL 293 CO 0.00 0.25 -0.02 -0.22 0.00 0.00 0.00 175.10 175.11 3h3f s LEU 294 N 0.11 1.55 0.00 3.92 2.96 0.07 -3.10 118.68 124.19 3h3f s LEU 294 Ca 0.51 -0.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.36 3h3f s LEU 294 Cb -0.27 -0.24 0.00 0.00 0.50 0.00 0.00 46.19 46.18 3h3f s LEU 294 CO 0.32 -0.03 0.00 0.61 -1.32 0.00 0.00 176.35 175.93 3h3f n GLY 295 N 3.63 2.42 0.04 7.98 0.00 -1.12 -0.55 105.19 117.59 3h3f n GLY 295 Ca -0.21 -0.50 0.15 0.00 0.00 0.00 0.00 46.02 45.46 3h3f n GLY 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3f n GLN 296 N 0.00 0.66 -1.03 1.61 10.64 -1.23 -2.58 117.38 125.45 3h3f n GLN 296 Ca 0.00 -0.08 -0.03 0.00 -1.83 0.00 0.00 57.00 55.07 3h3f n GLN 296 Cb 0.00 -1.50 0.15 0.00 -0.86 0.00 0.00 30.24 28.03 3h3f n GLN 296 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3h3f n ASN 297 N -1.10 2.62 0.00 2.61 5.03 -1.26 -5.04 115.26 118.12 3h3f n ASN 297 Ca 0.17 -3.82 0.00 0.00 0.87 0.00 0.00 54.58 51.79 3h3f n ASN 297 Cb 0.22 -0.47 0.00 0.00 -1.02 0.00 0.00 39.78 38.51 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 -0.98 1.12 3.52 7.41 0.00 -1.07 -4.44 105.19 110.76 3h3f n GLY 298 Ca 0.26 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 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 4.88 -0.34 -0.61 1.01 1.00 -2.78 121.20 124.36 3h3f s ILE 299 Ca 0.00 0.13 0.21 0.00 0.00 0.00 0.00 60.65 60.99 3h3f s ILE 299 Cb 0.00 -4.15 -0.29 0.00 0.01 0.00 0.00 42.46 38.03 3h3f s ILE 299 CO 0.00 -0.52 0.60 -1.54 0.00 0.00 0.00 174.94 173.48 3h3f n SER 300 N 6.12 0.47 -3.24 3.58 3.41 -1.18 -4.35 113.62 118.44 3h3f n SER 300 Ca -0.02 -0.33 -0.11 0.00 -0.26 0.00 0.00 58.87 58.15 3h3f n SER 300 Cb 0.48 1.63 -0.01 0.00 -0.26 0.00 0.00 64.21 66.05 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 -3.90 0.29 -0.14 4.04 1.11 -1.26 -5.05 116.67 111.76 3h3f s ASP 301 Ca -0.02 -1.19 -0.13 0.00 0.18 0.00 0.00 52.55 51.38 3h3f s ASP 301 Cb 0.14 0.75 0.04 0.00 1.07 0.00 0.00 42.92 44.92 3h3f s ASP 301 CO 0.86 -1.47 0.38 -0.69 1.18 0.00 0.00 175.17 175.43 3h3f s VAL 302 N -2.90 0.00 0.10 -1.27 1.01 -1.26 -2.83 120.40 113.25 3h3f s VAL 302 Ca 0.21 -0.02 -0.20 0.00 0.00 0.00 0.00 61.98 61.97 3h3f s VAL 302 Cb -0.03 -0.54 -0.07 0.00 0.00 0.00 0.00 36.38 35.74 3h3f s VAL 302 CO 0.14 -0.01 0.61 -0.69 0.00 0.00 0.00 175.10 175.15 3h3f s VAL 303 N 0.13 4.66 -0.99 2.92 1.01 -0.22 -4.99 120.40 122.93 3h3f s VAL 303 Ca -0.01 1.31 -0.09 0.00 0.00 0.00 0.00 61.98 63.19 3h3f s VAL 303 Cb -0.03 -3.94 0.25 0.00 0.00 0.00 0.00 36.38 32.66 3h3f s VAL 303 CO 0.01 0.53 0.95 -0.54 0.00 0.00 0.00 175.10 176.05 3h3f s LYS 304 N -1.16 3.86 0.51 2.72 1.02 -1.26 -4.51 119.74 120.92 3h3f s LYS 304 Ca 0.31 -2.99 -0.23 0.00 0.02 0.00 0.00 55.97 53.08 3h3f s LYS 304 Cb -0.20 -4.42 -0.06 0.00 -0.52 0.00 0.00 37.83 32.63 3h3f s LYS 304 CO 0.21 -1.25 1.38 0.08 -0.92 0.00 0.00 175.35 174.84 3h3f s VAL 305 N -0.82 2.10 -0.44 3.17 1.01 -1.26 -4.96 120.40 119.20 3h3f s VAL 305 Ca 0.26 0.08 -0.22 0.00 0.00 0.00 0.00 61.98 62.11 3h3f s VAL 305 Cb -0.10 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.26 3h3f s VAL 305 CO -0.09 0.00 0.70 -0.89 0.00 0.00 0.00 175.10 174.83 3h3f s THR 306 N -1.27 4.76 0.12 3.92 2.01 -1.26 -5.05 115.64 118.86 3h3f s THR 306 Ca 0.67 0.27 0.03 0.00 0.31 0.00 0.00 61.69 62.97 3h3f s THR 306 Cb -0.41 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 67.81 3h3f s THR 306 CO 0.51 -0.63 0.19 -0.76 -0.69 0.00 0.00 174.62 173.23 3h3f s LEU 307 N 3.01 4.12 1.07 4.42 1.43 -1.26 -5.04 118.68 126.42 3h3f s LEU 307 Ca 0.26 0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 53.33 3h3f s LEU 307 Cb -0.13 -2.72 0.23 0.00 0.03 0.00 0.00 46.19 43.59 3h3f s LEU 307 CO 0.20 0.11 1.06 0.42 0.23 0.00 0.00 176.35 178.37 3h3f s THR 308 N -1.62 2.12 -0.28 5.49 -4.23 -1.26 -4.71 115.64 111.14 3h3f s THR 308 Ca 0.33 0.04 0.27 0.00 -1.18 0.00 0.00 61.69 61.14 3h3f s THR 308 Cb -0.12 -2.22 0.35 0.00 1.34 0.00 0.00 72.50 71.86 3h3f s THR 308 CO 0.26 -0.05 1.74 0.77 -0.54 0.00 0.00 174.62 176.80 3h3f h SER 309 N -2.28 0.00 -0.03 3.99 4.64 -1.98 0.36 113.55 118.26 3h3f h SER 309 Ca -0.56 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.69 3h3f h SER 309 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3h3f h SER 309 CO 0.51 0.00 -0.25 -0.08 -0.87 0.00 0.00 176.83 176.14 3h3f h GLU 310 N 0.00 0.22 0.72 4.77 4.81 -1.98 -2.79 114.58 120.32 3h3f h GLU 310 Ca 0.00 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.00 3h3f h GLU 310 Cb 0.81 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.24 3h3f h GLU 310 CO 0.00 0.88 -0.45 0.93 -0.73 0.00 0.00 179.01 179.64 3h3f h GLU 311 N -0.38 -1.06 -0.18 1.92 5.08 -1.88 -0.97 114.58 117.13 3h3f h GLU 311 Ca -0.02 0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.46 3h3f h GLU 311 Cb 0.94 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 3h3f h GLU 311 CO 0.05 -0.70 0.96 1.49 -1.00 0.00 0.00 179.01 179.80 3h3f h GLU 312 N -1.10 0.00 0.04 2.33 4.81 -1.05 0.62 114.58 120.24 3h3f h GLU 312 Ca -0.10 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.87 3h3f h GLU 312 Cb 0.88 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.23 3h3f h GLU 312 CO 0.10 0.00 -1.37 0.00 -0.73 0.00 0.00 179.01 177.00 3h3f h ALA 313 N 0.26 0.43 0.17 2.92 0.00 -0.89 -3.18 119.26 118.96 3h3f h ALA 313 Ca 0.08 -1.12 -0.01 0.00 0.00 0.00 0.00 54.91 53.86 3h3f h ALA 313 Cb 1.99 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.95 3h3f h ALA 313 CO -0.00 1.29 -0.08 0.45 0.00 0.00 0.00 179.25 180.91 3h3f h HIS 314 N 0.03 -0.21 -0.85 0.00 3.86 0.54 -2.02 115.15 116.50 3h3f h HIS 314 Ca -0.17 -0.01 0.22 0.00 -1.16 0.00 0.00 60.37 59.26 3h3f h HIS 314 Cb 1.92 0.07 -0.14 0.00 1.06 0.00 0.00 27.41 30.32 3h3f h HIS 314 CO 0.02 0.21 0.16 -0.07 0.86 0.00 0.00 177.93 179.11 3h3f h LEU 315 N -0.77 -0.12 0.54 2.43 4.07 -1.68 0.64 115.31 120.42 3h3f h LEU 315 Ca -0.02 0.20 -0.03 0.00 0.08 0.00 0.00 57.88 58.11 3h3f h LEU 315 Cb 0.52 0.30 0.01 0.00 1.08 0.00 0.00 40.66 42.56 3h3f h LEU 315 CO 0.04 -0.17 -0.26 0.50 -1.08 0.00 0.00 178.44 177.47 3h3f h LYS 316 N 0.17 -0.70 -0.44 1.13 3.11 -1.50 0.11 116.57 118.46 3h3f h LYS 316 Ca 0.51 0.05 0.08 0.00 -2.81 0.00 0.00 60.65 58.48 3h3f h LYS 316 Cb 1.00 0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 32.37 3h3f h LYS 316 CO -0.67 -0.44 0.30 0.87 -2.81 0.00 0.00 179.45 176.69 3h3f h LYS 317 N -0.77 0.24 -0.15 1.90 1.79 -0.59 -2.39 116.57 116.60 3h3f h LYS 317 Ca -0.07 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.38 3h3f h LYS 317 Cb 0.58 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 3h3f h LYS 317 CO 0.12 0.16 0.07 0.77 -1.08 0.00 0.00 179.45 179.49 3h3f h SER 318 N 0.25 0.19 0.05 0.86 0.02 0.26 -1.83 113.55 113.36 3h3f h SER 318 Ca 0.20 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3h3f h SER 318 Cb 0.46 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 3h3f h SER 318 CO -0.04 0.25 -0.05 0.00 -1.14 0.00 0.00 176.83 175.85 3h3f h ALA 319 N 0.95 1.88 -0.02 3.77 0.00 -0.45 -1.66 119.26 123.73 3h3f h ALA 319 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3h3f h ALA 319 Cb 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3h3f h ALA 319 CO -0.01 0.06 -0.01 -0.44 0.00 0.00 0.00 179.25 178.85 3h3f h ASP 320 N 0.00 0.05 -0.22 0.00 5.19 -1.29 0.48 116.42 120.62 3h3f h ASP 320 Ca -0.00 -0.43 0.05 0.00 -0.62 0.00 0.00 57.03 56.03 3h3f h ASP 320 Cb 0.09 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.58 3h3f h ASP 320 CO 0.01 0.47 0.16 0.74 -3.12 0.00 0.00 179.24 177.49 3h3f h THR 321 N -0.38 0.93 0.13 0.35 2.02 -0.99 -1.44 112.91 113.53 3h3f h THR 321 Ca 0.00 -0.02 -0.29 0.00 0.77 0.00 0.00 66.41 66.87 3h3f h THR 321 Cb 0.45 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3h3f h THR 321 CO 0.00 0.01 -1.50 0.25 0.37 0.00 0.00 175.52 174.66 3h3f h LEU 322 N 0.07 0.43 -0.26 2.58 5.85 -1.08 -2.89 115.31 120.02 3h3f h LEU 322 Ca 0.10 -0.87 -0.08 0.00 0.84 0.00 0.00 57.88 57.87 3h3f h LEU 322 Cb 0.32 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3h3f h LEU 322 CO -0.01 1.66 -0.15 -0.25 -0.34 0.00 0.00 178.44 179.35 3h3f h TRP 323 N -0.21 0.65 -0.85 1.25 2.91 0.17 -2.51 115.95 117.35 3h3f h TRP 323 Ca -0.32 -0.17 0.14 0.00 1.13 0.00 0.00 58.89 59.67 3h3f h TRP 323 Cb 1.84 -0.15 -0.14 0.00 -0.51 0.00 0.00 29.16 30.20 3h3f h TRP 323 CO 0.12 0.83 -0.37 0.78 -1.03 0.00 0.00 178.44 178.76 3h3f h GLY 324 N 0.28 -0.01 0.87 2.65 0.00 -1.36 -0.41 103.07 105.09 3h3f h GLY 324 Ca 0.05 0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.86 3h3f h GLY 324 CO 0.04 -0.20 -0.30 -2.22 0.00 0.00 0.00 176.54 173.86 3h3f h ILE 325 N -0.06 0.38 -0.74 2.60 2.04 -1.33 -2.51 117.51 117.88 3h3f h ILE 325 Ca 0.30 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.25 3h3f h ILE 325 Cb 0.58 0.38 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 3h3f h ILE 325 CO -0.88 0.00 0.41 1.56 0.00 0.00 0.00 178.15 179.24 3h3f h GLN 326 N -0.76 0.68 -0.08 2.37 4.20 -0.98 0.28 115.11 120.83 3h3f h GLN 326 Ca -0.06 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.55 3h3f h GLN 326 Cb 0.62 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 3h3f h GLN 326 CO 0.06 0.45 -0.22 1.57 -0.67 0.00 0.00 178.83 180.02 3h3f h LYS 327 N 0.71 0.12 -0.51 1.46 2.10 -1.10 -2.87 116.57 116.47 3h3f h LYS 327 Ca 0.35 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.97 3h3f h LYS 327 Cb 0.30 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 3h3f h LYS 327 CO -0.23 0.35 0.00 -1.91 -2.00 0.00 0.00 179.45 175.66 3h3f n GLU 328 N -4.23 1.07 -4.78 0.07 4.07 0.96 -4.85 120.64 112.95 3h3f n GLU 328 Ca -0.01 -0.07 -0.25 0.00 -0.06 0.00 0.00 57.16 56.76 3h3f n GLU 328 Cb 0.31 -1.27 -0.16 0.00 -0.06 0.00 0.00 31.44 30.26 3h3f n GLU 328 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 3h3f s LEU 329 N -0.52 1.88 -0.17 4.31 2.96 -1.08 -5.05 118.68 121.01 3h3f s LEU 329 Ca 0.01 -0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 53.55 3h3f s LEU 329 Cb 0.01 -0.93 -0.02 0.00 0.50 0.00 0.00 46.19 45.75 3h3f s LEU 329 CO 0.01 0.13 -0.04 0.00 -1.32 0.00 0.00 176.35 175.13 3h3f s GLN 330 N 0.11 3.61 0.00 1.98 -2.07 -1.26 -5.02 119.66 117.00 3h3f s GLN 330 Ca -0.05 -0.54 0.19 0.00 -1.82 0.00 0.00 55.36 53.14 3h3f s GLN 330 Cb -0.12 -2.94 0.15 0.00 -1.09 0.00 0.00 33.01 29.01 3h3f s GLN 330 CO 0.02 0.14 1.12 1.19 -1.32 0.00 0.00 175.29 176.44