#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3f n ALA 2 N 0.00 -0.21 0.09 0.00 0.00 -1.26 -4.82 120.51 114.31 3h3f n ALA 2 Ca 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 53.44 53.12 3h3f n ALA 2 Cb 0.00 -2.19 0.26 0.00 0.00 0.00 0.00 19.45 17.52 3h3f n ALA 2 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3h3f h LEU 3 N -0.77 0.28 -1.33 0.00 5.85 -2.02 -1.00 115.31 116.32 3h3f h LEU 3 Ca -0.46 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.09 3h3f h LEU 3 Cb 1.31 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 3h3f h LEU 3 CO 0.46 0.58 -0.31 0.50 -0.34 0.00 0.00 178.44 179.33 3h3f h LYS 4 N 0.24 0.04 0.00 1.25 3.64 -1.94 -2.66 116.57 117.14 3h3f h LYS 4 Ca 0.03 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3h3f h LYS 4 Cb 0.67 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 3h3f h LYS 4 CO 0.05 0.35 -0.04 -0.44 -2.27 0.00 0.00 179.45 177.10 3h3f h ASP 5 N 0.03 0.00 0.29 4.20 3.45 -1.39 0.56 116.42 123.56 3h3f h ASP 5 Ca 0.00 -0.00 -0.34 0.00 0.43 0.00 0.00 57.03 57.12 3h3f h ASP 5 Cb 0.57 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.35 3h3f h ASP 5 CO 0.04 0.00 -1.64 1.56 -1.57 0.00 0.00 179.24 177.63 3h3f h GLN 6 N 0.00 0.37 0.29 3.56 4.20 -1.30 -3.38 115.11 118.85 3h3f h GLN 6 Ca 0.00 -0.64 -0.01 0.00 0.06 0.00 0.00 58.65 58.06 3h3f h GLN 6 Cb 0.93 0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.95 3h3f h GLN 6 CO 0.00 1.28 -0.14 1.25 -0.67 0.00 0.00 178.83 180.55 3h3f h LEU 7 N 0.10 -0.33 -9.66 1.46 7.12 -1.42 -3.45 115.31 109.14 3h3f h LEU 7 Ca -0.30 0.01 -0.63 0.00 0.13 0.00 0.00 57.88 57.09 3h3f h LEU 7 Cb 2.09 0.08 -0.09 0.00 -0.53 0.00 0.00 40.66 42.21 3h3f h LEU 7 CO 0.19 -0.22 -0.59 -0.63 -0.13 0.00 0.00 178.44 177.06 3h3f s ILE 8 N -3.67 4.56 -0.26 4.05 1.01 0.20 -5.07 121.20 122.02 3h3f s ILE 8 Ca -0.06 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.84 3h3f s ILE 8 Cb 0.01 -3.21 0.05 0.00 0.01 0.00 0.00 42.46 39.32 3h3f s ILE 8 CO 0.17 0.11 -0.10 -2.28 0.00 0.00 0.00 174.94 172.84 3h3f s HIS 9 N -1.42 3.21 0.26 3.97 5.65 -1.26 -4.38 115.29 121.32 3h3f s HIS 9 Ca 0.30 -2.15 -0.30 0.00 0.25 0.00 0.00 55.06 53.16 3h3f s HIS 9 Cb -0.12 -1.96 -0.09 0.00 -1.18 0.00 0.00 32.58 29.23 3h3f s HIS 9 CO 0.22 -0.85 0.99 1.21 -0.65 0.00 0.00 174.74 175.66 3h3f s ASN 10 N 1.15 7.50 0.00 9.88 3.84 -1.26 -4.94 114.94 131.11 3h3f s ASN 10 Ca -0.07 2.05 0.00 0.00 0.21 0.00 0.00 52.86 55.06 3h3f s ASN 10 Cb -0.19 -2.61 0.00 0.00 -0.55 0.00 0.00 41.25 37.89 3h3f s ASN 10 CO -0.05 0.04 0.00 0.18 -2.79 0.00 0.00 177.10 174.48 3h3f n LEU 11 N 1.34 0.00 -4.03 3.21 4.77 -1.26 -5.06 117.00 115.97 3h3f n LEU 11 Ca -0.01 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.79 3h3f n LEU 11 Cb 0.46 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.41 3h3f n LEU 11 CO 0.51 0.00 -0.42 -0.22 -1.33 0.00 0.00 177.39 175.93 3h3f s LEU 12 N -2.40 2.07 -0.78 2.23 1.98 -1.26 -5.10 118.68 115.42 3h3f s LEU 12 Ca 0.00 -0.24 -0.21 0.00 -2.89 0.00 0.00 54.13 50.78 3h3f s LEU 12 Cb 0.00 -0.38 0.09 0.00 0.66 0.00 0.00 46.19 46.56 3h3f s LEU 12 CO 0.00 0.04 1.07 -0.75 -1.89 0.00 0.00 176.35 174.82 3h3f s LYS 13 N -0.52 3.31 -0.50 1.98 2.36 -1.26 -4.96 119.74 120.15 3h3f s LYS 13 Ca 0.01 -1.14 -0.30 0.00 -2.55 0.00 0.00 55.97 51.98 3h3f s LYS 13 Cb -0.05 -4.55 -0.11 0.00 -1.05 0.00 0.00 37.83 32.08 3h3f s LYS 13 CO 0.00 -1.85 2.37 -0.85 1.55 0.00 0.00 175.35 176.58 3h3f n GLU 14 N 7.48 0.99 -3.47 4.03 -0.00 -1.26 -4.90 120.64 123.51 3h3f n GLU 14 Ca 0.09 0.16 -0.43 0.00 -0.00 0.00 0.00 57.16 56.97 3h3f n GLU 14 Cb 0.47 -2.78 -0.07 0.00 -0.00 0.00 0.00 31.44 29.06 3h3f n GLU 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 3h3f s GLU 15 N 7.53 2.68 -0.58 3.44 4.04 -1.26 -5.06 118.70 129.49 3h3f s GLU 15 Ca 1.09 -1.70 -0.22 0.00 0.04 0.00 0.00 54.97 54.18 3h3f s GLU 15 Cb -0.60 -4.05 0.06 0.00 0.02 0.00 0.00 34.13 29.57 3h3f s GLU 15 CO 0.38 -1.21 0.83 -1.58 -1.84 0.00 0.00 175.26 171.84 3h3f s HIS 16 N 1.46 2.85 -0.15 4.83 2.46 -1.26 -4.99 115.29 120.49 3h3f s HIS 16 Ca 0.05 -0.46 -0.02 0.00 0.47 0.00 0.00 55.06 55.10 3h3f s HIS 16 Cb -0.27 -3.99 -0.02 0.00 -0.13 0.00 0.00 32.58 28.17 3h3f s HIS 16 CO 0.01 -1.35 -0.08 0.54 -2.47 0.00 0.00 174.74 171.38 3h3f s VAL 17 N 3.46 3.43 0.35 0.89 0.11 -1.26 -5.12 120.40 122.25 3h3f s VAL 17 Ca 0.21 -0.52 -0.11 0.00 -2.93 0.00 0.00 61.98 58.63 3h3f s VAL 17 Cb -0.17 -2.48 -0.07 0.00 -1.53 0.00 0.00 36.38 32.13 3h3f s VAL 17 CO 0.13 0.50 0.71 -2.16 -3.33 0.00 0.00 175.10 170.95 3h3f s PRO 18 N 0.47 3.84 -0.26 1.54 0.04 -1.26 -5.01 135.00 134.37 3h3f s PRO 18 Ca -0.06 0.47 -0.14 0.00 0.04 0.00 0.00 61.00 61.31 3h3f s PRO 18 Cb -0.15 -2.46 -0.11 0.00 0.04 0.00 0.00 34.50 31.82 3h3f s PRO 18 CO 0.04 0.09 -0.34 1.04 0.04 0.00 0.00 177.00 177.87 3h3f n GLN 19 N -0.82 0.56 -3.71 4.56 1.13 -1.26 -4.68 117.38 113.16 3h3f n GLN 19 Ca 0.02 0.24 -0.30 0.00 -1.94 0.00 0.00 57.00 55.03 3h3f n GLN 19 Cb 0.53 -1.44 -0.10 0.00 0.11 0.00 0.00 30.24 29.35 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 -4.21 3.56 -4.81 1.08 3.02 -1.26 -4.88 115.26 107.75 3h3f n ASN 20 Ca -0.48 -3.26 -0.38 0.00 -0.03 0.00 0.00 54.58 50.42 3h3f n ASN 20 Cb 0.83 -0.81 -0.06 0.00 -0.61 0.00 0.00 39.78 39.13 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 -1.74 4.09 -0.01 3.52 2.20 -1.26 -1.57 119.74 124.97 3h3f s LYS 21 Ca 0.29 0.58 0.07 0.00 -0.36 0.00 0.00 55.97 56.55 3h3f s LYS 21 Cb 0.00 -3.25 -0.02 0.00 -1.51 0.00 0.00 37.83 33.05 3h3f s LYS 21 CO -0.12 0.62 -0.23 0.42 -0.36 0.00 0.00 175.35 175.68 3h3f s ILE 22 N -0.93 2.31 -0.09 5.43 1.01 -0.32 -0.69 121.20 127.90 3h3f s ILE 22 Ca 0.27 -1.09 0.02 0.00 0.00 0.00 0.00 60.65 59.84 3h3f s ILE 22 Cb -0.18 -1.85 -0.02 0.00 0.01 0.00 0.00 42.46 40.42 3h3f s ILE 22 CO 0.16 0.53 -0.16 -0.89 0.00 0.00 0.00 174.94 174.58 3h3f s THR 23 N -0.69 2.86 -0.24 2.92 2.01 -0.71 0.07 115.64 121.86 3h3f s THR 23 Ca 0.11 -0.76 -0.04 0.00 0.31 0.00 0.00 61.69 61.31 3h3f s THR 23 Cb -0.10 -2.15 -0.00 0.00 0.01 0.00 0.00 72.50 70.26 3h3f s THR 23 CO 0.00 0.55 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.78 3h3f s VAL 24 N -0.07 3.48 -0.28 3.82 1.01 0.23 0.27 120.40 128.85 3h3f s VAL 24 Ca -0.03 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 3h3f s VAL 24 Cb -0.14 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 3h3f s VAL 24 CO 0.04 0.31 0.62 -0.69 0.00 0.00 0.00 175.10 175.38 3h3f s VAL 25 N 1.47 4.97 0.00 2.92 1.01 0.20 -1.70 120.40 129.26 3h3f s VAL 25 Ca 0.04 0.96 0.00 0.00 0.00 0.00 0.00 61.98 62.98 3h3f s VAL 25 Cb -0.15 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.27 3h3f s VAL 25 CO -0.02 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.64 3h3f n GLY 26 N 4.32 -0.84 2.64 4.51 0.00 0.41 -0.72 105.19 115.51 3h3f n GLY 26 Ca -0.01 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 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 1.67 2.89 -0.46 1.61 0.24 -1.26 -4.10 118.33 118.93 3h3f n VAL 27 Ca 0.00 -4.96 0.00 0.00 -2.04 0.00 0.00 64.34 57.34 3h3f n VAL 27 Cb 0.00 -1.30 0.00 0.00 -1.47 0.00 0.00 33.84 31.07 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 -0.44 0.41 0.36 7.63 0.00 -1.26 -4.58 105.19 107.31 3h3f n GLY 28 Ca 0.41 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.72 -0.57 0.08 4.61 0.00 -1.94 -1.44 119.26 118.27 3h3f h ALA 29 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3h3f h ALA 29 Cb 0.00 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3h3f h ALA 29 CO 0.00 -0.89 -0.04 0.28 0.00 0.00 0.00 179.25 178.61 3h3f h VAL 30 N -0.55 0.99 -0.90 0.00 2.07 -1.88 -2.76 116.25 113.22 3h3f h VAL 30 Ca 0.04 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.32 3h3f h VAL 30 Cb 0.60 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 3h3f h VAL 30 CO -0.23 0.06 0.59 1.23 0.02 0.00 0.00 177.57 179.24 3h3f h GLY 31 N -0.21 1.28 2.00 2.17 0.00 -1.66 -1.32 103.07 105.32 3h3f h GLY 31 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3h3f h GLY 31 CO 0.02 0.47 0.00 -0.33 0.00 0.00 0.00 176.54 176.70 3h3f h MET 32 N 1.23 0.00 0.00 4.80 0.00 -1.19 -1.30 114.93 118.46 3h3f h MET 32 Ca 0.33 0.00 -0.21 0.00 0.00 0.00 0.00 59.70 59.83 3h3f h MET 32 Cb -0.13 0.00 -0.03 0.00 0.00 0.00 0.00 31.60 31.44 3h3f h MET 32 CO -0.07 0.00 -1.15 0.00 0.00 0.00 0.00 176.91 175.69 3h3f h ALA 33 N 2.07 0.56 0.11 6.32 0.00 -0.98 -1.60 119.26 125.73 3h3f h ALA 33 Ca 0.00 -0.96 -0.01 0.00 0.00 0.00 0.00 54.91 53.95 3h3f h ALA 33 Cb 0.78 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3h3f h ALA 33 CO 0.00 1.17 -0.05 0.00 0.00 0.00 0.00 179.25 180.37 3h3f h ALA 35 N 0.14 0.38 0.00 0.00 0.00 -1.31 -0.35 119.26 118.13 3h3f h ALA 35 Ca -0.01 0.23 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 3h3f h ALA 35 Cb 0.51 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3h3f h ALA 35 CO 0.02 -0.44 -0.42 0.97 0.00 0.00 0.00 179.25 179.39 3h3f h ILE 36 N -0.01 1.20 -0.02 0.00 6.09 -1.35 -1.98 117.51 121.44 3h3f h ILE 36 Ca 0.28 -1.49 -0.01 0.00 -1.37 0.00 0.00 64.86 62.27 3h3f h ILE 36 Cb 0.44 1.83 0.00 0.00 0.47 0.00 0.00 36.82 39.55 3h3f h ILE 36 CO -0.61 0.41 -0.03 0.28 -3.07 0.00 0.00 178.15 175.13 3h3f h SER 37 N 0.00 0.05 -0.36 2.19 0.02 -1.00 -1.66 113.55 112.80 3h3f h SER 37 Ca -0.00 -0.57 -0.03 0.00 -0.84 0.00 0.00 61.79 60.34 3h3f h SER 37 Cb 0.79 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 3h3f h SER 37 CO 0.05 0.61 0.13 0.40 -1.14 0.00 0.00 176.83 176.89 3h3f h ILE 38 N -0.51 1.18 -0.21 3.27 2.04 -1.12 -1.44 117.51 120.72 3h3f h ILE 38 Ca 0.00 -0.60 -0.11 0.00 1.00 0.00 0.00 64.86 65.16 3h3f h ILE 38 Cb 0.60 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 3h3f h ILE 38 CO 0.01 0.22 -0.33 -0.07 0.00 0.00 0.00 178.15 177.98 3h3f h LEU 39 N 0.60 0.45 0.00 1.44 3.38 -1.27 -2.81 115.31 117.11 3h3f h LEU 39 Ca 0.14 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3h3f h LEU 39 Cb 0.18 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3h3f h LEU 39 CO -0.01 0.76 -0.05 0.24 0.09 0.00 0.00 178.44 179.47 3h3f h MET 40 N 0.38 0.00 -0.08 1.13 2.86 -0.59 -2.88 114.93 115.76 3h3f h MET 40 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3h3f h MET 40 Cb 0.77 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.43 3h3f h MET 40 CO 0.06 0.01 0.00 1.63 1.06 0.00 0.00 176.91 179.67 3h3f n LYS 41 N -3.08 1.81 -3.92 1.72 5.02 -0.61 -4.98 118.16 114.12 3h3f n LYS 41 Ca 0.04 -1.19 -0.26 0.00 -2.02 0.00 0.00 58.31 54.88 3h3f n LYS 41 Cb 0.53 -1.46 -0.01 0.00 -0.02 0.00 0.00 35.03 34.08 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 0.43 -0.90 -0.15 4.39 8.00 -1.08 -4.90 116.55 122.33 3h3f n ASP 42 Ca 0.18 -1.01 0.12 0.00 0.71 0.00 0.00 54.79 54.79 3h3f n ASP 42 Cb 0.39 -3.10 0.20 0.00 -0.02 0.00 0.00 41.12 38.60 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 -4.38 0.97 -4.18 0.64 4.77 -1.13 -4.94 117.00 108.74 3h3f n LEU 43 Ca -0.29 -0.27 -0.14 0.00 -0.03 0.00 0.00 56.01 55.28 3h3f n LEU 43 Cb 0.67 -0.13 -0.11 0.00 -2.33 0.00 0.00 43.42 41.52 3h3f n LEU 43 CO 0.74 0.20 -0.42 0.00 -1.33 0.00 0.00 177.39 176.58 3h3f s ALA 44 N -2.75 1.11 -0.66 -1.18 0.00 -1.26 -4.95 121.76 112.06 3h3f s ALA 44 Ca 0.16 -1.18 0.22 0.00 0.00 0.00 0.00 51.96 51.16 3h3f s ALA 44 Cb 0.18 0.03 -0.16 0.00 0.00 0.00 0.00 23.12 23.16 3h3f s ALA 44 CO 0.64 -0.03 0.84 -0.40 0.00 0.00 0.00 175.76 176.81 3h3f n ASP 45 N 0.58 0.63 -3.78 0.00 5.75 -0.61 -4.69 116.55 114.43 3h3f n ASP 45 Ca -0.16 -0.52 -0.13 0.00 -0.01 0.00 0.00 54.79 53.97 3h3f n ASP 45 Cb 0.58 1.18 -0.13 0.00 -1.03 0.00 0.00 41.12 41.72 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 -3.18 0.18 -0.19 0.11 2.12 -1.25 -3.69 118.70 112.80 3h3f s GLU 46 Ca 0.03 0.34 -0.01 0.00 0.36 0.00 0.00 54.97 55.69 3h3f s GLU 46 Cb 0.15 -0.02 0.01 0.00 0.26 0.00 0.00 34.13 34.53 3h3f s GLU 46 CO 0.86 -0.09 -0.14 -1.17 -0.54 0.00 0.00 175.26 174.18 3h3f s LEU 47 N 0.62 2.46 -0.08 2.70 2.96 -0.60 -1.18 118.68 125.57 3h3f s LEU 47 Ca -0.04 -0.52 -0.05 0.00 -0.22 0.00 0.00 54.13 53.29 3h3f s LEU 47 Cb -0.06 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 3h3f s LEU 47 CO -0.03 0.01 0.15 0.00 -1.32 0.00 0.00 176.35 175.16 3h3f s ALA 48 N 1.26 3.88 -0.05 5.97 0.00 0.11 -0.91 121.76 132.02 3h3f s ALA 48 Ca 0.03 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.35 3h3f s ALA 48 Cb -0.14 -1.91 -0.01 0.00 0.00 0.00 0.00 23.12 21.06 3h3f s ALA 48 CO -0.07 0.67 -0.20 -0.51 0.00 0.00 0.00 175.76 175.65 3h3f s LEU 49 N -1.38 1.97 0.07 0.00 1.43 0.86 -0.60 118.68 121.03 3h3f s LEU 49 Ca 0.20 -0.40 0.07 0.00 -1.03 0.00 0.00 54.13 52.96 3h3f s LEU 49 Cb -0.12 -1.10 -0.03 0.00 0.03 0.00 0.00 46.19 44.96 3h3f s LEU 49 CO 0.10 0.19 -0.18 0.54 0.23 0.00 0.00 176.35 177.22 3h3f s VAL 50 N -0.06 1.46 0.24 -1.59 0.11 -0.69 -1.74 120.40 118.13 3h3f s VAL 50 Ca -0.03 -1.29 -0.22 0.00 -2.93 0.00 0.00 61.98 57.52 3h3f s VAL 50 Cb -0.12 -1.32 0.03 0.00 -1.53 0.00 0.00 36.38 33.45 3h3f s VAL 50 CO 0.02 -0.00 0.73 -0.62 -3.33 0.00 0.00 175.10 171.90 3h3f s ASP 51 N -1.51 -0.30 0.00 3.54 -1.08 -1.26 0.15 116.67 116.21 3h3f s ASP 51 Ca 0.04 -0.49 0.22 0.00 -0.52 0.00 0.00 52.55 51.80 3h3f s ASP 51 Cb -0.09 0.68 -0.15 0.00 -1.46 0.00 0.00 42.92 41.90 3h3f s ASP 51 CO 0.03 -1.24 0.89 1.33 0.52 0.00 0.00 175.17 176.70 3h3f n VAL 52 N -0.44 0.02 -2.79 1.11 0.24 -1.26 -4.19 118.33 111.02 3h3f n VAL 52 Ca -0.06 -0.12 -0.43 0.00 -2.04 0.00 0.00 64.34 61.69 3h3f n VAL 52 Cb 0.60 0.66 -0.03 0.00 -1.47 0.00 0.00 33.84 33.60 3h3f n VAL 52 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3h3f s MET 53 N -3.11 3.32 0.47 7.34 -1.94 -1.26 -4.89 119.30 119.23 3h3f s MET 53 Ca 0.05 -1.04 0.20 0.00 -1.71 0.00 0.00 55.69 53.20 3h3f s MET 53 Cb 0.16 -4.57 1.19 0.00 2.01 0.00 0.00 34.83 33.61 3h3f s MET 53 CO 0.85 -1.91 2.01 0.93 -0.01 0.00 0.00 175.02 176.90 3h3f h GLU 54 N 9.47 0.00 0.10 2.03 5.08 -2.00 -2.07 114.58 127.19 3h3f h GLU 54 Ca -0.10 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.13 3h3f h GLU 54 Cb 1.05 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.31 3h3f h GLU 54 CO 1.21 0.17 -0.61 -0.44 -1.00 0.00 0.00 179.01 178.35 3h3f h ASP 55 N 0.00 0.32 -0.19 1.42 3.45 -1.99 -2.65 116.42 116.78 3h3f h ASP 55 Ca -0.00 -0.96 0.05 0.00 0.43 0.00 0.00 57.03 56.55 3h3f h ASP 55 Cb 0.36 -0.10 -0.06 0.00 -0.56 0.00 0.00 39.33 38.97 3h3f h ASP 55 CO 0.02 1.29 -0.18 0.50 -1.57 0.00 0.00 179.24 179.30 3h3f h LYS 56 N -0.57 -0.19 -0.68 3.56 3.64 -1.91 -2.15 116.57 118.28 3h3f h LYS 56 Ca -0.11 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.41 3h3f h LYS 56 Cb 1.45 0.04 -0.13 0.00 -0.41 0.00 0.00 32.23 33.19 3h3f h LYS 56 CO 0.10 -0.13 -0.24 1.25 -2.27 0.00 0.00 179.45 178.16 3h3f h LEU 57 N -0.19 -0.86 -1.06 5.20 5.85 -1.45 -0.98 115.31 121.81 3h3f h LEU 57 Ca 0.12 0.22 -0.05 0.00 0.84 0.00 0.00 57.88 59.01 3h3f h LEU 57 Cb 0.37 0.50 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 3h3f h LEU 57 CO -0.30 -0.26 -0.24 0.50 -0.34 0.00 0.00 178.44 177.80 3h3f h LYS 58 N -0.06 0.00 0.02 1.25 3.64 -1.04 -2.37 116.57 118.01 3h3f h LYS 58 Ca 0.30 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.41 3h3f h LYS 58 Cb 0.54 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.32 3h3f h LYS 58 CO -0.72 0.24 -1.48 0.78 -2.27 0.00 0.00 179.45 175.99 3h3f h GLY 59 N 2.13 0.04 2.00 5.01 0.00 -0.60 -2.33 103.07 109.32 3h3f h GLY 59 Ca -0.00 -0.10 -0.17 0.00 0.00 0.00 0.00 47.33 47.05 3h3f h GLY 59 CO 0.03 0.09 -0.83 0.83 0.00 0.00 0.00 176.54 176.66 3h3f h GLU 60 N 0.01 0.00 -0.16 4.80 4.39 -1.30 -0.40 114.58 121.92 3h3f h GLU 60 Ca -0.20 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.31 3h3f h GLU 60 Cb 1.94 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.59 3h3f h GLU 60 CO 0.10 0.83 -0.68 1.98 -1.16 0.00 0.00 179.01 180.09 3h3f h MET 61 N 0.00 0.63 0.06 2.33 4.05 -1.42 -1.37 114.93 119.20 3h3f h MET 61 Ca -0.01 -0.47 -0.24 0.00 -0.28 0.00 0.00 59.70 58.71 3h3f h MET 61 Cb 1.54 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 32.42 3h3f h MET 61 CO 0.11 1.09 -1.09 0.52 0.23 0.00 0.00 176.91 177.77 3h3f h MET 62 N 0.45 0.17 0.04 0.39 2.86 -1.31 -1.70 114.93 115.83 3h3f h MET 62 Ca -0.02 -0.26 -0.00 0.00 -2.06 0.00 0.00 59.70 57.36 3h3f h MET 62 Cb 1.27 0.09 0.00 0.00 0.06 0.00 0.00 31.60 33.02 3h3f h MET 62 CO 0.13 1.09 -0.02 0.22 1.06 0.00 0.00 176.91 179.39 3h3f h ASP 63 N 0.06 -0.05 -0.05 1.22 -0.00 -1.10 -1.80 116.42 114.70 3h3f h ASP 63 Ca -0.07 -0.12 0.04 0.00 -0.00 0.00 0.00 57.03 56.87 3h3f h ASP 63 Cb 1.81 0.01 -0.06 0.00 -0.00 0.00 0.00 39.33 41.10 3h3f h ASP 63 CO 0.17 0.09 -0.34 -0.07 -0.00 0.00 0.00 179.24 179.08 3h3f h LEU 64 N -0.19 -1.04 -1.29 2.28 3.38 -1.15 -3.00 115.31 114.29 3h3f h LEU 64 Ca -0.01 0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.15 3h3f h LEU 64 Cb 0.17 0.42 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 3h3f h LEU 64 CO 0.01 -0.39 0.51 1.56 0.09 0.00 0.00 178.44 180.21 3h3f h GLN 65 N -0.47 0.87 -0.19 1.13 4.20 -1.29 -0.67 115.11 118.69 3h3f h GLN 65 Ca 0.07 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.78 3h3f h GLN 65 Cb 0.58 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 3h3f h GLN 65 CO -0.31 0.58 0.24 0.45 -0.67 0.00 0.00 178.83 179.12 3h3f h HIS 66 N 0.90 0.00 -0.55 2.96 3.86 -1.18 0.14 115.15 121.28 3h3f h HIS 66 Ca 0.32 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.53 3h3f h HIS 66 Cb 0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 3h3f h HIS 66 CO -0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 3h3f n GLY 67 N -1.38 1.83 0.37 2.45 0.00 -0.26 -4.53 105.19 103.67 3h3f n GLY 67 Ca 0.02 -0.63 0.13 0.00 0.00 0.00 0.00 46.02 45.54 3h3f n GLY 67 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3h3f h SER 68 N 3.28 0.66 0.00 1.61 0.87 -0.76 -1.00 113.55 118.21 3h3f h SER 68 Ca 0.00 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3h3f h SER 68 Cb 0.91 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 3h3f h SER 68 CO 0.06 0.30 0.09 0.25 -0.53 0.00 0.00 176.83 177.01 3h3f h LEU 69 N 0.68 0.00 -0.78 2.23 5.85 -1.81 -2.51 115.31 118.97 3h3f h LEU 69 Ca 0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.21 3h3f h LEU 69 Cb 0.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.86 3h3f h LEU 69 CO -0.25 0.00 -0.27 0.49 -0.34 0.00 0.00 178.44 178.07 3h3f n PHE 70 N -2.95 0.00 -3.92 1.25 3.01 -0.38 -4.97 117.46 109.50 3h3f n PHE 70 Ca -0.03 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.19 3h3f n PHE 70 Cb 0.15 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.58 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 -1.82 3.04 -0.33 4.37 1.43 -0.95 -5.07 118.68 119.36 3h3f s LEU 71 Ca 0.10 -1.06 0.07 0.00 -1.03 0.00 0.00 54.13 52.22 3h3f s LEU 71 Cb 0.10 -1.51 0.45 0.00 0.03 0.00 0.00 46.19 45.27 3h3f s LEU 71 CO 0.32 -0.75 1.16 0.54 0.23 0.00 0.00 176.35 177.85 3h3f n ARG 72 N -1.48 3.44 -3.99 1.70 5.12 -1.26 -4.93 116.66 115.26 3h3f n ARG 72 Ca -0.01 -4.20 -0.31 0.00 -1.93 0.00 0.00 57.85 51.40 3h3f n ARG 72 Cb 0.64 -2.22 -0.15 0.00 -1.16 0.00 0.00 32.46 29.57 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 -4.76 2.43 -1.28 0.55 2.01 -1.26 -4.91 115.64 108.41 3h3f s THR 73 Ca 0.49 -2.46 0.16 0.00 0.31 0.00 0.00 61.69 60.19 3h3f s THR 73 Cb 0.40 -2.76 0.23 0.00 0.01 0.00 0.00 72.50 70.38 3h3f s THR 73 CO -0.02 -0.64 1.48 -0.81 -0.69 0.00 0.00 174.62 173.94 3h3f n PRO 74 N 4.12 0.15 -3.59 4.92 -0.04 -1.25 -4.62 135.00 134.70 3h3f n PRO 74 Ca 0.04 0.17 -0.10 0.00 -0.04 0.00 0.00 63.50 63.57 3h3f n PRO 74 Cb 0.41 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.27 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 -2.72 0.29 -0.14 0.54 2.47 -1.24 -5.08 119.74 113.86 3h3f s LYS 75 Ca 0.13 0.87 0.01 0.00 -1.56 0.00 0.00 55.97 55.41 3h3f s LYS 75 Cb 0.11 0.08 0.02 0.00 -1.46 0.00 0.00 37.83 36.58 3h3f s LYS 75 CO 0.26 -0.34 -0.14 0.42 0.16 0.00 0.00 175.35 175.70 3h3f s ILE 76 N 2.56 1.56 0.25 5.43 1.01 -1.26 -1.56 121.20 129.20 3h3f s ILE 76 Ca 0.02 -0.64 0.05 0.00 0.00 0.00 0.00 60.65 60.08 3h3f s ILE 76 Cb -0.13 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 40.83 3h3f s ILE 76 CO -0.13 0.46 -0.04 0.68 0.00 0.00 0.00 174.94 175.92 3h3f s VAL 77 N 1.39 1.36 0.00 2.92 -7.23 -0.09 -4.99 120.40 113.77 3h3f s VAL 77 Ca 0.03 -2.08 -0.29 0.00 -1.81 0.00 0.00 61.98 57.83 3h3f s VAL 77 Cb -0.13 -2.38 0.07 0.00 0.56 0.00 0.00 36.38 34.49 3h3f s VAL 77 CO -0.09 -0.33 0.66 -0.94 -0.31 0.00 0.00 175.10 174.10 3h3f s SER 78 N -3.37 -0.63 0.00 4.85 1.04 -1.26 -0.10 113.70 114.22 3h3f s SER 78 Ca 0.29 0.53 0.00 0.00 0.48 0.00 0.00 55.95 57.24 3h3f s SER 78 Cb 0.05 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.72 3h3f s SER 78 CO 0.10 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.23 3h3f n GLY 79 N 0.57 0.62 0.00 7.32 0.00 -0.71 -4.92 105.19 108.08 3h3f n GLY 79 Ca -0.18 -0.72 0.12 0.00 0.00 0.00 0.00 46.02 45.24 3h3f n GLY 79 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3h3f n LYS 80 N -0.05 0.01 -2.90 1.61 2.85 -1.26 -4.13 118.16 114.28 3h3f n LYS 80 Ca 0.00 -0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.84 3h3f n LYS 80 Cb 0.00 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 32.84 3h3f n LYS 80 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3h3f s ASP 81 N -3.00 6.70 0.00 -5.58 3.68 -1.26 -4.92 116.67 112.29 3h3f s ASP 81 Ca 0.11 0.70 0.04 0.00 2.13 0.00 0.00 52.55 55.53 3h3f s ASP 81 Cb 0.18 -2.43 0.21 0.00 -1.45 0.00 0.00 42.92 39.43 3h3f s ASP 81 CO 0.68 -0.66 0.56 -1.22 0.13 0.00 0.00 175.17 174.66 3h3f n TYR 82 N 6.31 0.00 0.61 -5.34 4.01 -1.26 -2.20 117.16 119.29 3h3f n TYR 82 Ca 0.05 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.92 3h3f n TYR 82 Cb 0.48 0.00 0.42 0.00 -0.31 0.00 0.00 39.34 39.93 3h3f n TYR 82 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3h3f n SER 83 N -0.78 0.77 0.15 7.72 3.41 -1.26 -1.32 113.62 122.30 3h3f n SER 83 Ca 0.03 0.58 0.12 0.00 -0.26 0.00 0.00 58.87 59.34 3h3f n SER 83 Cb 0.01 -0.79 0.53 0.00 -0.26 0.00 0.00 64.21 63.70 3h3f n SER 83 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 3h3f h VAL 84 N 0.00 0.00 -0.00 -3.33 -1.51 -1.80 -3.02 116.25 106.58 3h3f h VAL 84 Ca 0.00 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.25 3h3f h VAL 84 Cb 0.68 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 30.79 3h3f h VAL 84 CO 0.00 0.00 -0.16 0.41 -1.23 0.00 0.00 177.57 176.59 3h3f n THR 85 N -2.31 0.00 -1.66 7.19 -1.04 -0.44 -4.84 114.28 111.18 3h3f n THR 85 Ca 0.01 -0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.57 3h3f n THR 85 Cb 0.21 -0.26 -0.03 0.00 -1.82 0.00 0.00 70.33 68.43 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 -1.50 0.86 -2.75 2.41 0.00 -1.15 -3.20 120.51 115.18 3h3f n ALA 86 Ca 0.07 0.43 -0.08 0.00 0.00 0.00 0.00 53.44 53.85 3h3f n ALA 86 Cb 0.34 -2.25 0.02 0.00 0.00 0.00 0.00 19.45 17.56 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 2.33 -3.34 -4.85 0.00 5.03 -0.70 -4.96 115.26 108.77 3h3f n ASN 87 Ca 0.13 -0.15 -0.32 0.00 0.87 0.00 0.00 54.58 55.11 3h3f n ASN 87 Cb 0.30 -2.00 -0.06 0.00 -1.02 0.00 0.00 39.78 37.00 3h3f n ASN 87 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3h3f s SER 88 N -3.04 6.72 -0.02 6.41 0.01 -1.19 -4.60 113.70 117.98 3h3f s SER 88 Ca 0.17 1.24 -0.15 0.00 1.31 0.00 0.00 55.95 58.51 3h3f s SER 88 Cb -0.07 -2.36 -0.33 0.00 0.21 0.00 0.00 66.02 63.47 3h3f s SER 88 CO 0.21 -0.24 0.83 0.11 0.41 0.00 0.00 173.24 174.56 3h3f h LYS 89 N 2.08 0.43 -4.67 12.44 6.56 -1.25 -3.37 116.57 128.80 3h3f h LYS 89 Ca -0.48 -0.74 -0.52 0.00 -1.06 0.00 0.00 60.65 57.86 3h3f h LYS 89 Cb 1.18 0.27 -0.33 0.00 -0.57 0.00 0.00 32.23 32.78 3h3f h LYS 89 CO 0.65 1.35 -0.82 -1.17 -2.06 0.00 0.00 179.45 177.41 3h3f s LEU 90 N -7.55 1.70 -0.12 2.94 2.96 -1.22 -1.33 118.68 116.07 3h3f s LEU 90 Ca -0.13 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 3h3f s LEU 90 Cb 0.04 -0.84 -0.01 0.00 0.50 0.00 0.00 46.19 45.87 3h3f s LEU 90 CO 0.88 0.05 -0.17 -0.69 -1.32 0.00 0.00 176.35 175.11 3h3f s VAL 91 N 0.54 2.73 -0.22 1.68 1.01 -0.50 -1.73 120.40 123.91 3h3f s VAL 91 Ca -0.13 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 3h3f s VAL 91 Cb -0.15 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.12 3h3f s VAL 91 CO 0.04 0.54 -0.07 -0.63 0.00 0.00 0.00 175.10 174.98 3h3f s ILE 92 N 0.31 3.09 -0.43 2.22 1.01 0.14 -1.37 121.20 126.18 3h3f s ILE 92 Ca -0.13 -0.66 -0.16 0.00 0.00 0.00 0.00 60.65 59.70 3h3f s ILE 92 Cb -0.16 -2.43 0.03 0.00 0.01 0.00 0.00 42.46 39.91 3h3f s ILE 92 CO 0.07 0.39 0.39 -0.63 0.00 0.00 0.00 174.94 175.16 3h3f s ILE 93 N 1.42 5.16 -0.11 2.92 -1.09 -0.34 0.60 121.20 129.76 3h3f s ILE 93 Ca 0.05 -0.60 0.03 0.00 -2.23 0.00 0.00 60.65 57.90 3h3f s ILE 93 Cb -0.15 -4.03 0.07 0.00 -1.58 0.00 0.00 42.46 36.77 3h3f s ILE 93 CO -0.05 -0.44 1.05 0.35 -1.23 0.00 0.00 174.94 174.62 3h3f n THR 94 N 5.31 1.11 -3.14 2.92 -2.24 0.10 -1.23 114.28 117.11 3h3f n THR 94 Ca -0.09 -1.15 -0.33 0.00 -2.27 0.00 0.00 64.05 60.21 3h3f n THR 94 Cb 0.46 0.41 -0.06 0.00 -2.10 0.00 0.00 70.33 69.04 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 -1.23 3.34 0.00 6.98 0.00 -1.11 -4.73 121.76 125.01 3h3f s ALA 95 Ca 0.06 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.07 3h3f s ALA 95 Cb 0.05 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.40 3h3f s ALA 95 CO 0.02 0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.53 3h3f n GLY 96 N -0.24 0.75 3.79 0.00 0.00 -1.26 -4.72 105.19 103.51 3h3f n GLY 96 Ca 0.03 -2.04 -0.34 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.34 2.83 0.31 4.61 0.00 -1.26 -5.04 121.76 121.87 3h3f s ALA 97 Ca 0.00 0.64 0.10 0.00 0.00 0.00 0.00 51.96 52.70 3h3f s ALA 97 Cb 0.00 -3.27 -0.06 0.00 0.00 0.00 0.00 23.12 19.79 3h3f s ALA 97 CO 0.00 -0.41 -0.13 -0.98 0.00 0.00 0.00 175.76 174.24 3h3f s ARG 98 N -3.28 1.71 0.77 0.00 1.70 -1.26 -4.69 118.95 113.90 3h3f s ARG 98 Ca 0.68 -1.84 -0.14 0.00 -0.47 0.00 0.00 55.73 53.96 3h3f s ARG 98 Cb -0.18 -1.62 0.06 0.00 -0.57 0.00 0.00 34.95 32.64 3h3f s ARG 98 CO 0.22 0.19 1.20 1.04 -1.08 0.00 0.00 175.30 176.87 3h3f n GLN 99 N -0.68 0.39 -3.89 3.89 6.02 -1.26 -5.04 117.38 116.80 3h3f n GLN 99 Ca -0.05 0.20 -0.22 0.00 -0.01 0.00 0.00 57.00 56.92 3h3f n GLN 99 Cb 0.62 -2.44 -0.02 0.00 1.02 0.00 0.00 30.24 29.42 3h3f n GLN 99 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3h3f s GLN 100 N -3.91 3.45 -0.22 -1.09 -0.21 -1.26 -4.98 119.66 111.44 3h3f s GLN 100 Ca 0.75 -0.67 -0.27 0.00 0.02 0.00 0.00 55.36 55.19 3h3f s GLN 100 Cb -0.31 -2.88 -0.12 0.00 1.00 0.00 0.00 33.01 30.70 3h3f s GLN 100 CO 0.49 0.41 0.88 0.39 -2.12 0.00 0.00 175.29 175.34 3h3f n GLU 101 N -1.28 0.00 -0.89 2.91 1.02 -1.26 -0.32 120.64 120.82 3h3f n GLU 101 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 3h3f n GLU 101 Cb 0.56 -0.91 0.00 0.00 -0.02 0.00 0.00 31.44 31.08 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 2.00 0.19 3.72 0.62 0.00 -1.26 -5.00 105.19 105.46 3h3f n GLY 102 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3h3f n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3h3f s GLU 103 N -1.21 4.36 0.75 1.61 2.12 0.56 -5.05 118.70 121.85 3h3f s GLU 103 Ca 0.00 0.59 -0.14 0.00 0.36 0.00 0.00 54.97 55.77 3h3f s GLU 103 Cb 0.00 -3.43 0.05 0.00 0.26 0.00 0.00 34.13 31.01 3h3f s GLU 103 CO 0.00 0.15 1.20 0.45 -0.54 0.00 0.00 175.26 176.52 3h3f s SER 104 N 0.61 4.05 0.25 -1.70 0.15 -1.26 -4.59 113.70 111.21 3h3f s SER 104 Ca 0.29 2.34 0.01 0.00 0.70 0.00 0.00 55.95 59.30 3h3f s SER 104 Cb -0.16 -2.59 0.31 0.00 -1.71 0.00 0.00 66.02 61.87 3h3f s SER 104 CO 0.13 -2.36 1.65 0.03 1.20 0.00 0.00 173.24 173.89 3h3f h ARG 105 N -0.47 0.50 -0.89 5.44 3.08 -1.97 -3.13 114.38 116.93 3h3f h ARG 105 Ca -0.47 -0.23 0.13 0.00 0.07 0.00 0.00 59.98 59.48 3h3f h ARG 105 Cb 1.29 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 31.26 3h3f h ARG 105 CO 0.49 0.78 0.58 -0.07 -1.07 0.00 0.00 179.97 180.67 3h3f h LEU 106 N 0.42 0.71 -2.25 3.04 3.38 -1.94 0.04 115.31 118.71 3h3f h LEU 106 Ca 0.05 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.08 3h3f h LEU 106 Cb 0.81 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 3h3f h LEU 106 CO 0.07 0.38 0.25 0.78 0.09 0.00 0.00 178.44 180.00 3h3f h ASN 107 N 0.76 0.00 1.29 -0.43 4.21 -1.94 -2.56 115.58 116.92 3h3f h ASN 107 Ca 0.44 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.95 3h3f h ASN 107 Cb 0.61 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.81 3h3f h ASN 107 CO -0.20 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.12 3h3f n LEU 108 N -3.28 0.49 -0.10 1.61 4.77 -0.00 -4.43 117.00 116.05 3h3f n LEU 108 Ca 0.00 0.55 -0.13 0.00 -0.03 0.00 0.00 56.01 56.39 3h3f n LEU 108 Cb 0.34 -0.39 -0.09 0.00 -2.33 0.00 0.00 43.42 40.94 3h3f n LEU 108 CO 0.20 -0.11 0.50 1.62 -1.33 0.00 0.00 177.39 178.27 3h3f h VAL 109 N 0.00 0.00 -0.13 4.08 3.04 -1.59 -2.93 116.25 118.71 3h3f h VAL 109 Ca 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3h3f h VAL 109 Cb 0.64 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.92 3h3f h VAL 109 CO 0.00 0.00 0.07 -0.61 -1.01 0.00 0.00 177.57 176.02 3h3f h GLN 110 N -0.40 0.19 -0.87 4.17 5.75 -1.85 0.75 115.11 122.84 3h3f h GLN 110 Ca 0.06 -0.02 0.18 0.00 -0.15 0.00 0.00 58.65 58.72 3h3f h GLN 110 Cb 0.57 -0.04 -0.11 0.00 1.07 0.00 0.00 27.48 28.97 3h3f h GLN 110 CO -0.52 0.21 0.42 0.00 -2.65 0.00 0.00 178.83 176.28 3h3f h ARG 111 N 0.12 0.50 0.00 1.69 3.08 -1.82 -1.47 114.38 116.48 3h3f h ARG 111 Ca 0.05 -0.03 -0.27 0.00 0.07 0.00 0.00 59.98 59.79 3h3f h ARG 111 Cb 0.07 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 29.96 3h3f h ARG 111 CO -0.01 0.33 -1.58 -0.91 -1.07 0.00 0.00 179.97 176.73 3h3f h ASN 112 N 0.52 0.00 0.39 7.04 -0.26 -1.20 -2.29 115.58 119.78 3h3f h ASN 112 Ca 0.51 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 56.23 3h3f h ASN 112 Cb 0.85 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.11 3h3f h ASN 112 CO -0.44 0.97 -0.21 0.58 -1.06 0.00 0.00 177.43 177.27 3h3f h VAL 113 N 0.00 0.56 -0.69 2.81 2.07 0.94 0.73 116.25 122.67 3h3f h VAL 113 Ca -0.24 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.44 3h3f h VAL 113 Cb 1.95 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 3h3f h VAL 113 CO 0.08 0.00 0.47 0.78 0.02 0.00 0.00 177.57 178.93 3h3f h ASN 114 N -0.56 0.27 -0.00 0.57 -0.26 -1.34 -0.91 115.58 113.34 3h3f h ASN 114 Ca -0.05 0.01 -0.00 0.00 -0.56 0.00 0.00 56.30 55.71 3h3f h ASN 114 Cb 0.45 -0.04 -0.00 0.00 -1.06 0.00 0.00 38.32 37.67 3h3f h ASN 114 CO 0.07 0.14 -0.00 0.40 -1.06 0.00 0.00 177.43 176.97 3h3f h ILE 115 N 0.29 1.36 -0.27 2.81 2.04 -0.85 -3.16 117.51 119.72 3h3f h ILE 115 Ca 0.34 -1.06 0.08 0.00 1.00 0.00 0.00 64.86 65.22 3h3f h ILE 115 Cb 0.91 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 39.05 3h3f h ILE 115 CO -0.08 0.28 0.24 -0.26 0.00 0.00 0.00 178.15 178.33 3h3f h PHE 116 N -0.44 0.00 0.00 1.37 -1.00 0.17 -0.95 116.94 116.09 3h3f h PHE 116 Ca 0.00 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.74 3h3f h PHE 116 Cb 0.45 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.01 3h3f h PHE 116 CO 0.08 0.00 -0.21 0.87 -1.61 0.00 0.00 178.31 177.44 3h3f h LYS 117 N 0.00 0.00 0.03 1.51 1.57 -1.19 -1.56 116.57 116.93 3h3f h LYS 117 Ca 0.13 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.73 3h3f h LYS 117 Cb 0.61 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 3h3f h LYS 117 CO -0.00 0.21 -0.95 0.35 -0.57 0.00 0.00 179.45 178.48 3h3f h PHE 118 N 0.00 0.10 0.50 -1.35 3.04 -1.28 -3.42 116.94 114.53 3h3f h PHE 118 Ca -0.00 -0.07 -0.02 0.00 3.98 0.00 0.00 57.97 61.85 3h3f h PHE 118 Cb 0.48 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.99 3h3f h PHE 118 CO 0.00 1.37 -0.24 0.82 -2.02 0.00 0.00 178.31 178.24 3h3f h ILE 119 N -0.84 0.51 -0.70 1.41 2.04 -1.29 -3.29 117.51 115.34 3h3f h ILE 119 Ca -0.24 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 65.63 3h3f h ILE 119 Cb 1.32 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.88 3h3f h ILE 119 CO -0.09 0.01 0.40 0.40 0.00 0.00 0.00 178.15 178.86 3h3f h ILE 120 N -0.70 0.98 0.00 -0.67 1.08 -1.54 -0.35 117.51 116.30 3h3f h ILE 120 Ca -0.07 -0.25 -0.03 0.00 -0.39 0.00 0.00 64.86 64.12 3h3f h ILE 120 Cb 0.53 0.18 -0.00 0.00 -3.07 0.00 0.00 36.82 34.46 3h3f h ILE 120 CO 0.11 0.13 -0.16 -0.65 -0.69 0.00 0.00 178.15 176.89 3h3f h PRO 121 N 0.73 0.00 0.02 2.37 0.11 -1.80 0.16 132.00 133.60 3h3f h PRO 121 Ca 0.31 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 66.19 3h3f h PRO 121 Cb 0.19 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.31 3h3f h PRO 121 CO -0.18 0.16 -1.01 -0.91 -0.21 0.00 0.00 178.00 175.86 3h3f h ASN 122 N 0.00 0.57 -0.02 -2.05 2.35 -1.19 -3.14 115.58 112.09 3h3f h ASN 122 Ca -0.00 -0.48 -0.04 0.00 -0.55 0.00 0.00 56.30 55.23 3h3f h ASN 122 Cb 0.35 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.54 3h3f h ASN 122 CO 0.02 1.29 -0.14 -0.37 -1.65 0.00 0.00 177.43 176.58 3h3f h VAL 123 N 0.22 1.50 0.00 2.81 -1.51 -0.76 -3.19 116.25 115.32 3h3f h VAL 123 Ca -0.10 -1.67 0.00 0.00 -1.23 0.00 0.00 66.70 63.70 3h3f h VAL 123 Cb 1.66 2.53 0.00 0.00 -2.13 0.00 0.00 31.29 33.35 3h3f h VAL 123 CO 0.18 0.45 0.00 1.33 -1.23 0.00 0.00 177.57 178.30 3h3f n VAL 124 N -4.62 0.00 -0.09 7.19 0.24 0.54 -1.83 118.33 119.76 3h3f n VAL 124 Ca -0.09 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.09 3h3f n VAL 124 Cb 0.41 -0.69 -0.09 0.00 -1.47 0.00 0.00 33.84 32.00 3h3f n VAL 124 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3h3f n LYS 125 N -0.92 0.71 0.08 7.34 4.81 -1.18 -3.69 118.16 125.31 3h3f n LYS 125 Ca 0.09 0.09 0.12 0.00 -0.87 0.00 0.00 58.31 57.73 3h3f n LYS 125 Cb 0.04 -1.38 0.08 0.00 0.02 0.00 0.00 35.03 33.79 3h3f n LYS 125 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 3h3f h TYR 126 N 0.00 0.00 -2.23 5.64 -1.99 -1.47 -3.39 116.97 113.53 3h3f h TYR 126 Ca -0.42 0.00 -0.59 0.00 2.00 0.00 0.00 58.73 59.72 3h3f h TYR 126 Cb 1.72 0.00 -0.40 0.00 2.00 0.00 0.00 36.73 40.04 3h3f h TYR 126 CO 0.02 0.00 -0.83 0.43 -0.00 0.00 0.00 178.16 177.78 3h3f n SER 127 N -2.36 1.89 0.01 3.88 7.64 -0.76 -1.72 113.62 122.20 3h3f n SER 127 Ca 0.02 -3.03 0.01 0.00 1.01 0.00 0.00 58.87 56.89 3h3f n SER 127 Cb 0.49 -0.66 0.07 0.00 -1.01 0.00 0.00 64.21 63.10 3h3f n SER 127 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3h3f n PRO 128 N 1.37 0.01 -0.03 1.43 -0.05 -1.24 -2.78 135.00 133.71 3h3f n PRO 128 Ca 0.25 0.48 0.06 0.00 -0.05 0.00 0.00 63.50 64.25 3h3f n PRO 128 Cb 0.46 -1.53 0.07 0.00 -0.05 0.00 0.00 33.50 32.45 3h3f n PRO 128 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 3h3f n HIS 129 N -1.55 0.07 -1.55 0.54 8.25 -1.26 -5.04 115.22 114.68 3h3f n HIS 129 Ca 0.00 -0.07 -0.29 0.00 -0.26 0.00 0.00 57.72 57.10 3h3f n HIS 129 Cb 0.02 -0.00 0.13 0.00 1.12 0.00 0.00 29.99 31.26 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 -5.28 3.89 -0.20 0.00 3.01 -0.44 -4.93 119.74 115.79 3h3f s LYS 131 Ca 0.63 0.37 -0.05 0.00 -1.01 0.00 0.00 55.97 55.91 3h3f s LYS 131 Cb -0.15 -2.96 -0.03 0.00 -1.01 0.00 0.00 37.83 33.69 3h3f s LYS 131 CO 0.53 0.51 0.01 -0.51 0.51 0.00 0.00 175.35 176.40 3h3f s LEU 132 N -1.92 3.30 -0.31 3.17 1.43 0.62 -1.41 118.68 123.56 3h3f s LEU 132 Ca 0.36 -0.18 -0.06 0.00 -1.03 0.00 0.00 54.13 53.21 3h3f s LEU 132 Cb -0.15 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.26 3h3f s LEU 132 CO 0.19 0.06 0.08 -0.22 0.23 0.00 0.00 176.35 176.69 3h3f s LEU 133 N 1.00 3.98 -0.07 1.79 0.20 -0.47 0.08 118.68 125.20 3h3f s LEU 133 Ca 0.02 -0.89 -0.14 0.00 0.69 0.00 0.00 54.13 53.81 3h3f s LEU 133 Cb -0.14 -1.86 -0.05 0.00 -0.43 0.00 0.00 46.19 43.71 3h3f s LEU 133 CO 0.02 -0.24 0.35 -0.69 -0.29 0.00 0.00 176.35 175.50 3h3f s VAL 134 N 1.45 5.18 0.00 1.68 1.01 0.16 -1.20 120.40 128.67 3h3f s VAL 134 Ca 0.01 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.68 3h3f s VAL 134 Cb -0.18 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.54 3h3f s VAL 134 CO 0.02 0.52 0.00 0.52 0.00 0.00 0.00 175.10 176.16 3h3f n VAL 135 N 2.42 0.00 -1.43 2.92 0.31 -0.37 -1.21 118.33 120.97 3h3f n VAL 135 Ca -0.14 0.00 -0.48 0.00 -0.01 0.00 0.00 64.34 63.71 3h3f n VAL 135 Cb 0.53 -0.44 -0.03 0.00 -0.91 0.00 0.00 33.84 32.98 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 -2.13 -0.87 -4.86 4.52 7.64 -1.08 -4.53 113.62 112.31 3h3f n SER 136 Ca 0.00 1.14 -0.32 0.00 1.01 0.00 0.00 58.87 60.70 3h3f n SER 136 Cb 0.37 -0.99 -0.06 0.00 -1.01 0.00 0.00 64.21 62.52 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 -0.91 6.72 -0.23 6.43 0.01 -1.26 -3.08 114.94 122.61 3h3f s ASN 137 Ca 0.64 1.16 -0.29 0.00 -0.71 0.00 0.00 52.86 53.66 3h3f s ASN 137 Cb -0.91 -2.32 0.01 0.00 0.41 0.00 0.00 41.25 38.44 3h3f s ASN 137 CO 0.57 -0.17 1.03 -2.16 -1.51 0.00 0.00 177.10 174.85 3h3f s PRO 138 N -2.98 4.26 0.40 -0.60 0.04 -1.25 -4.55 135.00 130.31 3h3f s PRO 138 Ca 0.52 1.34 0.14 0.00 0.04 0.00 0.00 61.00 63.04 3h3f s PRO 138 Cb -0.10 -3.64 0.98 0.00 0.04 0.00 0.00 34.50 31.78 3h3f s PRO 138 CO 0.19 -0.62 1.87 -0.24 0.04 0.00 0.00 177.00 178.24 3h3f h VAL 139 N 5.45 0.75 -0.16 -0.36 3.04 -1.77 -1.08 116.25 122.12 3h3f h VAL 139 Ca -0.19 -0.17 -0.12 0.00 -1.01 0.00 0.00 66.70 65.20 3h3f h VAL 139 Cb 1.06 0.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 3h3f h VAL 139 CO 0.97 0.09 -0.38 0.44 -1.01 0.00 0.00 177.57 177.69 3h3f h ASP 140 N 0.51 0.61 -0.06 3.17 3.32 -1.88 -0.62 116.42 121.45 3h3f h ASP 140 Ca 0.45 -0.57 -0.25 0.00 0.02 0.00 0.00 57.03 56.67 3h3f h ASP 140 Cb 0.95 -0.18 0.02 0.00 0.22 0.00 0.00 39.33 40.35 3h3f h ASP 140 CO -0.18 1.07 -0.94 0.40 -1.72 0.00 0.00 179.24 177.86 3h3f h ILE 141 N 0.17 1.28 0.00 0.35 2.04 -1.63 -3.01 117.51 116.70 3h3f h ILE 141 Ca -0.00 -2.14 -0.03 0.00 1.00 0.00 0.00 64.86 63.69 3h3f h ILE 141 Cb 0.98 2.22 -0.00 0.00 -0.74 0.00 0.00 36.82 39.28 3h3f h ILE 141 CO 0.08 0.67 -0.13 -0.07 0.00 0.00 0.00 178.15 178.70 3h3f h LEU 142 N 0.46 0.00 0.02 1.44 3.38 -1.02 -0.68 115.31 118.91 3h3f h LEU 142 Ca -0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3h3f h LEU 142 Cb 1.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.34 3h3f h LEU 142 CO 0.19 0.13 -0.01 0.74 0.09 0.00 0.00 178.44 179.58 3h3f h THR 143 N 0.00 1.37 -0.93 0.22 2.02 -1.08 -1.00 112.91 113.51 3h3f h THR 143 Ca -0.00 -1.24 0.24 0.00 0.77 0.00 0.00 66.41 66.18 3h3f h THR 143 Cb 0.45 2.20 -0.13 0.00 -1.74 0.00 0.00 68.15 68.94 3h3f h THR 143 CO 0.02 0.32 0.45 0.22 0.37 0.00 0.00 175.52 176.89 3h3f h TYR 144 N -0.57 0.75 0.10 3.16 3.20 -1.33 -0.20 116.97 122.08 3h3f h TYR 144 Ca -0.00 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 3h3f h TYR 144 Cb 0.54 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.63 3h3f h TYR 144 CO 0.11 -0.05 -0.05 0.28 -1.64 0.00 0.00 178.16 176.82 3h3f h VAL 145 N 0.42 1.04 -1.00 1.81 2.07 -0.98 -2.79 116.25 116.82 3h3f h VAL 145 Ca 0.60 -0.54 0.25 0.00 0.82 0.00 0.00 66.70 67.82 3h3f h VAL 145 Cb 1.17 1.39 -0.08 0.00 -1.52 0.00 0.00 31.29 32.24 3h3f h VAL 145 CO -0.53 0.13 0.65 0.00 0.02 0.00 0.00 177.57 177.84 3h3f h ALA 146 N 0.48 2.23 0.00 1.67 0.00 -0.25 -0.24 119.26 123.15 3h3f h ALA 146 Ca -0.01 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3h3f h ALA 146 Cb 0.32 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3h3f h ALA 146 CO 0.02 -0.60 -0.61 2.35 0.00 0.00 0.00 179.25 180.42 3h3f h TRP 147 N 0.40 0.00 0.05 0.00 7.01 -0.95 -2.13 115.95 120.34 3h3f h TRP 147 Ca 0.55 0.00 -0.18 0.00 2.11 0.00 0.00 58.89 61.37 3h3f h TRP 147 Cb 1.40 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.45 3h3f h TRP 147 CO -0.00 0.61 -0.94 0.87 -2.79 0.00 0.00 178.44 176.19 3h3f h LYS 148 N 0.00 0.11 -0.77 2.65 1.79 -0.87 -2.67 116.57 116.81 3h3f h LYS 148 Ca -0.01 -0.18 0.05 0.00 -2.18 0.00 0.00 60.65 58.33 3h3f h LYS 148 Cb 1.12 0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 31.79 3h3f h LYS 148 CO 0.08 1.09 0.50 0.82 -1.08 0.00 0.00 179.45 180.86 3h3f h ILE 149 N -0.71 1.08 0.00 1.86 2.04 -1.22 -3.18 117.51 117.39 3h3f h ILE 149 Ca -0.22 -0.31 -0.25 0.00 1.00 0.00 0.00 64.86 65.08 3h3f h ILE 149 Cb 1.41 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 3h3f h ILE 149 CO -0.03 0.16 -1.32 0.77 0.00 0.00 0.00 178.15 177.73 3h3f h SER 150 N 0.89 0.01 0.00 1.72 4.64 -1.42 -3.47 113.55 115.92 3h3f h SER 150 Ca 0.32 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3h3f h SER 150 Cb 0.13 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3h3f h SER 150 CO -0.10 1.01 0.00 0.61 -0.87 0.00 0.00 176.83 177.48 3h3f n GLY 151 N 1.45 0.20 3.70 -0.77 0.00 -1.01 -5.01 105.19 103.75 3h3f n GLY 151 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.40 1.86 0.49 1.61 2.99 -1.26 -4.99 117.98 117.29 3h3f s PHE 152 Ca 0.00 1.68 -0.22 0.00 0.00 0.00 0.00 56.93 58.40 3h3f s PHE 152 Cb 0.00 -3.41 -0.07 0.00 0.00 0.00 0.00 43.02 39.54 3h3f s PHE 152 CO 0.00 -2.71 1.16 -1.25 -0.00 0.00 0.00 175.22 172.42 3h3f s PRO 153 N -4.27 3.58 0.51 0.24 0.04 -1.26 -4.91 135.00 128.93 3h3f s PRO 153 Ca 0.71 1.72 0.22 0.00 0.04 0.00 0.00 61.00 63.69 3h3f s PRO 153 Cb -0.26 -2.25 1.31 0.00 0.04 0.00 0.00 34.50 33.34 3h3f s PRO 153 CO 0.52 -0.69 2.01 1.57 0.04 0.00 0.00 177.00 180.45 3h3f h LYS 154 N 1.70 0.08 0.00 4.56 2.10 -1.96 -1.74 116.57 121.32 3h3f h LYS 154 Ca -0.50 -0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.15 3h3f h LYS 154 Cb 1.25 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3h3f h LYS 154 CO 0.59 0.05 -0.00 -2.95 -2.00 0.00 0.00 179.45 175.13 3h3f h ASN 155 N 0.08 0.00 -0.30 7.07 -1.07 -1.88 -1.87 115.58 117.61 3h3f h ASN 155 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.59 3h3f h ASN 155 Cb 0.79 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.04 3h3f h ASN 155 CO -0.02 0.00 0.00 0.54 0.07 0.00 0.00 177.43 178.03 3h3f n ARG 156 N -3.16 2.29 -3.95 4.14 1.74 -0.65 -1.67 116.66 115.39 3h3f n ARG 156 Ca -0.02 -1.93 -0.33 0.00 -0.77 0.00 0.00 57.85 54.79 3h3f n ARG 156 Cb 0.11 -1.48 -0.14 0.00 -1.02 0.00 0.00 32.46 29.93 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 -1.62 2.61 -0.10 1.55 1.01 -0.70 -0.28 120.40 122.87 3h3f s VAL 157 Ca 0.36 -2.13 -0.00 0.00 0.00 0.00 0.00 61.98 60.21 3h3f s VAL 157 Cb 0.21 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 3h3f s VAL 157 CO 0.30 -0.53 -0.08 -0.63 0.00 0.00 0.00 175.10 174.16 3h3f s ILE 158 N 1.01 3.59 -0.03 2.22 1.09 0.11 -4.79 121.20 124.41 3h3f s ILE 158 Ca 0.07 -0.50 -0.03 0.00 -1.10 0.00 0.00 60.65 59.09 3h3f s ILE 158 Cb -0.20 -2.50 -0.04 0.00 -1.06 0.00 0.00 42.46 38.66 3h3f s ILE 158 CO -0.06 0.56 0.15 -0.83 -0.10 0.00 0.00 174.94 174.66 3h3f s GLY 159 N -0.33 2.13 0.35 6.18 0.00 -0.63 -0.67 107.32 114.36 3h3f s GLY 159 Ca 0.04 -0.77 0.25 0.00 0.00 0.00 0.00 44.72 44.25 3h3f s GLY 159 CO 0.02 -0.62 1.76 1.48 0.00 0.00 0.00 173.10 175.74 3h3f h SER 160 N 4.10 0.00 0.00 1.64 4.64 -1.50 -1.05 113.55 121.39 3h3f h SER 160 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3h3f h SER 160 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3h3f h SER 160 CO 0.65 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.22 3h3f n GLY 161 N -0.82 1.57 1.14 -0.77 0.00 -1.26 -2.85 105.19 102.20 3h3f n GLY 161 Ca -0.00 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.23 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 3.93 -0.26 -0.34 0.00 -1.24 -0.32 -0.71 115.58 116.65 3h3f h ASN 163 Ca 0.00 0.16 -0.11 0.00 0.71 0.00 0.00 56.30 57.06 3h3f h ASN 163 Cb 0.88 0.27 -0.02 0.00 0.73 0.00 0.00 38.32 40.19 3h3f h ASN 163 CO 0.00 -0.11 -0.17 0.25 -1.29 0.00 0.00 177.43 176.11 3h3f h LEU 164 N 0.13 0.81 -0.37 0.34 5.85 -1.77 -0.85 115.31 119.45 3h3f h LEU 164 Ca 0.34 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 3h3f h LEU 164 Cb 0.57 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3h3f h LEU 164 CO -0.55 0.97 0.06 0.44 -0.34 0.00 0.00 178.44 179.03 3h3f h ASP 165 N 0.72 0.58 -0.68 1.25 5.19 -1.76 -1.24 116.42 120.48 3h3f h ASP 165 Ca 0.11 -0.26 -0.03 0.00 -0.62 0.00 0.00 57.03 56.22 3h3f h ASP 165 Cb 0.68 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 40.00 3h3f h ASP 165 CO 0.05 0.70 0.29 0.28 -3.12 0.00 0.00 179.24 177.44 3h3f h SER 166 N 0.45 0.92 -0.78 6.45 0.02 -1.07 0.55 113.55 120.09 3h3f h SER 166 Ca 0.11 -0.16 0.09 0.00 -0.84 0.00 0.00 61.79 60.99 3h3f h SER 166 Cb 0.36 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.61 3h3f h SER 166 CO 0.01 0.83 0.51 0.00 -1.14 0.00 0.00 176.83 177.04 3h3f h ALA 167 N 1.13 1.73 -0.07 3.77 0.00 -0.65 -1.36 119.26 123.81 3h3f h ALA 167 Ca 0.23 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 3h3f h ALA 167 Cb 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3h3f h ALA 167 CO -0.02 0.12 -0.27 0.00 0.00 0.00 0.00 179.25 179.08 3h3f h ARG 168 N 0.76 0.31 -0.75 0.00 3.08 -0.72 -2.42 114.38 114.65 3h3f h ARG 168 Ca 0.35 -0.24 0.12 0.00 0.07 0.00 0.00 59.98 60.28 3h3f h ARG 168 Cb 0.38 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.39 3h3f h ARG 168 CO -0.13 0.87 0.35 0.35 -1.07 0.00 0.00 179.97 180.34 3h3f h PHE 169 N -0.18 0.62 0.00 3.04 3.04 -0.56 -1.25 116.94 121.65 3h3f h PHE 169 Ca -0.01 0.03 -0.14 0.00 3.98 0.00 0.00 57.97 61.83 3h3f h PHE 169 Cb 0.91 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 39.24 3h3f h PHE 169 CO 0.13 0.17 -0.67 0.00 -2.02 0.00 0.00 178.31 175.91 3h3f h ARG 170 N 0.55 0.00 -0.57 1.11 3.08 -1.29 -0.94 114.38 116.32 3h3f h ARG 170 Ca 0.39 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.41 3h3f h ARG 170 Cb 0.50 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 3h3f h ARG 170 CO -0.33 0.67 0.23 -0.92 -1.07 0.00 0.00 179.97 178.56 3h3f h TYR 171 N 0.00 0.88 0.10 3.04 3.20 -0.95 -1.60 116.97 121.64 3h3f h TYR 171 Ca -0.01 -0.07 -0.28 0.00 3.14 0.00 0.00 58.73 61.52 3h3f h TYR 171 Cb 1.30 -0.26 0.02 0.00 1.54 0.00 0.00 36.73 39.32 3h3f h TYR 171 CO 0.00 0.71 -1.19 -0.07 -1.64 0.00 0.00 178.16 175.96 3h3f h LEU 172 N 0.79 0.73 -0.36 2.82 3.38 -1.11 -2.05 115.31 119.50 3h3f h LEU 172 Ca 0.19 -0.67 0.05 0.00 0.09 0.00 0.00 57.88 57.54 3h3f h LEU 172 Cb 0.20 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 3h3f h LEU 172 CO -0.02 1.49 0.09 -0.03 0.09 0.00 0.00 178.44 180.06 3h3f h MET 173 N 0.23 0.21 -0.07 1.13 4.05 -1.14 -2.40 114.93 116.94 3h3f h MET 173 Ca -0.16 -0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.16 3h3f h MET 173 Cb 1.87 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 32.60 3h3f h MET 173 CO 0.22 0.14 -0.39 0.78 0.23 0.00 0.00 176.91 177.90 3h3f h GLY 174 N 0.22 0.15 1.59 1.39 0.00 -1.16 -0.41 103.07 104.85 3h3f h GLY 174 Ca 0.17 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 3h3f h GLY 174 CO -0.21 0.12 -0.14 0.83 0.00 0.00 0.00 176.54 177.14 3h3f h GLU 175 N 0.12 0.50 -0.26 4.80 4.39 -1.29 -0.04 114.58 122.79 3h3f h GLU 175 Ca 0.01 -0.15 -0.12 0.00 0.34 0.00 0.00 59.36 59.44 3h3f h GLU 175 Cb 0.74 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.33 3h3f h GLU 175 CO 0.06 0.63 -0.32 0.00 -1.16 0.00 0.00 179.01 178.22 3h3f h ARG 176 N 0.46 0.68 0.00 2.33 3.08 -0.74 -3.29 114.38 116.89 3h3f h ARG 176 Ca 0.08 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.75 3h3f h ARG 176 Cb 0.51 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3h3f h ARG 176 CO 0.03 0.99 -0.43 1.28 -1.07 0.00 0.00 179.97 180.77 3h3f n LEU 177 N -4.26 0.44 -1.29 3.04 4.32 -0.27 -4.96 117.00 114.03 3h3f n LEU 177 Ca -0.04 0.12 -0.12 0.00 -0.02 0.00 0.00 56.01 55.94 3h3f n LEU 177 Cb 0.49 -0.28 -0.02 0.00 -1.62 0.00 0.00 43.42 41.99 3h3f n LEU 177 CO 0.45 0.08 -0.15 0.61 -1.22 0.00 0.00 177.39 177.16 3h3f n GLY 178 N 1.48 0.23 3.32 -0.72 0.00 -0.12 -5.05 105.19 104.33 3h3f n GLY 178 Ca 0.05 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.57 1.86 0.52 1.61 1.01 -0.63 -5.04 120.40 117.16 3h3f s VAL 179 Ca 0.00 -1.66 -0.23 0.00 0.00 0.00 0.00 61.98 60.09 3h3f s VAL 179 Cb 0.00 -1.71 -0.06 0.00 0.00 0.00 0.00 36.38 34.61 3h3f s VAL 179 CO 0.00 -0.08 1.37 1.57 0.00 0.00 0.00 175.10 177.97 3h3f n HIS 180 N 0.89 2.38 0.03 5.22 -0.00 -1.26 -4.36 115.22 118.12 3h3f n HIS 180 Ca -0.18 0.43 0.14 0.00 -0.00 0.00 0.00 57.72 58.11 3h3f n HIS 180 Cb 0.54 -2.38 0.60 0.00 -0.00 0.00 0.00 29.99 28.75 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 1.62 2.19 -0.46 1.57 0.00 -1.90 0.04 119.26 122.33 3h3f h ALA 181 Ca -0.51 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 54.52 3h3f h ALA 181 Cb 1.30 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 3h3f h ALA 181 CO 0.58 -0.29 0.38 -0.07 0.00 0.00 0.00 179.25 179.84 3h3f h LEU 182 N 0.17 0.00 -2.88 0.00 4.07 -1.90 -2.05 115.31 112.71 3h3f h LEU 182 Ca 0.20 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.16 3h3f h LEU 182 Cb 0.58 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.32 3h3f h LEU 182 CO -0.03 0.00 0.00 -1.20 -1.08 0.00 0.00 178.44 176.13 3h3f n SER 183 N -4.13 3.35 -4.27 -0.43 7.64 -0.01 -4.90 113.62 110.88 3h3f n SER 183 Ca 0.08 -2.08 -0.35 0.00 1.01 0.00 0.00 58.87 57.53 3h3f n SER 183 Cb 0.57 -0.34 -0.14 0.00 -1.01 0.00 0.00 64.21 63.30 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 1.41 2.75 0.00 0.00 0.09 -0.52 -4.80 115.29 114.22 3h3f s HIS 185 Ca 0.02 -0.14 0.00 0.00 -0.00 0.00 0.00 55.06 54.94 3h3f s HIS 185 Cb -0.16 -1.52 0.00 0.00 -0.00 0.00 0.00 32.58 30.90 3h3f s HIS 185 CO -0.02 0.35 0.00 0.41 -0.00 0.00 0.00 174.74 175.48 3h3f n GLY 186 N 1.34 3.02 3.25 -2.22 0.00 -1.26 -1.05 105.19 108.26 3h3f n GLY 186 Ca -0.15 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 3h3f n GLY 186 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3h3f s TRP 187 N -1.53 2.50 -0.19 1.61 0.52 -1.26 -4.76 118.94 115.82 3h3f s TRP 187 Ca 0.00 -0.87 -0.04 0.00 0.02 0.00 0.00 56.10 55.21 3h3f s TRP 187 Cb 0.00 -1.65 -0.02 0.00 -1.15 0.00 0.00 33.47 30.65 3h3f s TRP 187 CO 0.00 -0.31 -0.02 0.42 0.02 0.00 0.00 176.95 177.06 3h3f s ILE 188 N 0.06 3.78 0.35 2.03 -1.09 -1.26 -1.86 121.20 123.21 3h3f s ILE 188 Ca -0.10 -0.38 0.09 0.00 -2.23 0.00 0.00 60.65 58.03 3h3f s ILE 188 Cb -0.16 -2.70 -0.05 0.00 -1.58 0.00 0.00 42.46 37.97 3h3f s ILE 188 CO 0.06 0.44 0.05 -0.76 -1.23 0.00 0.00 174.94 173.50 3h3f s LEU 189 N 0.97 3.02 0.00 2.97 1.02 0.42 -4.75 118.68 122.32 3h3f s LEU 189 Ca 0.01 -1.01 0.00 0.00 0.02 0.00 0.00 54.13 53.15 3h3f s LEU 189 Cb -0.14 -1.36 0.00 0.00 0.02 0.00 0.00 46.19 44.70 3h3f s LEU 189 CO 0.01 -0.30 0.00 0.61 0.02 0.00 0.00 176.35 176.69 3h3f n GLY 190 N -1.01 0.46 3.77 -3.19 0.00 -0.46 0.34 105.19 105.10 3h3f n GLY 190 Ca -0.04 -1.27 -0.38 0.00 0.00 0.00 0.00 46.02 44.33 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 4.24 -0.94 1.61 2.12 -1.26 -2.04 118.70 122.43 3h3f s GLU 191 Ca 0.00 1.65 -0.24 0.00 0.36 0.00 0.00 54.97 56.74 3h3f s GLU 191 Cb 0.00 -2.72 -0.00 0.00 0.26 0.00 0.00 34.13 31.67 3h3f s GLU 191 CO 0.00 -0.10 1.71 -1.58 -0.54 0.00 0.00 175.26 174.75 3h3f s HIS 192 N -1.49 2.13 -5.00 5.30 5.65 -1.26 -3.84 115.29 116.78 3h3f s HIS 192 Ca 0.55 -0.02 0.00 0.00 0.25 0.00 0.00 55.06 55.84 3h3f s HIS 192 Cb -0.26 -4.35 0.00 0.00 -1.18 0.00 0.00 32.58 26.79 3h3f s HIS 192 CO 0.33 -1.86 0.00 0.41 -0.65 0.00 0.00 174.74 172.97 3h3f n GLY 193 N 6.77 -0.17 0.37 1.59 0.00 -1.26 -4.83 105.19 107.66 3h3f n GLY 193 Ca 0.35 -1.18 0.13 0.00 0.00 0.00 0.00 46.02 45.32 3h3f n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3h3f h ASP 194 N 0.00 0.53 -0.88 1.61 3.45 -1.89 -2.56 116.42 116.68 3h3f h ASP 194 Ca 0.00 0.03 -0.47 0.00 0.43 0.00 0.00 57.03 57.02 3h3f h ASP 194 Cb 0.00 -0.08 -0.27 0.00 -0.56 0.00 0.00 39.33 38.42 3h3f h ASP 194 CO 0.00 0.28 0.52 -1.54 -1.57 0.00 0.00 179.24 176.93 3h3f n SER 195 N -4.51 3.72 -4.76 6.45 3.41 -1.26 -5.00 113.62 111.66 3h3f n SER 195 Ca 0.15 -3.66 -0.39 0.00 -0.26 0.00 0.00 58.87 54.71 3h3f n SER 195 Cb 0.46 -0.81 0.02 0.00 -0.26 0.00 0.00 64.21 63.62 3h3f n SER 195 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3h3f s SER 196 N -1.58 5.81 -0.22 4.04 1.04 -0.97 -4.41 113.70 117.41 3h3f s SER 196 Ca 0.55 2.76 -0.08 0.00 0.48 0.00 0.00 55.95 59.66 3h3f s SER 196 Cb 0.47 -2.64 -0.04 0.00 0.10 0.00 0.00 66.02 63.91 3h3f s SER 196 CO 0.08 -1.20 0.08 -0.69 0.98 0.00 0.00 173.24 172.49 3h3f s VAL 197 N -1.28 4.65 -0.11 5.02 1.01 1.05 -4.85 120.40 125.88 3h3f s VAL 197 Ca 0.64 -0.07 -0.18 0.00 0.00 0.00 0.00 61.98 62.37 3h3f s VAL 197 Cb -0.40 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 3h3f s VAL 197 CO 0.50 0.38 0.46 -2.16 0.00 0.00 0.00 175.10 174.27 3h3f s PRO 198 N 1.11 4.30 -0.67 2.72 0.04 -1.26 0.16 135.00 141.39 3h3f s PRO 198 Ca 0.05 0.42 -0.18 0.00 0.04 0.00 0.00 61.00 61.32 3h3f s PRO 198 Cb -0.14 -3.42 0.13 0.00 0.04 0.00 0.00 34.50 31.11 3h3f s PRO 198 CO 0.04 0.21 0.76 0.08 0.04 0.00 0.00 177.00 178.13 3h3f s VAL 199 N 0.46 4.95 0.21 -0.36 1.01 -0.78 -4.84 120.40 121.05 3h3f s VAL 199 Ca 0.25 -1.33 0.08 0.00 0.00 0.00 0.00 61.98 60.98 3h3f s VAL 199 Cb -0.15 -4.52 -0.10 0.00 0.00 0.00 0.00 36.38 31.60 3h3f s VAL 199 CO 0.10 -1.15 1.47 -0.50 0.00 0.00 0.00 175.10 175.02 3h3f h TRP 200 N 8.90 0.04 0.00 5.22 4.06 -1.95 -3.10 115.95 129.13 3h3f h TRP 200 Ca -0.17 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.76 3h3f h TRP 200 Cb 1.07 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.23 3h3f h TRP 200 CO 0.91 0.79 0.00 0.66 -3.56 0.00 0.00 178.44 177.24 3h3f h SER 201 N 0.02 0.00 0.00 -3.49 4.64 -1.94 -3.09 113.55 109.69 3h3f h SER 201 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3h3f h SER 201 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 3h3f h SER 201 CO 0.10 0.00 -0.03 0.61 -0.87 0.00 0.00 176.83 176.64 3h3f n GLY 202 N -0.64 4.53 3.83 -0.77 0.00 -1.17 -4.84 105.19 106.13 3h3f n GLY 202 Ca -0.01 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.62 4.13 -0.11 1.61 -1.94 -1.17 -4.54 119.30 114.66 3h3f s MET 203 Ca 0.29 0.82 -0.32 0.00 -1.71 0.00 0.00 55.69 54.77 3h3f s MET 203 Cb 0.25 -2.52 0.12 0.00 2.01 0.00 0.00 34.83 34.69 3h3f s MET 203 CO 0.03 0.19 1.05 0.54 -0.01 0.00 0.00 175.02 176.82 3h3f s ASN 204 N -2.08 -0.26 -0.01 3.03 4.22 -0.21 -1.56 114.94 118.06 3h3f s ASN 204 Ca 0.52 0.06 0.08 0.00 -2.14 0.00 0.00 52.86 51.39 3h3f s ASN 204 Cb -0.12 0.26 -0.02 0.00 1.28 0.00 0.00 41.25 42.65 3h3f s ASN 204 CO 0.18 -0.40 -0.26 -0.69 -2.04 0.00 0.00 177.10 173.89 3h3f s VAL 205 N -2.44 2.05 -1.49 3.54 1.01 -1.16 -1.44 120.40 120.47 3h3f s VAL 205 Ca 0.06 -1.14 -0.19 0.00 0.00 0.00 0.00 61.98 60.71 3h3f s VAL 205 Cb -0.01 -1.71 0.19 0.00 0.00 0.00 0.00 36.38 34.85 3h3f s VAL 205 CO -0.06 0.55 0.48 0.00 0.00 0.00 0.00 175.10 176.07 3h3f n ALA 206 N 2.35 -1.17 -0.94 5.51 0.00 -1.26 -0.05 120.51 124.95 3h3f n ALA 206 Ca -0.16 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3h3f n ALA 206 Cb 0.51 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.83 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 -0.95 0.50 3.57 0.00 0.00 -1.26 -5.00 105.19 102.04 3h3f n GLY 207 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3h3f n GLY 207 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h3f s VAL 208 N -2.29 5.18 -0.00 1.61 -7.23 0.92 -5.02 120.40 113.58 3h3f s VAL 208 Ca 0.00 0.21 -0.30 0.00 -1.81 0.00 0.00 61.98 60.08 3h3f s VAL 208 Cb 0.00 -3.76 -0.07 0.00 0.56 0.00 0.00 36.38 33.11 3h3f s VAL 208 CO 0.00 0.01 1.73 -0.55 -0.31 0.00 0.00 175.10 175.98 3h3f s SER 209 N 1.71 6.60 0.12 4.85 0.15 -1.26 -3.00 113.70 122.87 3h3f s SER 209 Ca 0.12 2.40 0.16 0.00 0.70 0.00 0.00 55.95 59.34 3h3f s SER 209 Cb -0.16 -2.54 0.71 0.00 -1.71 0.00 0.00 66.02 62.32 3h3f s SER 209 CO 0.11 -0.95 1.50 0.18 1.20 0.00 0.00 173.24 175.28 3h3f n LEU 210 N 6.89 0.29 -0.05 3.45 4.32 -0.60 -2.67 117.00 128.62 3h3f n LEU 210 Ca 0.18 0.59 0.00 0.00 -0.02 0.00 0.00 56.01 56.75 3h3f n LEU 210 Cb 0.42 -0.56 -0.15 0.00 -1.62 0.00 0.00 43.42 41.51 3h3f n LEU 210 CO 0.64 -0.47 -0.92 1.17 -1.22 0.00 0.00 177.39 176.59 3h3f n LYS 211 N -1.83 0.81 0.26 3.23 4.81 -1.26 -2.65 118.16 121.52 3h3f n LYS 211 Ca 0.02 -0.09 0.14 0.00 -0.87 0.00 0.00 58.31 57.50 3h3f n LYS 211 Cb 0.15 -1.47 0.65 0.00 0.02 0.00 0.00 35.03 34.38 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 0.35 0.00 3.15 2.02 -1.86 -2.89 112.91 113.69 3h3f h THR 212 Ca -0.25 -0.71 -0.27 0.00 0.77 0.00 0.00 66.41 65.95 3h3f h THR 212 Cb 1.52 1.53 -0.05 0.00 -1.74 0.00 0.00 68.15 69.41 3h3f h THR 212 CO 0.01 0.11 -2.25 -0.11 0.37 0.00 0.00 175.52 173.65 3h3f n LEU 213 N -3.34 0.04 -3.48 2.58 7.94 -1.20 -4.50 117.00 115.03 3h3f n LEU 213 Ca -0.00 0.02 -0.27 0.00 -1.11 0.00 0.00 56.01 54.64 3h3f n LEU 213 Cb 0.32 0.36 -0.10 0.00 0.53 0.00 0.00 43.42 44.52 3h3f n LEU 213 CO 0.30 0.36 -0.24 1.57 -1.11 0.00 0.00 177.39 178.27 3h3f n HIS 214 N -2.63 0.20 0.10 1.96 -0.00 -1.08 -5.02 115.22 108.74 3h3f n HIS 214 Ca -0.25 -3.58 0.04 0.00 0.46 0.00 0.00 57.72 54.39 3h3f n HIS 214 Cb 1.00 -0.02 0.22 0.00 -0.12 0.00 0.00 29.99 31.07 3h3f n HIS 214 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 3h3f n PRO 215 N 2.41 0.05 -0.09 1.57 -0.04 -1.09 -0.31 135.00 137.50 3h3f n PRO 215 Ca 0.27 0.47 0.06 0.00 -0.04 0.00 0.00 63.50 64.25 3h3f n PRO 215 Cb 0.45 -1.92 0.10 0.00 -0.04 0.00 0.00 33.50 32.10 3h3f n PRO 215 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3h3f n GLU 216 N -1.75 1.68 -1.61 0.54 0.00 -1.26 -4.99 120.64 113.24 3h3f n GLU 216 Ca -0.01 -1.61 -0.49 0.00 0.00 0.00 0.00 57.16 55.06 3h3f n GLU 216 Cb 0.25 -1.25 -0.04 0.00 0.00 0.00 0.00 31.44 30.39 3h3f n GLU 216 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 3h3f n LEU 217 N 0.61 2.08 0.00 -1.84 7.94 0.57 -0.15 117.00 126.22 3h3f n LEU 217 Ca 0.09 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.12 3h3f n LEU 217 Cb 0.36 -1.28 0.00 0.00 0.53 0.00 0.00 43.42 43.03 3h3f n LEU 217 CO 0.08 -0.93 0.00 0.61 -1.11 0.00 0.00 177.39 176.04 3h3f n GLY 218 N 2.40 3.30 3.88 -3.96 0.00 -1.26 -5.00 105.19 104.55 3h3f n GLY 218 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.26 3.73 0.10 2.61 2.01 0.79 -4.61 115.64 118.01 3h3f s THR 219 Ca 0.00 0.54 -0.15 0.00 0.31 0.00 0.00 61.69 62.38 3h3f s THR 219 Cb 0.00 -3.55 -0.09 0.00 0.01 0.00 0.00 72.50 68.87 3h3f s THR 219 CO 0.00 -0.72 1.42 0.44 -0.69 0.00 0.00 174.62 175.07 3h3f h ASP 220 N -0.57 0.72 -1.64 3.53 3.32 -1.97 -3.22 116.42 116.59 3h3f h ASP 220 Ca -0.45 -0.47 0.48 0.00 0.02 0.00 0.00 57.03 56.61 3h3f h ASP 220 Cb 1.24 -0.20 -0.07 0.00 0.22 0.00 0.00 39.33 40.52 3h3f h ASP 220 CO 0.63 1.04 1.17 0.00 -1.72 0.00 0.00 179.24 180.36 3h3f h ALA 221 N 0.70 3.51 -1.74 3.45 0.00 -1.94 -3.46 119.26 119.77 3h3f h ALA 221 Ca 0.05 -0.04 -0.68 0.00 0.00 0.00 0.00 54.91 54.23 3h3f h ALA 221 Cb 0.83 0.13 0.03 0.00 0.00 0.00 0.00 17.79 18.78 3h3f h ALA 221 CO 0.07 -2.00 0.82 -3.47 0.00 0.00 0.00 179.25 174.67 3h3f n ASP 222 N -4.09 2.48 0.22 0.00 2.03 -1.22 -4.91 116.55 111.07 3h3f n ASP 222 Ca 0.37 1.07 0.14 0.00 0.52 0.00 0.00 54.79 56.89 3h3f n ASP 222 Cb 1.69 -1.23 0.44 0.00 -0.72 0.00 0.00 41.12 41.30 3h3f n ASP 222 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 3h3f h LYS 223 N 6.82 0.00 0.00 -0.67 -0.00 -1.93 -3.15 116.57 117.64 3h3f h LYS 223 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.18 3h3f h LYS 223 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.54 3h3f h LYS 223 CO 0.91 0.00 -0.65 0.39 -0.00 0.00 0.00 179.45 180.09 3h3f n GLU 224 N -2.89 0.04 -3.29 0.07 1.02 -1.26 -4.97 120.64 109.37 3h3f n GLU 224 Ca 0.03 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.02 3h3f n GLU 224 Cb 0.40 -1.52 0.08 0.00 -0.02 0.00 0.00 31.44 30.38 3h3f n GLU 224 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3h3f n GLN 225 N -1.58 -4.72 0.09 3.49 6.02 -1.19 -4.87 117.38 114.62 3h3f n GLN 225 Ca 0.05 0.82 -0.01 0.00 -0.01 0.00 0.00 57.00 57.84 3h3f n GLN 225 Cb 0.35 -5.68 0.26 0.00 1.02 0.00 0.00 30.24 26.20 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 -1.51 0.30 -1.02 1.08 4.06 -1.88 -2.36 115.95 114.62 3h3f h TRP 226 Ca -0.57 -0.07 0.26 0.00 2.06 0.00 0.00 58.89 60.58 3h3f h TRP 226 Cb 1.31 -0.07 -0.08 0.00 -1.00 0.00 0.00 29.16 29.32 3h3f h TRP 226 CO 0.37 0.56 0.67 -0.22 -3.56 0.00 0.00 178.44 176.26 3h3f h LYS 227 N 0.23 0.33 -0.22 0.49 3.64 -1.85 0.12 116.57 119.32 3h3f h LYS 227 Ca 0.03 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3h3f h LYS 227 Cb 0.68 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 3h3f h LYS 227 CO 0.05 0.22 0.08 0.37 -2.27 0.00 0.00 179.45 177.90 3h3f h GLN 228 N 0.34 0.30 -0.98 1.90 4.15 -1.79 -1.78 115.11 117.26 3h3f h GLN 228 Ca 0.56 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.96 3h3f h GLN 228 Cb 1.52 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 29.10 3h3f h GLN 228 CO -0.23 0.26 0.65 0.28 -1.93 0.00 0.00 178.83 177.86 3h3f h VAL 229 N 0.31 1.24 -0.48 2.39 2.07 -0.86 0.24 116.25 121.16 3h3f h VAL 229 Ca 0.08 -0.45 -0.12 0.00 0.82 0.00 0.00 66.70 67.03 3h3f h VAL 229 Cb 0.07 -0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 29.63 3h3f h VAL 229 CO -0.01 0.24 -0.16 -0.74 0.02 0.00 0.00 177.57 176.92 3h3f h HIS 230 N 1.32 1.04 -0.90 1.57 -0.00 -1.39 -2.46 115.15 114.33 3h3f h HIS 230 Ca 0.37 -0.23 0.14 0.00 -0.00 0.00 0.00 60.37 60.65 3h3f h HIS 230 Cb -0.13 -0.25 -0.09 0.00 -0.00 0.00 0.00 27.41 26.94 3h3f h HIS 230 CO -0.00 1.01 0.51 -0.22 -0.00 0.00 0.00 177.93 179.23 3h3f h LYS 231 N 0.82 0.74 0.00 5.26 1.63 -0.56 0.19 116.57 124.65 3h3f h LYS 231 Ca 0.12 -0.04 -0.06 0.00 -0.85 0.00 0.00 60.65 59.81 3h3f h LYS 231 Cb 0.71 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.16 3h3f h LYS 231 CO 0.05 0.49 -0.31 1.96 -3.45 0.00 0.00 179.45 178.20 3h3f h GLN 232 N 0.77 0.00 -0.09 1.90 4.20 -0.13 -1.84 115.11 119.91 3h3f h GLN 232 Ca 0.47 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.15 3h3f h GLN 232 Cb 0.59 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.37 3h3f h GLN 232 CO -0.32 0.31 -0.06 0.28 -0.67 0.00 0.00 178.83 178.37 3h3f h VAL 233 N 0.00 1.33 -0.45 -0.54 2.07 -0.60 -2.79 116.25 115.27 3h3f h VAL 233 Ca -0.00 -1.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.38 3h3f h VAL 233 Cb 0.82 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 3h3f h VAL 233 CO 0.04 0.31 0.17 -0.37 0.02 0.00 0.00 177.57 177.74 3h3f h VAL 234 N -0.18 1.17 -0.02 2.57 -1.51 -1.13 -2.31 116.25 114.85 3h3f h VAL 234 Ca 0.02 -0.55 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 3h3f h VAL 234 Cb 0.52 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 30.33 3h3f h VAL 234 CO 0.02 0.21 0.00 0.47 -1.23 0.00 0.00 177.57 177.04 3h3f n ASP 235 N -4.36 0.82 0.13 4.19 8.00 -0.72 -4.36 116.55 120.25 3h3f n ASP 235 Ca 0.03 -1.30 -0.14 0.00 0.71 0.00 0.00 54.79 54.09 3h3f n ASP 235 Cb 0.16 -0.01 -0.08 0.00 -0.02 0.00 0.00 41.12 41.17 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 1.26 -0.21 -0.17 -2.24 0.02 -1.13 -1.93 113.55 109.16 3h3f h SER 236 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3h3f h SER 236 Cb 0.27 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 3h3f h SER 236 CO 0.00 -0.11 0.11 0.00 -1.14 0.00 0.00 176.83 175.69 3h3f h ALA 237 N 0.52 0.21 -0.09 3.77 0.00 -1.79 -0.89 119.26 120.99 3h3f h ALA 237 Ca -0.03 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3h3f h ALA 237 Cb 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3h3f h ALA 237 CO 0.04 -0.29 0.02 1.88 0.00 0.00 0.00 179.25 180.90 3h3f h TYR 238 N 0.21 0.03 -0.70 0.00 0.05 -1.82 0.54 116.97 115.28 3h3f h TYR 238 Ca 0.06 0.01 0.13 0.00 0.05 0.00 0.00 58.73 58.97 3h3f h TYR 238 Cb -0.00 -0.00 -0.09 0.00 1.01 0.00 0.00 36.73 37.65 3h3f h TYR 238 CO -0.06 0.01 0.25 0.93 -1.05 0.00 0.00 178.16 178.24 3h3f h GLU 239 N 0.06 0.39 -0.06 4.88 4.39 -1.15 0.41 114.58 123.49 3h3f h GLU 239 Ca 0.04 -0.02 -0.23 0.00 0.34 0.00 0.00 59.36 59.49 3h3f h GLU 239 Cb 0.03 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3h3f h GLU 239 CO -0.05 0.26 -0.87 0.28 -1.16 0.00 0.00 179.01 177.47 3h3f h VAL 240 N 0.40 1.33 -0.57 3.13 2.07 -1.01 -2.93 116.25 118.67 3h3f h VAL 240 Ca 0.38 -2.19 -0.07 0.00 0.82 0.00 0.00 66.70 65.64 3h3f h VAL 240 Cb 0.56 2.21 -0.02 0.00 -1.52 0.00 0.00 31.29 32.51 3h3f h VAL 240 CO -0.39 0.67 0.09 0.40 0.02 0.00 0.00 177.57 178.36 3h3f h ILE 241 N 0.37 1.26 -0.34 4.57 2.04 -0.19 0.33 117.51 125.54 3h3f h ILE 241 Ca -0.07 -0.98 0.10 0.00 1.00 0.00 0.00 64.86 64.90 3h3f h ILE 241 Cb 1.49 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 3h3f h ILE 241 CO 0.16 0.36 0.25 0.50 0.00 0.00 0.00 178.15 179.42 3h3f h LYS 242 N 0.85 0.00 0.00 2.37 3.64 -0.22 0.17 116.57 123.38 3h3f h LYS 242 Ca 0.17 0.00 -0.43 0.00 -1.27 0.00 0.00 60.65 59.12 3h3f h LYS 242 Cb 0.42 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.17 3h3f h LYS 242 CO 0.01 0.00 -2.45 1.28 -2.27 0.00 0.00 179.45 176.03 3h3f n LEU 243 N -4.41 2.28 -0.22 5.20 4.77 -0.61 -4.67 117.00 119.34 3h3f n LEU 243 Ca 0.05 0.20 0.02 0.00 -0.03 0.00 0.00 56.01 56.25 3h3f n LEU 243 Cb 0.43 -0.86 0.06 0.00 -2.33 0.00 0.00 43.42 40.71 3h3f n LEU 243 CO 0.36 0.68 0.55 2.29 -1.33 0.00 0.00 177.39 179.93 3h3f n LYS 244 N -3.94 2.88 0.00 3.23 2.85 0.11 -5.00 118.16 118.28 3h3f n LYS 244 Ca -0.50 -1.76 0.00 0.00 -1.05 0.00 0.00 58.31 55.00 3h3f n LYS 244 Cb 0.91 -1.13 0.00 0.00 -0.65 0.00 0.00 35.03 34.16 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 -0.23 2.99 3.86 2.58 0.00 0.59 -4.93 105.19 110.05 3h3f n GLY 245 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.23 -1.43 -4.95 1.61 4.11 -1.26 -4.79 117.16 109.22 3h3f n TYR 246 Ca 0.00 -1.32 -0.29 0.00 -0.00 0.00 0.00 57.90 56.29 3h3f n TYR 246 Cb 0.00 0.64 -0.15 0.00 -0.00 0.00 0.00 39.34 39.83 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 -2.06 2.01 0.24 -3.48 -4.23 -1.26 -4.32 115.64 102.54 3h3f s THR 247 Ca 0.23 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 3h3f s THR 247 Cb -0.03 -1.71 0.00 0.00 1.34 0.00 0.00 72.50 72.10 3h3f s THR 247 CO 0.06 0.39 0.00 0.35 -0.54 0.00 0.00 174.62 174.88 3h3f n THR 248 N 1.98 0.00 -0.29 3.99 -2.24 -1.26 -4.56 114.28 111.89 3h3f n THR 248 Ca -0.17 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.57 3h3f n THR 248 Cb 0.52 -0.42 0.07 0.00 -2.10 0.00 0.00 70.33 68.40 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 1.05 0.02 4.78 -0.00 -1.95 -1.45 115.95 118.40 3h3f h TRP 249 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.89 58.65 3h3f h TRP 249 Cb 0.00 -0.35 -0.03 0.00 -0.00 0.00 0.00 29.16 28.79 3h3f h TRP 249 CO 0.00 0.69 -1.20 0.00 -0.00 0.00 0.00 178.44 177.93 3h3f h ALA 250 N 1.27 0.39 -0.13 1.49 0.00 -1.98 -2.08 119.26 118.21 3h3f h ALA 250 Ca 0.29 -1.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.03 3h3f h ALA 250 Cb -0.06 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3h3f h ALA 250 CO -0.06 1.27 -0.53 0.97 0.00 0.00 0.00 179.25 180.91 3h3f h ILE 251 N 0.01 1.34 -0.40 0.00 6.09 -1.91 -0.66 117.51 121.98 3h3f h ILE 251 Ca -0.09 -1.79 -0.02 0.00 -1.37 0.00 0.00 64.86 61.59 3h3f h ILE 251 Cb 1.86 1.81 -0.02 0.00 0.47 0.00 0.00 36.82 40.94 3h3f h ILE 251 CO 0.13 0.54 0.15 1.23 -3.07 0.00 0.00 178.15 177.13 3h3f h GLY 252 N 1.24 0.61 1.56 8.18 0.00 -1.09 0.36 103.07 113.93 3h3f h GLY 252 Ca 0.01 -0.29 -0.22 0.00 0.00 0.00 0.00 47.33 46.83 3h3f h GLY 252 CO 0.09 0.28 -1.22 1.41 0.00 0.00 0.00 176.54 177.10 3h3f h LEU 253 N 0.56 0.00 -0.56 3.11 3.38 -1.18 -1.81 115.31 118.81 3h3f h LEU 253 Ca 0.14 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 3h3f h LEU 253 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3h3f h LEU 253 CO -0.01 0.90 -0.18 -1.28 0.09 0.00 0.00 178.44 177.96 3h3f h SER 254 N 0.00 0.98 0.03 -0.43 0.87 -0.54 -1.44 113.55 113.02 3h3f h SER 254 Ca -0.12 -0.35 -0.18 0.00 -1.23 0.00 0.00 61.79 59.91 3h3f h SER 254 Cb 1.79 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 63.48 3h3f h SER 254 CO 0.10 1.13 -0.64 0.58 -0.53 0.00 0.00 176.83 177.47 3h3f h VAL 255 N 0.85 1.33 -0.11 2.23 2.07 -0.25 -2.37 116.25 119.99 3h3f h VAL 255 Ca 0.12 -1.92 -0.11 0.00 0.82 0.00 0.00 66.70 65.61 3h3f h VAL 255 Cb 0.74 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 3h3f h VAL 255 CO 0.06 0.59 -0.43 0.00 0.02 0.00 0.00 177.57 177.81 3h3f h ALA 256 N 0.87 1.07 -0.49 1.67 0.00 -1.25 -0.19 119.26 120.93 3h3f h ALA 256 Ca -0.01 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 3h3f h ALA 256 Cb 1.21 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3h3f h ALA 256 CO 0.12 0.61 0.31 0.22 0.00 0.00 0.00 179.25 180.50 3h3f h ASP 257 N 0.21 0.58 -0.38 0.00 3.58 -0.97 -1.58 116.42 117.87 3h3f h ASP 257 Ca 0.02 -0.04 -0.13 0.00 0.42 0.00 0.00 57.03 57.30 3h3f h ASP 257 Cb 0.85 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.75 3h3f h ASP 257 CO 0.07 0.46 -0.26 -0.07 -2.88 0.00 0.00 179.24 176.56 3h3f h LEU 258 N 0.66 0.88 -0.84 2.28 3.38 -1.25 -2.90 115.31 117.53 3h3f h LEU 258 Ca 0.18 -0.43 0.09 0.00 0.09 0.00 0.00 57.88 57.80 3h3f h LEU 258 Cb -0.03 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.41 3h3f h LEU 258 CO -0.03 1.12 0.49 0.00 0.09 0.00 0.00 178.44 180.11 3h3f h ALA 259 N 0.78 1.19 -0.16 1.53 0.00 -0.95 -1.87 119.26 119.78 3h3f h ALA 259 Ca 0.07 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3h3f h ALA 259 Cb 0.83 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3h3f h ALA 259 CO 0.07 0.14 -0.11 1.49 0.00 0.00 0.00 179.25 180.84 3h3f h GLU 260 N 0.84 -0.10 -0.61 0.00 4.81 -1.08 0.43 114.58 118.86 3h3f h GLU 260 Ca 0.40 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.72 3h3f h GLU 260 Cb 0.33 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.67 3h3f h GLU 260 CO -0.23 -0.07 0.26 0.77 -0.73 0.00 0.00 179.01 179.01 3h3f h SER 261 N -0.11 0.31 0.27 1.04 0.02 -1.41 -0.75 113.55 112.92 3h3f h SER 261 Ca 0.10 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 3h3f h SER 261 Cb 0.25 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.81 3h3f h SER 261 CO -0.23 0.19 -0.13 0.40 -1.14 0.00 0.00 176.83 175.92 3h3f h ILE 262 N 0.47 0.78 0.00 3.27 2.04 -0.55 -0.00 117.51 123.52 3h3f h ILE 262 Ca 0.30 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 3h3f h ILE 262 Cb 0.33 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3h3f h ILE 262 CO -0.27 0.07 -0.18 0.24 0.00 0.00 0.00 178.15 178.02 3h3f h MET 263 N -0.54 0.00 -0.02 2.37 2.86 0.13 -2.88 114.93 116.85 3h3f h MET 263 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3h3f h MET 263 Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 3h3f h MET 263 CO 0.06 0.18 -0.05 1.63 1.06 0.00 0.00 176.91 179.78 3h3f n LYS 264 N -3.38 1.13 -3.47 1.72 5.02 -0.31 -5.00 118.16 113.87 3h3f n LYS 264 Ca -0.00 -1.22 -0.19 0.00 -2.02 0.00 0.00 58.31 54.88 3h3f n LYS 264 Cb 0.38 -1.26 0.07 0.00 -0.02 0.00 0.00 35.03 34.20 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 0.61 -3.20 0.07 4.39 5.15 -0.09 -4.89 115.26 117.31 3h3f n ASN 265 Ca 0.08 -0.72 -0.05 0.00 -0.60 0.00 0.00 54.58 53.29 3h3f n ASN 265 Cb 0.34 -4.78 -0.09 0.00 -0.53 0.00 0.00 39.78 34.73 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 -1.69 0.00 -1.16 1.20 3.38 -1.48 -3.45 115.31 112.12 3h3f h LEU 266 Ca -0.61 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.03 3h3f h LEU 266 Cb 1.34 0.00 0.13 0.00 0.09 0.00 0.00 40.66 42.22 3h3f h LEU 266 CO 0.50 0.91 -0.63 0.54 0.09 0.00 0.00 178.44 179.86 3h3f n ARG 267 N -3.35 -6.64 -2.23 1.13 1.74 0.13 -5.01 116.66 102.44 3h3f n ARG 267 Ca 0.00 0.74 -0.28 0.00 -0.77 0.00 0.00 57.85 57.54 3h3f n ARG 267 Cb 0.90 -5.48 0.03 0.00 -1.02 0.00 0.00 32.46 26.89 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 -5.83 3.01 -0.30 5.56 0.52 -1.17 -4.56 118.95 116.19 3h3f s ARG 268 Ca 0.34 0.20 -0.12 0.00 -0.52 0.00 0.00 55.73 55.64 3h3f s ARG 268 Cb -0.15 -2.20 -0.04 0.00 0.52 0.00 0.00 34.95 33.09 3h3f s ARG 268 CO 0.64 -0.74 0.20 0.08 0.02 0.00 0.00 175.30 175.51 3h3f s VAL 269 N -3.09 5.25 0.14 3.52 1.01 -1.26 0.22 120.40 126.20 3h3f s VAL 269 Ca 0.55 0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.62 3h3f s VAL 269 Cb -0.11 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 3h3f s VAL 269 CO 0.48 0.16 -0.20 -1.00 0.00 0.00 0.00 175.10 174.53 3h3f s HIS 270 N 1.74 1.87 -0.70 5.22 3.76 -0.08 -4.83 115.29 122.26 3h3f s HIS 270 Ca 0.07 -0.44 -0.22 0.00 -0.15 0.00 0.00 55.06 54.32 3h3f s HIS 270 Cb -0.16 -0.97 0.08 0.00 1.11 0.00 0.00 32.58 32.63 3h3f s HIS 270 CO 0.10 0.30 1.00 -1.25 -0.85 0.00 0.00 174.74 174.05 3h3f s PRO 271 N -2.44 3.18 0.22 8.40 0.04 -1.26 -0.16 135.00 142.98 3h3f s PRO 271 Ca 0.13 -0.93 0.02 0.00 0.04 0.00 0.00 61.00 60.25 3h3f s PRO 271 Cb -0.08 -4.33 -0.05 0.00 0.04 0.00 0.00 34.50 30.09 3h3f s PRO 271 CO 0.06 -1.83 0.06 0.96 0.04 0.00 0.00 177.00 176.29 3h3f s ILE 272 N 3.97 0.62 -0.20 0.56 -4.36 -0.93 -0.06 121.20 120.80 3h3f s ILE 272 Ca 0.24 -1.99 -0.26 0.00 -0.26 0.00 0.00 60.65 58.37 3h3f s ILE 272 Cb -0.15 -2.43 -0.01 0.00 1.25 0.00 0.00 42.46 41.13 3h3f s ILE 272 CO 0.08 -0.19 0.90 -0.44 0.24 0.00 0.00 174.94 175.52 3h3f s SER 273 N -3.26 6.98 0.11 4.36 0.01 -0.40 -3.07 113.70 118.42 3h3f s SER 273 Ca 0.32 1.21 -0.04 0.00 1.31 0.00 0.00 55.95 58.75 3h3f s SER 273 Cb 0.07 -2.48 -0.02 0.00 0.21 0.00 0.00 66.02 63.80 3h3f s SER 273 CO 0.10 -0.51 0.11 0.28 0.41 0.00 0.00 173.24 173.63 3h3f s THR 274 N 2.61 0.14 -0.42 1.44 -1.32 -0.63 -1.60 115.64 115.85 3h3f s THR 274 Ca 0.39 -1.61 -0.28 0.00 -1.21 0.00 0.00 61.69 58.98 3h3f s THR 274 Cb -0.16 -1.70 0.00 0.00 -1.51 0.00 0.00 72.50 69.14 3h3f s THR 274 CO 0.10 -0.62 1.50 -0.32 -2.21 0.00 0.00 174.62 173.06 3h3f s MET 275 N -3.95 3.46 -0.46 7.08 1.75 -1.26 -1.98 119.30 123.94 3h3f s MET 275 Ca 0.14 0.95 0.03 0.00 -1.25 0.00 0.00 55.69 55.56 3h3f s MET 275 Cb 0.06 -4.08 0.46 0.00 2.84 0.00 0.00 34.83 34.11 3h3f s MET 275 CO -0.05 -1.71 1.56 1.47 -0.65 0.00 0.00 175.02 175.65 3h3f n LEU 276 N 9.32 6.13 -4.74 4.11 -0.00 -0.62 -4.98 117.00 126.21 3h3f n LEU 276 Ca 0.17 -4.54 -0.42 0.00 -0.00 0.00 0.00 56.01 51.23 3h3f n LEU 276 Cb 0.48 -0.62 -0.02 0.00 -0.00 0.00 0.00 43.42 43.25 3h3f n LEU 276 CO 0.70 1.82 1.16 -1.59 -0.00 0.00 0.00 177.39 179.48 3h3f s LYS 277 N -3.69 4.23 0.00 1.47 -2.85 -1.25 -2.79 119.74 114.85 3h3f s LYS 277 Ca 0.57 2.36 0.00 0.00 -1.00 0.00 0.00 55.97 57.90 3h3f s LYS 277 Cb 0.45 -3.10 0.00 0.00 -2.06 0.00 0.00 37.83 33.12 3h3f s LYS 277 CO 0.02 -0.50 0.00 0.41 0.10 0.00 0.00 175.35 175.38 3h3f n GLY 278 N 2.53 3.09 3.99 0.59 0.00 -0.56 -5.03 105.19 109.81 3h3f n GLY 278 Ca 0.09 -0.91 -0.20 0.00 0.00 0.00 0.00 46.02 44.99 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 3.28 -1.21 0.99 1.43 -1.12 -4.52 118.68 117.53 3h3f s LEU 279 Ca 0.00 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 3h3f s LEU 279 Cb 0.00 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.72 3h3f s LEU 279 CO 0.00 -1.22 0.00 -1.22 0.23 0.00 0.00 176.35 174.14 3h3f n TYR 280 N -2.32 -0.35 -0.11 0.29 4.02 -1.26 -1.62 117.16 115.81 3h3f n TYR 280 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.99 3h3f n TYR 280 Cb 0.60 -2.40 0.00 0.00 -0.02 0.00 0.00 39.34 37.52 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 -0.15 2.22 3.73 2.72 0.00 -1.26 -4.89 105.19 107.57 3h3f n GLY 281 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.92 4.33 -0.66 -0.61 1.01 -0.64 -4.95 121.20 116.76 3h3f s ILE 282 Ca 0.00 2.03 0.06 0.00 0.00 0.00 0.00 60.65 62.73 3h3f s ILE 282 Cb 0.00 -4.29 0.03 0.00 0.01 0.00 0.00 42.46 38.21 3h3f s ILE 282 CO 0.00 0.35 0.62 0.29 0.00 0.00 0.00 174.94 176.20 3h3f n LYS 283 N 2.44 0.56 -4.40 2.79 4.76 -1.26 -1.49 118.16 121.56 3h3f n LYS 283 Ca 0.01 -0.73 -0.26 0.00 -2.87 0.00 0.00 58.31 54.47 3h3f n LYS 283 Cb 0.48 -1.06 -0.09 0.00 -1.84 0.00 0.00 35.03 32.52 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 -0.62 2.02 0.00 1.97 0.41 -1.26 -4.90 118.70 116.32 3h3f s GLU 284 Ca 0.06 -1.88 0.00 0.00 -0.41 0.00 0.00 54.97 52.74 3h3f s GLU 284 Cb 0.05 -1.83 0.00 0.00 -1.78 0.00 0.00 34.13 30.56 3h3f s GLU 284 CO 0.09 0.06 0.73 -0.25 -0.49 0.00 0.00 175.26 175.40 3h3f n ASP 285 N -0.97 1.99 -4.74 -0.19 9.92 -1.26 -3.84 116.55 117.47 3h3f n ASP 285 Ca -0.04 -1.41 -0.41 0.00 -0.53 0.00 0.00 54.79 52.40 3h3f n ASP 285 Cb 0.64 -0.41 -0.04 0.00 -0.64 0.00 0.00 41.12 40.67 3h3f n ASP 285 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3h3f s VAL 286 N 1.03 3.82 -0.10 2.53 0.11 -1.26 -4.85 120.40 121.68 3h3f s VAL 286 Ca 0.00 1.53 -0.23 0.00 -2.93 0.00 0.00 61.98 60.35 3h3f s VAL 286 Cb 0.00 -3.98 -0.03 0.00 -1.53 0.00 0.00 36.38 30.84 3h3f s VAL 286 CO 0.00 0.25 0.70 -0.36 -3.33 0.00 0.00 175.10 172.36 3h3f s PHE 287 N -0.07 3.52 0.39 1.54 2.99 -1.26 -1.60 117.98 123.49 3h3f s PHE 287 Ca 0.51 1.19 -0.11 0.00 0.00 0.00 0.00 56.93 58.52 3h3f s PHE 287 Cb -0.30 -2.83 0.04 0.00 0.00 0.00 0.00 43.02 39.94 3h3f s PHE 287 CO 0.35 0.01 0.71 -0.48 -0.00 0.00 0.00 175.22 175.81 3h3f s LEU 288 N 1.15 0.34 -0.09 -0.37 0.05 -0.84 -4.72 118.68 114.19 3h3f s LEU 288 Ca 0.36 -1.32 -0.23 0.00 0.05 0.00 0.00 54.13 52.99 3h3f s LEU 288 Cb -0.17 2.48 -0.03 0.00 -2.05 0.00 0.00 46.19 46.41 3h3f s LEU 288 CO 0.16 -1.63 0.71 -0.44 -0.55 0.00 0.00 176.35 174.60 3h3f s SER 289 N -3.14 6.95 0.04 1.48 0.01 -0.87 -1.60 113.70 116.58 3h3f s SER 289 Ca 0.20 1.15 -0.11 0.00 1.31 0.00 0.00 55.95 58.50 3h3f s SER 289 Cb -0.04 -2.41 0.01 0.00 0.21 0.00 0.00 66.02 63.79 3h3f s SER 289 CO 0.15 -0.17 0.25 0.54 0.41 0.00 0.00 173.24 174.42 3h3f s VAL 290 N 1.08 0.09 -0.14 3.43 0.11 -1.18 -1.35 120.40 122.44 3h3f s VAL 290 Ca 0.37 -0.78 -0.29 0.00 -2.93 0.00 0.00 61.98 58.35 3h3f s VAL 290 Cb -0.17 -0.90 -0.05 0.00 -1.53 0.00 0.00 36.38 33.72 3h3f s VAL 290 CO 0.17 -0.43 1.83 -2.84 -3.33 0.00 0.00 175.10 170.50 3h3f s PRO 291 N -2.49 3.77 -0.04 1.54 0.02 -1.26 -2.18 135.00 134.36 3h3f s PRO 291 Ca -0.05 2.02 0.06 0.00 0.02 0.00 0.00 61.00 63.04 3h3f s PRO 291 Cb -0.01 -4.13 -0.01 0.00 0.02 0.00 0.00 34.50 30.36 3h3f s PRO 291 CO -0.03 -1.34 -0.21 0.00 -0.33 0.00 0.00 177.00 175.09 3h3f s VAL 293 N -0.23 4.63 -0.08 0.00 1.01 -0.60 -0.90 120.40 124.23 3h3f s VAL 293 Ca 0.01 1.90 0.03 0.00 0.00 0.00 0.00 61.98 63.93 3h3f s VAL 293 Cb -0.11 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 3h3f s VAL 293 CO 0.01 0.05 -0.18 -0.22 0.00 0.00 0.00 175.10 174.76 3h3f s LEU 294 N 1.73 2.45 0.00 3.92 2.96 0.13 -2.92 118.68 126.95 3h3f s LEU 294 Ca 0.52 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 54.05 3h3f s LEU 294 Cb -0.21 -1.50 0.00 0.00 0.50 0.00 0.00 46.19 44.98 3h3f s LEU 294 CO 0.22 0.24 0.00 0.61 -1.32 0.00 0.00 176.35 176.10 3h3f n GLY 295 N 2.99 3.15 0.30 7.98 0.00 0.11 0.23 105.19 119.94 3h3f n GLY 295 Ca -0.18 -0.71 0.19 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.62 1.61 3.07 -1.75 -0.93 115.11 116.48 3h3f h GLN 296 Ca 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 58.65 58.44 3h3f h GLN 296 Cb 0.00 0.00 -0.18 0.00 0.08 0.00 0.00 27.48 27.38 3h3f h GLN 296 CO 0.00 0.01 0.22 0.09 0.09 0.00 0.00 178.83 179.25 3h3f n ASN 297 N -3.13 3.17 0.00 0.06 3.02 -1.26 -4.99 115.26 112.13 3h3f n ASN 297 Ca -0.01 -3.65 0.00 0.00 -0.03 0.00 0.00 54.58 50.89 3h3f n ASN 297 Cb 0.23 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 3h3f n ASN 297 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h3f n GLY 298 N -1.04 3.02 3.53 7.41 0.00 -0.36 -4.43 105.19 113.32 3h3f n GLY 298 Ca 0.43 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 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 5.00 -0.03 -0.61 1.01 -0.67 -0.72 121.20 125.19 3h3f s ILE 299 Ca 0.00 -0.06 0.10 0.00 0.00 0.00 0.00 60.65 60.69 3h3f s ILE 299 Cb 0.00 -3.44 -0.15 0.00 0.01 0.00 0.00 42.46 38.88 3h3f s ILE 299 CO 0.00 0.19 0.19 -1.54 0.00 0.00 0.00 174.94 173.78 3h3f n SER 300 N 5.03 2.65 -3.86 3.58 3.41 -1.15 -4.62 113.62 118.66 3h3f n SER 300 Ca -0.14 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.37 3h3f n SER 300 Cb 0.51 1.34 -0.06 0.00 -0.26 0.00 0.00 64.21 65.73 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 -3.36 -0.01 -0.06 4.04 1.11 -1.26 -5.04 116.67 112.09 3h3f s ASP 301 Ca -0.04 -0.68 0.05 0.00 0.18 0.00 0.00 52.55 52.06 3h3f s ASP 301 Cb 0.06 0.43 -0.00 0.00 1.07 0.00 0.00 42.92 44.47 3h3f s ASP 301 CO 0.42 -0.85 -0.20 -0.69 1.18 0.00 0.00 175.17 175.03 3h3f s VAL 302 N -3.90 1.70 0.19 -1.27 1.01 -1.26 -1.55 120.40 115.31 3h3f s VAL 302 Ca 0.10 -0.86 -0.28 0.00 0.00 0.00 0.00 61.98 60.95 3h3f s VAL 302 Cb 0.03 -1.45 -0.08 0.00 0.00 0.00 0.00 36.38 34.88 3h3f s VAL 302 CO -0.06 0.48 0.86 -0.69 0.00 0.00 0.00 175.10 175.69 3h3f s VAL 303 N 0.04 4.27 -0.70 2.92 1.01 0.14 -4.99 120.40 123.09 3h3f s VAL 303 Ca -0.06 1.89 -0.14 0.00 0.00 0.00 0.00 61.98 63.67 3h3f s VAL 303 Cb -0.13 -4.23 0.18 0.00 0.00 0.00 0.00 36.38 32.20 3h3f s VAL 303 CO 0.04 0.49 0.64 -0.54 0.00 0.00 0.00 175.10 175.72 3h3f s LYS 304 N -1.02 3.28 0.01 2.72 1.02 -1.26 -4.60 119.74 119.88 3h3f s LYS 304 Ca 0.39 -2.17 -0.30 0.00 0.02 0.00 0.00 55.97 53.90 3h3f s LYS 304 Cb -0.24 -4.32 -0.04 0.00 -0.52 0.00 0.00 37.83 32.71 3h3f s LYS 304 CO 0.29 -1.29 1.19 0.08 -0.92 0.00 0.00 175.35 174.70 3h3f s VAL 305 N 0.70 4.16 -0.31 3.17 1.01 -1.26 -4.98 120.40 122.89 3h3f s VAL 305 Ca 0.12 1.53 -0.29 0.00 0.00 0.00 0.00 61.98 63.34 3h3f s VAL 305 Cb -0.18 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.22 3h3f s VAL 305 CO -0.04 0.06 1.25 -0.89 0.00 0.00 0.00 175.10 175.48 3h3f s THR 306 N 1.60 4.21 0.23 3.92 2.01 -1.26 -5.00 115.64 121.34 3h3f s THR 306 Ca 0.57 1.36 0.02 0.00 0.31 0.00 0.00 61.69 63.96 3h3f s THR 306 Cb -0.27 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 67.98 3h3f s THR 306 CO 0.26 -0.51 0.38 -0.76 -0.69 0.00 0.00 174.62 173.30 3h3f s LEU 307 N 4.26 4.26 1.09 4.42 1.43 -1.26 -5.01 118.68 127.87 3h3f s LEU 307 Ca 0.54 0.22 -0.18 0.00 -1.03 0.00 0.00 54.13 53.69 3h3f s LEU 307 Cb -0.15 -3.01 0.25 0.00 0.03 0.00 0.00 46.19 43.31 3h3f s LEU 307 CO 0.22 -0.07 1.20 0.42 0.23 0.00 0.00 176.35 178.36 3h3f s THR 308 N -1.95 1.78 0.11 5.49 -4.23 -1.26 -4.75 115.64 110.84 3h3f s THR 308 Ca 0.36 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.66 3h3f s THR 308 Cb -0.10 -2.72 -0.10 0.00 1.34 0.00 0.00 72.50 70.92 3h3f s THR 308 CO 0.30 0.00 1.76 0.28 -0.54 0.00 0.00 174.62 176.42 3h3f h SER 309 N -2.15 0.15 0.79 3.99 0.02 -1.99 -0.99 113.55 113.37 3h3f h SER 309 Ca -0.45 -0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.38 3h3f h SER 309 Cb 1.27 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.75 3h3f h SER 309 CO 0.36 0.11 -0.57 1.05 -1.14 0.00 0.00 176.83 176.65 3h3f h GLU 310 N 0.18 0.00 0.07 3.45 9.09 -1.98 -0.55 114.58 124.84 3h3f h GLU 310 Ca 0.05 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.46 3h3f h GLU 310 Cb -0.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.08 3h3f h GLU 310 CO -0.01 0.57 -0.03 0.93 0.05 0.00 0.00 179.01 180.51 3h3f h GLU 311 N 0.00 -0.09 -0.78 1.06 5.08 -1.88 -0.56 114.58 117.41 3h3f h GLU 311 Ca -0.01 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.54 3h3f h GLU 311 Cb 1.12 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 30.27 3h3f h GLU 311 CO 0.07 -0.01 0.17 0.93 -1.00 0.00 0.00 179.01 179.17 3h3f h GLU 312 N -0.15 0.22 -0.89 2.33 5.08 -1.04 -0.44 114.58 119.69 3h3f h GLU 312 Ca -0.01 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3h3f h GLU 312 Cb 0.13 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 3h3f h GLU 312 CO 0.02 0.15 0.59 0.00 -1.00 0.00 0.00 179.01 178.76 3h3f h ALA 313 N 1.67 1.14 0.00 3.43 0.00 -0.74 -1.91 119.26 122.85 3h3f h ALA 313 Ca 0.45 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.20 3h3f h ALA 313 Cb 0.82 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3h3f h ALA 313 CO -0.57 0.52 -0.48 0.45 0.00 0.00 0.00 179.25 179.17 3h3f h HIS 314 N 1.20 0.00 -0.21 0.00 3.86 -0.11 -0.77 115.15 119.12 3h3f h HIS 314 Ca 0.33 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.43 3h3f h HIS 314 Cb -0.12 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.34 3h3f h HIS 314 CO -0.01 0.48 -0.29 1.25 0.86 0.00 0.00 177.93 180.23 3h3f h LEU 315 N 0.00 0.62 -0.63 2.43 5.85 -0.70 -2.14 115.31 120.73 3h3f h LEU 315 Ca -0.00 -0.51 -0.02 0.00 0.84 0.00 0.00 57.88 58.18 3h3f h LEU 315 Cb 1.23 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 3h3f h LEU 315 CO 0.06 1.01 0.30 0.50 -0.34 0.00 0.00 178.44 179.97 3h3f h LYS 316 N 0.25 0.91 -0.81 1.25 1.63 -1.18 0.10 116.57 118.72 3h3f h LYS 316 Ca 0.02 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 3h3f h LYS 316 Cb 0.86 -0.16 -0.04 0.00 -0.60 0.00 0.00 32.23 32.29 3h3f h LYS 316 CO 0.07 0.73 0.51 -0.22 -3.45 0.00 0.00 179.45 177.08 3h3f h LYS 317 N 0.87 1.08 -0.35 1.90 3.64 -1.08 0.25 116.57 122.88 3h3f h LYS 317 Ca 0.22 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.38 3h3f h LYS 317 Cb 0.12 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3h3f h LYS 317 CO -0.03 0.74 -0.30 1.03 -2.27 0.00 0.00 179.45 178.62 3h3f h SER 318 N 1.10 0.79 -0.73 4.20 0.87 -0.70 -1.17 113.55 117.91 3h3f h SER 318 Ca 0.29 -0.32 -0.06 0.00 -1.23 0.00 0.00 61.79 60.48 3h3f h SER 318 Cb -0.08 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.63 3h3f h SER 318 CO -0.06 1.04 0.23 0.00 -0.53 0.00 0.00 176.83 177.52 3h3f h ALA 319 N 1.01 0.96 0.18 6.23 0.00 -0.27 -2.80 119.26 124.56 3h3f h ALA 319 Ca 0.07 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3h3f h ALA 319 Cb 0.83 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3h3f h ALA 319 CO 0.07 0.63 -0.43 -0.44 0.00 0.00 0.00 179.25 179.08 3h3f h ASP 320 N 1.08 -1.25 -0.54 0.00 3.45 0.04 -1.26 116.42 117.94 3h3f h ASP 320 Ca 0.24 0.13 0.06 0.00 0.43 0.00 0.00 57.03 57.89 3h3f h ASP 320 Cb 0.30 0.46 -0.09 0.00 -0.56 0.00 0.00 39.33 39.44 3h3f h ASP 320 CO -0.01 -0.52 -0.55 0.74 -1.57 0.00 0.00 179.24 177.33 3h3f h THR 321 N -0.71 0.01 -0.72 0.35 2.02 -1.19 -1.93 112.91 110.74 3h3f h THR 321 Ca 0.01 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.15 3h3f h THR 321 Cb 0.71 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 3h3f h THR 321 CO -0.21 0.00 0.30 -0.07 0.37 0.00 0.00 175.52 175.91 3h3f h LEU 322 N -0.31 0.97 -1.67 2.58 3.38 -1.40 -2.69 115.31 116.17 3h3f h LEU 322 Ca 0.10 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3h3f h LEU 322 Cb 0.56 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3h3f h LEU 322 CO -0.67 0.85 -0.10 -0.25 0.09 0.00 0.00 178.44 178.36 3h3f h TRP 323 N 1.04 0.08 -0.55 1.13 2.91 -0.54 -0.07 115.95 119.96 3h3f h TRP 323 Ca 0.24 -0.00 0.10 0.00 1.13 0.00 0.00 58.89 60.35 3h3f h TRP 323 Cb 0.18 -0.03 -0.08 0.00 -0.51 0.00 0.00 29.16 28.73 3h3f h TRP 323 CO 0.02 0.19 0.12 0.78 -1.03 0.00 0.00 178.44 178.52 3h3f h GLY 324 N 0.46 0.69 1.85 2.65 0.00 -1.02 0.27 103.07 107.97 3h3f h GLY 324 Ca 0.02 -0.04 -0.22 0.00 0.00 0.00 0.00 47.33 47.09 3h3f h GLY 324 CO 0.01 -0.08 -1.03 -2.22 0.00 0.00 0.00 176.54 173.23 3h3f h ILE 325 N 0.26 1.60 -0.45 2.60 5.03 -1.54 -3.36 117.51 121.66 3h3f h ILE 325 Ca 0.28 -3.10 -0.14 0.00 -0.12 0.00 0.00 64.86 61.78 3h3f h ILE 325 Cb 0.39 2.77 -0.01 0.00 -3.03 0.00 0.00 36.82 36.93 3h3f h ILE 325 CO -0.35 0.89 -0.25 1.56 -0.68 0.00 0.00 178.15 179.33 3h3f h GLN 326 N 0.04 0.96 0.00 2.37 4.20 -0.48 -3.02 115.11 119.19 3h3f h GLN 326 Ca -0.05 -0.43 -0.01 0.00 0.06 0.00 0.00 58.65 58.21 3h3f h GLN 326 Cb 1.74 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 29.50 3h3f h GLN 326 CO 0.15 1.10 -0.06 1.57 -0.67 0.00 0.00 178.83 180.92 3h3f h LYS 327 N 0.80 0.00 0.00 1.46 5.09 -1.10 -2.61 116.57 120.22 3h3f h LYS 327 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.84 3h3f h LYS 327 Cb 0.83 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.16 3h3f h LYS 327 CO 0.07 0.06 0.00 0.39 -2.09 0.00 0.00 179.45 177.88 3h3f n GLU 328 N -3.56 0.41 -3.41 0.07 1.02 -1.14 -4.73 120.64 109.29 3h3f n GLU 328 Ca -0.02 0.01 -0.39 0.00 -0.02 0.00 0.00 57.16 56.74 3h3f n GLU 328 Cb 0.17 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.00 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 -2.57 4.11 0.11 -4.62 1.43 -0.99 -5.05 118.68 111.10 3h3f s LEU 329 Ca 0.27 0.16 0.11 0.00 -1.03 0.00 0.00 54.13 53.64 3h3f s LEU 329 Cb 0.19 -2.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 3h3f s LEU 329 CO 0.44 -0.20 -0.27 0.00 0.23 0.00 0.00 176.35 176.55 3h3f s GLN 330 N 2.03 1.49 0.00 1.70 -2.07 -1.26 -5.06 119.66 116.49 3h3f s GLN 330 Ca 0.14 -1.29 0.00 0.00 -1.82 0.00 0.00 55.36 52.39 3h3f s GLN 330 Cb -0.16 -1.90 0.00 0.00 -1.09 0.00 0.00 33.01 29.86 3h3f s GLN 330 CO 0.10 0.46 0.48 1.19 -1.32 0.00 0.00 175.29 176.21