#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i8a s SER 5004N 0.00 -0.24 0.00 4.39 0.15 -1.26 -4.42 113.70 112.32 2i8a s SER 5004Ca 0.00 0.30 0.25 0.00 0.70 0.00 0.00 55.95 57.20 2i8a s SER 5004Cb 0.00 0.45 0.44 0.00 -1.71 0.00 0.00 66.02 65.20 2i8a s SER 5004CO 0.00 -0.30 1.37 0.47 1.20 0.00 0.00 173.24 175.98 2i8a n ASP 5005N 1.99 1.27 -4.18 5.45 8.00 -0.07 -4.94 116.55 124.07 2i8a n ASP 5005Ca -0.18 -1.02 -0.11 0.00 0.71 0.00 0.00 54.79 54.19 2i8a n ASP 5005Cb 0.57 0.31 -0.10 0.00 -0.02 0.00 0.00 41.12 41.88 2i8a n ASP 5005CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2i8a s VAL 5006N -2.58 0.68 0.23 2.53 -7.23 -1.24 -5.04 120.40 107.75 2i8a s VAL 5006Ca 0.20 -1.94 0.05 0.00 -1.81 0.00 0.00 61.98 58.48 2i8a s VAL 5006Cb 0.18 -1.75 -0.06 0.00 0.56 0.00 0.00 36.38 35.31 2i8a s VAL 5006CO 0.58 -0.81 1.53 -0.26 -0.31 0.00 0.00 175.10 175.83 2i8a h PHE 5007N 2.93 0.23 0.00 2.82 -1.00 -1.94 -3.40 116.94 116.57 2i8a h PHE 5007Ca -0.35 -0.10 -0.06 0.00 2.81 0.00 0.00 57.97 60.27 2i8a h PHE 5007Cb 1.17 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 40.68 2i8a h PHE 5007CO 0.58 0.78 -1.23 0.72 -1.61 0.00 0.00 178.31 177.55 2i8a n HIS 5008N -3.81 0.00 0.21 -0.55 8.25 -1.26 -4.79 115.22 113.27 2i8a n HIS 5008Ca -0.02 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.53 2i8a n HIS 5008Cb 0.66 -0.16 0.36 0.00 1.12 0.00 0.00 29.99 31.97 2i8a n HIS 5008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2i8a h LEU 5009N 0.00 0.00 -0.03 2.41 3.38 -1.92 -3.44 115.31 115.71 2i8a h LEU 5009Ca -0.09 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.70 2i8a h LEU 5009Cb 1.15 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.94 2i8a h LEU 5009CO -0.01 0.26 -0.28 0.61 0.09 0.00 0.00 178.44 179.11 2i8a n GLY 5010N 0.43 0.16 3.28 0.83 0.00 -1.26 -4.66 105.19 103.96 2i8a n GLY 5010Ca 0.01 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 2i8a n GLY 5010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i8a s LEU 5011N -3.41 2.31 0.30 0.99 1.43 -1.26 -4.79 118.68 114.26 2i8a s LEU 5011Ca 0.16 -0.70 0.09 0.00 -1.03 0.00 0.00 54.13 52.65 2i8a s LEU 5011Cb -0.07 -0.83 -0.04 0.00 0.03 0.00 0.00 46.19 45.28 2i8a s LEU 5011CO 0.20 0.03 0.08 0.42 0.23 0.00 0.00 176.35 177.30 2i8a s THR 5012N -1.29 3.27 0.25 5.49 -4.23 -1.26 -0.89 115.64 116.98 2i8a s THR 5012Ca 0.06 -1.78 -0.04 0.00 -1.18 0.00 0.00 61.69 58.76 2i8a s THR 5012Cb -0.09 -2.94 0.23 0.00 1.34 0.00 0.00 72.50 71.04 2i8a s THR 5012CO 0.04 -0.27 1.84 0.11 -0.54 0.00 0.00 174.62 175.80 2i8a h LYS 5013N 1.70 0.91 -0.98 3.99 1.57 -1.96 -1.88 116.57 119.91 2i8a h LYS 5013Ca -0.44 -0.05 0.18 0.00 -1.87 0.00 0.00 60.65 58.46 2i8a h LYS 5013Cb 1.25 -0.20 -0.10 0.00 0.08 0.00 0.00 32.23 33.25 2i8a h LYS 5013CO 0.62 0.60 0.59 -0.97 -0.57 0.00 0.00 179.45 179.72 2i8a h ASN 5014N 0.93 0.76 -0.14 0.86 -0.00 -1.96 -0.68 115.58 115.35 2i8a h ASN 5014Ca 0.41 0.09 0.04 0.00 -0.00 0.00 0.00 56.30 56.84 2i8a h ASN 5014Cb 0.29 -0.04 -0.01 0.00 -0.00 0.00 0.00 38.32 38.56 2i8a h ASN 5014CO -0.21 0.28 0.11 0.44 -0.00 0.00 0.00 177.43 178.05 2i8a h ASP 5015N 0.76 0.00 1.55 1.15 3.45 -1.74 -2.61 116.42 118.98 2i8a h ASP 5015Ca 0.56 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.02 2i8a h ASP 5015Cb 0.83 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.60 2i8a h ASP 5015CO -0.37 0.00 -0.36 -0.07 -1.57 0.00 0.00 179.24 176.86 2i8a h LEU 5016N 0.00 0.00 -1.32 1.55 4.07 -1.17 -3.48 115.31 114.95 2i8a h LEU 5016Ca 0.07 -0.02 -0.51 0.00 0.08 0.00 0.00 57.88 57.50 2i8a h LEU 5016Cb 0.29 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 41.92 2i8a h LEU 5016CO -0.00 0.01 -0.83 0.00 -1.08 0.00 0.00 178.44 176.54 2i8a n GLN 5017N -2.82 -3.86 -0.76 1.13 6.02 -0.98 -1.19 117.38 114.92 2i8a n GLN 5017Ca 0.03 0.45 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 2i8a n GLN 5017Cb 0.52 -5.04 0.00 0.00 1.02 0.00 0.00 30.24 26.74 2i8a n GLN 5017CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2i8a n GLY 5018N -1.64 0.73 3.71 1.08 0.00 -1.26 -4.61 105.19 103.20 2i8a n GLY 5018Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 2i8a n GLY 5018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i8a n ALA 5019N 0.27 1.51 -0.03 4.61 0.00 -0.34 -4.85 120.51 121.68 2i8a n ALA 5019Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2i8a n ALA 5019Cb 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.15 2i8a n ALA 5019CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2i8a n GLN 5020N 0.92 3.65 -4.84 0.00 6.02 -1.26 -4.29 117.38 117.58 2i8a n GLN 5020Ca 0.06 -0.17 -0.26 0.00 -0.01 0.00 0.00 57.00 56.61 2i8a n GLN 5020Cb 0.36 -0.65 -0.16 0.00 1.02 0.00 0.00 30.24 30.81 2i8a n GLN 5020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2i8a s LEU 5021N -1.14 1.94 -0.05 1.08 0.20 -1.26 -0.12 118.68 119.33 2i8a s LEU 5021Ca 0.00 -0.35 0.04 0.00 0.69 0.00 0.00 54.13 54.52 2i8a s LEU 5021Cb 0.00 -0.96 -0.00 0.00 -0.43 0.00 0.00 46.19 44.80 2i8a s LEU 5021CO 0.00 0.17 -0.18 0.00 -0.29 0.00 0.00 176.35 176.05 2i8a s ALA 5022N -0.07 1.61 -0.16 5.97 0.00 -0.24 -1.68 121.76 127.19 2i8a s ALA 5022Ca -0.01 -0.72 -0.16 0.00 0.00 0.00 0.00 51.96 51.07 2i8a s ALA 5022Cb -0.10 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 2i8a s ALA 5022CO 0.01 0.28 0.40 0.42 0.00 0.00 0.00 175.76 176.87 2i8a s ILE 5023N 0.09 5.23 -0.58 0.00 1.01 0.00 -1.21 121.20 125.74 2i8a s ILE 5023Ca -0.06 0.75 0.04 0.00 0.00 0.00 0.00 60.65 61.39 2i8a s ILE 5023Cb -0.12 -3.73 0.15 0.00 0.01 0.00 0.00 42.46 38.76 2i8a s ILE 5023CO 0.03 0.32 0.37 0.68 0.00 0.00 0.00 174.94 176.34 2i8a s VAL 5024N 0.77 2.32 0.81 2.92 -7.23 0.50 -1.30 120.40 119.18 2i8a s VAL 5024Ca 0.21 -3.56 -0.12 0.00 -1.81 0.00 0.00 61.98 56.71 2i8a s VAL 5024Cb -0.14 -2.57 0.08 0.00 0.56 0.00 0.00 36.38 34.31 2i8a s VAL 5024CO 0.07 -0.95 1.11 -2.16 -0.31 0.00 0.00 175.10 172.87 2i8a s PRO 5025N -0.67 2.00 -0.02 4.82 0.04 -1.24 -3.33 135.00 136.60 2i8a s PRO 5025Ca 0.22 0.48 -0.20 0.00 0.04 0.00 0.00 61.00 61.54 2i8a s PRO 5025Cb -0.14 -1.92 -0.30 0.00 0.04 0.00 0.00 34.50 32.18 2i8a s PRO 5025CO -0.09 -1.64 0.96 0.78 0.04 0.00 0.00 177.00 177.05 2i8a h GLY 5026N -1.10 0.42 -5.94 0.56 0.00 -1.84 -0.88 103.07 94.29 2i8a h GLY 5026Ca -0.47 -0.99 -0.59 0.00 0.00 0.00 0.00 47.33 45.27 2i8a h GLY 5026CO 0.61 0.87 0.03 -0.35 0.00 0.00 0.00 176.54 177.71 2i8a s ASP 5027N -7.04 6.67 0.54 0.19 -1.08 -1.26 -1.34 116.67 113.35 2i8a s ASP 5027Ca -0.13 0.80 0.30 0.00 -0.52 0.00 0.00 52.55 53.01 2i8a s ASP 5027Cb 0.02 -2.33 1.46 0.00 -1.46 0.00 0.00 42.92 40.62 2i8a s ASP 5027CO 0.85 -0.20 1.91 -0.65 0.52 0.00 0.00 175.17 177.60 2i8a h PRO 5028N 7.33 0.00 0.00 4.34 0.11 -1.89 -1.99 132.00 139.90 2i8a h PRO 5028Ca -0.34 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.72 2i8a h PRO 5028Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2i8a h PRO 5028CO 0.76 0.00 -0.22 0.93 -0.21 0.00 0.00 178.00 179.26 2i8a h GLU 5029N 0.00 0.00 0.00 1.05 4.39 -1.98 -2.72 114.58 115.32 2i8a h GLU 5029Ca 0.36 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.06 2i8a h GLU 5029Cb 1.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.16 2i8a h GLU 5029CO -0.00 0.22 -0.31 -2.13 -1.16 0.00 0.00 179.01 175.62 2i8a n ARG 5030N -3.67 0.25 0.21 2.33 0.63 -0.75 -4.25 116.66 111.42 2i8a n ARG 5030Ca -0.01 0.13 -0.15 0.00 -0.92 0.00 0.00 57.85 56.90 2i8a n ARG 5030Cb 0.34 -1.72 -0.07 0.00 0.45 0.00 0.00 32.46 31.45 2i8a n ARG 5030CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2i8a h VAL 5031N 0.00 0.52 -0.84 5.15 2.07 -1.57 -1.50 116.25 120.07 2i8a h VAL 5031Ca 0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 2i8a h VAL 5031Cb 0.72 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 30.93 2i8a h VAL 5031CO 0.00 0.00 0.50 -0.08 0.02 0.00 0.00 177.57 178.01 2i8a h GLU 5032N -0.56 0.83 -0.50 1.57 4.81 -1.76 -1.00 114.58 117.97 2i8a h GLU 5032Ca -0.03 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 2i8a h GLU 5032Cb 0.47 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2i8a h GLU 5032CO 0.02 0.55 0.26 0.87 -0.73 0.00 0.00 179.01 179.98 2i8a h LYS 5033N 0.86 0.71 -0.11 1.92 1.57 -1.68 -0.30 116.57 119.54 2i8a h LYS 5033Ca 0.39 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 59.05 2i8a h LYS 5033Cb 0.31 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 2i8a h LYS 5033CO -0.22 0.58 -0.03 0.82 -0.57 0.00 0.00 179.45 180.02 2i8a h ILE 5034N 0.67 1.30 -0.64 1.86 2.04 -0.95 -3.07 117.51 118.71 2i8a h ILE 5034Ca 0.18 -0.98 0.10 0.00 1.00 0.00 0.00 64.86 65.15 2i8a h ILE 5034Cb 0.08 1.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 2i8a h ILE 5034CO -0.03 0.28 0.43 0.00 0.00 0.00 0.00 178.15 178.83 2i8a h ALA 5035N 0.68 1.97 0.00 1.87 0.00 -0.96 -2.15 119.26 120.68 2i8a h ALA 5035Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2i8a h ALA 5035Cb 0.45 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2i8a h ALA 5035CO 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.15 2i8a h ALA 5036N 1.68 1.00 -0.00 0.00 0.00 -0.95 -1.69 119.26 119.29 2i8a h ALA 5036Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2i8a h ALA 5036Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2i8a h ALA 5036CO -0.09 0.00 -0.08 1.28 0.00 0.00 0.00 179.25 180.36 2i8a n LEU 5037N -2.50 0.56 -4.77 0.00 7.99 -0.81 -4.90 117.00 112.57 2i8a n LEU 5037Ca -0.00 -0.08 -0.28 0.00 -0.01 0.00 0.00 56.01 55.64 2i8a n LEU 5037Cb 0.15 -0.12 -0.06 0.00 -0.11 0.00 0.00 43.42 43.28 2i8a n LEU 5037CO 0.18 0.10 -0.15 -0.04 -1.51 0.00 0.00 177.39 175.96 2i8a s MET 5038N -2.32 2.19 0.35 3.23 -1.94 -0.64 -5.13 119.30 115.05 2i8a s MET 5038Ca 0.33 -2.10 -0.19 0.00 -1.71 0.00 0.00 55.69 52.02 2i8a s MET 5038Cb 0.20 -1.82 -0.10 0.00 2.01 0.00 0.00 34.83 35.12 2i8a s MET 5038CO 0.44 -0.31 0.84 -0.51 -0.01 0.00 0.00 175.02 175.47 2i8a s ASP 5039N -3.96 6.94 -1.45 3.03 -0.00 -0.07 -4.35 116.67 116.81 2i8a s ASP 5039Ca 0.27 1.52 -0.01 0.00 -0.00 0.00 0.00 52.55 54.33 2i8a s ASP 5039Cb 0.02 -2.47 0.00 0.00 -0.00 0.00 0.00 42.92 40.48 2i8a s ASP 5039CO 0.15 -0.22 0.26 0.29 -0.00 0.00 0.00 175.17 175.66 2i8a n LYS 5040N -0.21 -2.27 -2.30 8.23 5.02 -1.26 -0.15 118.16 125.21 2i8a n LYS 5040Ca 0.04 0.28 -0.40 0.00 -2.02 0.00 0.00 58.31 56.21 2i8a n LYS 5040Cb 0.53 -4.11 -0.03 0.00 -0.02 0.00 0.00 35.03 31.40 2i8a n LYS 5040CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2i8a s PRO 5041N -6.89 4.36 -0.10 1.97 0.04 -1.26 -4.45 135.00 128.67 2i8a s PRO 5041Ca 0.02 1.95 -0.11 0.00 0.04 0.00 0.00 61.00 62.90 2i8a s PRO 5041Cb -0.01 -2.99 0.03 0.00 0.04 0.00 0.00 34.50 31.57 2i8a s PRO 5041CO 0.93 -0.09 0.30 0.54 0.04 0.00 0.00 177.00 178.73 2i8a s VAL 5042N -1.24 0.01 0.36 -0.36 0.11 0.11 -5.00 120.40 114.38 2i8a s VAL 5042Ca 0.50 -0.05 -0.29 0.00 -2.93 0.00 0.00 61.98 59.21 2i8a s VAL 5042Cb -0.34 -0.44 -0.11 0.00 -1.53 0.00 0.00 36.38 33.96 2i8a s VAL 5042CO 0.44 -0.03 1.53 -0.75 -3.33 0.00 0.00 175.10 172.96 2i8a s LYS 5043N 0.02 4.10 0.00 1.54 2.47 -1.26 -0.60 119.74 126.00 2i8a s LYS 5043Ca -0.01 2.60 0.00 0.00 -1.56 0.00 0.00 55.97 57.00 2i8a s LYS 5043Cb -0.02 -2.98 0.00 0.00 -1.46 0.00 0.00 37.83 33.37 2i8a s LYS 5043CO 0.01 -0.58 0.00 1.28 0.16 0.00 0.00 175.35 176.21 2i8a n LEU 5044N 0.93 0.00 -3.89 5.43 4.77 0.14 -4.81 117.00 119.56 2i8a n LEU 5044Ca 0.03 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.92 2i8a n LEU 5044Cb 0.38 -0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.30 2i8a n LEU 5044CO 0.64 -0.19 -0.10 0.00 -1.33 0.00 0.00 177.39 176.41 2i8a s ALA 5045N -3.27 -0.14 -0.10 -1.18 0.00 -1.06 -4.99 121.76 111.02 2i8a s ALA 5045Ca 0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 51.96 51.23 2i8a s ALA 5045Cb 0.00 0.54 0.04 0.00 0.00 0.00 0.00 23.12 23.70 2i8a s ALA 5045CO 0.00 -0.52 0.06 -1.12 0.00 0.00 0.00 175.76 174.18 2i8a s SER 5046N -2.88 1.77 -0.04 0.00 0.01 -1.26 -1.00 113.70 110.30 2i8a s SER 5046Ca 0.07 -0.26 -0.01 0.00 1.31 0.00 0.00 55.95 57.06 2i8a s SER 5046Cb 0.05 -0.26 0.03 0.00 0.21 0.00 0.00 66.02 66.05 2i8a s SER 5046CO -0.09 -0.28 0.04 -1.00 0.41 0.00 0.00 173.24 172.31 2i8a s HIS 5047N 2.10 0.17 0.00 2.43 3.76 -0.58 -5.00 115.29 118.17 2i8a s HIS 5047Ca 0.03 0.14 0.00 0.00 -0.15 0.00 0.00 55.06 55.08 2i8a s HIS 5047Cb -0.14 -0.45 0.00 0.00 1.11 0.00 0.00 32.58 33.10 2i8a s HIS 5047CO -0.06 -0.17 0.00 0.54 -0.85 0.00 0.00 174.74 174.20 2i8a n ARG 5048N 4.83 0.00 -0.22 1.40 5.12 -1.26 -1.23 116.66 125.30 2i8a n ARG 5048Ca -0.13 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.83 2i8a n ARG 5048Cb 0.50 0.00 0.14 0.00 -1.16 0.00 0.00 32.46 31.94 2i8a n ARG 5048CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 2i8a n GLU 5049N 14.00 1.98 -3.60 5.56 0.00 -1.26 -4.73 120.64 132.58 2i8a n GLU 5049Ca 0.00 -1.12 -0.40 0.00 0.00 0.00 0.00 57.16 55.65 2i8a n GLU 5049Cb 0.00 -1.43 -0.08 0.00 0.00 0.00 0.00 31.44 29.93 2i8a n GLU 5049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2i8a s PHE 5050N -1.64 3.49 -0.18 -1.84 0.40 -0.36 -3.78 117.98 114.06 2i8a s PHE 5050Ca 0.20 -2.20 -0.06 0.00 -0.60 0.00 0.00 56.93 54.27 2i8a s PHE 5050Cb 0.12 -3.42 -0.03 0.00 0.51 0.00 0.00 43.02 40.20 2i8a s PHE 5050CO 0.11 -0.95 0.03 0.99 0.70 0.00 0.00 175.22 176.09 2i8a s THR 5051N 0.80 4.37 -0.03 0.64 2.01 -1.26 -1.53 115.64 120.64 2i8a s THR 5051Ca 0.11 -0.18 0.06 0.00 0.31 0.00 0.00 61.69 61.98 2i8a s THR 5051Cb -0.22 -2.96 -0.01 0.00 0.01 0.00 0.00 72.50 69.31 2i8a s THR 5051CO -0.03 0.45 -0.20 -0.94 -0.69 0.00 0.00 174.62 173.21 2i8a s SER 5052N 0.58 2.45 0.15 3.53 1.04 -0.17 -1.18 113.70 120.10 2i8a s SER 5052Ca 0.01 -0.39 0.07 0.00 0.48 0.00 0.00 55.95 56.11 2i8a s SER 5052Cb -0.13 -0.49 -0.04 0.00 0.10 0.00 0.00 66.02 65.45 2i8a s SER 5052CO 0.02 0.22 -0.14 0.26 0.98 0.00 0.00 173.24 174.57 2i8a s TRP 5053N -0.24 1.52 0.15 5.02 0.52 0.46 -0.69 118.94 125.68 2i8a s TRP 5053Ca 0.02 -0.57 0.11 0.00 0.02 0.00 0.00 56.10 55.68 2i8a s TRP 5053Cb -0.10 -0.77 -0.04 0.00 -1.15 0.00 0.00 33.47 31.41 2i8a s TRP 5053CO 0.01 0.21 -0.26 0.50 0.02 0.00 0.00 176.95 177.43 2i8a s ARG 5054N -3.00 1.45 0.00 4.98 3.52 0.23 -0.44 118.95 125.69 2i8a s ARG 5054Ca 0.14 -1.39 0.00 0.00 -0.13 0.00 0.00 55.73 54.35 2i8a s ARG 5054Cb -0.03 -1.90 0.00 0.00 -1.56 0.00 0.00 34.95 31.46 2i8a s ARG 5054CO 0.04 0.44 0.00 0.00 -0.81 0.00 0.00 175.30 174.97 2i8a n ALA 5055N 0.74 0.00 -3.52 6.12 0.00 -0.14 -0.72 120.51 122.99 2i8a n ALA 5055Ca -0.16 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.14 2i8a n ALA 5055Cb 0.54 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.85 2i8a n ALA 5055CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2i8a s GLU 5056N -0.72 0.09 -0.10 0.00 2.12 0.79 -1.07 118.70 119.80 2i8a s GLU 5056Ca 0.00 0.28 0.02 0.00 0.36 0.00 0.00 54.97 55.63 2i8a s GLU 5056Cb 0.00 -0.12 0.01 0.00 0.26 0.00 0.00 34.13 34.29 2i8a s GLU 5056CO 0.00 -0.12 -0.16 -0.51 -0.54 0.00 0.00 175.26 173.93 2i8a s LEU 5057N 0.82 1.78 -1.69 2.70 1.43 -0.14 -0.89 118.68 122.69 2i8a s LEU 5057Ca -0.06 -0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 52.48 2i8a s LEU 5057Cb -0.08 -1.09 0.12 0.00 0.03 0.00 0.00 46.19 45.17 2i8a s LEU 5057CO -0.04 0.05 0.44 0.47 0.23 0.00 0.00 176.35 177.50 2i8a n ASP 5058N 3.98 -1.14 0.00 2.29 10.43 -1.26 -0.45 116.55 130.40 2i8a n ASP 5058Ca -0.20 -1.18 0.00 0.00 2.57 0.00 0.00 54.79 55.98 2i8a n ASP 5058Cb 0.52 -2.01 0.00 0.00 1.84 0.00 0.00 41.12 41.46 2i8a n ASP 5058CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2i8a n GLY 5059N -1.69 1.01 3.63 0.44 0.00 -1.26 -5.02 105.19 102.29 2i8a n GLY 5059Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 2i8a n GLY 5059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i8a s LYS 5060N -0.06 2.97 0.33 1.61 1.02 0.40 -5.09 119.74 120.92 2i8a s LYS 5060Ca 0.00 -0.47 -0.28 0.00 0.02 0.00 0.00 55.97 55.24 2i8a s LYS 5060Cb 0.00 -2.73 -0.10 0.00 -0.52 0.00 0.00 37.83 34.48 2i8a s LYS 5060CO 0.00 0.64 1.20 0.00 -0.92 0.00 0.00 175.35 176.27 2i8a s ALA 5061N -0.71 3.39 0.05 5.17 0.00 -1.26 -0.97 121.76 127.42 2i8a s ALA 5061Ca 0.11 1.06 0.03 0.00 0.00 0.00 0.00 51.96 53.16 2i8a s ALA 5061Cb -0.11 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.58 2i8a s ALA 5061CO 0.02 -0.44 -0.10 0.14 0.00 0.00 0.00 175.76 175.38 2i8a s VAL 5062N -1.21 0.78 0.02 0.00 -7.23 -0.23 -4.12 120.40 108.41 2i8a s VAL 5062Ca 0.49 -1.07 0.02 0.00 -1.81 0.00 0.00 61.98 59.61 2i8a s VAL 5062Cb -0.35 -0.78 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 2i8a s VAL 5062CO 0.45 -0.25 -0.01 -0.63 -0.31 0.00 0.00 175.10 174.36 2i8a s ILE 5063N -1.18 4.07 -0.13 -0.62 -1.09 -0.68 -0.97 121.20 120.59 2i8a s ILE 5063Ca -0.05 -0.72 0.02 0.00 -2.23 0.00 0.00 60.65 57.67 2i8a s ILE 5063Cb -0.09 -2.84 0.01 0.00 -1.58 0.00 0.00 42.46 37.96 2i8a s ILE 5063CO 0.01 0.31 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.15 2i8a s VAL 5064N -1.13 1.90 -0.05 2.92 1.01 0.41 -0.82 120.40 124.64 2i8a s VAL 5064Ca 0.21 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 2i8a s VAL 5064Cb -0.12 -1.70 0.04 0.00 0.00 0.00 0.00 36.38 34.61 2i8a s VAL 5064CO 0.12 0.52 0.11 0.00 0.00 0.00 0.00 175.10 175.84 2i8a s SER 5066N 1.32 6.27 -0.02 0.00 1.04 -0.32 -3.71 113.70 118.28 2i8a s SER 5066Ca -0.07 1.70 0.14 0.00 0.48 0.00 0.00 55.95 58.19 2i8a s SER 5066Cb -0.12 -2.52 -0.20 0.00 0.10 0.00 0.00 66.02 63.27 2i8a s SER 5066CO -0.05 -0.83 0.34 0.35 0.98 0.00 0.00 173.24 174.03 2i8a n THR 5067N -1.70 0.00 -1.91 2.02 -2.24 -0.34 -4.37 114.28 105.74 2i8a n THR 5067Ca 0.08 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2i8a n THR 5067Cb 0.53 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 2i8a n THR 5067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2i8a n GLY 5068N 1.67 -2.21 3.71 3.38 0.00 -0.45 -3.41 105.19 107.87 2i8a n GLY 5068Ca -0.02 -1.50 -0.39 0.00 0.00 0.00 0.00 46.02 44.11 2i8a n GLY 5068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2i8a s ILE 5069N -0.51 5.07 0.00 -0.61 1.01 -1.26 -4.71 121.20 120.19 2i8a s ILE 5069Ca 0.00 1.31 0.00 0.00 0.00 0.00 0.00 60.65 61.96 2i8a s ILE 5069Cb 0.00 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.49 2i8a s ILE 5069CO 0.00 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.79 2i8a n GLY 5070N 3.24 1.21 0.25 6.18 0.00 -1.26 -4.51 105.19 110.30 2i8a n GLY 5070Ca -0.02 -1.79 -0.01 0.00 0.00 0.00 0.00 46.02 44.19 2i8a n GLY 5070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2i8a h GLY 5071N 0.00 0.95 0.23 -0.02 0.00 -1.85 -2.32 103.07 100.06 2i8a h GLY 5071Ca 0.00 -0.23 0.08 0.00 0.00 0.00 0.00 47.33 47.18 2i8a h GLY 5071CO 0.00 0.12 -0.08 -2.55 0.00 0.00 0.00 176.54 174.03 2i8a h PRO 5072N 0.63 0.02 -0.42 4.80 0.11 -1.94 0.14 132.00 135.34 2i8a h PRO 5072Ca 0.30 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.26 2i8a h PRO 5072Cb 0.22 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 2i8a h PRO 5072CO -0.20 0.01 -0.30 1.03 -0.21 0.00 0.00 178.00 178.33 2i8a h SER 5073N 0.02 0.96 -0.66 -2.05 0.87 -1.77 -3.01 113.55 107.90 2i8a h SER 5073Ca 0.19 -0.40 0.02 0.00 -1.23 0.00 0.00 61.79 60.37 2i8a h SER 5073Cb 0.29 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 61.94 2i8a h SER 5073CO -0.39 1.18 0.42 0.74 -0.53 0.00 0.00 176.83 178.25 2i8a h THR 5074N 0.77 1.12 -0.47 2.23 2.02 -1.11 -2.39 112.91 115.09 2i8a h THR 5074Ca 0.08 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 2i8a h THR 5074Cb 0.87 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 2i8a h THR 5074CO 0.08 0.15 0.21 0.77 0.37 0.00 0.00 175.52 177.10 2i8a h SER 5075N 0.85 0.59 -0.06 4.18 4.64 -0.63 -0.14 113.55 122.98 2i8a h SER 5075Ca 0.26 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.51 2i8a h SER 5075Cb -0.04 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 61.90 2i8a h SER 5075CO -0.08 0.52 0.00 0.40 -0.87 0.00 0.00 176.83 176.80 2i8a h ILE 5076N 0.66 1.25 -0.40 0.95 2.04 -1.36 -2.23 117.51 118.42 2i8a h ILE 5076Ca 0.16 -0.76 -0.06 0.00 1.00 0.00 0.00 64.86 65.20 2i8a h ILE 5076Cb 0.10 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 2i8a h ILE 5076CO -0.02 0.21 0.01 0.00 0.00 0.00 0.00 178.15 178.35 2i8a h ALA 5077N 0.72 0.53 -0.42 1.87 0.00 -1.00 -1.73 119.26 119.23 2i8a h ALA 5077Ca 0.02 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2i8a h ALA 5077Cb 0.33 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2i8a h ALA 5077CO 0.00 0.30 0.12 0.28 0.00 0.00 0.00 179.25 179.95 2i8a h VAL 5078N 0.52 1.22 -0.28 0.00 2.07 -1.10 0.37 116.25 119.06 2i8a h VAL 5078Ca 0.11 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 66.92 2i8a h VAL 5078Cb 0.46 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2i8a h VAL 5078CO 0.02 0.26 0.13 -0.08 0.02 0.00 0.00 177.57 177.92 2i8a h GLU 5079N 0.53 0.26 -0.02 1.57 4.57 -1.31 -0.11 114.58 120.09 2i8a h GLU 5079Ca 0.13 -0.02 -0.22 0.00 -1.18 0.00 0.00 59.36 58.07 2i8a h GLU 5079Cb 0.28 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 2i8a h GLU 5079CO -0.00 0.18 -0.92 0.93 -1.18 0.00 0.00 179.01 178.01 2i8a h GLU 5080N 0.27 0.46 -0.90 1.92 5.08 -1.20 -1.11 114.58 119.11 2i8a h GLU 5080Ca 0.12 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 2i8a h GLU 5080Cb 0.05 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 2i8a h GLU 5080CO -0.09 1.12 0.52 -0.07 -1.00 0.00 0.00 179.01 179.48 2i8a h LEU 5081N 0.27 1.10 -0.78 1.33 3.38 -0.84 -2.09 115.31 117.67 2i8a h LEU 5081Ca -0.08 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 2i8a h LEU 5081Cb 1.55 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 2i8a h LEU 5081CO 0.16 0.86 0.31 0.00 0.09 0.00 0.00 178.44 179.86 2i8a h ALA 5082N 1.32 1.01 -0.58 1.53 0.00 -0.64 -0.38 119.26 121.53 2i8a h ALA 5082Ca 0.32 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2i8a h ALA 5082Cb -0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 2i8a h ALA 5082CO -0.06 0.64 0.38 1.96 0.00 0.00 0.00 179.25 182.18 2i8a h GLN 5083N 1.13 0.65 -0.00 0.00 4.20 -0.82 -1.77 115.11 118.50 2i8a h GLN 5083Ca 0.26 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.93 2i8a h GLN 5083Cb 0.22 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2i8a h GLN 5083CO -0.02 0.43 -0.12 1.28 -0.67 0.00 0.00 178.83 179.73 2i8a n LEU 5084N -4.47 0.19 0.00 1.46 4.77 -0.82 -4.92 117.00 113.21 2i8a n LEU 5084Ca 0.07 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 2i8a n LEU 5084Cb 0.14 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2i8a n LEU 5084CO 0.35 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2i8a n GLY 5085N 1.42 1.00 3.75 -0.72 0.00 -0.67 -4.77 105.19 105.21 2i8a n GLY 5085Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2i8a n GLY 5085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2i8a s ILE 5086N -2.00 3.45 0.00 -0.61 -1.09 -0.23 -4.53 121.20 116.18 2i8a s ILE 5086Ca 0.00 1.29 0.00 0.00 -2.23 0.00 0.00 60.65 59.71 2i8a s ILE 5086Cb 0.00 -3.82 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 2i8a s ILE 5086CO 0.00 0.24 0.00 0.54 -1.23 0.00 0.00 174.94 174.49 2i8a n ARG 5087N 2.01 4.03 -4.43 2.79 5.12 0.82 -4.26 116.66 122.74 2i8a n ARG 5087Ca 0.03 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.72 2i8a n ARG 5087Cb 0.44 -0.57 -0.16 0.00 -1.16 0.00 0.00 32.46 31.01 2i8a n ARG 5087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2i8a s THR 5088N -1.07 0.91 -0.10 0.55 2.01 -0.83 -0.75 115.64 116.36 2i8a s THR 5088Ca 0.00 -0.34 0.02 0.00 0.31 0.00 0.00 61.69 61.68 2i8a s THR 5088Cb 0.00 -0.86 0.01 0.00 0.01 0.00 0.00 72.50 71.66 2i8a s THR 5088CO 0.00 0.30 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.70 2i8a s PHE 5089N 0.75 2.03 -0.28 4.92 0.40 0.77 -1.08 117.98 125.49 2i8a s PHE 5089Ca -0.13 -0.88 0.01 0.00 -0.60 0.00 0.00 56.93 55.32 2i8a s PHE 5089Cb -0.15 -1.43 0.06 0.00 0.51 0.00 0.00 43.02 42.01 2i8a s PHE 5089CO 0.02 -0.42 -0.05 -0.51 0.70 0.00 0.00 175.22 174.96 2i8a s LEU 5090N 0.73 3.69 0.12 -0.37 1.43 -0.35 -1.46 118.68 122.47 2i8a s LEU 5090Ca -0.12 -1.34 -0.30 0.00 -1.03 0.00 0.00 54.13 51.34 2i8a s LEU 5090Cb -0.16 -1.63 -0.06 0.00 0.03 0.00 0.00 46.19 44.37 2i8a s LEU 5090CO 0.02 -0.23 1.05 -0.60 0.23 0.00 0.00 176.35 176.82 2i8a s ARG 5091N 1.18 4.61 -0.13 1.70 6.06 -0.03 -0.37 118.95 131.97 2i8a s ARG 5091Ca -0.07 1.59 0.01 0.00 -2.50 0.00 0.00 55.73 54.76 2i8a s ARG 5091Cb -0.20 -3.34 0.02 0.00 0.06 0.00 0.00 34.95 31.49 2i8a s ARG 5091CO -0.03 0.08 -0.14 -1.50 -2.50 0.00 0.00 175.30 171.20 2i8a s ILE 5092N 0.14 1.50 0.29 4.11 1.10 -1.21 -1.58 121.20 125.55 2i8a s ILE 5092Ca 0.50 -0.61 0.02 0.00 -0.51 0.00 0.00 60.65 60.05 2i8a s ILE 5092Cb -0.26 -1.39 -0.05 0.00 0.15 0.00 0.00 42.46 40.91 2i8a s ILE 5092CO 0.31 0.44 0.10 -0.83 -2.11 0.00 0.00 174.94 172.86 2i8a s GLY 5093N 1.24 1.92 0.12 1.50 0.00 -0.50 -4.19 107.32 107.41 2i8a s GLY 5093Ca -0.01 -1.84 0.07 0.00 0.00 0.00 0.00 44.72 42.94 2i8a s GLY 5093CO -0.06 -1.65 -0.09 -0.51 0.00 0.00 0.00 173.10 170.79 2i8a s THR 5094N -3.60 3.40 0.11 0.90 -4.23 -1.26 -1.47 115.64 109.49 2i8a s THR 5094Ca 0.36 -1.31 -0.14 0.00 -1.18 0.00 0.00 61.69 59.42 2i8a s THR 5094Cb 0.07 -2.61 0.02 0.00 1.34 0.00 0.00 72.50 71.32 2i8a s THR 5094CO 0.15 0.07 0.34 0.28 -0.54 0.00 0.00 174.62 174.91 2i8a s THR 5095N -1.31 0.09 0.86 3.99 -1.32 0.55 -4.87 115.64 113.63 2i8a s THR 5095Ca 0.22 -0.76 -0.09 0.00 -1.21 0.00 0.00 61.69 59.85 2i8a s THR 5095Cb -0.11 -1.22 0.17 0.00 -1.51 0.00 0.00 72.50 69.83 2i8a s THR 5095CO 0.14 -0.42 1.18 -0.83 -2.21 0.00 0.00 174.62 172.49 2i8a s GLY 5096N -2.82 1.78 0.13 6.08 0.00 -1.26 -0.40 107.32 110.82 2i8a s GLY 5096Ca 0.04 -1.50 0.05 0.00 0.00 0.00 0.00 44.72 43.31 2i8a s GLY 5096CO -0.12 -0.80 -0.12 0.00 0.00 0.00 0.00 173.10 172.06 2i8a s ALA 5097N -3.56 1.45 -0.55 3.20 0.00 -0.85 -4.48 121.76 116.96 2i8a s ALA 5097Ca 0.71 -1.34 0.05 0.00 0.00 0.00 0.00 51.96 51.38 2i8a s ALA 5097Cb -0.04 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.08 2i8a s ALA 5097CO 0.49 0.03 0.60 0.44 0.00 0.00 0.00 175.76 177.32 2i8a n ILE 5098N 0.32 0.00 -3.62 0.00 -5.35 -0.04 -3.60 119.36 107.07 2i8a n ILE 5098Ca -0.14 -0.49 -0.37 0.00 -0.27 0.00 0.00 62.75 61.48 2i8a n ILE 5098Cb 0.58 1.09 -0.07 0.00 -1.74 0.00 0.00 39.64 39.50 2i8a n ILE 5098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2i8a s GLN 5099N -0.48 3.99 0.58 6.28 -1.52 -1.24 -4.87 119.66 122.39 2i8a s GLN 5099Ca 0.05 0.09 0.28 0.00 -1.95 0.00 0.00 55.36 53.83 2i8a s GLN 5099Cb 0.04 -3.33 1.72 0.00 -0.22 0.00 0.00 33.01 31.22 2i8a s GLN 5099CO 0.07 0.47 2.21 -1.00 -0.25 0.00 0.00 175.29 176.79 2i8a h PRO 5100N 5.85 0.00 -0.62 2.91 0.13 -1.94 -2.70 132.00 135.63 2i8a h PRO 5100Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2i8a h PRO 5100Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2i8a h PRO 5100CO 0.68 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.17 2i8a n HIS 5101N -3.94 1.22 -3.43 1.56 8.25 -1.26 -4.82 115.22 112.80 2i8a n HIS 5101Ca -0.02 -0.59 -0.41 0.00 -0.26 0.00 0.00 57.72 56.45 2i8a n HIS 5101Cb 0.13 -0.16 -0.10 0.00 1.12 0.00 0.00 29.99 30.98 2i8a n HIS 5101CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2i8a s ILE 5102N -1.60 5.20 0.20 1.59 1.01 -1.02 -5.07 121.20 121.50 2i8a s ILE 5102Ca 0.47 -0.04 -0.01 0.00 0.00 0.00 0.00 60.65 61.08 2i8a s ILE 5102Cb 0.29 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 2i8a s ILE 5102CO 0.25 -0.08 0.39 0.20 0.00 0.00 0.00 174.94 175.69 2i8a s ASN 5103N 1.73 6.39 0.21 3.58 0.01 -1.26 -4.88 114.94 120.73 2i8a s ASN 5103Ca 0.10 0.40 -0.32 0.00 -0.71 0.00 0.00 52.86 52.33 2i8a s ASN 5103Cb -0.17 -2.01 -0.13 0.00 0.41 0.00 0.00 41.25 39.35 2i8a s ASN 5103CO 0.11 -0.03 1.55 0.52 -1.51 0.00 0.00 177.10 177.74 2i8a n VAL 5104N -0.62 0.47 0.00 1.60 0.31 -1.26 -1.50 118.33 117.33 2i8a n VAL 5104Ca -0.05 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2i8a n VAL 5104Cb 0.54 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 2i8a n VAL 5104CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2i8a n GLY 5105N 2.89 3.02 3.76 2.92 0.00 0.49 -5.01 105.19 113.26 2i8a n GLY 5105Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2i8a n GLY 5105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2i8a s ASP 5106N -1.15 4.55 -0.09 1.61 1.01 -0.56 -4.74 116.67 117.30 2i8a s ASP 5106Ca 0.00 1.93 0.01 0.00 0.71 0.00 0.00 52.55 55.20 2i8a s ASP 5106Cb 0.00 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.37 2i8a s ASP 5106CO 0.00 -2.01 -0.10 -0.69 0.21 0.00 0.00 175.17 172.58 2i8a s VAL 5107N -2.67 3.39 -0.14 -1.27 1.01 0.13 -1.23 120.40 119.62 2i8a s VAL 5107Ca 0.64 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 2i8a s VAL 5107Cb -0.19 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 2i8a s VAL 5107CO 0.51 0.57 -0.12 -0.76 0.00 0.00 0.00 175.10 175.29 2i8a s LEU 5108N -0.37 2.74 -0.19 3.92 1.43 0.34 -0.49 118.68 126.06 2i8a s LEU 5108Ca 0.05 -0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 52.80 2i8a s LEU 5108Cb -0.12 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 2i8a s LEU 5108CO 0.02 0.15 -0.10 -0.69 0.23 0.00 0.00 176.35 175.97 2i8a s VAL 5109N 0.42 3.05 -0.24 -1.59 1.01 0.11 -0.80 120.40 122.36 2i8a s VAL 5109Ca -0.10 -0.62 -0.19 0.00 0.00 0.00 0.00 61.98 61.08 2i8a s VAL 5109Cb -0.16 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 2i8a s VAL 5109CO 0.05 0.47 0.55 -0.89 0.00 0.00 0.00 175.10 175.28 2i8a s THR 5110N 1.09 5.06 0.04 3.92 2.01 -0.72 -1.71 115.64 125.33 2i8a s THR 5110Ca 0.00 0.97 -0.00 0.00 0.31 0.00 0.00 61.69 62.98 2i8a s THR 5110Cb -0.15 -3.86 -0.26 0.00 0.01 0.00 0.00 72.50 68.24 2i8a s THR 5110CO -0.02 0.11 0.99 0.71 -0.69 0.00 0.00 174.62 175.72 2i8a h THR 5111N 5.30 1.32 -2.33 -0.82 1.35 -1.33 -3.40 112.91 112.99 2i8a h THR 5111Ca -0.30 -2.98 0.14 0.00 -0.55 0.00 0.00 66.41 62.72 2i8a h THR 5111Cb 1.14 2.80 -0.12 0.00 -1.73 0.00 0.00 68.15 70.24 2i8a h THR 5111CO 0.74 0.84 0.48 0.00 -0.25 0.00 0.00 175.52 177.33 2i8a s ALA 5112N -2.64 -1.74 0.02 6.62 0.00 -1.25 -0.67 121.76 122.10 2i8a s ALA 5112Ca -0.05 0.56 0.06 0.00 0.00 0.00 0.00 51.96 52.53 2i8a s ALA 5112Cb 0.08 0.54 -0.02 0.00 0.00 0.00 0.00 23.12 23.71 2i8a s ALA 5112CO 0.85 -0.87 -0.18 -1.12 0.00 0.00 0.00 175.76 174.45 2i8a s SER 5113N -2.72 2.11 0.02 0.00 0.01 -0.10 -2.03 113.70 110.99 2i8a s SER 5113Ca 0.08 -0.43 -0.30 0.00 1.31 0.00 0.00 55.95 56.62 2i8a s SER 5113Cb -0.01 -0.19 -0.06 0.00 0.21 0.00 0.00 66.02 65.97 2i8a s SER 5113CO -0.04 0.15 1.43 -0.69 0.41 0.00 0.00 173.24 174.51 2i8a s VAL 5114N -0.66 3.60 -1.17 3.43 1.01 0.12 -4.36 120.40 122.37 2i8a s VAL 5114Ca 0.06 1.00 -0.16 0.00 0.00 0.00 0.00 61.98 62.88 2i8a s VAL 5114Cb -0.08 -3.65 0.14 0.00 0.00 0.00 0.00 36.38 32.80 2i8a s VAL 5114CO 0.01 0.00 1.44 -0.13 0.00 0.00 0.00 175.10 176.42 2i8a s ARG 5115N 2.36 3.96 -0.48 2.72 0.52 -1.26 -1.51 118.95 125.26 2i8a s ARG 5115Ca 0.65 -2.26 0.03 0.00 -0.52 0.00 0.00 55.73 53.64 2i8a s ARG 5115Cb -0.33 -5.15 0.61 0.00 0.52 0.00 0.00 34.95 30.60 2i8a s ARG 5115CO 0.27 -1.89 1.90 1.28 0.02 0.00 0.00 175.30 176.89 2i8a n LEU 5116N 6.50 6.73 -4.75 2.53 4.77 -0.27 -4.95 117.00 127.55 2i8a n LEU 5116Ca 0.37 -3.79 -0.31 0.00 -0.03 0.00 0.00 56.01 52.24 2i8a n LEU 5116Cb 0.45 -0.85 -0.08 0.00 -2.33 0.00 0.00 43.42 40.62 2i8a n LEU 5116CO 0.63 1.18 -0.23 1.51 -1.33 0.00 0.00 177.39 179.15 2i8a s ASP 5117N -1.55 4.14 -0.19 -1.43 3.84 -1.19 -1.55 116.67 118.75 2i8a s ASP 5117Ca 0.58 -1.56 0.07 0.00 -0.00 0.00 0.00 52.55 51.64 2i8a s ASP 5117Cb 0.48 0.35 -0.16 0.00 -1.38 0.00 0.00 42.92 42.20 2i8a s ASP 5117CO 0.07 -0.80 -0.08 0.61 -0.00 0.00 0.00 175.17 174.97 2i8a n GLY 5118N -1.26 -0.50 0.23 2.12 0.00 -1.26 -4.69 105.19 99.83 2i8a n GLY 5118Ca -0.15 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2i8a n GLY 5118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i8a h ALA 5119N 0.33 1.35 -0.79 4.61 0.00 -1.98 -2.37 119.26 120.41 2i8a h ALA 5119Ca -0.45 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 54.29 2i8a h ALA 5119Cb 1.84 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 2i8a h ALA 5119CO -0.03 0.44 0.52 0.66 0.00 0.00 0.00 179.25 180.84 2i8a h SER 5120N 0.28 0.66 0.51 0.00 4.64 -1.84 -0.40 113.55 117.40 2i8a h SER 5120Ca 0.05 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2i8a h SER 5120Cb 0.50 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2i8a h SER 5120CO 0.03 0.39 0.00 0.18 -0.87 0.00 0.00 176.83 176.56 2i8a n LEU 5121N -4.51 0.29 -0.04 5.97 4.77 -0.89 -1.13 117.00 121.46 2i8a n LEU 5121Ca 0.13 0.58 0.14 0.00 -0.03 0.00 0.00 56.01 56.84 2i8a n LEU 5121Cb 0.33 -0.55 0.68 0.00 -2.33 0.00 0.00 43.42 41.55 2i8a n LEU 5121CO 0.32 -0.44 0.94 1.41 -1.33 0.00 0.00 177.39 178.30 2i8a n HIS 5122N -1.83 0.00 -0.01 -1.77 8.25 -0.16 -4.06 115.22 115.64 2i8a n HIS 5122Ca 0.02 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.47 2i8a n HIS 5122Cb 0.17 -0.26 -0.02 0.00 1.12 0.00 0.00 29.99 31.00 2i8a n HIS 5122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2i8a n PHE 5123N -1.19 0.00 -3.63 4.41 3.01 -0.28 -5.09 117.46 114.70 2i8a n PHE 5123Ca 0.14 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.44 2i8a n PHE 5123Cb 0.26 -0.13 -0.07 0.00 -0.01 0.00 0.00 39.48 39.54 2i8a n PHE 5123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2i8a s ALA 5124N -2.06 -1.31 0.78 4.37 0.00 -0.78 -5.00 121.76 117.75 2i8a s ALA 5124Ca -0.02 0.83 -0.11 0.00 0.00 0.00 0.00 51.96 52.66 2i8a s ALA 5124Cb 0.01 0.07 0.06 0.00 0.00 0.00 0.00 23.12 23.27 2i8a s ALA 5124CO 0.10 -0.34 1.10 -1.25 0.00 0.00 0.00 175.76 175.36 2i8a s PRO 5125N -1.39 2.16 0.50 0.00 0.04 -1.26 -3.94 135.00 131.11 2i8a s PRO 5125Ca -0.11 1.21 0.28 0.00 0.04 0.00 0.00 61.00 62.41 2i8a s PRO 5125Cb -0.02 -1.88 1.38 0.00 0.04 0.00 0.00 34.50 34.01 2i8a s PRO 5125CO 0.06 -1.73 1.88 1.98 0.04 0.00 0.00 177.00 179.24 2i8a h MET 5126N -1.17 0.11 -0.14 4.56 4.05 -1.94 -1.21 114.93 119.19 2i8a h MET 5126Ca -0.44 -0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.02 2i8a h MET 5126Cb 1.23 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 32.01 2i8a h MET 5126CO 0.50 0.07 0.11 0.93 0.23 0.00 0.00 176.91 178.76 2i8a h GLU 5127N 0.11 0.00 -6.66 0.39 3.07 -2.04 -3.43 114.58 106.02 2i8a h GLU 5127Ca 0.44 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.78 2i8a h GLU 5127Cb 1.57 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.48 2i8a h GLU 5127CO -0.06 0.00 0.49 0.12 -1.40 0.00 0.00 179.01 178.17 2i8a s PHE 5128N -4.95 3.55 0.10 4.33 2.19 -0.46 -5.00 117.98 117.76 2i8a s PHE 5128Ca -0.05 1.56 -0.30 0.00 0.33 0.00 0.00 56.93 58.47 2i8a s PHE 5128Cb 0.17 -3.31 -0.06 0.00 -1.31 0.00 0.00 43.02 38.52 2i8a s PHE 5128CO 0.65 -0.73 0.98 -1.25 1.83 0.00 0.00 175.22 176.70 2i8a s PRO 5129N -0.38 4.67 -1.34 10.12 0.04 -1.26 -4.95 135.00 141.90 2i8a s PRO 5129Ca 0.50 1.48 -0.16 0.00 0.04 0.00 0.00 61.00 62.85 2i8a s PRO 5129Cb -0.30 -3.38 0.03 0.00 0.04 0.00 0.00 34.50 30.90 2i8a s PRO 5129CO 0.36 0.16 2.00 0.00 0.04 0.00 0.00 177.00 179.56 2i8a n ALA 5130N 2.89 4.45 -2.65 8.56 0.00 -1.26 -4.73 120.51 127.77 2i8a n ALA 5130Ca 0.03 -3.80 -0.34 0.00 0.00 0.00 0.00 53.44 49.33 2i8a n ALA 5130Cb 0.49 -3.57 -0.11 0.00 0.00 0.00 0.00 19.45 16.26 2i8a n ALA 5130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2i8a s VAL 5131N 4.07 3.98 0.59 0.00 0.11 -1.26 -0.92 120.40 126.97 2i8a s VAL 5131Ca 0.51 -0.37 -0.14 0.00 -2.93 0.00 0.00 61.98 59.05 2i8a s VAL 5131Cb 0.09 -2.65 -0.04 0.00 -1.53 0.00 0.00 36.38 32.25 2i8a s VAL 5131CO 0.00 0.59 1.03 0.00 -3.33 0.00 0.00 175.10 173.40 2i8a s ALA 5132N -0.76 2.88 0.33 1.54 0.00 0.16 -4.66 121.76 121.25 2i8a s ALA 5132Ca 0.12 0.21 -0.28 0.00 0.00 0.00 0.00 51.96 52.00 2i8a s ALA 5132Cb -0.11 -3.17 -0.10 0.00 0.00 0.00 0.00 23.12 19.74 2i8a s ALA 5132CO 0.02 -0.69 1.25 0.34 0.00 0.00 0.00 175.76 176.68 2i8a s ASP 5133N -3.24 6.84 0.18 0.00 -1.08 0.65 -4.94 116.67 115.08 2i8a s ASP 5133Ca 0.60 2.57 -0.06 0.00 -0.52 0.00 0.00 52.55 55.14 2i8a s ASP 5133Cb -0.13 -2.64 0.09 0.00 -1.46 0.00 0.00 42.92 38.78 2i8a s ASP 5133CO 0.41 -0.48 1.55 0.15 0.52 0.00 0.00 175.17 177.32 2i8a h PHE 5134N 3.38 0.92 -0.69 -5.34 3.57 -1.96 -1.36 116.94 115.45 2i8a h PHE 5134Ca -0.48 -0.26 -0.01 0.00 3.53 0.00 0.00 57.97 60.75 2i8a h PHE 5134Cb 1.22 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 2i8a h PHE 5134CO 0.56 1.02 0.41 0.00 -2.23 0.00 0.00 178.31 178.07 2i8a h ALA 5135N 0.95 0.89 -0.03 2.41 0.00 -1.96 0.42 119.26 121.93 2i8a h ALA 5135Ca 0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2i8a h ALA 5135Cb 0.90 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2i8a h ALA 5135CO 0.08 0.38 0.01 0.00 0.00 0.00 0.00 179.25 179.72 2i8a h THR 5137N -0.12 1.06 0.03 0.00 2.02 -1.13 -0.70 112.91 114.08 2i8a h THR 5137Ca 0.01 -0.21 0.02 0.00 0.77 0.00 0.00 66.41 66.99 2i8a h THR 5137Cb 0.17 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 2i8a h THR 5137CO -0.00 0.11 -0.12 0.74 0.37 0.00 0.00 175.52 176.62 2i8a h THR 5138N 0.62 0.70 -1.00 3.16 2.02 -0.81 -0.51 112.91 117.09 2i8a h THR 5138Ca 0.20 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.46 2i8a h THR 5138Cb 0.01 0.70 -0.07 0.00 -1.74 0.00 0.00 68.15 67.05 2i8a h THR 5138CO -0.09 0.00 0.65 0.00 0.37 0.00 0.00 175.52 176.45 2i8a h ALA 5139N 0.72 1.43 -0.20 6.16 0.00 -0.68 0.04 119.26 126.73 2i8a h ALA 5139Ca 0.03 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2i8a h ALA 5139Cb 0.26 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2i8a h ALA 5139CO -0.10 0.39 -0.11 -0.07 0.00 0.00 0.00 179.25 179.36 2i8a h LEU 5140N 1.13 0.44 -0.56 0.00 3.38 -0.67 -0.92 115.31 118.12 2i8a h LEU 5140Ca 0.45 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2i8a h LEU 5140Cb 0.25 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2i8a h LEU 5140CO -0.20 0.77 0.21 0.58 0.09 0.00 0.00 178.44 179.89 2i8a h VAL 5141N 0.12 1.23 -0.48 1.22 2.07 -0.83 -0.66 116.25 118.91 2i8a h VAL 5141Ca 0.04 -0.73 -0.08 0.00 0.82 0.00 0.00 66.70 66.75 2i8a h VAL 5141Cb 0.61 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2i8a h VAL 5141CO 0.03 0.28 -0.02 -0.33 0.02 0.00 0.00 177.57 177.55 2i8a h GLU 5142N 0.78 0.81 -0.48 1.57 5.08 -0.95 -1.75 114.58 119.64 2i8a h GLU 5142Ca 0.19 -0.23 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 2i8a h GLU 5142Cb 0.23 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2i8a h GLU 5142CO -0.01 0.83 -0.14 0.00 -1.00 0.00 0.00 179.01 178.69 2i8a h ALA 5143N 1.22 0.66 -0.81 3.43 0.00 -0.90 -2.22 119.26 120.64 2i8a h ALA 5143Ca 0.14 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.70 2i8a h ALA 5143Cb 0.48 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2i8a h ALA 5143CO 0.02 0.59 0.53 0.00 0.00 0.00 0.00 179.25 180.40 2i8a h ALA 5144N 0.88 1.03 -0.59 0.00 0.00 -0.82 -2.73 119.26 117.04 2i8a h ALA 5144Ca 0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2i8a h ALA 5144Cb 0.70 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2i8a h ALA 5144CO 0.05 0.45 0.20 0.87 0.00 0.00 0.00 179.25 180.82 2i8a h LYS 5145N 1.10 0.90 0.00 0.00 1.57 -1.23 -2.05 116.57 116.86 2i8a h LYS 5145Ca 0.30 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2i8a h LYS 5145Cb -0.12 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.06 2i8a h LYS 5145CO -0.06 0.80 0.00 0.66 -0.57 0.00 0.00 179.45 180.27 2i8a h SER 5146N 0.82 0.00 -0.15 0.86 4.64 -1.08 -1.50 113.55 117.15 2i8a h SER 5146Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2i8a h SER 5146Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2i8a h SER 5146CO -0.01 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.25 2i8a n ILE 5147N -2.93 0.80 -1.71 0.95 -5.35 -1.17 -5.02 119.36 104.93 2i8a n ILE 5147Ca -0.02 -0.90 -0.10 0.00 -0.27 0.00 0.00 62.75 61.46 2i8a n ILE 5147Cb 0.11 0.62 -0.02 0.00 -1.74 0.00 0.00 39.64 38.61 2i8a n ILE 5147CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2i8a n GLY 5148N 0.08 0.57 3.76 3.28 0.00 -0.56 -5.02 105.19 107.30 2i8a n GLY 5148Ca 0.05 -0.55 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 2i8a n GLY 5148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i8a s ALA 5149N -2.41 2.62 -0.50 4.61 0.00 -0.80 -4.97 121.76 120.30 2i8a s ALA 5149Ca 0.00 1.02 -0.27 0.00 0.00 0.00 0.00 51.96 52.71 2i8a s ALA 5149Cb 0.00 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.70 2i8a s ALA 5149CO 0.00 -1.10 1.06 0.99 0.00 0.00 0.00 175.76 176.71 2i8a s THR 5150N -1.57 4.27 -0.10 0.00 2.01 -1.26 -4.77 115.64 114.21 2i8a s THR 5150Ca 0.75 0.89 -0.01 0.00 0.31 0.00 0.00 61.69 63.63 2i8a s THR 5150Cb -0.31 -4.57 -0.03 0.00 0.01 0.00 0.00 72.50 67.60 2i8a s THR 5150CO 0.34 -1.04 -0.06 -0.89 -0.69 0.00 0.00 174.62 172.28 2i8a s THR 5151N 4.29 3.76 -0.11 -0.82 2.01 -1.26 -0.69 115.64 122.82 2i8a s THR 5151Ca 0.41 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 62.00 2i8a s THR 5151Cb -0.09 -2.58 -0.01 0.00 0.01 0.00 0.00 72.50 69.83 2i8a s THR 5151CO 0.27 0.56 -0.18 -1.00 -0.69 0.00 0.00 174.62 173.58 2i8a s HIS 5152N -0.32 2.70 -0.16 4.92 3.76 0.36 -4.96 115.29 121.59 2i8a s HIS 5152Ca 0.05 -0.78 0.01 0.00 -0.15 0.00 0.00 55.06 54.19 2i8a s HIS 5152Cb -0.12 -1.78 0.01 0.00 1.11 0.00 0.00 32.58 31.80 2i8a s HIS 5152CO 0.02 -0.28 -0.19 0.08 -0.85 0.00 0.00 174.74 173.53 2i8a s VAL 5153N 0.29 2.25 -2.62 -0.90 1.01 -1.26 -0.71 120.40 118.46 2i8a s VAL 5153Ca -0.13 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 60.95 2i8a s VAL 5153Cb -0.16 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.28 2i8a s VAL 5153CO 0.07 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.31 2i8a n GLY 5154N 4.32 -0.60 3.83 4.51 0.00 -0.70 -4.95 105.19 111.60 2i8a n GLY 5154Ca -0.20 -0.66 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 2i8a n GLY 5154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2i8a s VAL 5155N -3.62 4.92 0.03 1.61 1.01 -1.26 -0.84 120.40 122.26 2i8a s VAL 5155Ca 0.00 0.98 0.09 0.00 0.00 0.00 0.00 61.98 63.04 2i8a s VAL 5155Cb 0.00 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2i8a s VAL 5155CO 0.00 0.57 -0.25 -0.89 0.00 0.00 0.00 175.10 174.53 2i8a s THR 5156N -1.08 2.03 -0.22 3.92 2.01 -0.86 -0.49 115.64 120.95 2i8a s THR 5156Ca 0.26 -1.30 -0.12 0.00 0.31 0.00 0.00 61.69 60.83 2i8a s THR 5156Cb -0.18 -1.73 -0.05 0.00 0.01 0.00 0.00 72.50 70.56 2i8a s THR 5156CO 0.15 0.37 0.24 0.00 -0.69 0.00 0.00 174.62 174.70 2i8a s ALA 5157N -0.76 3.60 -0.31 7.40 0.00 0.77 -0.70 121.76 131.76 2i8a s ALA 5157Ca 0.11 -0.72 -0.00 0.00 0.00 0.00 0.00 51.96 51.34 2i8a s ALA 5157Cb -0.10 -2.41 0.06 0.00 0.00 0.00 0.00 23.12 20.68 2i8a s ALA 5157CO 0.01 -0.17 0.00 0.45 0.00 0.00 0.00 175.76 176.06 2i8a s SER 5158N 0.94 4.82 -0.06 0.00 0.15 -0.57 -1.38 113.70 117.60 2i8a s SER 5158Ca 0.12 -1.48 -0.00 0.00 0.70 0.00 0.00 55.95 55.29 2i8a s SER 5158Cb -0.14 -1.68 -0.03 0.00 -1.71 0.00 0.00 66.02 62.46 2i8a s SER 5158CO 0.05 -0.29 -0.02 -0.55 1.20 0.00 0.00 173.24 173.63 2i8a s SER 5159N 1.25 5.03 0.00 5.45 0.15 0.60 -1.12 113.70 125.07 2i8a s SER 5159Ca -0.03 0.06 0.23 0.00 0.70 0.00 0.00 55.95 56.91 2i8a s SER 5159Cb -0.20 -1.35 1.19 0.00 -1.71 0.00 0.00 66.02 63.95 2i8a s SER 5159CO -0.03 0.35 1.77 0.47 1.20 0.00 0.00 173.24 176.99 2i8a n ASP 5160N 1.97 0.00 -4.13 5.45 10.43 -0.59 -4.27 116.55 125.40 2i8a n ASP 5160Ca -0.17 -0.10 -0.15 0.00 2.57 0.00 0.00 54.79 56.94 2i8a n ASP 5160Cb 0.53 -0.26 -0.11 0.00 1.84 0.00 0.00 41.12 43.12 2i8a n ASP 5160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2i8a s THR 5161N -2.53 0.83 0.14 -3.53 -4.23 -1.26 -5.02 115.64 100.03 2i8a s THR 5161Ca 0.23 -1.37 0.05 0.00 -1.18 0.00 0.00 61.69 59.42 2i8a s THR 5161Cb 0.16 -1.03 -0.19 0.00 1.34 0.00 0.00 72.50 72.78 2i8a s THR 5161CO 0.35 -0.43 1.31 0.15 -0.54 0.00 0.00 174.62 175.47 2i8a h PHE 5162N 4.05 0.13 0.00 3.99 3.04 -1.97 -3.38 116.94 122.80 2i8a h PHE 5162Ca -0.38 -0.09 0.00 0.00 3.98 0.00 0.00 57.97 61.49 2i8a h PHE 5162Cb 1.19 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.69 2i8a h PHE 5162CO 0.64 1.00 0.00 0.66 -2.02 0.00 0.00 178.31 178.58 2i8a n TYR 5163N -3.49 0.00 0.15 0.41 4.02 -1.26 -4.39 117.16 112.60 2i8a n TYR 5163Ca -0.02 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.88 2i8a n TYR 5163Cb 0.89 0.00 0.34 0.00 -0.02 0.00 0.00 39.34 40.55 2i8a n TYR 5163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2i8a h PRO 5164N 0.00 0.12 0.00 -0.72 0.13 -1.87 -1.53 132.00 128.13 2i8a h PRO 5164Ca 0.00 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2i8a h PRO 5164Cb 0.00 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.12 2i8a h PRO 5164CO 0.00 0.42 -0.02 0.78 -0.23 0.00 0.00 178.00 178.95 2i8a h GLY 5165N 1.02 0.00 -2.32 1.56 0.00 -1.86 -1.05 103.07 100.42 2i8a h GLY 5165Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2i8a h GLY 5165CO 0.04 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.52 2i8a n GLN 5166N -3.17 3.48 -3.93 4.80 6.02 -0.70 -4.94 117.38 118.94 2i8a n GLN 5166Ca -0.01 -2.76 -0.29 0.00 -0.01 0.00 0.00 57.00 53.93 2i8a n GLN 5166Cb 0.22 -1.81 0.01 0.00 1.02 0.00 0.00 30.24 29.68 2i8a n GLN 5166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2i8a n GLU 5167N 0.43 -4.86 -3.05 -1.09 2.13 -0.40 -4.92 120.64 108.88 2i8a n GLU 5167Ca 0.22 0.55 -0.40 0.00 0.66 0.00 0.00 57.16 58.19 2i8a n GLU 5167Cb 0.85 -5.29 -0.05 0.00 0.27 0.00 0.00 31.44 27.22 2i8a n GLU 5167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2i8a s ARG 5168N -6.56 4.37 0.00 5.31 0.52 -0.66 -4.95 118.95 116.98 2i8a s ARG 5168Ca 0.51 0.83 0.16 0.00 -0.52 0.00 0.00 55.73 56.70 2i8a s ARG 5168Cb -0.26 -3.49 -0.02 0.00 0.52 0.00 0.00 34.95 31.71 2i8a s ARG 5168CO 0.85 -0.04 0.82 0.66 0.02 0.00 0.00 175.30 177.62 2i8a n TYR 5169N 4.19 0.00 -1.94 -0.53 4.02 -1.26 -4.36 117.16 117.28 2i8a n TYR 5169Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 2i8a n TYR 5169Cb 0.51 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.82 2i8a n TYR 5169CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 2i8a n ASP 5170N -0.22 5.52 -4.23 7.72 5.75 -1.26 -4.20 116.55 125.63 2i8a n ASP 5170Ca 0.06 -2.95 -0.13 0.00 -0.01 0.00 0.00 54.79 51.76 2i8a n ASP 5170Cb 0.32 -1.54 -0.10 0.00 -1.03 0.00 0.00 41.12 38.77 2i8a n ASP 5170CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2i8a s THR 5171N 1.42 0.18 0.18 2.12 -4.23 -1.26 -5.03 115.64 109.02 2i8a s THR 5171Ca 0.48 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.80 2i8a s THR 5171Cb 0.13 -2.53 0.13 0.00 1.34 0.00 0.00 72.50 71.57 2i8a s THR 5171CO -0.05 -0.01 1.61 0.22 -0.54 0.00 0.00 174.62 175.85 2i8a h TYR 5172N 2.56 -0.66 0.05 3.99 5.03 -1.99 -2.95 116.97 122.99 2i8a h TYR 5172Ca -0.37 0.06 -0.26 0.00 2.58 0.00 0.00 58.73 60.74 2i8a h TYR 5172Cb 1.25 0.37 -0.02 0.00 1.55 0.00 0.00 36.73 39.87 2i8a h TYR 5172CO 0.39 -0.33 -1.28 0.66 -1.32 0.00 0.00 178.16 176.27 2i8a h SER 5173N -0.14 0.15 0.00 -2.11 4.64 -1.97 -3.47 113.55 110.64 2i8a h SER 5173Ca 0.22 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2i8a h SER 5173Cb 0.50 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2i8a h SER 5173CO -0.58 1.15 0.00 0.61 -0.87 0.00 0.00 176.83 177.15 2i8a n GLY 5174N 1.49 0.37 3.64 -0.77 0.00 -1.12 -5.00 105.19 103.80 2i8a n GLY 5174Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 2i8a n GLY 5174CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2i8a s ARG 5175N -0.59 2.68 -0.09 1.61 3.52 -1.26 -4.88 118.95 119.93 2i8a s ARG 5175Ca 0.00 -0.66 0.02 0.00 -0.13 0.00 0.00 55.73 54.96 2i8a s ARG 5175Cb 0.00 -2.59 0.01 0.00 -1.56 0.00 0.00 34.95 30.81 2i8a s ARG 5175CO 0.00 0.61 -0.16 0.08 -0.81 0.00 0.00 175.30 175.03 2i8a s VAL 5176N -1.04 1.46 0.58 7.11 1.01 -1.26 -4.91 120.40 123.35 2i8a s VAL 5176Ca 0.18 -0.65 -0.19 0.00 0.00 0.00 0.00 61.98 61.32 2i8a s VAL 5176Cb -0.11 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 2i8a s VAL 5176CO 0.09 0.43 1.06 0.55 0.00 0.00 0.00 175.10 177.23 2i8a n VAL 5177N 3.94 3.76 -0.31 2.92 3.14 -1.26 -4.55 118.33 125.96 2i8a n VAL 5177Ca -0.20 -0.50 0.14 0.00 -2.96 0.00 0.00 64.34 60.82 2i8a n VAL 5177Cb 0.52 -1.27 0.30 0.00 -1.06 0.00 0.00 33.84 32.33 2i8a n VAL 5177CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 2i8a h ARG 5178N 0.72 0.10 -0.88 1.45 2.43 -2.00 0.79 114.38 116.99 2i8a h ARG 5178Ca -0.49 -0.01 0.16 0.00 -0.81 0.00 0.00 59.98 58.84 2i8a h ARG 5178Cb 1.35 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.81 2i8a h ARG 5178CO 0.52 0.07 0.57 -0.09 -1.51 0.00 0.00 179.97 179.53 2i8a h ARG 5179N 0.10 0.57 -0.00 0.20 2.43 -2.02 -2.53 114.38 113.13 2i8a h ARG 5179Ca 0.57 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.71 2i8a h ARG 5179Cb 1.19 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2i8a h ARG 5179CO -0.77 0.38 -0.69 1.19 -1.51 0.00 0.00 179.97 178.57 2i8a n PHE 5180N -4.55 0.00 -1.82 2.20 3.01 0.20 -4.76 117.46 111.74 2i8a n PHE 5180Ca 0.18 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.22 2i8a n PHE 5180Cb 0.54 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.98 2i8a n PHE 5180CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2i8a s LYS 5181N -2.50 4.14 0.00 -1.08 1.02 -0.79 -1.79 119.74 118.74 2i8a s LYS 5181Ca 0.10 2.40 0.00 0.00 0.02 0.00 0.00 55.97 58.49 2i8a s LYS 5181Cb 0.14 -4.09 0.00 0.00 -0.52 0.00 0.00 37.83 33.36 2i8a s LYS 5181CO 0.64 -0.93 0.00 0.41 -0.92 0.00 0.00 175.35 174.55 2i8a n GLY 5182N 4.39 0.77 0.25 -3.33 0.00 -1.26 -4.94 105.19 101.07 2i8a n GLY 5182Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 2i8a n GLY 5182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2i8a h SER 5183N 0.00 0.78 -0.52 1.61 4.64 -1.65 -2.96 113.55 115.46 2i8a h SER 5183Ca 0.00 -0.35 0.02 0.00 -0.47 0.00 0.00 61.79 60.99 2i8a h SER 5183Cb 0.00 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 61.84 2i8a h SER 5183CO 0.00 1.07 0.32 -0.03 -0.87 0.00 0.00 176.83 177.33 2i8a h MET 5184N 0.61 0.63 -0.66 4.77 -1.53 -1.91 -0.56 114.93 116.27 2i8a h MET 5184Ca 0.06 -0.04 0.07 0.00 -3.44 0.00 0.00 59.70 56.35 2i8a h MET 5184Cb 0.92 -0.14 -0.06 0.00 -0.55 0.00 0.00 31.60 31.77 2i8a h MET 5184CO 0.08 0.41 0.35 1.49 0.14 0.00 0.00 176.91 179.38 2i8a h GLU 5185N 0.65 0.61 0.10 0.39 4.22 -1.96 0.90 114.58 119.48 2i8a h GLU 5185Ca 0.20 -0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.60 2i8a h GLU 5185Cb -0.01 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.11 2i8a h GLU 5185CO -0.08 0.40 -0.05 0.93 -2.18 0.00 0.00 179.01 178.03 2i8a h GLU 5186N 0.63 -0.13 -0.87 1.92 5.08 -1.19 -0.96 114.58 119.06 2i8a h GLU 5186Ca 0.31 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2i8a h GLU 5186Cb 0.24 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 2i8a h GLU 5186CO -0.21 0.01 0.53 -1.49 -1.00 0.00 0.00 179.01 176.85 2i8a h TRP 5187N -0.24 1.14 -0.30 4.33 -0.00 -0.80 -1.68 115.95 118.40 2i8a h TRP 5187Ca -0.01 0.00 0.05 0.00 -0.00 0.00 0.00 58.89 58.93 2i8a h TRP 5187Cb 0.20 -0.38 -0.05 0.00 -0.00 0.00 0.00 29.16 28.94 2i8a h TRP 5187CO -0.04 0.76 0.01 0.37 -0.00 0.00 0.00 178.44 179.54 2i8a h GLN 5188N 1.20 0.10 0.00 0.49 4.15 -0.66 -1.16 115.11 119.22 2i8a h GLN 5188Ca 0.31 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.68 2i8a h GLN 5188Cb -0.06 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 2i8a h GLN 5188CO -0.06 0.07 -0.20 0.00 -1.93 0.00 0.00 178.83 176.70 2i8a h ALA 5189N 1.25 1.49 -0.03 3.38 0.00 -0.75 -1.65 119.26 122.96 2i8a h ALA 5189Ca 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2i8a h ALA 5189Cb 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2i8a h ALA 5189CO -0.23 0.25 0.00 -1.33 0.00 0.00 0.00 179.25 177.94 2i8a n MET 5190N -4.05 1.21 -0.84 0.00 2.81 -0.67 -4.93 117.12 110.66 2i8a n MET 5190Ca -0.02 -0.31 0.00 0.00 -1.81 0.00 0.00 57.70 55.56 2i8a n MET 5190Cb 0.28 -1.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 2i8a n MET 5190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2i8a n GLY 5191N 0.98 0.60 3.74 3.03 0.00 -0.62 -5.02 105.19 107.90 2i8a n GLY 5191Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2i8a n GLY 5191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2i8a s VAL 5192N -2.11 2.40 0.02 1.61 1.01 -0.52 -4.61 120.40 118.20 2i8a s VAL 5192Ca 0.00 0.32 -0.11 0.00 0.00 0.00 0.00 61.98 62.19 2i8a s VAL 5192Cb 0.00 -3.20 -0.32 0.00 0.00 0.00 0.00 36.38 32.85 2i8a s VAL 5192CO 0.00 0.04 0.94 0.24 0.00 0.00 0.00 175.10 176.32 2i8a h MET 5193N 5.55 0.43 -2.53 2.72 0.00 -1.12 -3.41 114.93 116.57 2i8a h MET 5193Ca -0.45 -0.73 0.12 0.00 0.00 0.00 0.00 59.70 58.65 2i8a h MET 5193Cb 1.21 0.27 -0.09 0.00 0.00 0.00 0.00 31.60 32.99 2i8a h MET 5193CO 0.83 1.33 0.41 0.54 0.00 0.00 0.00 176.91 180.02 2i8a s ASN 5194N -7.37 -0.26 -0.06 1.22 4.22 -1.26 -0.86 114.94 110.57 2i8a s ASN 5194Ca -0.09 -0.34 -0.02 0.00 -2.14 0.00 0.00 52.86 50.27 2i8a s ASN 5194Cb 0.05 0.53 -0.04 0.00 1.28 0.00 0.00 41.25 43.08 2i8a s ASN 5194CO 0.90 -0.96 0.04 -0.31 -2.04 0.00 0.00 177.10 174.74 2i8a s TYR 5195N -3.44 3.24 0.00 1.54 2.02 -1.26 -0.16 117.35 119.29 2i8a s TYR 5195Ca 0.10 0.23 0.00 0.00 -0.37 0.00 0.00 57.07 57.02 2i8a s TYR 5195Cb -0.02 -1.78 0.00 0.00 -0.40 0.00 0.00 41.96 39.76 2i8a s TYR 5195CO -0.00 0.53 0.00 -0.85 -1.57 0.00 0.00 175.55 173.66 2i8a n GLU 5196N 1.76 0.00 0.00 -0.62 -0.00 -0.48 -4.50 120.64 116.80 2i8a n GLU 5196Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.99 2i8a n GLU 5196Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 2i8a n GLU 5196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2i8a n MET 5197N 0.00 0.21 0.00 3.44 2.81 -1.26 -0.29 117.12 122.04 2i8a n MET 5197Ca 0.00 -0.31 0.00 0.00 -1.81 0.00 0.00 57.70 55.58 2i8a n MET 5197Cb 0.00 -0.79 0.00 0.00 -0.71 0.00 0.00 33.22 31.72 2i8a n MET 5197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2i8a n GLU 5198N -0.12 1.30 0.03 0.03 4.71 -1.26 -3.41 120.64 121.93 2i8a n GLU 5198Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.08 2i8a n GLU 5198Cb 0.06 -0.95 0.10 0.00 -1.01 0.00 0.00 31.44 29.64 2i8a n GLU 5198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2i8a h SER 5199N 0.00 0.49 -0.94 1.62 4.64 -1.94 -1.87 113.55 115.55 2i8a h SER 5199Ca 0.00 -0.25 0.02 0.00 -0.47 0.00 0.00 61.79 61.09 2i8a h SER 5199Cb 0.20 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 62.10 2i8a h SER 5199CO 0.00 0.91 0.62 0.00 -0.87 0.00 0.00 176.83 177.49 2i8a h ALA 5200N 1.10 1.35 -0.00 5.18 0.00 -1.87 0.90 119.26 125.93 2i8a h ALA 5200Ca 0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2i8a h ALA 5200Cb 1.01 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2i8a h ALA 5200CO 0.09 0.59 -0.00 1.15 0.00 0.00 0.00 179.25 181.07 2i8a h THR 5201N 1.24 1.51 -0.24 0.00 2.02 -1.86 -2.18 112.91 113.40 2i8a h THR 5201Ca 0.35 -1.51 0.06 0.00 0.77 0.00 0.00 66.41 66.08 2i8a h THR 5201Cb -0.10 2.54 -0.06 0.00 -1.74 0.00 0.00 68.15 68.79 2i8a h THR 5201CO -0.09 0.39 -0.16 0.25 0.37 0.00 0.00 175.52 176.29 2i8a h LEU 5202N -0.64 -0.52 -0.32 2.58 5.85 -1.14 -1.44 115.31 119.69 2i8a h LEU 5202Ca -0.00 0.11 -0.17 0.00 0.84 0.00 0.00 57.88 58.66 2i8a h LEU 5202Cb 0.64 0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 2i8a h LEU 5202CO 0.00 -0.20 -0.45 -0.07 -0.34 0.00 0.00 178.44 177.38 2i8a h LEU 5203N -0.14 0.94 -0.25 2.25 3.38 -0.90 -2.19 115.31 118.40 2i8a h LEU 5203Ca 0.14 -0.51 -0.05 0.00 0.09 0.00 0.00 57.88 57.55 2i8a h LEU 5203Cb 0.35 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2i8a h LEU 5203CO -0.33 1.26 -0.03 0.74 0.09 0.00 0.00 178.44 180.17 2i8a h THR 5204N 0.65 1.27 -0.33 0.22 2.02 -1.31 0.04 112.91 115.47 2i8a h THR 5204Ca 0.03 -1.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.14 2i8a h THR 5204Cb 1.05 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.86 2i8a h THR 5204CO 0.11 0.31 -0.13 0.00 0.37 0.00 0.00 175.52 176.18 2i8a h MET 5205N 0.23 0.56 -0.00 6.66 -0.00 -1.27 -1.90 114.93 119.21 2i8a h MET 5205Ca 0.07 -0.17 -0.10 0.00 -0.00 0.00 0.00 59.70 59.50 2i8a h MET 5205Cb 0.48 -0.06 0.01 0.00 -0.00 0.00 0.00 31.60 32.03 2i8a h MET 5205CO 0.02 0.68 -0.39 0.00 -0.00 0.00 0.00 176.91 177.22 2i8a h ALA 5207N 0.28 1.30 -0.28 0.00 0.00 -0.92 -1.05 119.26 118.60 2i8a h ALA 5207Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2i8a h ALA 5207Cb 1.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2i8a h ALA 5207CO 0.08 0.10 0.00 -1.13 0.00 0.00 0.00 179.25 178.30 2i8a n SER 5208N -3.62 3.28 -0.31 0.00 3.41 -0.72 -4.37 113.62 111.27 2i8a n SER 5208Ca -0.02 -1.97 0.03 0.00 -0.26 0.00 0.00 58.87 56.65 2i8a n SER 5208Cb 0.20 -0.18 0.04 0.00 -0.26 0.00 0.00 64.21 64.02 2i8a n SER 5208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i8a n GLN 5209N 1.40 0.51 -1.75 4.33 6.02 -0.98 -5.01 117.38 121.89 2i8a n GLN 5209Ca 0.17 -1.48 -0.09 0.00 -0.01 0.00 0.00 57.00 55.59 2i8a n GLN 5209Cb 0.59 -0.83 -0.02 0.00 1.02 0.00 0.00 30.24 30.99 2i8a n GLN 5209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2i8a n GLY 5210N -0.47 0.51 3.71 1.08 0.00 -1.10 -5.02 105.19 103.90 2i8a n GLY 5210Ca 0.05 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 2i8a n GLY 5210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i8a s LEU 5211N -2.45 3.54 -0.16 0.99 1.43 -0.43 -5.06 118.68 116.54 2i8a s LEU 5211Ca 0.00 -0.18 -0.13 0.00 -1.03 0.00 0.00 54.13 52.79 2i8a s LEU 5211Cb 0.00 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.94 2i8a s LEU 5211CO 0.00 0.14 0.27 -0.13 0.23 0.00 0.00 176.35 176.86 2i8a s ARG 5212N -2.56 4.19 0.02 1.70 0.52 0.07 -3.95 118.95 118.94 2i8a s ARG 5212Ca 0.27 0.06 0.01 0.00 -0.52 0.00 0.00 55.73 55.55 2i8a s ARG 5212Cb -0.11 -3.40 -0.01 0.00 0.52 0.00 0.00 34.95 31.94 2i8a s ARG 5212CO 0.20 0.29 -0.04 0.00 0.02 0.00 0.00 175.30 175.77 2i8a s ALA 5213N 0.31 0.28 0.14 2.13 0.00 -1.26 -0.16 121.76 123.20 2i8a s ALA 5213Ca 0.16 -0.44 -0.04 0.00 0.00 0.00 0.00 51.96 51.64 2i8a s ALA 5213Cb -0.13 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 2i8a s ALA 5213CO 0.04 -0.03 0.13 0.20 0.00 0.00 0.00 175.76 176.09 2i8a s GLY 5214N -0.92 0.81 -0.11 0.00 0.00 -0.54 -0.25 107.32 106.32 2i8a s GLY 5214Ca -0.07 -1.27 -0.08 0.00 0.00 0.00 0.00 44.72 43.29 2i8a s GLY 5214CO -0.00 -1.18 0.27 -0.29 0.00 0.00 0.00 173.10 171.90 2i8a s MET 5215N -4.02 0.29 0.03 2.90 1.75 -1.26 -0.85 119.30 118.13 2i8a s MET 5215Ca 0.22 0.45 0.04 0.00 -1.25 0.00 0.00 55.69 55.14 2i8a s MET 5215Cb 0.06 0.06 -0.02 0.00 2.84 0.00 0.00 34.83 37.77 2i8a s MET 5215CO 0.01 -0.08 -0.12 0.54 -0.65 0.00 0.00 175.02 174.72 2i8a s VAL 5216N 0.56 0.95 0.00 10.11 0.11 -0.61 -1.76 120.40 129.76 2i8a s VAL 5216Ca -0.03 -0.83 -0.05 0.00 -2.93 0.00 0.00 61.98 58.13 2i8a s VAL 5216Cb -0.05 -0.86 -0.00 0.00 -1.53 0.00 0.00 36.38 33.94 2i8a s VAL 5216CO -0.03 0.03 0.09 0.00 -3.33 0.00 0.00 175.10 171.86 2i8a s ALA 5217N -0.72 -0.21 -0.09 1.54 0.00 0.02 -1.41 121.76 120.89 2i8a s ALA 5217Ca 0.01 -0.19 -0.12 0.00 0.00 0.00 0.00 51.96 51.66 2i8a s ALA 5217Cb -0.07 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 2i8a s ALA 5217CO 0.01 -0.18 0.28 0.20 0.00 0.00 0.00 175.76 176.07 2i8a s GLY 5218N -1.22 2.29 -0.28 0.00 0.00 -0.54 -0.51 107.32 107.06 2i8a s GLY 5218Ca -0.13 -0.43 -0.24 0.00 0.00 0.00 0.00 44.72 43.92 2i8a s GLY 5218CO 0.01 0.06 0.79 0.14 0.00 0.00 0.00 173.10 174.10 2i8a s VAL 5219N -0.58 4.82 -0.02 1.40 1.01 -0.37 -0.33 120.40 126.33 2i8a s VAL 5219Ca 0.18 1.33 0.10 0.00 0.00 0.00 0.00 61.98 63.59 2i8a s VAL 5219Cb -0.14 -4.12 -0.15 0.00 0.00 0.00 0.00 36.38 31.97 2i8a s VAL 5219CO 0.07 -0.16 0.22 2.30 0.00 0.00 0.00 175.10 177.53 2i8a n ILE 5220N 5.41 0.00 -3.98 2.22 -5.35 0.47 -0.38 119.36 117.74 2i8a n ILE 5220Ca 0.04 -0.22 -0.09 0.00 -0.27 0.00 0.00 62.75 62.21 2i8a n ILE 5220Cb 0.48 0.28 -0.08 0.00 -1.74 0.00 0.00 39.64 38.58 2i8a n ILE 5220CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 2i8a s VAL 5221N -2.67 0.12 -0.23 7.28 -7.23 -1.22 -4.87 120.40 111.58 2i8a s VAL 5221Ca -0.03 -1.48 -0.03 0.00 -1.81 0.00 0.00 61.98 58.62 2i8a s VAL 5221Cb 0.06 -1.66 0.10 0.00 0.56 0.00 0.00 36.38 35.44 2i8a s VAL 5221CO 0.41 -0.55 0.23 0.21 -0.31 0.00 0.00 175.10 175.08 2i8a s ASN 5222N -2.94 1.55 0.15 4.85 3.84 -1.26 -2.00 114.94 119.13 2i8a s ASN 5222Ca 0.13 -0.38 -0.17 0.00 0.21 0.00 0.00 52.86 52.65 2i8a s ASN 5222Cb 0.05 0.37 0.06 0.00 -0.55 0.00 0.00 41.25 41.18 2i8a s ASN 5222CO -0.05 -0.34 1.72 0.03 -2.79 0.00 0.00 177.10 175.67 2i8a h ARG 5223N 8.31 0.15 0.00 0.43 3.08 -1.94 -2.54 114.38 121.86 2i8a h ARG 5223Ca -0.17 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.88 2i8a h ARG 5223Cb 1.13 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.15 2i8a h ARG 5223CO 0.30 0.10 0.00 -2.37 -1.07 0.00 0.00 179.97 176.93 2i8a n THR 5224N -5.12 0.00 -0.22 2.04 5.66 -1.26 -1.03 114.28 114.35 2i8a n THR 5224Ca 0.01 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.05 2i8a n THR 5224Cb 0.16 -0.41 0.10 0.00 -1.55 0.00 0.00 70.33 68.62 2i8a n THR 5224CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2i8a n GLN 5225N -0.82 2.83 0.00 1.09 6.02 -0.97 -4.88 117.38 120.66 2i8a n GLN 5225Ca 0.12 -1.91 0.00 0.00 -0.01 0.00 0.00 57.00 55.21 2i8a n GLN 5225Cb 0.06 -1.21 0.00 0.00 1.02 0.00 0.00 30.24 30.11 2i8a n GLN 5225CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2i8a n GLN 5226N -0.11 0.00 0.00 -1.09 3.00 -0.20 -5.02 117.38 113.97 2i8a n GLN 5226Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 2i8a n GLN 5226Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.64 2i8a n GLN 5226CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 2i8a n ASN 5230N -3.21 0.00 -0.06 1.08 5.15 -1.26 -4.97 115.26 111.98 2i8a n ASN 5230Ca 0.00 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 53.91 2i8a n ASN 5230Cb 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.19 2i8a n ASN 5230CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2i8a h ALA 5231N 0.00 0.01 -0.12 5.20 0.00 -2.00 -3.27 119.26 119.08 2i8a h ALA 5231Ca 0.00 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 2i8a h ALA 5231Cb 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2i8a h ALA 5231CO 0.00 0.07 -0.49 1.49 0.00 0.00 0.00 179.25 180.32 2i8a h GLU 5232N -1.00 0.32 -0.15 0.00 4.81 -2.04 -3.06 114.58 113.45 2i8a h GLU 5232Ca -0.02 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 59.04 2i8a h GLU 5232Cb 0.47 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 2i8a h GLU 5232CO -0.01 0.74 0.09 1.79 -0.73 0.00 0.00 179.01 180.89 2i8a h THR 5233N 0.25 1.02 -0.17 0.32 1.35 -1.99 -1.51 112.91 112.18 2i8a h THR 5233Ca 0.01 -0.06 0.03 0.00 -0.55 0.00 0.00 66.41 65.84 2i8a h THR 5233Cb 0.96 0.82 -0.03 0.00 -1.73 0.00 0.00 68.15 68.17 2i8a h THR 5233CO 0.08 0.03 -0.00 -0.03 -0.25 0.00 0.00 175.52 175.35 2i8a h MET 5234N 0.18 0.05 -0.88 4.72 1.85 -1.59 0.33 114.93 119.60 2i8a h MET 5234Ca 0.06 -0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.15 2i8a h MET 5234Cb -0.00 -0.01 -0.04 0.00 0.43 0.00 0.00 31.60 31.97 2i8a h MET 5234CO -0.03 0.03 0.55 0.87 -0.40 0.00 0.00 176.91 177.93 2i8a h LYS 5235N 0.05 1.18 -0.30 0.39 1.79 -1.46 0.77 116.57 118.99 2i8a h LYS 5235Ca 0.08 -0.09 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 2i8a h LYS 5235Cb 0.10 -0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 30.48 2i8a h LYS 5235CO -0.13 0.81 0.04 0.37 -1.08 0.00 0.00 179.45 179.45 2i8a h GLN 5236N 1.20 0.50 -0.42 3.15 5.75 -0.81 -2.37 115.11 122.11 2i8a h GLN 5236Ca 0.32 -0.14 -0.12 0.00 -0.15 0.00 0.00 58.65 58.56 2i8a h GLN 5236Cb -0.08 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 2i8a h GLN 5236CO -0.06 0.61 -0.20 1.15 -2.65 0.00 0.00 178.83 177.68 2i8a h THR 5237N 0.31 1.28 -0.10 2.39 2.02 0.27 -2.80 112.91 116.29 2i8a h THR 5237Ca 0.09 -1.35 0.02 0.00 0.77 0.00 0.00 66.41 65.94 2i8a h THR 5237Cb 0.36 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 2i8a h THR 5237CO 0.01 0.46 -0.24 -0.33 0.37 0.00 0.00 175.52 175.79 2i8a h GLU 5238N 0.71 -0.22 -1.15 6.66 4.39 0.52 -2.29 114.58 123.21 2i8a h GLU 5238Ca 0.10 0.01 0.33 0.00 0.34 0.00 0.00 59.36 60.14 2i8a h GLU 5238Cb 0.76 0.05 -0.11 0.00 -0.10 0.00 0.00 28.75 29.36 2i8a h GLU 5238CO 0.06 -0.14 0.74 1.03 -1.16 0.00 0.00 179.01 179.54 2i8a h SER 5239N -0.22 0.35 0.10 1.42 0.87 -1.39 -0.74 113.55 113.94 2i8a h SER 5239Ca 0.02 0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2i8a h SER 5239Cb 0.28 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2i8a h SER 5239CO -0.21 -0.02 -0.05 -0.74 -0.53 0.00 0.00 176.83 175.28 2i8a h HIS 5240N 0.26 -0.12 -0.11 2.24 -0.00 -1.21 -1.53 115.15 114.68 2i8a h HIS 5240Ca 0.68 -0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.96 2i8a h HIS 5240Cb 1.93 0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 29.37 2i8a h HIS 5240CO -0.00 0.38 -0.31 0.00 -0.00 0.00 0.00 177.93 178.00 2i8a h ALA 5241N 0.03 1.29 -0.27 5.26 0.00 -0.94 -2.21 119.26 122.42 2i8a h ALA 5241Ca -0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2i8a h ALA 5241Cb 0.56 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2i8a h ALA 5241CO 0.02 0.49 0.10 0.28 0.00 0.00 0.00 179.25 180.14 2i8a h VAL 5242N 0.18 1.18 -0.78 0.00 2.07 -1.18 -0.93 116.25 116.80 2i8a h VAL 5242Ca 0.02 -0.57 0.09 0.00 0.82 0.00 0.00 66.70 67.07 2i8a h VAL 5242Cb 0.64 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 31.39 2i8a h VAL 5242CO 0.05 0.19 0.42 0.50 0.02 0.00 0.00 177.57 178.75 2i8a h LYS 5243N 0.29 0.69 -0.25 1.57 3.64 -1.05 -2.29 116.57 119.17 2i8a h LYS 5243Ca 0.09 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 2i8a h LYS 5243Cb 0.20 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2i8a h LYS 5243CO -0.01 0.46 -0.01 0.82 -2.27 0.00 0.00 179.45 178.44 2i8a h ILE 5244N 0.71 1.26 -0.29 2.00 2.04 -1.10 -2.01 117.51 120.12 2i8a h ILE 5244Ca 0.38 -0.93 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 2i8a h ILE 5244Cb 0.37 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 2i8a h ILE 5244CO -0.26 0.29 -0.05 1.62 0.00 0.00 0.00 178.15 179.76 2i8a h VAL 5245N 0.21 1.20 -0.14 1.67 3.04 -0.81 0.11 116.25 121.53 2i8a h VAL 5245Ca 0.07 -0.81 -0.23 0.00 -1.01 0.00 0.00 66.70 64.72 2i8a h VAL 5245Cb 0.43 1.03 0.01 0.00 -2.01 0.00 0.00 31.29 30.75 2i8a h VAL 5245CO 0.01 0.27 -0.81 0.58 -1.01 0.00 0.00 177.57 176.62 2i8a h VAL 5246N 0.43 1.28 -0.58 1.51 2.07 -1.39 -0.36 116.25 119.21 2i8a h VAL 5246Ca 0.09 -2.00 -0.10 0.00 0.82 0.00 0.00 66.70 65.51 2i8a h VAL 5246Cb 0.36 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 2i8a h VAL 5246CO 0.02 0.63 -0.04 -0.08 0.02 0.00 0.00 177.57 178.12 2i8a h GLU 5247N 0.53 1.05 -0.46 1.57 4.57 -1.05 -1.81 114.58 118.97 2i8a h GLU 5247Ca -0.06 -0.35 -0.00 0.00 -1.18 0.00 0.00 59.36 57.77 2i8a h GLU 5247Cb 1.44 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.92 2i8a h GLU 5247CO 0.17 1.04 0.28 0.00 -1.18 0.00 0.00 179.01 179.32 2i8a h ALA 5248N 1.00 0.59 -0.92 2.92 0.00 -0.73 -2.71 119.26 119.41 2i8a h ALA 5248Ca 0.16 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.10 2i8a h ALA 5248Cb 0.59 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 2i8a h ALA 5248CO 0.04 0.07 0.60 0.00 0.00 0.00 0.00 179.25 179.96 2i8a h ALA 5249N 1.13 1.55 -0.99 0.00 0.00 -0.66 -0.99 119.26 119.31 2i8a h ALA 5249Ca 0.17 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.17 2i8a h ALA 5249Cb -0.01 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 17.46 2i8a h ALA 5249CO -0.03 0.28 0.63 0.00 0.00 0.00 0.00 179.25 180.13 2i8a h ARG 5250N 0.98 1.00 0.00 0.00 3.08 -1.01 -1.72 114.38 116.71 2i8a h ARG 5250Ca 0.42 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.41 2i8a h ARG 5250Cb 0.32 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2i8a h ARG 5250CO -0.18 0.66 0.00 0.00 -1.07 0.00 0.00 179.97 179.38 2i8a h ARG 5251N 1.03 0.00 -0.02 0.04 3.08 -1.13 -3.28 114.38 114.10 2i8a h ARG 5251Ca 0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.52 2i8a h ARG 5251Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2i8a h ARG 5251CO -0.23 0.00 -0.31 1.28 -1.07 0.00 0.00 179.97 179.64 2i8a n LEU 5252N -2.71 2.34 -0.09 3.04 4.77 -0.66 -5.08 117.00 118.60 2i8a n LEU 5252Ca 0.04 -0.84 0.16 0.00 -0.03 0.00 0.00 56.01 55.33 2i8a n LEU 5252Cb 0.43 0.00 0.87 0.00 -2.33 0.00 0.00 43.42 42.39 2i8a n LEU 5252CO 0.30 0.42 1.07 0.18 -1.33 0.00 0.00 177.39 178.02