#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t2e n PRO 19 N 0.00 0.13 -0.81 0.00 -0.02 -1.26 -4.89 135.00 128.15 1t2e n PRO 19 Ca 0.00 0.05 -0.33 0.00 -2.02 0.00 0.00 63.50 61.20 1t2e n PRO 19 Cb 0.00 -1.12 0.13 0.00 -0.02 0.00 0.00 33.50 32.50 1t2e n PRO 19 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1t2e n LYS 20 N 1.14 -0.27 -1.87 -0.52 5.02 -1.26 -4.93 118.16 115.46 1t2e n LYS 20 Ca 0.12 -0.03 -0.38 0.00 -2.02 0.00 0.00 58.31 56.00 1t2e n LYS 20 Cb 0.39 -2.06 0.04 0.00 -0.02 0.00 0.00 35.03 33.38 1t2e n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1t2e s ALA 21 N -2.42 2.76 -0.22 7.82 0.00 -1.26 -4.79 121.76 123.66 1t2e s ALA 21 Ca 0.62 1.23 -0.07 0.00 0.00 0.00 0.00 51.96 53.74 1t2e s ALA 21 Cb -0.23 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.33 1t2e s ALA 21 CO 0.63 -1.28 0.05 0.21 0.00 0.00 0.00 175.76 175.37 1t2e s LYS 22 N -2.97 3.73 -0.21 0.00 2.20 -1.26 -0.58 119.74 120.65 1t2e s LYS 22 Ca 0.72 -0.46 0.02 0.00 -0.36 0.00 0.00 55.97 55.89 1t2e s LYS 22 Cb -0.37 -3.21 0.03 0.00 -1.51 0.00 0.00 37.83 32.77 1t2e s LYS 22 CO 0.43 0.00 -0.17 0.42 -0.36 0.00 0.00 175.35 175.68 1t2e s ILE 23 N 1.08 2.11 -0.21 5.43 1.01 0.92 0.05 121.20 131.59 1t2e s ILE 23 Ca 0.04 -1.19 -0.07 0.00 0.00 0.00 0.00 60.65 59.42 1t2e s ILE 23 Cb -0.14 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 1t2e s ILE 23 CO 0.03 0.33 0.06 -0.69 0.00 0.00 0.00 174.94 174.67 1t2e s VAL 24 N 1.22 4.55 -0.54 2.92 1.01 0.13 -0.96 120.40 128.73 1t2e s VAL 24 Ca -0.00 -0.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.70 1t2e s VAL 24 Cb -0.16 -3.08 0.12 0.00 0.00 0.00 0.00 36.38 33.26 1t2e s VAL 24 CO -0.10 0.41 0.54 -0.76 0.00 0.00 0.00 175.10 175.19 1t2e s LEU 25 N 0.90 5.90 -0.61 3.92 1.43 0.11 -0.44 118.68 129.88 1t2e s LEU 25 Ca 0.04 -1.63 -0.25 0.00 -1.03 0.00 0.00 54.13 51.26 1t2e s LEU 25 Cb -0.14 -2.24 0.05 0.00 0.03 0.00 0.00 46.19 43.89 1t2e s LEU 25 CO 0.03 -0.90 1.03 -0.69 0.23 0.00 0.00 176.35 176.05 1t2e s VAL 26 N 1.90 4.22 0.00 -1.59 1.01 0.45 -1.14 120.40 125.25 1t2e s VAL 26 Ca 0.06 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1t2e s VAL 26 Cb -0.28 -4.66 0.00 0.00 0.00 0.00 0.00 36.38 31.44 1t2e s VAL 26 CO 0.04 -1.36 0.00 0.61 0.00 0.00 0.00 175.10 174.40 1t2e n GLY 27 N 5.21 2.79 2.24 4.51 0.00 0.27 -0.81 105.19 119.39 1t2e n GLY 27 Ca 0.01 -1.08 -0.20 0.00 0.00 0.00 0.00 46.02 44.76 1t2e n GLY 27 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t2e n SER 28 N 0.00 4.20 -0.22 1.61 7.64 -1.11 -4.37 113.62 121.36 1t2e n SER 28 Ca 0.00 -3.40 0.00 0.00 1.01 0.00 0.00 58.87 56.48 1t2e n SER 28 Cb 0.00 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 1t2e n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t2e n GLY 29 N -0.65 1.46 0.14 0.23 0.00 -1.26 -4.52 105.19 100.59 1t2e n GLY 29 Ca 0.36 -1.59 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 1t2e n GLY 29 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1t2e h MET 30 N 0.00 0.37 -0.44 1.61 2.86 -1.99 -0.46 114.93 116.89 1t2e h MET 30 Ca 0.00 -0.15 -0.06 0.00 -2.06 0.00 0.00 59.70 57.43 1t2e h MET 30 Cb 0.00 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1t2e h MET 30 CO 0.00 0.65 0.04 0.82 1.06 0.00 0.00 176.91 179.49 1t2e h ILE 31 N 0.07 1.25 -0.71 -1.22 2.04 -1.93 -2.70 117.51 114.31 1t2e h ILE 31 Ca 0.04 -0.95 0.11 0.00 1.00 0.00 0.00 64.86 65.06 1t2e h ILE 31 Cb 0.53 1.01 -0.08 0.00 -0.74 0.00 0.00 36.82 37.54 1t2e h ILE 31 CO 0.02 0.33 0.33 1.23 0.00 0.00 0.00 178.15 180.06 1t2e h GLY 32 N 0.59 1.06 1.03 5.37 0.00 -1.73 0.10 103.07 109.50 1t2e h GLY 32 Ca 0.13 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 1t2e h GLY 32 CO 0.01 0.01 0.21 -1.33 0.00 0.00 0.00 176.54 175.44 1t2e h GLY 33 N 0.54 1.11 1.42 4.60 0.00 -0.83 -0.17 103.07 109.73 1t2e h GLY 33 Ca 0.36 -0.66 -0.19 0.00 0.00 0.00 0.00 47.33 46.84 1t2e h GLY 33 CO -0.31 0.62 -0.68 -2.08 0.00 0.00 0.00 176.54 174.09 1t2e h VAL 35 N 0.97 1.33 -0.56 4.60 2.07 -1.07 -2.05 116.25 121.53 1t2e h VAL 35 Ca 0.21 -1.97 0.03 0.00 0.82 0.00 0.00 66.70 65.79 1t2e h VAL 35 Cb 0.30 1.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 1t2e h VAL 35 CO -0.01 0.61 0.34 0.24 0.02 0.00 0.00 177.57 178.77 1t2e h MET 36 N 0.42 0.64 -0.45 1.57 2.86 -0.48 -0.46 114.93 119.03 1t2e h MET 36 Ca -0.02 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1t2e h MET 36 Cb 1.27 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.74 1t2e h MET 36 CO 0.13 0.43 0.22 0.00 1.06 0.00 0.00 176.91 178.74 1t2e h ALA 37 N 1.25 0.56 -0.49 6.32 0.00 -0.88 0.57 119.26 126.58 1t2e h ALA 37 Ca 0.23 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.25 1t2e h ALA 37 Cb 0.04 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 1t2e h ALA 37 CO -0.10 -0.14 0.05 1.15 0.00 0.00 0.00 179.25 180.21 1t2e h THR 38 N 0.43 0.67 -0.01 0.00 2.02 -0.81 -2.41 112.91 112.81 1t2e h THR 38 Ca 0.20 -0.06 -0.17 0.00 0.77 0.00 0.00 66.41 67.15 1t2e h THR 38 Cb 0.11 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1t2e h THR 38 CO -0.15 0.03 -0.76 -0.07 0.37 0.00 0.00 175.52 174.95 1t2e h LEU 39 N 0.17 0.10 -0.58 2.58 3.38 -0.50 -0.48 115.31 119.98 1t2e h LEU 39 Ca 0.25 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1t2e h LEU 39 Cb 0.36 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1t2e h LEU 39 CO -0.37 0.82 0.19 0.40 0.09 0.00 0.00 178.44 179.57 1t2e h ILE 40 N 0.05 1.24 -0.30 1.22 2.04 -0.66 -0.11 117.51 120.99 1t2e h ILE 40 Ca -0.02 -0.80 -0.08 0.00 1.00 0.00 0.00 64.86 64.96 1t2e h ILE 40 Cb 1.34 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1t2e h ILE 40 CO 0.11 0.30 -0.12 0.58 0.00 0.00 0.00 178.15 179.02 1t2e h VAL 41 N 0.81 1.29 -0.96 1.67 2.07 -1.16 0.27 116.25 120.24 1t2e h VAL 41 Ca 0.19 -1.20 0.17 0.00 0.82 0.00 0.00 66.70 66.67 1t2e h VAL 41 Cb 0.28 1.45 -0.09 0.00 -1.52 0.00 0.00 31.29 31.41 1t2e h VAL 41 CO -0.01 0.38 0.61 1.56 0.02 0.00 0.00 177.57 180.13 1t2e h GLN 42 N 0.36 0.71 -0.08 1.57 1.08 -0.72 -0.71 115.11 117.33 1t2e h GLN 42 Ca 0.07 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1t2e h GLN 42 Cb 0.63 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 1t2e h GLN 42 CO 0.04 0.47 0.00 1.63 -0.95 0.00 0.00 178.83 180.02 1t2e n LYS 43 N -4.64 2.06 -3.95 1.46 5.02 -0.09 -4.96 118.16 113.06 1t2e n LYS 43 Ca 0.20 -1.55 -0.30 0.00 -2.02 0.00 0.00 58.31 54.64 1t2e n LYS 43 Cb 0.53 -1.47 0.02 0.00 -0.02 0.00 0.00 35.03 34.09 1t2e n LYS 43 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1t2e n ASN 44 N 0.85 -4.17 0.13 4.39 5.15 0.76 -4.89 115.26 117.48 1t2e n ASN 44 Ca 0.17 -0.82 0.01 0.00 -0.60 0.00 0.00 54.58 53.33 1t2e n ASN 44 Cb 0.49 -3.70 0.04 0.00 -0.53 0.00 0.00 39.78 36.08 1t2e n ASN 44 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1t2e h LEU 45 N -1.98 0.00 0.00 1.20 3.38 -1.28 -3.49 115.31 113.15 1t2e h LEU 45 Ca -0.59 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1t2e h LEU 45 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1t2e h LEU 45 CO 0.68 0.57 0.00 0.61 0.09 0.00 0.00 178.44 180.39 1t2e n GLY 46 N 1.12 -0.06 3.78 0.83 0.00 -1.26 -4.45 105.19 105.15 1t2e n GLY 46 Ca 0.01 -1.17 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 1t2e n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1t2e s ASP 47 N 0.00 6.46 -0.06 1.61 1.01 0.26 -4.59 116.67 121.36 1t2e s ASP 47 Ca 0.00 2.10 0.05 0.00 0.71 0.00 0.00 52.55 55.41 1t2e s ASP 47 Cb 0.00 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 1t2e s ASP 47 CO 0.00 -0.71 -0.21 -0.69 0.21 0.00 0.00 175.17 173.77 1t2e s VAL 49 N -1.70 1.78 -0.18 -1.27 1.01 0.67 -0.05 120.40 120.66 1t2e s VAL 49 Ca 0.62 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1t2e s VAL 49 Cb -0.23 -1.52 -0.00 0.00 0.00 0.00 0.00 36.38 34.63 1t2e s VAL 49 CO 0.28 0.50 -0.11 -0.69 0.00 0.00 0.00 175.10 175.08 1t2e s VAL 50 N -0.01 2.97 -0.49 2.92 1.01 -0.14 -0.90 120.40 125.77 1t2e s VAL 50 Ca -0.06 -0.65 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 1t2e s VAL 50 Cb -0.13 -2.29 0.07 0.00 0.00 0.00 0.00 36.38 34.02 1t2e s VAL 50 CO 0.04 0.48 0.49 -0.76 0.00 0.00 0.00 175.10 175.35 1t2e s LEU 51 N 1.02 5.34 -0.14 3.92 1.43 0.61 0.04 118.68 130.90 1t2e s LEU 51 Ca -0.01 -1.15 -0.06 0.00 -1.03 0.00 0.00 54.13 51.89 1t2e s LEU 51 Cb -0.15 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 1t2e s LEU 51 CO -0.02 -0.75 0.07 0.12 0.23 0.00 0.00 176.35 176.01 1t2e s PHE 52 N 2.06 3.34 0.16 0.29 5.36 -0.29 0.41 117.98 129.32 1t2e s PHE 52 Ca 0.09 0.26 -0.15 0.00 -0.96 0.00 0.00 56.93 56.16 1t2e s PHE 52 Cb -0.22 -1.96 0.02 0.00 -0.34 0.00 0.00 43.02 40.52 1t2e s PHE 52 CO 0.09 0.42 0.43 0.34 -1.46 0.00 0.00 175.22 175.04 1t2e s ASP 53 N -0.39 -0.18 0.33 6.13 -1.08 -0.49 -0.57 116.67 120.42 1t2e s ASP 53 Ca 0.10 -0.50 0.21 0.00 -0.52 0.00 0.00 52.55 51.84 1t2e s ASP 53 Cb -0.12 0.51 0.18 0.00 -1.46 0.00 0.00 42.92 42.03 1t2e s ASP 53 CO 0.02 -0.94 1.39 0.16 0.52 0.00 0.00 175.17 176.31 1t2e h ILE 54 N 2.34 0.15 -2.74 4.11 3.07 -1.93 -3.39 117.51 119.11 1t2e h ILE 54 Ca -0.31 -1.22 -0.55 0.00 1.55 0.00 0.00 64.86 64.32 1t2e h ILE 54 Cb 1.25 1.92 -0.01 0.00 -0.27 0.00 0.00 36.82 39.71 1t2e h ILE 54 CO 0.43 0.08 0.99 -0.69 -1.05 0.00 0.00 178.15 177.92 1t2e s VAL 55 N -3.20 3.74 0.27 0.16 1.01 -1.26 -4.94 120.40 116.18 1t2e s VAL 55 Ca 0.04 0.97 -0.30 0.00 0.00 0.00 0.00 61.98 62.68 1t2e s VAL 55 Cb 0.07 -3.62 -0.13 0.00 0.00 0.00 0.00 36.38 32.70 1t2e s VAL 55 CO 0.72 -0.07 1.45 1.17 0.00 0.00 0.00 175.10 178.38 1t2e n LYS 56 N 6.59 2.25 0.00 2.72 3.00 -1.26 -3.79 118.16 127.67 1t2e n LYS 56 Ca 0.16 0.80 0.00 0.00 -0.00 0.00 0.00 58.31 59.27 1t2e n LYS 56 Cb 0.43 -2.49 0.00 0.00 0.00 0.00 0.00 35.03 32.98 1t2e n LYS 56 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1t2e n ASN 57 N 1.98 0.00 -0.29 3.14 3.02 -1.26 -4.75 115.26 117.10 1t2e n ASN 57 Ca 0.10 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.66 1t2e n ASN 57 Cb 0.34 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.58 1t2e n ASN 57 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 1t2e h MET 58 N 0.00 -0.03 -0.39 3.52 4.05 -1.99 -0.76 114.93 119.33 1t2e h MET 58 Ca 0.00 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1t2e h MET 58 Cb 0.00 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.79 1t2e h MET 58 CO 0.00 -0.02 0.17 -1.00 0.23 0.00 0.00 176.91 176.29 1t2e h PRO 59 N -0.03 0.54 -0.64 0.39 0.13 -1.86 0.10 132.00 130.64 1t2e h PRO 59 Ca 0.36 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 65.35 1t2e h PRO 59 Cb 0.60 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.60 1t2e h PRO 59 CO -0.85 0.44 0.08 0.45 -0.23 0.00 0.00 178.00 177.89 1t2e h HIS 60 N 0.54 1.15 -0.11 1.56 3.86 -1.48 0.33 115.15 120.99 1t2e h HIS 60 Ca 0.14 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1t2e h HIS 60 Cb 0.09 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 28.25 1t2e h HIS 60 CO 0.00 0.98 0.03 0.78 0.86 0.00 0.00 177.93 180.58 1t2e h GLY 61 N 1.03 0.20 1.17 2.45 0.00 -0.09 -0.81 103.07 107.02 1t2e h GLY 61 Ca 0.19 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.36 1t2e h GLY 61 CO 0.02 0.12 0.30 0.50 0.00 0.00 0.00 176.54 177.47 1t2e h LYS 62 N -0.02 1.06 -0.44 4.80 1.57 -0.73 -1.85 116.57 120.95 1t2e h LYS 62 Ca 0.04 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1t2e h LYS 62 Cb 0.26 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1t2e h LYS 62 CO 0.00 0.85 0.16 0.00 -0.57 0.00 0.00 179.45 179.89 1t2e h ALA 63 N 1.29 0.58 0.35 3.86 0.00 -0.23 -0.69 119.26 124.42 1t2e h ALA 63 Ca 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1t2e h ALA 63 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1t2e h ALA 63 CO -0.02 0.20 -0.28 1.25 0.00 0.00 0.00 179.25 180.40 1t2e h LEU 64 N 0.57 -0.74 -0.33 0.00 5.85 -0.90 0.38 115.31 120.14 1t2e h LEU 64 Ca 0.15 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.99 1t2e h LEU 64 Cb 0.22 0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.41 1t2e h LEU 64 CO -0.01 -0.42 -0.33 -0.78 -0.34 0.00 0.00 178.44 176.56 1t2e h ASP 65 N -0.64 -1.06 -0.63 1.25 3.58 -1.27 -1.92 116.42 115.73 1t2e h ASP 65 Ca -0.03 0.18 0.01 0.00 0.42 0.00 0.00 57.03 57.61 1t2e h ASP 65 Cb 0.56 0.49 -0.03 0.00 1.72 0.00 0.00 39.33 42.07 1t2e h ASP 65 CO -0.01 -0.33 0.42 0.74 -2.88 0.00 0.00 179.24 177.17 1t2e h THR 66 N -0.29 1.14 -0.29 2.25 2.02 -0.77 -2.73 112.91 114.24 1t2e h THR 66 Ca 0.15 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 1t2e h THR 66 Cb 0.54 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1t2e h THR 66 CO -0.49 0.15 0.14 0.77 0.37 0.00 0.00 175.52 176.46 1t2e h SER 67 N 0.83 0.35 0.47 4.18 4.64 0.58 -0.27 113.55 124.32 1t2e h SER 67 Ca 0.23 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 1t2e h SER 67 Cb -0.06 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 61.94 1t2e h SER 67 CO -0.05 0.31 -0.05 0.45 -0.87 0.00 0.00 176.83 176.62 1t2e h HIS 68 N 0.40 0.00 0.00 4.77 3.86 -1.33 -2.39 115.15 120.46 1t2e h HIS 68 Ca 0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1t2e h HIS 68 Cb 0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1t2e h HIS 68 CO 0.00 0.05 0.00 0.25 0.86 0.00 0.00 177.93 179.09 1t2e n THR 69 N -3.29 0.96 -0.22 2.45 -2.24 -0.11 -1.96 114.28 109.86 1t2e n THR 69 Ca -0.01 0.25 0.19 0.00 -2.27 0.00 0.00 64.05 62.20 1t2e n THR 69 Cb 0.21 -1.07 0.52 0.00 -2.10 0.00 0.00 70.33 67.89 1t2e n THR 69 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1t2e h ASN 70 N 0.00 0.38 0.29 3.42 2.35 -1.58 0.17 115.58 120.62 1t2e h ASN 70 Ca 0.00 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1t2e h ASN 70 Cb 0.28 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1t2e h ASN 70 CO 0.00 0.16 -0.14 0.58 -1.65 0.00 0.00 177.43 176.38 1t2e h VAL 71 N 0.39 0.70 0.00 2.81 2.07 -1.63 -0.35 116.25 120.23 1t2e h VAL 71 Ca 0.44 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 1t2e h VAL 71 Cb 1.11 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1t2e h VAL 71 CO -0.15 0.13 -0.13 0.24 0.02 0.00 0.00 177.57 177.67 1t2e h MET 72 N -0.78 0.00 0.00 1.57 2.86 -1.58 -2.91 114.93 114.10 1t2e h MET 72 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1t2e h MET 72 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1t2e h MET 72 CO 0.07 0.13 -0.49 0.00 1.06 0.00 0.00 176.91 177.68 1t2e n ALA 73 N -2.47 3.45 -3.03 6.32 0.00 0.55 -4.93 120.51 120.40 1t2e n ALA 73 Ca -0.03 -0.33 -0.20 0.00 0.00 0.00 0.00 53.44 52.88 1t2e n ALA 73 Cb 0.21 -1.14 0.04 0.00 0.00 0.00 0.00 19.45 18.56 1t2e n ALA 73 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1t2e n TYR 73 N -1.54 -1.90 -3.83 0.00 4.02 -0.28 -5.00 117.16 108.61 1t2e n TYR 73 Ca 0.05 0.54 -0.23 0.00 -0.01 0.00 0.00 57.90 58.26 1t2e n TYR 73 Cb 0.34 -4.22 0.00 0.00 -0.02 0.00 0.00 39.34 35.44 1t2e n TYR 73 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1t2e n SER 74 N -2.13 2.52 -2.95 7.72 7.64 -0.38 -5.04 113.62 121.00 1t2e n SER 74 Ca -0.08 -2.63 -0.15 0.00 1.01 0.00 0.00 58.87 57.02 1t2e n SER 74 Cb 0.60 -0.03 0.01 0.00 -1.01 0.00 0.00 64.21 63.77 1t2e n SER 74 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1t2e n ASN 75 N -1.85 -1.29 -4.37 6.43 5.15 -1.26 -4.67 115.26 113.39 1t2e n ASN 75 Ca -0.02 -3.15 -0.34 0.00 -0.60 0.00 0.00 54.58 50.47 1t2e n ASN 75 Cb 0.54 0.73 -0.14 0.00 -0.53 0.00 0.00 39.78 40.38 1t2e n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1t2e s LYS 77 N 0.76 4.02 -0.13 0.00 1.02 -1.26 -4.86 119.74 119.30 1t2e s LYS 77 Ca -0.03 1.93 -0.01 0.00 0.02 0.00 0.00 55.97 57.88 1t2e s LYS 77 Cb -0.15 -2.70 0.03 0.00 -0.52 0.00 0.00 37.83 34.49 1t2e s LYS 77 CO 0.02 -0.37 -0.04 0.08 -0.92 0.00 0.00 175.35 174.11 1t2e s VAL 78 N -1.36 0.89 0.09 3.17 1.01 -1.26 -0.23 120.40 122.70 1t2e s VAL 78 Ca 0.57 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 62.26 1t2e s VAL 78 Cb -0.33 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 1t2e s VAL 78 CO 0.42 0.21 -0.19 -0.44 0.00 0.00 0.00 175.10 175.10 1t2e s SER 79 N 1.75 2.27 0.38 3.32 0.01 -0.08 -4.57 113.70 116.78 1t2e s SER 79 Ca 0.03 -0.66 0.02 0.00 1.31 0.00 0.00 55.95 56.65 1t2e s SER 79 Cb -0.14 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 65.96 1t2e s SER 79 CO -0.07 0.02 0.57 -0.83 0.41 0.00 0.00 173.24 173.34 1t2e s GLY 80 N -1.83 1.49 -0.17 3.44 0.00 -1.26 -0.28 107.32 108.71 1t2e s GLY 80 Ca 0.04 -1.12 -0.17 0.00 0.00 0.00 0.00 44.72 43.46 1t2e s GLY 80 CO 0.04 -1.01 0.48 -0.45 0.00 0.00 0.00 173.10 172.15 1t2e s SER 81 N -4.15 -0.49 -0.17 1.64 0.15 0.17 -4.79 113.70 106.06 1t2e s SER 81 Ca 0.44 0.92 0.14 0.00 0.70 0.00 0.00 55.95 58.16 1t2e s SER 81 Cb -0.10 0.94 0.36 0.00 -1.71 0.00 0.00 66.02 65.51 1t2e s SER 81 CO 0.35 -0.19 1.19 0.59 1.20 0.00 0.00 173.24 176.38 1t2e n ASN 83 N 2.69 1.91 -3.90 5.45 5.03 -1.26 -1.39 115.26 123.78 1t2e n ASN 83 Ca -0.14 -3.51 -0.28 0.00 0.87 0.00 0.00 54.58 51.52 1t2e n ASN 83 Cb 0.57 -0.48 -0.17 0.00 -1.02 0.00 0.00 39.78 38.68 1t2e n ASN 83 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1t2e s THR 84 N -2.95 1.13 0.47 3.41 2.01 -1.26 -4.96 115.64 113.48 1t2e s THR 84 Ca 0.35 -0.58 0.22 0.00 0.31 0.00 0.00 61.69 61.98 1t2e s THR 84 Cb 0.33 -1.27 0.40 0.00 0.01 0.00 0.00 72.50 71.97 1t2e s THR 84 CO -0.03 0.18 1.92 1.88 -0.69 0.00 0.00 174.62 177.88 1t2e h TYR 85 N 8.12 0.29 0.00 4.92 -1.99 -1.95 -0.21 116.97 126.15 1t2e h TYR 85 Ca -0.26 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.48 1t2e h TYR 85 Cb 1.11 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 39.76 1t2e h TYR 85 CO 0.46 0.09 0.00 -0.25 -0.00 0.00 0.00 178.16 178.46 1t2e n ASP 86 N -4.42 0.00 0.00 3.88 8.00 -1.26 -1.43 116.55 121.32 1t2e n ASP 86 Ca 0.15 0.08 0.08 0.00 0.71 0.00 0.00 54.79 55.81 1t2e n ASP 86 Cb 0.67 -0.29 0.47 0.00 -0.02 0.00 0.00 41.12 41.96 1t2e n ASP 86 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1t2e n ASP 87 N -1.29 0.00 0.23 -2.24 8.00 -0.09 -1.39 116.55 119.77 1t2e n ASP 87 Ca 0.07 -0.31 0.16 0.00 0.71 0.00 0.00 54.79 55.42 1t2e n ASP 87 Cb 0.13 -0.11 0.67 0.00 -0.02 0.00 0.00 41.12 41.78 1t2e n ASP 87 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1t2e h LEU 88 N 0.00 0.00 -9.61 0.64 3.38 -1.46 -3.45 115.31 104.81 1t2e h LEU 88 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 1t2e h LEU 88 Cb 0.06 0.00 0.08 0.00 0.09 0.00 0.00 40.66 40.89 1t2e h LEU 88 CO 0.00 0.00 0.69 0.00 0.09 0.00 0.00 178.44 179.22 1t2e n ALA 89 N -1.98 1.42 -0.95 1.53 0.00 -0.49 -1.34 120.51 118.71 1t2e n ALA 89 Ca 0.01 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1t2e n ALA 89 Cb 0.25 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.38 1t2e n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t2e n GLY 90 N 2.37 0.88 3.77 0.00 0.00 -1.24 -4.99 105.19 105.99 1t2e n GLY 90 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1t2e n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t2e s ALA 91 N -3.49 3.60 -0.19 4.61 0.00 -0.45 -4.65 121.76 121.19 1t2e s ALA 91 Ca 0.00 1.53 0.08 0.00 0.00 0.00 0.00 51.96 53.57 1t2e s ALA 91 Cb 0.00 -3.60 -0.22 0.00 0.00 0.00 0.00 23.12 19.30 1t2e s ALA 91 CO 0.00 -0.98 0.08 -0.25 0.00 0.00 0.00 175.76 174.61 1t2e n ASP 92 N 0.88 1.13 -3.99 0.00 9.92 0.11 -4.27 116.55 120.33 1t2e n ASP 92 Ca 0.02 0.03 -0.18 0.00 -0.53 0.00 0.00 54.79 54.14 1t2e n ASP 92 Cb 0.39 0.09 -0.15 0.00 -0.64 0.00 0.00 41.12 40.81 1t2e n ASP 92 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1t2e s VAL 93 N -2.52 0.63 -0.08 2.53 1.01 -0.90 -1.05 120.40 120.00 1t2e s VAL 93 Ca -0.20 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1t2e s VAL 93 Cb 0.07 -0.54 0.01 0.00 0.00 0.00 0.00 36.38 35.92 1t2e s VAL 93 CO 0.74 0.19 -0.17 -0.69 0.00 0.00 0.00 175.10 175.16 1t2e s VAL 94 N -0.02 1.54 -0.17 2.92 1.01 0.50 -0.69 120.40 125.49 1t2e s VAL 94 Ca 0.01 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1t2e s VAL 94 Cb -0.05 -1.37 0.03 0.00 0.00 0.00 0.00 36.38 34.99 1t2e s VAL 94 CO -0.00 0.45 -0.16 -0.63 0.00 0.00 0.00 175.10 174.76 1t2e s ILE 95 N 0.57 1.78 -0.39 2.22 1.01 0.41 -0.36 121.20 126.44 1t2e s ILE 95 Ca -0.15 -0.83 -0.09 0.00 0.00 0.00 0.00 60.65 59.57 1t2e s ILE 95 Cb -0.17 -1.68 0.06 0.00 0.01 0.00 0.00 42.46 40.68 1t2e s ILE 95 CO 0.05 0.43 0.22 -0.69 0.00 0.00 0.00 174.94 174.95 1t2e s VAL 96 N 1.39 4.29 -0.88 2.92 1.01 0.13 -0.41 120.40 128.85 1t2e s VAL 96 Ca 0.04 -1.18 0.07 0.00 0.00 0.00 0.00 61.98 60.91 1t2e s VAL 96 Cb -0.14 -3.52 0.07 0.00 0.00 0.00 0.00 36.38 32.79 1t2e s VAL 96 CO -0.11 -0.37 0.77 0.35 0.00 0.00 0.00 175.10 175.74 1t2e n THR 97 N 4.93 0.08 -1.63 3.92 -2.24 0.01 0.10 114.28 119.46 1t2e n THR 97 Ca -0.11 -0.54 -0.49 0.00 -2.27 0.00 0.00 64.05 60.64 1t2e n THR 97 Cb 0.44 1.10 -0.05 0.00 -2.10 0.00 0.00 70.33 69.72 1t2e n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1t2e n ALA 98 N 0.39 0.20 0.00 6.98 0.00 -0.49 -4.63 120.51 122.96 1t2e n ALA 98 Ca 0.05 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1t2e n ALA 98 Cb 0.20 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.44 1t2e n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t2e n GLY 99 N 2.93 0.47 3.40 0.00 0.00 -1.26 -4.72 105.19 106.01 1t2e n GLY 99 Ca 0.17 -1.47 -0.30 0.00 0.00 0.00 0.00 46.02 44.42 1t2e n GLY 99 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1t2e s PHE 100 N -3.68 2.39 -0.13 1.61 0.40 -1.26 -5.04 117.98 112.28 1t2e s PHE 100 Ca 0.00 -0.35 0.18 0.00 -0.60 0.00 0.00 56.93 56.15 1t2e s PHE 100 Cb 0.00 -1.37 -0.23 0.00 0.51 0.00 0.00 43.02 41.94 1t2e s PHE 100 CO 0.00 0.23 0.45 0.25 0.70 0.00 0.00 175.22 176.86 1t2e n THR 101 N 1.41 1.12 -4.17 0.64 -2.24 -1.26 -4.78 114.28 105.00 1t2e n THR 101 Ca -0.17 -0.74 -0.18 0.00 -2.27 0.00 0.00 64.05 60.70 1t2e n THR 101 Cb 0.52 -0.55 -0.12 0.00 -2.10 0.00 0.00 70.33 68.09 1t2e n THR 101 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1t2e s LYS 102 N -2.82 0.79 0.14 -0.78 -0.14 -1.26 -4.98 119.74 110.70 1t2e s LYS 102 Ca -0.07 -0.92 -0.06 0.00 -1.36 0.00 0.00 55.97 53.57 1t2e s LYS 102 Cb 0.08 -0.78 -0.06 0.00 -1.68 0.00 0.00 37.83 35.40 1t2e s LYS 102 CO 0.84 0.17 0.39 0.00 -0.76 0.00 0.00 175.35 175.99 1t2e s ALA 103 N -1.25 3.77 0.49 5.17 0.00 -1.26 -5.01 121.76 123.66 1t2e s ALA 103 Ca -0.03 -0.52 -0.24 0.00 0.00 0.00 0.00 51.96 51.18 1t2e s ALA 103 Cb -0.10 -2.16 -0.07 0.00 0.00 0.00 0.00 23.12 20.79 1t2e s ALA 103 CO 0.02 0.65 1.36 -2.30 0.00 0.00 0.00 175.76 175.48 1t2e n PRO 103 N 0.20 1.92 -0.08 0.00 -0.02 -1.26 -1.15 135.00 134.61 1t2e n PRO 103 Ca -0.03 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1t2e n PRO 103 Cb 0.52 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1t2e n PRO 103 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t2e n GLY 103 N 0.72 0.00 3.76 -1.23 0.00 -1.26 -4.87 105.19 102.31 1t2e n GLY 103 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1t2e n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t2e s LYS 103 N -0.16 4.19 1.06 1.61 -0.14 -0.30 -5.05 119.74 120.95 1t2e s LYS 103 Ca 0.00 0.36 -0.14 0.00 -1.36 0.00 0.00 55.97 54.83 1t2e s LYS 103 Cb 0.00 -3.37 0.22 0.00 -1.68 0.00 0.00 37.83 33.00 1t2e s LYS 103 CO 0.00 0.35 1.10 -1.54 -0.76 0.00 0.00 175.35 174.49 1t2e s SER 103 N 0.05 2.09 0.21 2.83 1.04 -1.26 -4.79 113.70 113.87 1t2e s SER 103 Ca 0.23 1.03 -0.06 0.00 0.48 0.00 0.00 55.95 57.63 1t2e s SER 103 Cb -0.15 -1.59 0.18 0.00 0.10 0.00 0.00 66.02 64.55 1t2e s SER 103 CO 0.10 -3.44 1.66 0.44 0.98 0.00 0.00 173.24 172.97 1t2e h ASP 105 N -2.11 0.88 -0.00 7.02 3.32 -1.96 -2.26 116.42 121.30 1t2e h ASP 105 Ca -0.53 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.25 1t2e h ASP 105 Cb 1.33 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.64 1t2e h ASP 105 CO 0.52 1.00 0.00 0.07 -1.72 0.00 0.00 179.24 179.11 1t2e h LYS 105 N 0.80 0.00 -0.55 3.56 5.09 -1.95 -2.00 116.57 121.51 1t2e h LYS 105 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.87 1t2e h LYS 105 Cb 0.62 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.95 1t2e h LYS 105 CO 0.04 0.00 0.00 0.39 -2.09 0.00 0.00 179.45 177.79 1t2e n GLU 106 N -4.05 2.57 -1.68 0.07 1.02 -0.88 -4.97 120.64 112.72 1t2e n GLU 106 Ca -0.03 -2.41 -0.51 0.00 -0.02 0.00 0.00 57.16 54.18 1t2e n GLU 106 Cb 0.08 -1.54 -0.06 0.00 -0.02 0.00 0.00 31.44 29.91 1t2e n GLU 106 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 1t2e n TRP 107 N 1.53 2.22 -3.71 -0.32 -0.00 -0.76 -4.90 117.44 111.49 1t2e n TRP 107 Ca 0.22 0.18 -0.18 0.00 -0.00 0.00 0.00 57.50 57.71 1t2e n TRP 107 Cb 0.60 -2.60 -0.17 0.00 -0.00 0.00 0.00 31.31 29.14 1t2e n TRP 107 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1t2e s ASN 108 N 4.08 0.75 0.54 5.87 3.84 -1.26 -4.97 114.94 123.79 1t2e s ASN 108 Ca 0.95 0.06 0.24 0.00 0.21 0.00 0.00 52.86 54.33 1t2e s ASN 108 Cb -0.82 -0.12 1.41 0.00 -0.55 0.00 0.00 41.25 41.17 1t2e s ASN 108 CO 0.56 -0.20 2.03 0.03 -2.79 0.00 0.00 177.10 176.73 1t2e h ARG 109 N 8.01 0.00 -0.24 0.43 3.08 -1.94 -1.36 114.38 122.37 1t2e h ARG 109 Ca -0.25 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.80 1t2e h ARG 109 Cb 1.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 1t2e h ARG 109 CO 0.27 0.00 0.14 -0.44 -1.07 0.00 0.00 179.97 178.88 1t2e h ASP 110 N 0.00 0.28 0.65 7.04 5.19 -1.95 -1.35 116.42 126.28 1t2e h ASP 110 Ca 0.19 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1t2e h ASP 110 Cb 0.79 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.23 1t2e h ASP 110 CO -0.00 0.22 0.00 0.47 -3.12 0.00 0.00 179.24 176.81 1t2e n ASP 111 N -4.48 0.18 0.10 6.45 8.00 -0.51 -1.96 116.55 124.32 1t2e n ASP 111 Ca 0.01 0.54 0.13 0.00 0.71 0.00 0.00 54.79 56.17 1t2e n ASP 111 Cb 0.08 -0.58 0.32 0.00 -0.02 0.00 0.00 41.12 40.93 1t2e n ASP 111 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1t2e h LEU 112 N 0.00 0.00 -0.24 0.64 3.38 -1.36 -3.38 115.31 114.35 1t2e h LEU 112 Ca 0.00 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 57.96 1t2e h LEU 112 Cb 0.33 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 1t2e h LEU 112 CO 0.00 0.03 -0.06 0.25 0.09 0.00 0.00 178.44 178.75 1t2e h LEU 113 N 0.00 -0.22 -2.04 1.67 6.46 -1.52 0.16 115.31 119.83 1t2e h LEU 113 Ca 0.00 0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.81 1t2e h LEU 113 Cb 0.75 0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.83 1t2e h LEU 113 CO 0.00 -0.08 -0.09 -0.65 -0.62 0.00 0.00 178.44 177.00 1t2e h PRO 114 N 0.00 0.00 0.00 5.25 0.11 -1.81 -2.39 132.00 133.17 1t2e h PRO 114 Ca 0.12 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.07 1t2e h PRO 114 Cb 0.18 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.26 1t2e h PRO 114 CO -0.25 0.09 -1.11 -0.07 -0.21 0.00 0.00 178.00 176.45 1t2e h LEU 115 N 0.00 0.00 -0.15 2.35 3.38 -1.24 -3.40 115.31 116.25 1t2e h LEU 115 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1t2e h LEU 115 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1t2e h LEU 115 CO 0.01 0.61 -0.32 0.59 0.09 0.00 0.00 178.44 179.43 1t2e n ASN 116 N -3.04 0.51 0.03 -0.43 3.02 -0.73 -4.71 115.26 109.91 1t2e n ASN 116 Ca -0.06 -0.76 -0.13 0.00 -0.03 0.00 0.00 54.58 53.61 1t2e n ASN 116 Cb 0.83 0.88 -0.08 0.00 -0.61 0.00 0.00 39.78 40.80 1t2e n ASN 116 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1t2e h ASN 117 N 0.19 -0.04 0.29 6.41 7.08 -1.75 -2.13 115.58 125.63 1t2e h ASN 117 Ca 0.00 -0.22 -0.05 0.00 -3.08 0.00 0.00 56.30 52.95 1t2e h ASN 117 Cb 0.20 0.01 -0.01 0.00 -2.08 0.00 0.00 38.32 36.44 1t2e h ASN 117 CO 0.00 0.20 -0.22 0.11 -2.08 0.00 0.00 177.43 175.44 1t2e h LYS 118 N -0.28 0.00 -0.13 4.14 1.79 -1.85 -2.38 116.57 117.85 1t2e h LYS 118 Ca -0.00 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 1t2e h LYS 118 Cb 0.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1t2e h LYS 118 CO 0.01 0.22 -0.37 0.82 -1.08 0.00 0.00 179.45 179.05 1t2e h ILE 119 N 0.00 1.37 -0.52 1.86 2.04 -1.73 -2.49 117.51 118.03 1t2e h ILE 119 Ca -0.00 -1.66 0.03 0.00 1.00 0.00 0.00 64.86 64.23 1t2e h ILE 119 Cb 0.42 2.07 -0.04 0.00 -0.74 0.00 0.00 36.82 38.54 1t2e h ILE 119 CO 0.03 0.50 0.30 0.24 0.00 0.00 0.00 178.15 179.22 1t2e h MET 120 N 0.09 0.59 -0.14 2.37 2.86 -0.89 -1.39 114.93 118.41 1t2e h MET 120 Ca -0.01 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1t2e h MET 120 Cb 0.98 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.48 1t2e h MET 120 CO 0.08 0.39 -0.06 0.82 1.06 0.00 0.00 176.91 179.19 1t2e h ILE 121 N 0.60 0.79 -0.63 -1.22 2.04 -1.44 0.20 117.51 117.86 1t2e h ILE 121 Ca 0.21 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.08 1t2e h ILE 121 Cb 0.04 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1t2e h ILE 121 CO -0.10 0.00 0.41 -0.08 0.00 0.00 0.00 178.15 178.38 1t2e h GLU 122 N -0.05 0.81 -0.58 2.37 4.81 -1.25 -1.52 114.58 119.17 1t2e h GLU 122 Ca 0.08 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 1t2e h GLU 122 Cb 0.16 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1t2e h GLU 122 CO -0.17 0.54 -0.02 0.82 -0.73 0.00 0.00 179.01 179.44 1t2e h ILE 123 N 0.83 1.27 -0.95 2.32 2.04 -1.04 -2.03 117.51 119.95 1t2e h ILE 123 Ca 0.24 -1.17 0.05 0.00 1.00 0.00 0.00 64.86 64.98 1t2e h ILE 123 Cb -0.07 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 36.80 1t2e h ILE 123 CO -0.06 0.42 0.61 1.23 0.00 0.00 0.00 178.15 180.35 1t2e h GLY 124 N 0.93 1.42 1.15 5.37 0.00 -0.14 0.30 103.07 112.11 1t2e h GLY 124 Ca 0.16 -0.45 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 1t2e h GLY 124 CO 0.03 0.35 0.22 -1.33 0.00 0.00 0.00 176.54 175.81 1t2e h GLY 125 N 1.14 1.15 1.49 4.60 0.00 -0.91 0.08 103.07 110.63 1t2e h GLY 125 Ca 0.40 -0.66 -0.14 0.00 0.00 0.00 0.00 47.33 46.93 1t2e h GLY 125 CO -0.15 0.62 -0.43 0.45 0.00 0.00 0.00 176.54 177.03 1t2e h HIS 126 N 1.03 0.66 -0.45 5.60 -0.00 -0.52 -1.97 115.15 119.50 1t2e h HIS 126 Ca 0.23 -0.20 -0.09 0.00 -0.00 0.00 0.00 60.37 60.31 1t2e h HIS 126 Cb 0.29 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.55 1t2e h HIS 126 CO 0.02 0.89 -0.06 0.82 -0.00 0.00 0.00 177.93 179.60 1t2e h ILE 127 N 0.45 1.27 -0.76 2.45 2.04 0.05 0.20 117.51 123.22 1t2e h ILE 127 Ca 0.03 -1.15 -0.01 0.00 1.00 0.00 0.00 64.86 64.73 1t2e h ILE 127 Cb 0.93 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 1t2e h ILE 127 CO 0.08 0.39 0.42 0.50 0.00 0.00 0.00 178.15 179.55 1t2e h LYS 128 N 0.67 1.04 -0.10 2.37 3.64 -0.78 0.16 116.57 123.58 1t2e h LYS 128 Ca 0.12 -0.11 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 1t2e h LYS 128 Cb 0.59 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1t2e h LYS 128 CO 0.04 0.76 -0.50 -0.22 -2.27 0.00 0.00 179.45 177.25 1t2e h LYS 129 N 1.05 0.51 0.01 1.90 3.64 -1.14 -3.37 116.57 119.18 1t2e h LYS 129 Ca 0.27 -0.42 -0.36 0.00 -1.27 0.00 0.00 60.65 58.86 1t2e h LYS 129 Cb 0.02 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.86 1t2e h LYS 129 CO -0.04 1.05 -2.27 0.09 -2.27 0.00 0.00 179.45 176.01 1t2e n ASN 130 N -4.23 0.84 -2.97 4.20 3.02 0.69 -4.75 115.26 112.06 1t2e n ASN 130 Ca -0.08 0.05 -0.14 0.00 -0.03 0.00 0.00 54.58 54.38 1t2e n ASN 130 Cb 0.60 0.30 0.02 0.00 -0.61 0.00 0.00 39.78 40.09 1t2e n ASN 130 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1t2e h PRO 132 N 3.16 0.00 -0.63 0.00 0.13 -1.62 -0.48 132.00 132.56 1t2e h PRO 132 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1t2e h PRO 132 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1t2e h PRO 132 CO 0.34 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.20 1t2e n ASN 132 N -2.61 3.78 -4.80 1.44 5.03 -1.26 -4.69 115.26 112.14 1t2e n ASN 132 Ca -0.01 -1.99 -0.32 0.00 0.87 0.00 0.00 54.58 53.12 1t2e n ASN 132 Cb 0.12 -0.42 0.02 0.00 -1.02 0.00 0.00 39.78 38.48 1t2e n ASN 132 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1t2e s ALA 133 N -1.11 2.69 -0.13 5.41 0.00 -0.19 -5.00 121.76 123.42 1t2e s ALA 133 Ca 0.45 0.37 -0.18 0.00 0.00 0.00 0.00 51.96 52.60 1t2e s ALA 133 Cb 0.24 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 1t2e s ALA 133 CO 0.32 -0.94 0.47 0.12 0.00 0.00 0.00 175.76 175.73 1t2e s PHE 134 N -2.52 3.49 -0.08 0.00 5.36 -0.22 -4.89 117.98 119.12 1t2e s PHE 134 Ca 0.63 0.85 0.02 0.00 -0.96 0.00 0.00 56.93 57.48 1t2e s PHE 134 Cb -0.16 -2.55 -0.02 0.00 -0.34 0.00 0.00 43.02 39.94 1t2e s PHE 134 CO 0.40 0.13 -0.15 0.42 -1.46 0.00 0.00 175.22 174.56 1t2e s ILE 135 N 0.76 2.96 -0.17 3.12 -1.09 0.40 -0.37 121.20 126.80 1t2e s ILE 135 Ca 0.25 -0.74 0.01 0.00 -2.23 0.00 0.00 60.65 57.94 1t2e s ILE 135 Cb -0.15 -2.18 0.03 0.00 -1.58 0.00 0.00 42.46 38.57 1t2e s ILE 135 CO 0.10 0.56 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.58 1t2e s ILE 136 N -0.28 1.83 -0.15 2.92 1.01 0.51 -1.19 121.20 125.85 1t2e s ILE 136 Ca 0.02 -0.86 -0.12 0.00 0.00 0.00 0.00 60.65 59.68 1t2e s ILE 136 Cb -0.13 -1.72 -0.05 0.00 0.01 0.00 0.00 42.46 40.58 1t2e s ILE 136 CO 0.03 0.44 0.23 -0.69 0.00 0.00 0.00 174.94 174.95 1t2e s VAL 137 N 1.37 5.34 -0.03 2.92 1.01 0.49 0.22 120.40 131.71 1t2e s VAL 137 Ca 0.04 0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.44 1t2e s VAL 137 Cb -0.14 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1t2e s VAL 137 CO -0.11 0.45 -0.02 0.52 0.00 0.00 0.00 175.10 175.94 1t2e n VAL 138 N 3.18 0.20 -1.56 2.92 0.31 0.12 -0.94 118.33 122.56 1t2e n VAL 138 Ca -0.14 -0.09 -0.53 0.00 -0.01 0.00 0.00 64.34 63.57 1t2e n VAL 138 Cb 0.52 -0.72 -0.06 0.00 -0.91 0.00 0.00 33.84 32.68 1t2e n VAL 138 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1t2e n THR 139 N -2.45 0.24 -2.90 2.52 -1.04 -1.06 -4.52 114.28 105.06 1t2e n THR 139 Ca -0.06 -0.06 -0.32 0.00 -2.04 0.00 0.00 64.05 61.58 1t2e n THR 139 Cb 0.57 -0.60 -0.05 0.00 -1.82 0.00 0.00 70.33 68.44 1t2e n THR 139 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1t2e s ASN 140 N 0.23 6.66 -0.28 8.00 0.02 -1.26 -3.04 114.94 125.26 1t2e s ASN 140 Ca 0.83 1.28 -0.29 0.00 -1.02 0.00 0.00 52.86 53.66 1t2e s ASN 140 Cb -1.01 -2.38 0.00 0.00 0.02 0.00 0.00 41.25 37.88 1t2e s ASN 140 CO 0.51 -0.35 1.24 -2.16 0.02 0.00 0.00 177.10 176.36 1t2e s PRO 141 N -3.50 4.02 0.29 -0.60 0.04 -1.25 -4.45 135.00 129.54 1t2e s PRO 141 Ca 0.54 1.29 -0.03 0.00 0.04 0.00 0.00 61.00 62.85 1t2e s PRO 141 Cb -0.10 -3.82 0.40 0.00 0.04 0.00 0.00 34.50 31.02 1t2e s PRO 141 CO 0.25 -0.98 1.93 -0.24 0.04 0.00 0.00 177.00 178.00 1t2e h VAL 142 N 5.81 1.22 0.00 -0.36 3.04 -1.77 0.12 116.25 124.31 1t2e h VAL 142 Ca -0.25 -0.48 -0.07 0.00 -1.01 0.00 0.00 66.70 64.89 1t2e h VAL 142 Cb 1.09 0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 30.45 1t2e h VAL 142 CO 1.02 0.23 -0.34 0.44 -1.01 0.00 0.00 177.57 177.91 1t2e h ASP 143 N 1.10 0.00 0.16 3.17 3.32 -1.88 0.22 116.42 122.50 1t2e h ASP 143 Ca 0.29 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.13 1t2e h ASP 143 Cb -0.05 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.53 1t2e h ASP 143 CO -0.05 0.34 -0.90 0.58 -1.72 0.00 0.00 179.24 177.49 1t2e h VAL 144 N 0.00 1.49 -0.14 -1.35 2.07 -1.61 -3.29 116.25 113.42 1t2e h VAL 144 Ca -0.00 -2.56 -0.11 0.00 0.82 0.00 0.00 66.70 64.84 1t2e h VAL 144 Cb 0.76 3.19 -0.01 0.00 -1.52 0.00 0.00 31.29 33.70 1t2e h VAL 144 CO 0.04 0.73 -0.42 0.24 0.02 0.00 0.00 177.57 178.19 1t2e h MET 145 N -0.31 0.32 -0.38 1.57 2.86 -0.71 -2.07 114.93 116.21 1t2e h MET 145 Ca -0.16 -0.16 -0.06 0.00 -2.06 0.00 0.00 59.70 57.27 1t2e h MET 145 Cb 1.71 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.35 1t2e h MET 145 CO 0.17 0.69 -0.00 -0.24 1.06 0.00 0.00 176.91 178.58 1t2e h VAL 146 N 0.27 1.26 -0.30 -2.22 3.04 -0.71 -0.49 116.25 117.09 1t2e h VAL 146 Ca 0.02 -1.00 -0.06 0.00 -1.01 0.00 0.00 66.70 64.65 1t2e h VAL 146 Cb 0.85 1.16 -0.02 0.00 -2.01 0.00 0.00 31.29 31.27 1t2e h VAL 146 CO 0.07 0.33 -0.09 -0.61 -1.01 0.00 0.00 177.57 176.27 1t2e h GLN 147 N 0.49 0.50 -0.40 4.17 4.15 -1.53 0.17 115.11 122.66 1t2e h GLN 147 Ca 0.11 -0.13 -0.06 0.00 0.77 0.00 0.00 58.65 59.33 1t2e h GLN 147 Cb 0.47 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 1t2e h GLN 147 CO 0.02 0.59 0.00 1.25 -1.93 0.00 0.00 178.83 178.76 1t2e h LEU 148 N 0.47 0.69 -0.53 -2.39 5.85 -1.11 0.50 115.31 118.79 1t2e h LEU 148 Ca 0.09 -0.31 -0.11 0.00 0.84 0.00 0.00 57.88 58.40 1t2e h LEU 148 Cb 0.44 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1t2e h LEU 148 CO 0.02 0.83 -0.09 0.25 -0.34 0.00 0.00 178.44 179.12 1t2e h LEU 149 N 0.54 0.99 -0.49 2.25 5.85 -0.78 -1.97 115.31 121.69 1t2e h LEU 149 Ca 0.11 -0.35 0.09 0.00 0.84 0.00 0.00 57.88 58.57 1t2e h LEU 149 Cb 0.47 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 1t2e h LEU 149 CO 0.02 1.10 0.08 -0.74 -0.34 0.00 0.00 178.44 178.56 1t2e h HIS 150 N 0.86 0.11 -0.19 1.25 2.76 -0.08 0.24 115.15 120.09 1t2e h HIS 150 Ca 0.14 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.26 1t2e h HIS 150 Cb 0.65 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.62 1t2e h HIS 150 CO 0.05 -0.03 -0.24 1.96 -1.30 0.00 0.00 177.93 178.37 1t2e h GLN 151 N 0.20 0.35 0.00 5.26 4.20 -0.64 -2.29 115.11 122.20 1t2e h GLN 151 Ca 0.25 -0.12 -0.13 0.00 0.06 0.00 0.00 58.65 58.71 1t2e h GLN 151 Cb 0.34 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 1t2e h GLN 151 CO -0.34 0.57 -1.20 0.45 -0.67 0.00 0.00 178.83 177.64 1t2e h HIS 152 N 0.32 0.00 0.00 2.96 3.86 -0.96 -3.32 115.15 118.01 1t2e h HIS 152 Ca 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1t2e h HIS 152 Cb 0.60 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1t2e h HIS 152 CO 0.01 0.45 -0.52 0.66 0.86 0.00 0.00 177.93 179.39 1t2e h SER 153 N 0.00 0.00 0.00 2.45 4.64 -0.48 -3.32 113.55 116.84 1t2e h SER 153 Ca -0.11 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1t2e h SER 153 Cb 1.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 1t2e h SER 153 CO 0.04 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 1t2e n GLY 154 N 1.14 0.60 3.78 -0.77 0.00 -0.87 -3.95 105.19 105.12 1t2e n GLY 154 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1t2e n GLY 154 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1t2e s VAL 155 N -2.68 3.20 0.68 1.61 -7.23 -1.26 -4.99 120.40 109.73 1t2e s VAL 155 Ca 0.00 0.75 -0.17 0.00 -1.81 0.00 0.00 61.98 60.75 1t2e s VAL 155 Cb 0.00 -3.30 -0.02 0.00 0.56 0.00 0.00 36.38 33.62 1t2e s VAL 155 CO 0.00 -0.16 0.88 -2.65 -0.31 0.00 0.00 175.10 172.86 1t2e n PRO 156 N -1.27 0.58 0.29 4.82 -0.02 -1.26 -4.88 135.00 133.26 1t2e n PRO 156 Ca 0.11 0.24 0.18 0.00 -2.02 0.00 0.00 63.50 62.02 1t2e n PRO 156 Cb 0.51 -2.12 0.83 0.00 -0.02 0.00 0.00 33.50 32.69 1t2e n PRO 156 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1t2e h LYS 157 N -0.06 0.00 -0.01 -0.52 2.10 -1.94 -0.55 116.57 115.59 1t2e h LYS 157 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1t2e h LYS 157 Cb 1.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.68 1t2e h LYS 157 CO 0.47 0.01 0.00 0.27 -2.00 0.00 0.00 179.45 178.20 1t2e n ASN 158 N -3.12 0.75 -0.70 7.07 6.94 -1.26 -3.68 115.26 121.26 1t2e n ASN 158 Ca -0.00 -1.26 0.07 0.00 -0.02 0.00 0.00 54.58 53.36 1t2e n ASN 158 Cb 0.24 -0.00 0.19 0.00 -2.36 0.00 0.00 39.78 37.85 1t2e n ASN 158 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1t2e n LYS 159 N -0.41 2.88 -3.74 -3.83 4.76 -0.21 -0.37 118.16 117.23 1t2e n LYS 159 Ca 0.21 -2.32 -0.13 0.00 -2.87 0.00 0.00 58.31 53.20 1t2e n LYS 159 Cb 0.23 -1.47 -0.10 0.00 -1.84 0.00 0.00 35.03 31.85 1t2e n LYS 159 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 1t2e s ILE 160 N -1.67 0.01 0.20 -0.18 2.07 -1.24 -0.45 121.20 119.94 1t2e s ILE 160 Ca 0.29 -0.05 -0.08 0.00 -1.41 0.00 0.00 60.65 59.39 1t2e s ILE 160 Cb 0.20 -0.56 -0.01 0.00 0.13 0.00 0.00 42.46 42.22 1t2e s ILE 160 CO 0.13 -0.03 0.31 0.27 -1.91 0.00 0.00 174.94 173.71 1t2e s ILE 161 N 0.01 0.03 0.10 2.00 -4.36 -0.33 -4.75 121.20 113.90 1t2e s ILE 161 Ca -0.02 -1.54 0.09 0.00 -0.26 0.00 0.00 60.65 58.92 1t2e s ILE 161 Cb -0.03 -2.12 -0.04 0.00 1.25 0.00 0.00 42.46 41.52 1t2e s ILE 161 CO 0.01 -0.13 -0.19 -0.83 0.24 0.00 0.00 174.94 174.04 1t2e s GLY 162 N -3.03 1.66 0.23 6.27 0.00 0.02 -0.38 107.32 112.08 1t2e s GLY 162 Ca 0.24 -1.33 -0.30 0.00 0.00 0.00 0.00 44.72 43.34 1t2e s GLY 162 CO 0.06 -1.29 1.20 -2.27 0.00 0.00 0.00 173.10 170.80 1t2e s LEU 163 N -1.98 4.47 0.00 0.66 2.96 -0.12 -0.51 118.68 124.17 1t2e s LEU 163 Ca 0.17 2.32 0.00 0.00 -0.22 0.00 0.00 54.13 56.40 1t2e s LEU 163 Cb -0.10 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.97 1t2e s LEU 163 CO 0.09 -0.35 0.00 0.61 -1.32 0.00 0.00 176.35 175.38 1t2e n GLY 164 N 1.74 -2.17 0.32 7.98 0.00 -1.26 -4.76 105.19 107.05 1t2e n GLY 164 Ca 0.02 0.68 0.02 0.00 0.00 0.00 0.00 46.02 46.75 1t2e n GLY 164 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1t2e h GLY 165 N 0.00 0.77 1.00 -0.02 0.00 -1.75 0.14 103.07 103.21 1t2e h GLY 165 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1t2e h GLY 165 CO 0.00 0.28 0.38 -2.08 0.00 0.00 0.00 176.54 175.12 1t2e h VAL 166 N 0.74 1.20 -0.01 4.60 2.07 -1.79 0.30 116.25 123.36 1t2e h VAL 166 Ca 0.20 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1t2e h VAL 166 Cb -0.08 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 1t2e h VAL 166 CO -0.04 0.21 -0.04 0.25 0.02 0.00 0.00 177.57 177.97 1t2e h LEU 167 N 0.89 0.05 -0.69 2.57 5.85 -1.51 -1.83 115.31 120.64 1t2e h LEU 167 Ca 0.23 -0.66 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 1t2e h LEU 167 Cb 0.01 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1t2e h LEU 167 CO -0.04 0.70 0.39 0.44 -0.34 0.00 0.00 178.44 179.58 1t2e h ASP 168 N -0.60 0.86 1.04 1.25 3.45 -0.71 -1.53 116.42 120.19 1t2e h ASP 168 Ca -0.00 -0.09 -0.01 0.00 0.43 0.00 0.00 57.03 57.35 1t2e h ASP 168 Cb 0.69 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 39.24 1t2e h ASP 168 CO 0.01 0.70 -0.06 0.71 -1.57 0.00 0.00 179.24 179.03 1t2e h THR 169 N 0.95 0.15 -0.01 0.35 1.35 -0.47 -2.55 112.91 112.68 1t2e h THR 169 Ca 0.24 -0.70 -0.09 0.00 -0.55 0.00 0.00 66.41 65.31 1t2e h THR 169 Cb 0.03 1.60 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 1t2e h THR 169 CO -0.04 0.06 -0.44 0.77 -0.25 0.00 0.00 175.52 175.62 1t2e h SER 170 N 0.00 0.02 0.11 5.36 4.64 -0.38 0.23 113.55 123.53 1t2e h SER 170 Ca -0.00 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1t2e h SER 170 Cb 0.60 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1t2e h SER 170 CO 0.01 0.46 -0.05 0.03 -0.87 0.00 0.00 176.83 176.40 1t2e h ARG 171 N 0.02 -0.15 -0.41 4.77 3.08 -1.30 0.29 114.38 120.68 1t2e h ARG 171 Ca -0.00 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1t2e h ARG 171 Cb 0.78 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 1t2e h ARG 171 CO 0.06 0.23 0.22 1.25 -1.07 0.00 0.00 179.97 180.65 1t2e h LEU 172 N -0.55 0.51 -0.32 3.04 5.85 -1.17 0.20 115.31 122.88 1t2e h LEU 172 Ca -0.02 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1t2e h LEU 172 Cb 0.44 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1t2e h LEU 172 CO 0.03 0.46 0.19 0.11 -0.34 0.00 0.00 178.44 178.89 1t2e h LYS 173 N 0.52 0.39 -0.14 1.25 1.57 -0.53 -1.78 116.57 117.85 1t2e h LYS 173 Ca 0.14 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1t2e h LYS 173 Cb 0.07 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1t2e h LYS 173 CO -0.02 0.26 0.08 -0.92 -0.57 0.00 0.00 179.45 178.27 1t2e h TYR 174 N 0.40 0.18 -0.86 -1.35 3.20 0.18 -0.75 116.97 117.97 1t2e h TYR 174 Ca 0.12 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 1t2e h TYR 174 Cb -0.02 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.15 1t2e h TYR 174 CO -0.07 0.17 0.43 1.88 -1.64 0.00 0.00 178.16 178.93 1t2e h TYR 175 N 0.14 1.22 -0.53 -3.82 0.99 -0.51 -1.15 116.97 113.32 1t2e h TYR 175 Ca 0.05 -0.05 -0.12 0.00 2.00 0.00 0.00 58.73 60.61 1t2e h TYR 175 Cb 0.04 -0.38 -0.02 0.00 1.00 0.00 0.00 36.73 37.37 1t2e h TYR 175 CO -0.05 0.87 -0.13 0.82 -0.00 0.00 0.00 178.16 179.67 1t2e h ILE 176 N 1.22 1.27 -0.15 -2.88 2.04 -1.21 -2.65 117.51 115.15 1t2e h ILE 176 Ca 0.30 -1.29 -0.03 0.00 1.00 0.00 0.00 64.86 64.83 1t2e h ILE 176 Cb 0.10 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1t2e h ILE 176 CO -0.04 0.45 -0.04 0.77 0.00 0.00 0.00 178.15 179.29 1t2e h SER 177 N 0.90 0.20 0.11 1.72 4.64 -0.46 -0.56 113.55 120.11 1t2e h SER 177 Ca 0.13 -0.03 -0.18 0.00 -0.47 0.00 0.00 61.79 61.25 1t2e h SER 177 Cb 0.70 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1t2e h SER 177 CO 0.05 0.28 -0.65 1.56 -0.87 0.00 0.00 176.83 177.21 1t2e h GLN 178 N 0.22 0.51 -0.30 4.77 1.08 -0.98 0.24 115.11 120.64 1t2e h GLN 178 Ca 0.05 -0.37 -0.15 0.00 -1.45 0.00 0.00 58.65 56.73 1t2e h GLN 178 Cb 0.22 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 1t2e h GLN 178 CO 0.01 0.99 -0.41 -0.22 -0.95 0.00 0.00 178.83 178.25 1t2e h LYS 179 N 0.37 0.74 -0.01 1.46 1.63 -1.02 -3.19 116.57 116.55 1t2e h LYS 179 Ca -0.01 -0.39 0.00 0.00 -0.85 0.00 0.00 60.65 59.40 1t2e h LYS 179 Cb 1.21 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 1t2e h LYS 179 CO 0.12 1.01 -0.30 1.28 -3.45 0.00 0.00 179.45 178.11 1t2e n LEU 180 N -4.04 1.58 -3.42 5.20 4.77 -0.29 -4.96 117.00 115.85 1t2e n LEU 180 Ca -0.02 -0.52 -0.17 0.00 -0.03 0.00 0.00 56.01 55.27 1t2e n LEU 180 Cb 0.54 -0.06 0.09 0.00 -2.33 0.00 0.00 43.42 41.66 1t2e n LEU 180 CO 0.47 0.29 0.10 0.59 -1.33 0.00 0.00 177.39 177.51 1t2e n ASN 181 N -0.20 -2.35 -4.46 -1.43 3.02 0.81 -5.02 115.26 105.61 1t2e n ASN 181 Ca 0.12 -0.63 -0.22 0.00 -0.03 0.00 0.00 54.58 53.82 1t2e n ASN 181 Cb 0.41 -5.13 -0.11 0.00 -0.61 0.00 0.00 39.78 34.35 1t2e n ASN 181 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1t2e s VAL 182 N -3.36 1.50 0.18 2.41 -7.23 -0.95 -5.05 120.40 107.90 1t2e s VAL 182 Ca 0.03 -2.05 -0.32 0.00 -1.81 0.00 0.00 61.98 57.83 1t2e s VAL 182 Cb -0.00 -2.67 -0.12 0.00 0.56 0.00 0.00 36.38 34.15 1t2e s VAL 182 CO 0.73 -0.13 1.72 0.00 -0.31 0.00 0.00 175.10 177.11 1t2e h PRO 184 N 6.96 0.25 0.00 0.00 0.11 -1.90 0.96 132.00 138.37 1t2e h PRO 184 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1t2e h PRO 184 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1t2e h PRO 184 CO 0.95 0.16 0.00 -0.09 -0.21 0.00 0.00 178.00 178.81 1t2e h ARG 185 N 0.25 0.00 0.00 1.05 9.65 -1.92 -1.46 114.38 121.95 1t2e h ARG 185 Ca 0.48 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.36 1t2e h ARG 185 Cb 0.90 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.48 1t2e h ARG 185 CO -0.58 0.00 0.00 -0.25 2.80 0.00 0.00 179.97 181.94 1t2e n ASP 186 N -2.72 0.00 -4.73 -3.80 8.00 0.33 -4.58 116.55 109.06 1t2e n ASP 186 Ca -0.01 -0.17 -0.36 0.00 0.71 0.00 0.00 54.79 54.97 1t2e n ASP 186 Cb 0.16 -0.26 -0.08 0.00 -0.02 0.00 0.00 41.12 40.92 1t2e n ASP 186 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1t2e s VAL 187 N -2.53 5.37 0.05 2.53 1.01 -0.55 -4.12 120.40 122.17 1t2e s VAL 187 Ca 0.28 0.33 0.09 0.00 0.00 0.00 0.00 61.98 62.68 1t2e s VAL 187 Cb 0.19 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 1t2e s VAL 187 CO 0.42 0.42 -0.25 0.21 0.00 0.00 0.00 175.10 175.90 1t2e s ASN 188 N 0.38 2.99 0.16 3.32 3.04 -0.47 -4.85 114.94 119.51 1t2e s ASN 188 Ca 0.11 -0.59 -0.23 0.00 0.04 0.00 0.00 52.86 52.19 1t2e s ASN 188 Cb -0.12 -0.26 0.07 0.00 -1.54 0.00 0.00 41.25 39.40 1t2e s ASN 188 CO 0.00 0.22 0.66 0.00 -3.04 0.00 0.00 177.10 174.94 1t2e s ALA 189 N -0.83 -1.57 -0.05 1.71 0.00 -1.26 -1.16 121.76 118.60 1t2e s ALA 189 Ca 0.11 0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.51 1t2e s ALA 189 Cb -0.10 0.83 0.01 0.00 0.00 0.00 0.00 23.12 23.86 1t2e s ALA 189 CO 0.02 -0.81 -0.11 -1.01 0.00 0.00 0.00 175.76 173.85 1t2e s HIS 190 N -3.70 1.32 -0.09 0.00 3.76 -1.25 -4.92 115.29 110.40 1t2e s HIS 190 Ca 0.03 -0.44 0.01 0.00 -0.15 0.00 0.00 55.06 54.51 1t2e s HIS 190 Cb -0.02 -0.96 0.02 0.00 1.11 0.00 0.00 32.58 32.73 1t2e s HIS 190 CO -0.09 -0.22 -0.08 0.42 -0.85 0.00 0.00 174.74 173.92 1t2e s ILE 191 N 0.54 0.93 0.26 0.60 1.01 -1.26 -2.09 121.20 121.19 1t2e s ILE 191 Ca -0.11 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.28 1t2e s ILE 191 Cb -0.14 -0.93 -0.01 0.00 0.01 0.00 0.00 42.46 41.39 1t2e s ILE 191 CO 0.03 0.33 0.09 1.33 0.00 0.00 0.00 174.94 176.72 1t2e n VAL 192 N 4.49 0.00 0.00 2.92 0.24 -0.40 -4.60 118.33 120.98 1t2e n VAL 192 Ca -0.17 -1.50 0.00 0.00 -2.04 0.00 0.00 64.34 60.63 1t2e n VAL 192 Cb 0.51 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 1t2e n VAL 192 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1t2e n GLY 193 N 0.34 2.08 3.33 7.63 0.00 0.21 -1.14 105.19 117.64 1t2e n GLY 193 Ca -0.03 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 1t2e n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t2e s ALA 194 N -0.11 -1.04 -0.64 4.61 0.00 -1.26 -1.41 121.76 121.91 1t2e s ALA 194 Ca 0.00 0.19 -0.21 0.00 0.00 0.00 0.00 51.96 51.95 1t2e s ALA 194 Cb 0.00 0.53 0.09 0.00 0.00 0.00 0.00 23.12 23.74 1t2e s ALA 194 CO 0.00 -0.56 0.85 -1.58 0.00 0.00 0.00 175.76 174.47 1t2e s HIS 195 N -3.13 2.84 -2.25 0.00 2.46 -1.26 -3.76 115.29 110.20 1t2e s HIS 195 Ca -0.01 -0.78 0.00 0.00 0.47 0.00 0.00 55.06 54.74 1t2e s HIS 195 Cb 0.00 -4.16 0.00 0.00 -0.13 0.00 0.00 32.58 28.29 1t2e s HIS 195 CO -0.07 -1.48 0.00 0.41 -2.47 0.00 0.00 174.74 171.13 1t2e n GLY 196 N 5.30 -1.26 0.08 1.59 0.00 -1.26 -4.69 105.19 104.96 1t2e n GLY 196 Ca -0.05 -0.98 0.09 0.00 0.00 0.00 0.00 46.02 45.08 1t2e n GLY 196 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1t2e n ASN 197 N 1.26 0.39 -1.15 1.61 3.02 -1.26 -1.13 115.26 118.01 1t2e n ASN 197 Ca 0.00 0.61 0.11 0.00 -0.03 0.00 0.00 54.58 55.27 1t2e n ASN 197 Cb 0.00 -0.69 0.28 0.00 -0.61 0.00 0.00 39.78 38.76 1t2e n ASN 197 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1t2e n LYS 198 N -1.95 2.46 -1.57 3.52 5.02 -1.26 -4.98 118.16 119.39 1t2e n LYS 198 Ca 0.02 -2.25 -0.43 0.00 -2.02 0.00 0.00 58.31 53.63 1t2e n LYS 198 Cb 0.17 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 1t2e n LYS 198 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1t2e n MET 199 N 1.36 1.17 -3.48 1.97 0.00 -0.28 -4.47 117.12 113.40 1t2e n MET 199 Ca 0.21 0.42 -0.43 0.00 0.00 0.00 0.00 57.70 57.90 1t2e n MET 199 Cb 0.55 -1.85 -0.09 0.00 0.00 0.00 0.00 33.22 31.83 1t2e n MET 199 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1t2e s VAL 200 N -1.23 5.02 -0.26 3.17 1.01 -0.29 -4.93 120.40 122.88 1t2e s VAL 200 Ca 0.62 -0.89 -0.23 0.00 0.00 0.00 0.00 61.98 61.47 1t2e s VAL 200 Cb -0.62 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 31.86 1t2e s VAL 200 CO 0.58 -0.40 0.75 -0.76 0.00 0.00 0.00 175.10 175.28 1t2e s LEU 201 N 1.62 4.08 -0.84 3.92 1.02 -1.26 -1.27 118.68 125.94 1t2e s LEU 201 Ca 0.04 0.85 -0.12 0.00 0.02 0.00 0.00 54.13 54.92 1t2e s LEU 201 Cb -0.21 -3.05 0.22 0.00 0.02 0.00 0.00 46.19 43.17 1t2e s LEU 201 CO 0.08 -0.49 0.77 -0.76 0.02 0.00 0.00 176.35 175.97 1t2e s LEU 202 N 2.75 6.52 0.34 1.79 1.43 -0.89 -4.88 118.68 125.75 1t2e s LEU 202 Ca 0.31 -2.83 0.09 0.00 -1.03 0.00 0.00 54.13 50.67 1t2e s LEU 202 Cb -0.15 -2.16 0.82 0.00 0.03 0.00 0.00 46.19 44.73 1t2e s LEU 202 CO 0.09 -0.51 1.83 0.50 0.23 0.00 0.00 176.35 178.49 1t2e h LYS 203 N 7.53 0.67 0.00 1.70 3.64 -1.95 -1.11 116.57 127.06 1t2e h LYS 203 Ca 0.10 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1t2e h LYS 203 Cb 1.01 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1t2e h LYS 203 CO 0.77 0.44 -0.04 -0.09 -2.27 0.00 0.00 179.45 178.27 1t2e h ARG 204 N 0.69 0.00 -0.75 1.90 2.43 -1.98 -2.32 114.38 114.35 1t2e h ARG 204 Ca 0.51 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 59.34 1t2e h ARG 204 Cb 0.86 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 30.21 1t2e h ARG 204 CO -0.27 0.04 0.36 0.66 -1.51 0.00 0.00 179.97 179.25 1t2e n TYR 205 N -3.89 2.38 -3.60 2.20 4.02 -0.42 -4.93 117.16 112.93 1t2e n TYR 205 Ca -0.03 -1.56 -0.37 0.00 -0.01 0.00 0.00 57.90 55.94 1t2e n TYR 205 Cb 0.13 -0.75 -0.07 0.00 -0.02 0.00 0.00 39.34 38.63 1t2e n TYR 205 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1t2e s ILE 206 N -3.18 5.30 0.18 -0.72 1.01 -0.88 -3.95 121.20 118.97 1t2e s ILE 206 Ca 0.53 0.51 0.05 0.00 0.00 0.00 0.00 60.65 61.75 1t2e s ILE 206 Cb 0.45 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 39.27 1t2e s ILE 206 CO 0.09 0.46 -0.09 0.42 0.00 0.00 0.00 174.94 175.83 1t2e s THR 207 N -0.04 1.27 -0.28 2.92 -4.23 -0.31 -1.35 115.64 113.63 1t2e s THR 207 Ca 0.17 -2.09 0.18 0.00 -1.18 0.00 0.00 61.69 58.76 1t2e s THR 207 Cb -0.13 -2.02 0.49 0.00 1.34 0.00 0.00 72.50 72.18 1t2e s THR 207 CO 0.05 -0.61 1.12 0.52 -0.54 0.00 0.00 174.62 175.16 1t2e n VAL 208 N -0.30 1.64 0.00 2.29 0.31 -1.26 -1.37 118.33 119.65 1t2e n VAL 208 Ca -0.08 -3.37 0.00 0.00 -0.01 0.00 0.00 64.34 60.88 1t2e n VAL 208 Cb 0.61 0.48 0.00 0.00 -0.91 0.00 0.00 33.84 34.03 1t2e n VAL 208 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1t2e n GLY 209 N -0.59 0.00 3.72 2.92 0.00 -1.26 -4.75 105.19 105.23 1t2e n GLY 209 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1t2e n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1t2e s ILE 209 N -0.10 4.70 0.20 -0.61 1.01 -1.26 -5.03 121.20 120.10 1t2e s ILE 209 Ca 0.00 -0.09 -0.33 0.00 0.00 0.00 0.00 60.65 60.23 1t2e s ILE 209 Cb 0.00 -3.03 -0.14 0.00 0.01 0.00 0.00 42.46 39.30 1t2e s ILE 209 CO 0.00 0.58 1.46 -2.65 0.00 0.00 0.00 174.94 174.32 1t2e n PRO 209 N 2.44 1.99 0.27 2.79 -0.02 -1.26 -4.20 135.00 137.01 1t2e n PRO 209 Ca -0.18 0.71 0.14 0.00 -2.02 0.00 0.00 63.50 62.14 1t2e n PRO 209 Cb 0.54 -2.40 0.84 0.00 -0.02 0.00 0.00 33.50 32.45 1t2e n PRO 209 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1t2e h LEU 210 N 4.82 0.00 -2.22 2.45 5.85 -1.53 -0.99 115.31 123.69 1t2e h LEU 210 Ca -0.45 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.30 1t2e h LEU 210 Cb 1.27 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 1t2e h LEU 210 CO 0.80 0.00 0.10 -0.61 -0.34 0.00 0.00 178.44 178.40 1t2e h GLN 210 N 0.00 0.00 -0.15 1.25 5.75 -1.88 -0.70 115.11 119.38 1t2e h GLN 210 Ca 0.02 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.39 1t2e h GLN 210 Cb 0.08 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 1t2e h GLN 210 CO -0.00 0.00 -0.45 0.93 -2.65 0.00 0.00 178.83 176.66 1t2e h GLU 211 N 0.00 0.37 -0.08 1.69 5.08 -1.53 0.21 114.58 120.31 1t2e h GLU 211 Ca 0.05 -0.19 -0.15 0.00 -1.00 0.00 0.00 59.36 58.07 1t2e h GLU 211 Cb 0.26 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1t2e h GLU 211 CO -0.00 0.75 -0.61 0.74 -1.00 0.00 0.00 179.01 178.89 1t2e h PHE 212 N 0.30 0.36 -0.20 4.33 -1.00 -1.30 -1.44 116.94 118.00 1t2e h PHE 212 Ca 0.02 -0.14 -0.04 0.00 2.81 0.00 0.00 57.97 60.62 1t2e h PHE 212 Cb 0.92 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 40.40 1t2e h PHE 212 CO 0.02 0.82 -0.03 0.82 -1.61 0.00 0.00 178.31 178.33 1t2e h ILE 213 N 0.21 1.28 -0.53 -0.55 2.04 -0.90 -0.61 117.51 118.45 1t2e h ILE 213 Ca -0.01 -0.99 0.10 0.00 1.00 0.00 0.00 64.86 64.96 1t2e h ILE 213 Cb 1.12 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 38.70 1t2e h ILE 213 CO 0.10 0.30 0.36 0.78 0.00 0.00 0.00 178.15 179.68 1t2e h ASN 214 N 0.10 0.27 -0.15 1.72 2.35 -0.43 -1.09 115.58 118.35 1t2e h ASN 214 Ca 0.05 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1t2e h ASN 214 Cb 0.47 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1t2e h ASN 214 CO 0.02 0.16 0.00 0.59 -1.65 0.00 0.00 177.43 176.55 1t2e n ASN 215 N -4.46 1.05 -2.28 5.81 3.02 -0.56 -4.91 115.26 112.94 1t2e n ASN 215 Ca 0.08 -1.76 -0.19 0.00 -0.03 0.00 0.00 54.58 52.68 1t2e n ASN 215 Cb 0.38 -0.09 -0.02 0.00 -0.61 0.00 0.00 39.78 39.43 1t2e n ASN 215 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1t2e n LYS 216 N -0.02 -1.74 0.14 3.52 5.02 -0.41 -4.84 118.16 119.83 1t2e n LYS 216 Ca 0.12 0.96 0.11 0.00 -2.02 0.00 0.00 58.31 57.48 1t2e n LYS 216 Cb 0.21 -5.57 0.06 0.00 -0.02 0.00 0.00 35.03 29.70 1t2e n LYS 216 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1t2e h LEU 218 N 0.00 0.00 -7.05 -0.35 3.38 -1.33 -3.44 115.31 106.52 1t2e h LEU 218 Ca -0.45 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 1t2e h LEU 218 Cb 1.32 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.86 1t2e h LEU 218 CO 0.54 0.06 0.04 -0.51 0.09 0.00 0.00 178.44 178.66 1t2e s ILE 219 N -3.26 -0.00 0.28 1.22 2.07 -1.21 -4.82 121.20 115.47 1t2e s ILE 219 Ca 0.02 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.33 1t2e s ILE 219 Cb 0.08 -0.93 -0.02 0.00 0.13 0.00 0.00 42.46 41.72 1t2e s ILE 219 CO 0.75 0.00 0.39 -0.94 -1.91 0.00 0.00 174.94 173.22 1t2e s SER 220 N 0.70 6.11 0.25 4.50 1.04 -1.26 -3.95 113.70 121.08 1t2e s SER 220 Ca -0.03 -0.06 -0.04 0.00 0.48 0.00 0.00 55.95 56.31 1t2e s SER 220 Cb -0.05 -1.58 0.41 0.00 0.10 0.00 0.00 66.02 64.90 1t2e s SER 220 CO -0.04 -0.20 1.83 0.44 0.98 0.00 0.00 173.24 176.24 1t2e h ASP 221 N 1.10 0.79 -0.73 7.02 3.32 -1.99 -1.37 116.42 124.56 1t2e h ASP 221 Ca -0.49 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 1t2e h ASP 221 Cb 1.24 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.63 1t2e h ASP 221 CO 0.58 0.46 0.43 0.00 -1.72 0.00 0.00 179.24 178.99 1t2e h ALA 222 N 1.45 0.93 -0.36 3.45 0.00 -1.99 0.02 119.26 122.76 1t2e h ALA 222 Ca 0.41 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 1t2e h ALA 222 Cb 0.32 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1t2e h ALA 222 CO -0.22 0.42 -0.03 0.93 0.00 0.00 0.00 179.25 180.34 1t2e h GLU 223 N 1.00 0.58 -0.05 0.00 5.08 -1.84 -1.86 114.58 117.50 1t2e h GLU 223 Ca 0.26 -0.14 -0.17 0.00 -1.00 0.00 0.00 59.36 58.31 1t2e h GLU 223 Cb -0.01 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1t2e h GLU 223 CO -0.05 0.62 -0.70 1.25 -1.00 0.00 0.00 179.01 179.14 1t2e h LEU 225 N 0.55 0.29 -0.95 1.33 5.85 -0.64 -0.26 115.31 121.48 1t2e h LEU 225 Ca 0.11 -0.19 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 1t2e h LEU 225 Cb 0.40 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1t2e h LEU 225 CO 0.02 0.90 -0.25 -0.08 -0.34 0.00 0.00 178.44 178.69 1t2e h GLU 226 N 0.17 0.47 -0.24 1.25 4.81 -0.58 0.37 114.58 120.84 1t2e h GLU 226 Ca -0.02 -0.18 -0.16 0.00 -0.13 0.00 0.00 59.36 58.87 1t2e h GLU 226 Cb 1.25 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1t2e h GLU 226 CO 0.11 0.69 -0.51 0.00 -0.73 0.00 0.00 179.01 178.56 1t2e h ALA 227 N 1.32 0.65 -0.55 2.92 0.00 -0.97 -0.31 119.26 122.32 1t2e h ALA 227 Ca 0.06 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 1t2e h ALA 227 Cb 0.66 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1t2e h ALA 227 CO 0.05 0.68 -0.04 0.82 0.00 0.00 0.00 179.25 180.75 1t2e h ILE 228 N 0.53 1.27 -0.16 0.00 2.04 -0.20 0.24 117.51 121.23 1t2e h ILE 228 Ca 0.02 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 64.70 1t2e h ILE 228 Cb 1.07 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1t2e h ILE 228 CO 0.10 0.42 0.10 -0.26 0.00 0.00 0.00 178.15 178.52 1t2e h PHE 229 N 0.88 0.20 -0.44 1.37 0.04 0.01 0.73 116.94 119.73 1t2e h PHE 229 Ca 0.15 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.95 1t2e h PHE 229 Cb 0.60 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.65 1t2e h PHE 229 CO 0.04 0.13 0.24 0.22 -0.60 0.00 0.00 178.31 178.33 1t2e h ASP 230 N 0.21 0.36 -0.90 2.17 1.82 -0.67 -0.61 116.42 118.80 1t2e h ASP 230 Ca 0.06 0.02 0.04 0.00 -0.39 0.00 0.00 57.03 56.75 1t2e h ASP 230 Cb -0.02 -0.06 -0.05 0.00 0.68 0.00 0.00 39.33 39.88 1t2e h ASP 230 CO -0.01 0.26 0.59 -0.09 -1.61 0.00 0.00 179.24 178.38 1t2e h ARG 231 N 0.47 1.09 -0.04 0.28 2.43 -0.04 -1.04 114.38 117.53 1t2e h ARG 231 Ca 0.19 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1t2e h ARG 231 Cb 0.07 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1t2e h ARG 231 CO -0.11 0.72 0.01 1.15 -1.51 0.00 0.00 179.97 180.23 1t2e h THR 232 N 1.12 1.16 -0.89 0.20 2.02 0.08 0.29 112.91 116.89 1t2e h THR 232 Ca 0.36 -0.47 0.01 0.00 0.77 0.00 0.00 66.41 67.08 1t2e h THR 232 Cb 0.03 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 1t2e h THR 232 CO -0.11 0.13 0.58 0.58 0.37 0.00 0.00 175.52 177.07 1t2e h VAL 233 N -0.12 1.23 -0.44 3.16 2.07 -0.83 -2.39 116.25 118.93 1t2e h VAL 233 Ca 0.01 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1t2e h VAL 233 Cb 0.20 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 1t2e h VAL 233 CO -0.00 0.22 0.00 0.59 0.02 0.00 0.00 177.57 178.40 1t2e n ASN 234 N -4.39 2.67 -0.18 0.57 5.03 -0.42 -4.51 115.26 114.03 1t2e n ASN 234 Ca 0.10 -2.09 -0.06 0.00 0.87 0.00 0.00 54.58 53.41 1t2e n ASN 234 Cb 0.02 -0.35 0.04 0.00 -1.02 0.00 0.00 39.78 38.47 1t2e n ASN 234 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.26 176.17 1t2e h THR 235 N 2.65 1.07 -0.58 3.41 2.02 0.11 0.35 112.91 121.94 1t2e h THR 235 Ca 0.00 -0.23 0.01 0.00 0.77 0.00 0.00 66.41 66.96 1t2e h THR 235 Cb 0.73 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 1t2e h THR 235 CO 0.05 0.12 0.38 0.00 0.37 0.00 0.00 175.52 176.43 1t2e h ALA 236 N 1.23 0.73 -0.34 6.16 0.00 -1.82 0.19 119.26 125.41 1t2e h ALA 236 Ca 0.21 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1t2e h ALA 236 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1t2e h ALA 236 CO -0.09 0.15 0.13 1.25 0.00 0.00 0.00 179.25 180.69 1t2e h LEU 237 N 0.77 0.47 -0.56 0.00 5.85 -1.67 0.37 115.31 120.55 1t2e h LEU 237 Ca 0.21 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.83 1t2e h LEU 237 Cb -0.07 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 1t2e h LEU 237 CO -0.05 0.52 0.24 -0.08 -0.34 0.00 0.00 178.44 178.72 1t2e h GLU 238 N 0.40 0.43 -0.50 1.25 4.81 0.38 0.27 114.58 121.61 1t2e h GLU 238 Ca 0.11 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 1t2e h GLU 238 Cb 0.20 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1t2e h GLU 238 CO -0.01 0.29 0.04 0.82 -0.73 0.00 0.00 179.01 179.42 1t2e h ILE 239 N 0.44 1.26 -0.75 2.32 2.04 -0.09 -1.70 117.51 121.03 1t2e h ILE 239 Ca 0.27 -1.00 0.01 0.00 1.00 0.00 0.00 64.86 65.13 1t2e h ILE 239 Cb 0.27 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 1t2e h ILE 239 CO -0.24 0.36 0.49 0.58 0.00 0.00 0.00 178.15 179.34 1t2e h VAL 240 N 0.72 1.19 -0.00 1.67 2.07 -0.57 -1.46 116.25 119.87 1t2e h VAL 240 Ca 0.15 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1t2e h VAL 240 Cb 0.45 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1t2e h VAL 240 CO 0.02 0.18 -0.06 0.59 0.02 0.00 0.00 177.57 178.32 1t2e n ASN 241 N -4.42 0.12 -0.83 0.57 3.02 0.05 -2.31 115.26 111.45 1t2e n ASN 241 Ca 0.08 0.04 0.05 0.00 -0.03 0.00 0.00 54.58 54.72 1t2e n ASN 241 Cb 0.03 -0.29 0.17 0.00 -0.61 0.00 0.00 39.78 39.08 1t2e n ASN 241 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1t2e n LEU 242 N -1.34 2.37 -0.97 3.41 4.77 -0.60 -4.88 117.00 119.75 1t2e n LEU 242 Ca 0.11 -1.19 -0.09 0.00 -0.03 0.00 0.00 56.01 54.80 1t2e n LEU 242 Cb 0.30 -0.36 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 1t2e n LEU 242 CO 0.26 0.46 -0.11 1.57 -1.33 0.00 0.00 177.39 178.23 1t2e n HIS 243 N 0.45 -0.36 -4.53 -1.77 -0.00 -0.98 -5.02 115.22 103.01 1t2e n HIS 243 Ca 0.12 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.59 1t2e n HIS 243 Cb 0.44 -2.21 -0.06 0.00 -0.00 0.00 0.00 29.99 28.16 1t2e n HIS 243 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1t2e n ALA 244 N -1.03 0.48 -3.37 1.57 0.00 -0.92 -5.06 120.51 112.17 1t2e n ALA 244 Ca -0.10 -1.95 -0.18 0.00 0.00 0.00 0.00 53.44 51.21 1t2e n ALA 244 Cb 0.54 1.22 -0.16 0.00 0.00 0.00 0.00 19.45 21.05 1t2e n ALA 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t2e s ALA 245 N -2.93 0.52 -0.38 0.00 0.00 -1.26 -3.62 121.76 114.08 1t2e s ALA 245 Ca 0.12 -0.06 -0.29 0.00 0.00 0.00 0.00 51.96 51.74 1t2e s ALA 245 Cb 0.01 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.85 1t2e s ALA 245 CO 0.09 0.02 1.21 -1.25 0.00 0.00 0.00 175.76 175.83 1t2e s PRO 246 N 0.59 3.83 0.00 0.00 0.05 -1.26 -4.66 135.00 133.55 1t2e s PRO 246 Ca -0.07 0.92 0.00 0.00 0.05 0.00 0.00 61.00 61.90 1t2e s PRO 246 Cb -0.10 -3.88 0.00 0.00 0.05 0.00 0.00 34.50 30.57 1t2e s PRO 246 CO -0.00 -1.23 0.00 2.48 0.05 0.00 0.00 177.00 178.29 1t2e n TYR 247 N 7.72 0.00 -0.03 0.56 4.11 -1.26 -4.80 117.16 123.46 1t2e n TYR 247 Ca 0.13 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.91 1t2e n TYR 247 Cb 0.48 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.74 1t2e n TYR 247 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1t2e h VAL 248 N 0.00 1.30 -0.09 -3.48 2.07 -1.91 -0.57 116.25 113.57 1t2e h VAL 248 Ca 0.00 -0.95 -0.21 0.00 0.82 0.00 0.00 66.70 66.36 1t2e h VAL 248 Cb 0.00 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1t2e h VAL 248 CO 0.00 0.26 -0.81 0.00 0.02 0.00 0.00 177.57 177.05 1t2e h ALA 249 N 0.67 0.41 -0.57 1.67 0.00 -1.96 -2.13 119.26 117.35 1t2e h ALA 249 Ca 0.02 -0.63 0.11 0.00 0.00 0.00 0.00 54.91 54.41 1t2e h ALA 249 Cb 0.43 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.10 1t2e h ALA 249 CO 0.01 0.73 0.07 -1.35 0.00 0.00 0.00 179.25 178.71 1t2e h PRO 250 N 0.38 0.19 -0.46 0.00 0.11 -1.86 0.21 132.00 130.56 1t2e h PRO 250 Ca -0.05 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.05 1t2e h PRO 250 Cb 1.42 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.46 1t2e h PRO 250 CO 0.15 0.12 0.30 0.00 -0.21 0.00 0.00 178.00 178.37 1t2e h ALA 251 N 1.48 0.59 -0.52 -0.75 0.00 -0.84 -0.03 119.26 119.18 1t2e h ALA 251 Ca 0.30 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1t2e h ALA 251 Cb 0.45 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1t2e h ALA 251 CO -0.42 0.03 0.04 0.00 0.00 0.00 0.00 179.25 178.89 1t2e h ALA 252 N 1.17 1.09 -0.41 0.00 0.00 -0.82 0.14 119.26 120.43 1t2e h ALA 252 Ca 0.17 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1t2e h ALA 252 Cb -0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1t2e h ALA 252 CO -0.04 0.58 0.02 0.00 0.00 0.00 0.00 179.25 179.82 1t2e h ALA 253 N 1.24 0.55 -0.40 0.00 0.00 -0.10 0.17 119.26 120.72 1t2e h ALA 253 Ca 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1t2e h ALA 253 Cb 0.42 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1t2e h ALA 253 CO 0.01 0.31 0.20 0.82 0.00 0.00 0.00 179.25 180.59 1t2e h ILE 254 N 0.55 1.17 -0.72 0.00 2.04 -0.53 -1.80 117.51 118.21 1t2e h ILE 254 Ca 0.12 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1t2e h ILE 254 Cb 0.44 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1t2e h ILE 254 CO 0.02 0.18 0.39 0.40 0.00 0.00 0.00 178.15 179.14 1t2e h ILE 255 N 0.51 1.21 -0.84 -0.67 1.08 -0.51 0.35 117.51 118.65 1t2e h ILE 255 Ca 0.14 -0.54 -0.03 0.00 -0.39 0.00 0.00 64.86 64.04 1t2e h ILE 255 Cb 0.11 0.25 -0.04 0.00 -3.07 0.00 0.00 36.82 34.06 1t2e h ILE 255 CO -0.02 0.24 0.42 -0.08 -0.69 0.00 0.00 178.15 178.02 1t2e h GLU 256 N 1.00 1.19 0.05 2.37 4.81 -0.18 0.26 114.58 124.08 1t2e h GLU 256 Ca 0.25 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1t2e h GLU 256 Cb 0.03 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.19 1t2e h GLU 256 CO -0.04 0.90 -0.03 0.52 -0.73 0.00 0.00 179.01 179.63 1t2e h MET 257 N 1.19 -0.07 -0.79 1.92 2.86 -0.39 -1.82 114.93 117.83 1t2e h MET 257 Ca 0.29 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.97 1t2e h MET 257 Cb 0.09 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.71 1t2e h MET 257 CO -0.04 0.10 0.50 0.00 1.06 0.00 0.00 176.91 178.54 1t2e h ALA 258 N 0.71 1.03 -0.60 6.32 0.00 -0.06 -2.41 119.26 124.25 1t2e h ALA 258 Ca -0.01 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1t2e h ALA 258 Cb 0.20 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1t2e h ALA 258 CO 0.01 0.32 0.38 1.49 0.00 0.00 0.00 179.25 181.45 1t2e h GLU 259 N 0.98 0.73 -0.90 0.00 4.81 -0.44 0.32 114.58 120.09 1t2e h GLU 259 Ca 0.31 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.51 1t2e h GLU 259 Cb 0.00 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.17 1t2e h GLU 259 CO -0.11 0.48 0.59 1.03 -0.73 0.00 0.00 179.01 180.27 1t2e h SER 260 N 0.75 1.04 0.74 1.04 0.87 -0.86 0.77 113.55 117.90 1t2e h SER 260 Ca 0.24 -0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.73 1t2e h SER 260 Cb -0.01 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 61.70 1t2e h SER 260 CO -0.09 0.76 -0.37 0.22 -0.53 0.00 0.00 176.83 176.82 1t2e h TYR 261 N 1.22 -0.96 -0.78 2.24 3.20 -1.12 0.58 116.97 121.36 1t2e h TYR 261 Ca 0.33 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.14 1t2e h TYR 261 Cb -0.13 0.32 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 1t2e h TYR 261 CO -0.01 -0.59 0.33 -0.07 -1.64 0.00 0.00 178.16 176.18 1t2e h LEU 262 N -1.01 1.05 -2.74 2.82 3.38 -0.56 -2.36 115.31 115.89 1t2e h LEU 262 Ca -0.10 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1t2e h LEU 262 Cb 0.78 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1t2e h LEU 262 CO 0.16 0.92 0.00 0.29 0.09 0.00 0.00 178.44 179.90 1t2e n LYS 263 N -4.29 2.76 -3.86 1.13 5.02 0.23 -4.95 118.16 114.19 1t2e n LYS 263 Ca 0.07 -2.68 -0.26 0.00 -2.02 0.00 0.00 58.31 53.42 1t2e n LYS 263 Cb 0.17 -1.59 0.01 0.00 -0.02 0.00 0.00 35.03 33.61 1t2e n LYS 263 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1t2e n ASP 264 N 1.65 -2.20 0.20 4.39 2.03 -0.35 -4.87 116.55 117.41 1t2e n ASP 264 Ca 0.25 -0.87 0.08 0.00 0.52 0.00 0.00 54.79 54.77 1t2e n ASP 264 Cb 0.64 -3.67 0.32 0.00 -0.72 0.00 0.00 41.12 37.69 1t2e n ASP 264 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1t2e h LEU 265 N -1.90 0.00 0.03 -2.67 3.38 -1.15 -3.44 115.31 109.57 1t2e h LEU 265 Ca -0.61 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 56.97 1t2e h LEU 265 Cb 1.37 0.00 0.10 0.00 0.09 0.00 0.00 40.66 42.22 1t2e h LEU 265 CO 0.63 0.29 -0.62 0.29 0.09 0.00 0.00 178.44 179.12 1t2e n LYS 266 N -3.34 -6.29 -2.35 1.13 5.02 -0.71 -4.97 118.16 106.64 1t2e n LYS 266 Ca 0.01 0.84 -0.36 0.00 -2.02 0.00 0.00 58.31 56.78 1t2e n LYS 266 Cb 0.52 -5.73 -0.02 0.00 -0.02 0.00 0.00 35.03 29.78 1t2e n LYS 266 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1t2e s LYS 267 N -5.98 3.70 -0.24 1.97 1.02 -1.21 -4.62 119.74 114.38 1t2e s LYS 267 Ca 0.44 1.61 -0.20 0.00 0.02 0.00 0.00 55.97 57.83 1t2e s LYS 267 Cb -0.19 -2.24 -0.02 0.00 -0.52 0.00 0.00 37.83 34.86 1t2e s LYS 267 CO 0.54 -0.56 0.61 0.08 -0.92 0.00 0.00 175.35 175.10 1t2e s VAL 268 N -1.71 5.01 -0.02 3.17 1.01 -1.26 -1.73 120.40 124.87 1t2e s VAL 268 Ca 0.66 1.11 -0.01 0.00 0.00 0.00 0.00 61.98 63.74 1t2e s VAL 268 Cb -0.24 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.23 1t2e s VAL 268 CO 0.28 0.06 0.04 -0.76 0.00 0.00 0.00 175.10 174.72 1t2e s LEU 269 N 2.32 1.76 -0.23 3.92 1.43 0.16 -4.91 118.68 123.12 1t2e s LEU 269 Ca 0.26 0.08 -0.21 0.00 -1.03 0.00 0.00 54.13 53.23 1t2e s LEU 269 Cb -0.16 0.12 -0.02 0.00 0.03 0.00 0.00 46.19 46.17 1t2e s LEU 269 CO 0.09 -0.03 0.67 -0.63 0.23 0.00 0.00 176.35 176.68 1t2e s ILE 270 N 0.14 4.97 0.22 -0.59 1.01 -1.26 -0.93 121.20 124.76 1t2e s ILE 270 Ca -0.01 1.23 -0.00 0.00 0.00 0.00 0.00 60.65 61.86 1t2e s ILE 270 Cb -0.02 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 1t2e s ILE 270 CO -0.00 0.03 0.13 0.00 0.00 0.00 0.00 174.94 175.10 1t2e s SER 272 N -3.21 7.06 0.14 0.00 0.15 0.33 -1.53 113.70 116.64 1t2e s SER 272 Ca 0.39 1.30 -0.07 0.00 0.70 0.00 0.00 55.95 58.26 1t2e s SER 272 Cb 0.07 -2.48 -0.01 0.00 -1.71 0.00 0.00 66.02 61.89 1t2e s SER 272 CO 0.13 -0.34 0.21 0.28 1.20 0.00 0.00 173.24 174.72 1t2e s THR 273 N 1.77 0.09 -0.12 6.45 -1.32 -0.51 -0.80 115.64 121.19 1t2e s THR 273 Ca 0.42 -1.45 -0.29 0.00 -1.21 0.00 0.00 61.69 59.15 1t2e s THR 273 Cb -0.18 -1.77 -0.03 0.00 -1.51 0.00 0.00 72.50 69.02 1t2e s THR 273 CO 0.16 -0.42 1.39 -0.22 -2.21 0.00 0.00 174.62 173.32 1t2e s LEU 274 N -2.96 4.23 0.12 9.08 2.96 -1.26 -1.88 118.68 128.96 1t2e s LEU 274 Ca 0.16 1.88 -0.24 0.00 -0.22 0.00 0.00 54.13 55.71 1t2e s LEU 274 Cb 0.04 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.13 1t2e s LEU 274 CO -0.02 -0.81 0.73 -0.76 -1.32 0.00 0.00 176.35 174.17 1t2e s LEU 275 N 3.60 4.55 -0.41 -0.68 1.43 -0.25 -4.98 118.68 121.94 1t2e s LEU 275 Ca 0.61 1.52 0.11 0.00 -1.03 0.00 0.00 54.13 55.33 1t2e s LEU 275 Cb -0.26 -3.19 0.36 0.00 0.03 0.00 0.00 46.19 43.13 1t2e s LEU 275 CO 0.20 0.18 0.81 -0.62 0.23 0.00 0.00 176.35 177.14 1t2e n GLU 276 N 1.92 1.55 0.00 1.70 1.02 -1.23 -2.67 120.64 122.94 1t2e n GLU 276 Ca -0.06 -3.73 0.00 0.00 -0.02 0.00 0.00 57.16 53.36 1t2e n GLU 276 Cb 0.49 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 1t2e n GLU 276 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1t2e n GLY 277 N 0.11 1.96 3.77 0.62 0.00 0.39 -4.94 105.19 107.11 1t2e n GLY 277 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 1t2e n GLY 277 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1t2e s GLN 278 N -0.63 4.21 -0.99 1.61 1.11 -1.19 -1.19 119.66 122.60 1t2e s GLN 278 Ca 0.00 2.39 0.00 0.00 0.01 0.00 0.00 55.36 57.76 1t2e s GLN 278 Cb 0.00 -3.00 0.00 0.00 -1.01 0.00 0.00 33.01 29.00 1t2e s GLN 278 CO 0.00 -0.38 0.00 0.66 0.01 0.00 0.00 175.29 175.58 1t2e n TYR 279 N 0.58 0.00 -0.66 0.91 4.01 -1.26 -0.90 117.16 119.85 1t2e n TYR 279 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1t2e n TYR 279 Cb 0.41 -2.50 0.00 0.00 -0.31 0.00 0.00 39.34 36.93 1t2e n TYR 279 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1t2e n GLY 280 N 0.02 0.72 3.46 2.72 0.00 -0.33 -4.97 105.19 106.81 1t2e n GLY 280 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1t2e n GLY 280 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1t2e s HIS 281 N -2.44 2.71 0.17 1.61 3.76 -0.08 -4.90 115.29 116.12 1t2e s HIS 281 Ca 0.00 -0.24 0.03 0.00 -0.15 0.00 0.00 55.06 54.70 1t2e s HIS 281 Cb 0.00 -1.66 -0.05 0.00 1.11 0.00 0.00 32.58 31.99 1t2e s HIS 281 CO 0.00 0.12 -0.03 -1.12 -0.85 0.00 0.00 174.74 172.86 1t2e s SER 282 N -0.57 1.42 -1.51 1.40 0.01 -1.26 0.15 113.70 113.34 1t2e s SER 282 Ca 0.08 -1.12 -0.03 0.00 1.31 0.00 0.00 55.95 56.19 1t2e s SER 282 Cb -0.11 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.19 1t2e s SER 282 CO 0.01 -0.49 0.37 0.47 0.41 0.00 0.00 173.24 174.01 1t2e n ASP 283 N -0.23 -5.70 -3.66 2.44 9.92 -1.09 -4.94 116.55 113.29 1t2e n ASP 283 Ca -0.08 -0.18 -0.11 0.00 -0.53 0.00 0.00 54.79 53.89 1t2e n ASP 283 Cb 0.62 -4.60 -0.05 0.00 -0.64 0.00 0.00 41.12 36.45 1t2e n ASP 283 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1t2e s ILE 285 N -3.07 0.07 0.01 0.53 1.10 -1.26 -5.03 121.20 113.55 1t2e s ILE 285 Ca 0.18 -0.57 -0.04 0.00 -0.51 0.00 0.00 60.65 59.71 1t2e s ILE 285 Cb -0.08 -1.11 -0.04 0.00 0.15 0.00 0.00 42.46 41.38 1t2e s ILE 285 CO 0.23 -0.32 0.22 -0.36 -2.11 0.00 0.00 174.94 172.61 1t2e s PHE 286 N -3.39 3.55 0.13 3.50 0.40 -1.26 -1.09 117.98 119.82 1t2e s PHE 286 Ca 0.00 0.43 -0.18 0.00 -0.60 0.00 0.00 56.93 56.58 1t2e s PHE 286 Cb 0.01 -1.89 0.05 0.00 0.51 0.00 0.00 43.02 41.70 1t2e s PHE 286 CO -0.09 0.62 0.46 0.20 0.70 0.00 0.00 175.22 177.11 1t2e s GLY 287 N -1.93 -0.38 -0.07 4.36 0.00 -0.79 -4.84 107.32 103.66 1t2e s GLY 287 Ca 0.29 0.14 -0.27 0.00 0.00 0.00 0.00 44.72 44.87 1t2e s GLY 287 CO 0.19 -0.14 0.88 -0.32 0.00 0.00 0.00 173.10 173.71 1t2e s GLY 288 N -2.73 2.57 0.10 0.20 0.00 -0.50 -1.43 107.32 105.53 1t2e s GLY 288 Ca 0.02 0.30 -0.22 0.00 0.00 0.00 0.00 44.72 44.82 1t2e s GLY 288 CO -0.12 1.59 0.54 -1.08 0.00 0.00 0.00 173.10 174.04 1t2e s THR 289 N 1.37 0.02 0.27 0.90 -1.32 -0.58 -0.62 115.64 115.68 1t2e s THR 289 Ca 0.45 -0.19 -0.30 0.00 -1.21 0.00 0.00 61.69 60.43 1t2e s THR 289 Cb -0.19 -1.03 -0.11 0.00 -1.51 0.00 0.00 72.50 69.67 1t2e s THR 289 CO 0.20 -0.11 1.55 -2.16 -2.21 0.00 0.00 174.62 171.90 1t2e s PRO 290 N -3.16 4.17 0.21 7.08 0.04 -1.26 -1.25 135.00 140.83 1t2e s PRO 290 Ca -0.01 2.49 0.04 0.00 0.04 0.00 0.00 61.00 63.55 1t2e s PRO 290 Cb -0.00 -3.05 -0.05 0.00 0.04 0.00 0.00 34.50 31.43 1t2e s PRO 290 CO -0.08 -0.57 -0.02 0.14 0.04 0.00 0.00 177.00 176.51 1t2e s VAL 291 N 0.05 1.05 -0.22 -0.36 -7.23 -0.11 -0.08 120.40 113.51 1t2e s VAL 291 Ca 0.62 -2.04 -0.07 0.00 -1.81 0.00 0.00 61.98 58.69 1t2e s VAL 291 Cb -0.46 -2.24 -0.03 0.00 0.56 0.00 0.00 36.38 34.21 1t2e s VAL 291 CO 0.46 -0.41 0.05 -0.69 -0.31 0.00 0.00 175.10 174.20 1t2e s VAL 292 N -3.41 4.35 -0.25 1.32 1.01 -0.60 -0.66 120.40 122.16 1t2e s VAL 292 Ca 0.26 -0.17 -0.07 0.00 0.00 0.00 0.00 61.98 62.00 1t2e s VAL 292 Cb 0.05 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 1t2e s VAL 292 CO 0.07 0.39 0.05 -0.76 0.00 0.00 0.00 175.10 174.85 1t2e s LEU 293 N 1.14 3.40 0.00 3.92 1.43 -0.71 -0.60 118.68 127.27 1t2e s LEU 293 Ca 0.04 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1t2e s LEU 293 Cb -0.14 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.19 1t2e s LEU 293 CO 0.03 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.16 1t2e n GLY 294 N 4.90 4.51 0.31 -3.19 0.00 -0.21 -1.74 105.19 109.76 1t2e n GLY 294 Ca -0.16 -1.39 0.12 0.00 0.00 0.00 0.00 46.02 44.59 1t2e n GLY 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t2e h ALA 295 N 1.16 1.35 -0.23 4.61 0.00 -1.78 0.27 119.26 124.64 1t2e h ALA 295 Ca 0.00 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1t2e h ALA 295 Cb 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1t2e h ALA 295 CO 0.00 -0.35 0.07 0.09 0.00 0.00 0.00 179.25 179.05 1t2e n ASN 296 N -5.08 2.77 0.00 0.00 3.02 -1.26 -5.01 115.26 109.70 1t2e n ASN 296 Ca 0.21 -2.37 0.00 0.00 -0.03 0.00 0.00 54.58 52.39 1t2e n ASN 296 Cb 0.63 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 1t2e n ASN 296 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t2e n GLY 297 N 0.13 0.39 3.56 7.41 0.00 0.94 -4.47 105.19 113.15 1t2e n GLY 297 Ca 0.12 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 1t2e n GLY 297 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t2e s VAL 298 N 0.00 3.71 -0.06 1.61 1.01 0.49 -1.04 120.40 126.12 1t2e s VAL 298 Ca 0.00 0.46 0.13 0.00 0.00 0.00 0.00 61.98 62.57 1t2e s VAL 298 Cb 0.00 -4.74 -0.08 0.00 0.00 0.00 0.00 36.38 31.56 1t2e s VAL 298 CO 0.00 -1.63 1.21 -0.33 0.00 0.00 0.00 175.10 174.35 1t2e h GLU 299 N 10.68 0.00 -2.27 2.72 5.08 -1.07 -3.45 114.58 126.27 1t2e h GLU 299 Ca -0.27 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.02 1t2e h GLU 299 Cb 1.07 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.10 1t2e h GLU 299 CO 1.25 0.60 0.01 -0.65 -1.00 0.00 0.00 179.01 179.23 1t2e s GLN 301 N -2.85 0.75 -0.20 2.33 -0.21 -1.23 -4.96 119.66 113.29 1t2e s GLN 301 Ca 0.01 0.72 -0.02 0.00 0.02 0.00 0.00 55.36 56.08 1t2e s GLN 301 Cb 0.08 0.36 -0.00 0.00 1.00 0.00 0.00 33.01 34.46 1t2e s GLN 301 CO 0.79 -0.12 -0.08 0.08 -2.12 0.00 0.00 175.29 173.83 1t2e s VAL 302 N 0.04 3.08 -0.22 1.09 1.01 -1.26 -1.56 120.40 122.58 1t2e s VAL 302 Ca -0.02 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 1t2e s VAL 302 Cb -0.04 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 1t2e s VAL 302 CO 0.02 0.46 0.16 -0.63 0.00 0.00 0.00 175.10 175.11 1t2e s ILE 303 N 1.32 5.37 -0.37 2.22 1.01 0.89 -5.00 121.20 126.65 1t2e s ILE 303 Ca 0.04 0.22 -0.14 0.00 0.00 0.00 0.00 60.65 60.77 1t2e s ILE 303 Cb -0.14 -3.50 -0.00 0.00 0.01 0.00 0.00 42.46 38.83 1t2e s ILE 303 CO -0.04 0.39 0.26 -0.70 0.00 0.00 0.00 174.94 174.85 1t2e s GLU 304 N 0.74 3.27 0.36 2.79 2.12 -1.26 -4.00 118.70 122.72 1t2e s GLU 304 Ca 0.09 -0.81 -0.27 0.00 0.36 0.00 0.00 54.97 54.34 1t2e s GLU 304 Cb -0.12 -3.88 -0.09 0.00 0.26 0.00 0.00 34.13 30.30 1t2e s GLU 304 CO 0.02 -0.57 1.20 -0.51 -0.54 0.00 0.00 175.26 174.86 1t2e s LEU 305 N 1.70 4.32 -1.23 2.70 1.43 -1.26 -4.90 118.68 121.45 1t2e s LEU 305 Ca 0.06 2.44 -0.13 0.00 -1.03 0.00 0.00 54.13 55.47 1t2e s LEU 305 Cb -0.18 -3.84 0.17 0.00 0.03 0.00 0.00 46.19 42.37 1t2e s LEU 305 CO 0.10 -0.55 1.53 0.00 0.23 0.00 0.00 176.35 177.66 1t2e n GLN 306 N 0.47 3.44 -1.90 1.70 6.02 -1.26 -4.91 117.38 120.93 1t2e n GLN 306 Ca 0.02 -3.79 -0.34 0.00 -0.01 0.00 0.00 57.00 52.88 1t2e n GLN 306 Cb 0.45 -3.00 0.03 0.00 1.02 0.00 0.00 30.24 28.74 1t2e n GLN 306 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1t2e s LEU 307 N 1.12 3.50 0.00 1.08 1.43 -1.26 -5.05 118.68 119.49 1t2e s LEU 307 Ca 0.42 2.06 -0.08 0.00 -1.03 0.00 0.00 54.13 55.50 1t2e s LEU 307 Cb -0.00 -4.56 0.14 0.00 0.03 0.00 0.00 46.19 41.79 1t2e s LEU 307 CO 0.00 -1.52 0.83 -0.46 0.23 0.00 0.00 176.35 175.44 1t2e n ASN 308 N -2.08 0.28 0.11 2.29 0.23 -1.26 -4.78 115.26 110.05 1t2e n ASN 308 Ca 0.11 -1.44 -0.04 0.00 -0.53 0.00 0.00 54.58 52.68 1t2e n ASN 308 Cb 0.52 -0.62 0.11 0.00 -2.08 0.00 0.00 39.78 37.71 1t2e n ASN 308 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1t2e h SER 309 N -0.97 0.14 -0.47 0.53 4.64 -1.98 0.11 113.55 115.54 1t2e h SER 309 Ca -0.27 -0.09 -0.12 0.00 -0.47 0.00 0.00 61.79 60.85 1t2e h SER 309 Cb 0.80 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 1t2e h SER 309 CO 0.21 0.77 -0.16 -0.33 -0.87 0.00 0.00 176.83 176.45 1t2e h GLU 310 N 0.08 0.94 -0.30 4.77 3.07 -1.99 0.95 114.58 122.09 1t2e h GLU 310 Ca -0.01 -0.38 -0.17 0.00 -0.50 0.00 0.00 59.36 58.30 1t2e h GLU 310 Cb 1.20 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 29.06 1t2e h GLU 310 CO 0.10 1.04 -0.49 0.93 -1.40 0.00 0.00 179.01 179.19 1t2e h GLU 311 N 0.79 0.86 -0.47 2.33 5.08 -1.84 -2.57 114.58 118.76 1t2e h GLU 311 Ca 0.11 -0.52 -0.03 0.00 -1.00 0.00 0.00 59.36 57.92 1t2e h GLU 311 Cb 0.72 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1t2e h GLU 311 CO 0.05 1.16 0.16 -0.22 -1.00 0.00 0.00 179.01 179.16 1t2e h LYS 312 N 0.64 0.68 -0.69 2.33 3.64 -0.56 -0.07 116.57 122.54 1t2e h LYS 312 Ca 0.02 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 1t2e h LYS 312 Cb 1.09 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.76 1t2e h LYS 312 CO 0.11 0.58 0.32 0.00 -2.27 0.00 0.00 179.45 178.19 1t2e h ALA 313 N 1.51 1.27 -0.37 5.00 0.00 -0.43 0.15 119.26 126.39 1t2e h ALA 313 Ca 0.16 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1t2e h ALA 313 Cb 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1t2e h ALA 313 CO -0.01 0.56 -0.33 0.87 0.00 0.00 0.00 179.25 180.34 1t2e h LYS 314 N 0.97 0.83 -0.83 0.00 1.79 -0.96 -1.62 116.57 116.75 1t2e h LYS 314 Ca 0.24 -0.40 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 1t2e h LYS 314 Cb 0.12 -0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.72 1t2e h LYS 314 CO -0.03 1.04 0.53 0.35 -1.08 0.00 0.00 179.45 180.26 1t2e h PHE 315 N 0.69 1.06 -0.55 -1.35 3.57 -0.33 -1.12 116.94 118.92 1t2e h PHE 315 Ca 0.07 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 1t2e h PHE 315 Cb 0.89 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1t2e h PHE 315 CO 0.05 0.69 0.14 -0.44 -2.23 0.00 0.00 178.31 176.52 1t2e h ASP 316 N 1.13 0.77 -0.66 0.41 3.32 -0.31 -0.60 116.42 120.49 1t2e h ASP 316 Ca 0.30 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 1t2e h ASP 316 Cb -0.10 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 1t2e h ASP 316 CO -0.06 0.75 0.12 -0.33 -1.72 0.00 0.00 179.24 178.00 1t2e h GLU 317 N 0.80 1.08 -0.21 3.56 5.08 -0.39 0.85 114.58 125.35 1t2e h GLU 317 Ca 0.18 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1t2e h GLU 317 Cb 0.28 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1t2e h GLU 317 CO -0.00 0.98 0.07 0.00 -1.00 0.00 0.00 179.01 179.06 1t2e h ALA 318 N 1.05 0.28 -0.56 3.43 0.00 -0.49 -2.61 119.26 120.35 1t2e h ALA 318 Ca 0.20 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1t2e h ALA 318 Cb 0.42 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1t2e h ALA 318 CO 0.01 -0.11 0.20 0.82 0.00 0.00 0.00 179.25 180.16 1t2e h ILE 319 N 0.18 1.21 -0.74 0.00 1.08 -0.92 -2.20 117.51 116.12 1t2e h ILE 319 Ca 0.07 -0.70 0.01 0.00 -0.39 0.00 0.00 64.86 63.86 1t2e h ILE 319 Cb 0.21 0.57 -0.04 0.00 -3.07 0.00 0.00 36.82 34.50 1t2e h ILE 319 CO -0.00 0.27 0.49 0.00 -0.69 0.00 0.00 178.15 178.22 1t2e h ALA 320 N 1.41 1.49 0.07 1.87 0.00 -0.56 0.13 119.26 123.67 1t2e h ALA 320 Ca 0.19 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1t2e h ALA 320 Cb 0.20 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1t2e h ALA 320 CO -0.01 0.47 -0.03 0.93 0.00 0.00 0.00 179.25 180.60 1t2e h GLU 321 N 0.99 -0.09 -0.63 0.00 4.39 -1.04 0.78 114.58 118.97 1t2e h GLU 321 Ca 0.28 0.01 0.11 0.00 0.34 0.00 0.00 59.36 60.09 1t2e h GLU 321 Cb -0.08 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 28.51 1t2e h GLU 321 CO -0.06 0.15 0.20 1.15 -1.16 0.00 0.00 179.01 179.29 1t2e h THR 322 N -0.33 0.71 -0.65 1.13 2.02 -0.97 -1.93 112.91 112.89 1t2e h THR 322 Ca -0.01 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 1t2e h THR 322 Cb 0.28 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 1t2e h THR 322 CO 0.02 0.07 0.34 0.50 0.37 0.00 0.00 175.52 176.81 1t2e h LYS 323 N 0.36 0.93 -0.67 6.66 3.64 -0.65 0.46 116.57 127.30 1t2e h LYS 323 Ca 0.33 -0.12 0.07 0.00 -1.27 0.00 0.00 60.65 59.65 1t2e h LYS 323 Cb 0.45 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 1t2e h LYS 323 CO -0.36 0.72 0.36 -0.09 -2.27 0.00 0.00 179.45 177.81 1t2e h ARG 324 N 0.90 0.63 0.00 1.90 2.43 -0.11 0.70 114.38 120.83 1t2e h ARG 324 Ca 0.23 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1t2e h ARG 324 Cb 0.08 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1t2e h ARG 324 CO -0.03 0.42 0.00 -1.33 -1.51 0.00 0.00 179.97 177.52 1t2e n MET 325 N -4.81 0.23 -0.01 0.20 2.81 -0.81 -4.07 117.12 110.66 1t2e n MET 325 Ca 0.09 0.19 -0.13 0.00 -1.81 0.00 0.00 57.70 56.04 1t2e n MET 325 Cb 0.20 -1.77 -0.07 0.00 -0.71 0.00 0.00 33.22 30.87 1t2e n MET 325 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1t2e h LYS 326 N 0.00 -0.49 -0.82 0.03 3.64 0.14 -0.29 116.57 118.79 1t2e h LYS 326 Ca 0.00 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1t2e h LYS 326 Cb 0.71 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.60 1t2e h LYS 326 CO 0.00 -0.33 0.54 -1.35 -2.27 0.00 0.00 179.45 176.04 1t2e h PRO 327 N -0.51 0.99 -0.15 1.90 0.11 -1.71 -2.36 132.00 130.28 1t2e h PRO 327 Ca 0.07 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.05 1t2e h PRO 327 Cb 0.64 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 1t2e h PRO 327 CO -0.41 0.66 -0.20 -0.07 -0.21 0.00 0.00 178.00 177.76 1t2e h LEU 328 N 1.02 0.25 0.06 2.35 3.38 -1.47 -3.18 115.31 117.72 1t2e h LEU 328 Ca 0.32 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 1t2e h LEU 328 Cb 0.02 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1t2e h LEU 328 CO -0.09 0.47 -0.03 0.00 0.09 0.00 0.00 178.44 178.88 1t2e h ALA 329 N 1.56 -0.08 0.00 1.53 0.00 -0.59 -2.20 119.26 119.48 1t2e h ALA 329 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1t2e h ALA 329 Cb 0.50 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1t2e h ALA 329 CO 0.03 -0.34 0.00 0.72 0.00 0.00 0.00 179.25 179.66 1t2e n HIS 330 N -4.94 0.00 -1.80 0.00 8.25 -0.96 -4.77 115.22 111.00 1t2e n HIS 330 Ca -0.08 -0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.08 1t2e n HIS 330 Cb 0.22 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.06 1t2e n HIS 330 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56