#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r3h s SER 5002N 0.00 4.95 0.00 1.61 0.15 -1.26 -4.97 113.70 114.18 1r3h s SER 5002Ca 0.00 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.32 1r3h s SER 5002Cb 0.00 -1.12 0.00 0.00 -1.71 0.00 0.00 66.02 63.19 1r3h s SER 5002CO 0.00 0.09 0.00 1.41 1.20 0.00 0.00 173.24 175.94 1r3h n HIS 5003N -0.16 0.00 0.00 3.44 -0.00 -1.26 -5.07 115.22 112.17 1r3h n HIS 5003Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.63 1r3h n HIS 5003Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.54 1r3h n HIS 5003CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1r3h n SER 5004N 0.00 0.00 -2.83 0.41 3.41 -1.26 -4.44 113.62 108.91 1r3h n SER 5004Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 1r3h n SER 5004Cb 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 1r3h n SER 5004CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1r3h n LEU 5005N 0.00 -2.17 -4.82 1.04 7.94 -1.14 -3.02 117.00 114.83 1r3h n LEU 5005Ca 0.00 -3.67 -0.37 0.00 -1.11 0.00 0.00 56.01 50.86 1r3h n LEU 5005Cb 0.00 0.82 -0.06 0.00 0.53 0.00 0.00 43.42 44.71 1r3h n LEU 5005CO 0.00 2.04 0.33 -0.13 -1.11 0.00 0.00 177.39 178.52 1r3h s ARG 5006N 0.19 4.18 -0.07 1.96 1.81 -1.01 -3.66 118.95 122.35 1r3h s ARG 5006Ca 0.31 0.74 0.01 0.00 -1.72 0.00 0.00 55.73 55.07 1r3h s ARG 5006Cb 0.24 -3.03 -0.03 0.00 -0.45 0.00 0.00 34.95 31.68 1r3h s ARG 5006CO -0.18 0.50 -0.08 0.71 -0.68 0.00 0.00 175.30 175.57 1r3h s TYR 5007N -1.36 2.89 0.10 -0.53 1.51 -0.98 -1.66 117.35 117.33 1r3h s TYR 5007Ca 0.37 -0.06 0.06 0.00 -1.01 0.00 0.00 57.07 56.43 1r3h s TYR 5007Cb -0.18 -1.72 -0.04 0.00 -0.11 0.00 0.00 41.96 39.92 1r3h s TYR 5007CO 0.20 0.25 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.78 1r3h s PHE 5008N -0.66 2.84 -0.13 2.71 0.40 0.27 -2.59 117.98 120.83 1r3h s PHE 5008Ca 0.10 -0.11 -0.04 0.00 -0.60 0.00 0.00 56.93 56.28 1r3h s PHE 5008Cb -0.11 -1.47 0.06 0.00 0.51 0.00 0.00 43.02 42.01 1r3h s PHE 5008CO 0.02 0.45 0.23 -0.47 0.70 0.00 0.00 175.22 176.15 1r3h s TYR 5009N -1.25 -0.34 -0.12 0.36 5.04 -0.55 -0.99 117.35 119.50 1r3h s TYR 5009Ca 0.23 0.77 0.02 0.00 -2.44 0.00 0.00 57.07 55.66 1r3h s TYR 5009Cb -0.11 -0.14 0.01 0.00 0.35 0.00 0.00 41.96 42.07 1r3h s TYR 5009CO 0.16 -0.37 -0.18 0.99 -1.34 0.00 0.00 175.55 174.80 1r3h s THR 5010N 2.38 1.72 -0.05 4.34 2.01 -0.06 -1.56 115.64 124.41 1r3h s THR 5010Ca 0.03 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.27 1r3h s THR 5010Cb -0.13 -1.55 0.01 0.00 0.01 0.00 0.00 72.50 70.85 1r3h s THR 5010CO -0.08 0.48 -0.10 0.00 -0.69 0.00 0.00 174.62 174.23 1r3h s ALA 5011N 0.92 1.07 0.14 7.40 0.00 -1.08 -0.49 121.76 129.73 1r3h s ALA 5011Ca -0.07 -0.32 0.05 0.00 0.00 0.00 0.00 51.96 51.63 1r3h s ALA 5011Cb -0.15 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 1r3h s ALA 5011CO -0.02 0.09 -0.12 0.08 0.00 0.00 0.00 175.76 175.80 1r3h s VAL 5012N 0.64 1.26 0.25 0.00 1.01 -0.84 -2.43 120.40 120.30 1r3h s VAL 5012Ca -0.12 -1.88 0.11 0.00 0.00 0.00 0.00 61.98 60.08 1r3h s VAL 5012Cb -0.15 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 1r3h s VAL 5012CO 0.02 -0.58 -0.19 -0.94 0.00 0.00 0.00 175.10 173.42 1r3h s SER 5013N -2.81 3.29 -0.06 3.32 1.04 -1.11 -1.24 113.70 116.12 1r3h s SER 5013Ca 0.13 -1.02 0.06 0.00 0.48 0.00 0.00 55.95 55.59 1r3h s SER 5013Cb -0.01 -0.25 -0.01 0.00 0.10 0.00 0.00 66.02 65.85 1r3h s SER 5013CO 0.02 -0.02 -0.24 0.00 0.98 0.00 0.00 173.24 173.98 1r3h s ARG 5014N -3.50 2.58 -0.69 4.02 1.70 -1.26 -4.37 118.95 117.43 1r3h s ARG 5014Ca 0.27 -0.88 -0.13 0.00 -0.47 0.00 0.00 55.73 54.52 1r3h s ARG 5014Cb -0.04 -2.14 -0.18 0.00 -0.57 0.00 0.00 34.95 32.02 1r3h s ARG 5014CO 0.12 0.33 1.88 -2.30 -1.08 0.00 0.00 175.30 174.25 1r3h n PRO 5015N 3.07 0.13 -3.59 3.89 -0.02 -1.24 -3.05 135.00 134.20 1r3h n PRO 5015Ca -0.18 -0.50 -0.24 0.00 -2.02 0.00 0.00 63.50 60.57 1r3h n PRO 5015Cb 0.52 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.85 1r3h n PRO 5015CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r3h n GLY 5016N 5.61 -0.45 1.14 -1.23 0.00 -1.26 -4.79 105.19 104.20 1r3h n GLY 5016Ca 0.39 0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.56 1r3h n GLY 5016CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1r3h n LEU 5017N -3.42 3.61 0.00 0.99 4.77 -1.17 -5.07 117.00 116.71 1r3h n LEU 5017Ca 0.05 -1.93 0.00 0.00 -0.03 0.00 0.00 56.01 54.10 1r3h n LEU 5017Cb 0.48 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1r3h n LEU 5017CO 0.53 0.89 0.00 0.61 -1.33 0.00 0.00 177.39 178.09 1r3h n GLY 5018N 1.33 0.84 3.85 -0.72 0.00 -1.26 -5.04 105.19 104.18 1r3h n GLY 5018Ca 0.20 -2.00 -0.32 0.00 0.00 0.00 0.00 46.02 43.90 1r3h n GLY 5018CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1r3h s GLU 5019N -1.46 4.00 1.00 1.61 4.04 -1.26 -4.56 118.70 122.06 1r3h s GLU 5019Ca 0.00 0.70 -0.12 0.00 0.04 0.00 0.00 54.97 55.59 1r3h s GLU 5019Cb 0.00 -2.39 0.19 0.00 0.02 0.00 0.00 34.13 31.95 1r3h s GLU 5019CO 0.00 0.11 1.09 -1.25 -1.84 0.00 0.00 175.26 173.36 1r3h s PRO 5020N -3.12 0.43 0.41 -4.83 0.04 -1.26 -4.79 135.00 121.88 1r3h s PRO 5020Ca 0.55 0.60 0.04 0.00 0.04 0.00 0.00 61.00 62.22 1r3h s PRO 5020Cb -0.10 -1.73 -0.03 0.00 0.04 0.00 0.00 34.50 32.68 1r3h s PRO 5020CO 0.19 -2.75 0.11 1.67 0.04 0.00 0.00 177.00 176.26 1r3h s TRP 5021N -2.92 1.81 0.11 0.56 -2.14 -0.37 -4.97 118.94 111.02 1r3h s TRP 5021Ca 0.65 -1.23 -0.07 0.00 2.66 0.00 0.00 56.10 58.11 1r3h s TRP 5021Cb -0.19 -1.21 -0.01 0.00 -3.10 0.00 0.00 33.47 28.96 1r3h s TRP 5021CO 0.58 -0.23 0.17 -0.59 -2.66 0.00 0.00 176.95 174.23 1r3h s PHE 5022N -3.18 0.33 -0.19 1.66 -0.12 -1.26 -1.98 117.98 113.24 1r3h s PHE 5022Ca 0.23 -0.75 -0.07 0.00 -0.05 0.00 0.00 56.93 56.29 1r3h s PHE 5022Cb 0.03 -0.14 0.08 0.00 -0.63 0.00 0.00 43.02 42.36 1r3h s PHE 5022CO 0.14 -0.57 0.40 -1.50 -0.05 0.00 0.00 175.22 173.64 1r3h s ILE 5023N -3.91 -0.53 0.05 -4.49 1.10 0.36 -1.79 121.20 111.99 1r3h s ILE 5023Ca 0.10 0.17 0.07 0.00 -0.51 0.00 0.00 60.65 60.48 1r3h s ILE 5023Cb 0.05 -0.64 -0.03 0.00 0.15 0.00 0.00 42.46 41.99 1r3h s ILE 5023CO -0.07 0.07 -0.16 -0.63 -2.11 0.00 0.00 174.94 172.04 1r3h s ILE 5024N 2.40 2.96 -0.04 2.00 1.01 0.21 -0.88 121.20 128.85 1r3h s ILE 5024Ca -0.03 -1.18 0.04 0.00 0.00 0.00 0.00 60.65 59.48 1r3h s ILE 5024Cb -0.11 -2.28 -0.00 0.00 0.01 0.00 0.00 42.46 40.07 1r3h s ILE 5024CO -0.12 0.29 -0.16 -0.69 0.00 0.00 0.00 174.94 174.26 1r3h s VAL 5025N -0.99 1.31 -0.15 2.92 1.01 -0.16 -1.17 120.40 123.17 1r3h s VAL 5025Ca 0.16 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 1r3h s VAL 5025Cb -0.11 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1r3h s VAL 5025CO 0.07 0.38 0.02 -0.83 0.00 0.00 0.00 175.10 174.74 1r3h s GLY 5026N 0.09 1.84 -0.14 4.51 0.00 0.11 0.97 107.32 114.69 1r3h s GLY 5026Ca -0.04 -0.78 -0.02 0.00 0.00 0.00 0.00 44.72 43.88 1r3h s GLY 5026CO 0.02 -0.12 0.03 -0.19 0.00 0.00 0.00 173.10 172.83 1r3h s TYR 5027N 0.09 0.78 -0.51 1.90 1.51 -0.66 -0.87 117.35 119.58 1r3h s TYR 5027Ca 0.03 -0.49 -0.18 0.00 -1.01 0.00 0.00 57.07 55.42 1r3h s TYR 5027Cb -0.13 -0.89 0.07 0.00 -0.11 0.00 0.00 41.96 40.91 1r3h s TYR 5027CO 0.02 -0.47 0.55 0.08 -1.11 0.00 0.00 175.55 174.62 1r3h s VAL 5028N 1.94 5.01 0.00 0.71 1.01 0.26 -2.42 120.40 126.92 1r3h s VAL 5028Ca 0.02 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1r3h s VAL 5028Cb -0.15 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.96 1r3h s VAL 5028CO -0.07 -0.78 0.00 0.47 0.00 0.00 0.00 175.10 174.72 1r3h n ASP 5029N 5.80 0.00 -0.42 3.32 8.00 -1.17 -2.49 116.55 129.60 1r3h n ASP 5029Ca -0.09 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.49 1r3h n ASP 5029Cb 0.44 0.00 0.19 0.00 -0.02 0.00 0.00 41.12 41.73 1r3h n ASP 5029CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1r3h n ASP 5030N 10.78 2.82 -4.45 -2.24 8.00 -1.26 -4.95 116.55 125.25 1r3h n ASP 5030Ca 0.00 -3.14 -0.31 0.00 0.71 0.00 0.00 54.79 52.05 1r3h n ASP 5030Cb 0.00 -0.48 -0.13 0.00 -0.02 0.00 0.00 41.12 40.49 1r3h n ASP 5030CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1r3h s MET 5031N -2.90 2.12 -0.43 -1.24 -1.94 -1.04 -4.96 119.30 108.91 1r3h s MET 5031Ca 0.36 -0.95 -0.21 0.00 -1.71 0.00 0.00 55.69 53.19 1r3h s MET 5031Cb 0.31 -2.20 0.02 0.00 2.01 0.00 0.00 34.83 34.98 1r3h s MET 5031CO 0.04 0.55 0.65 -1.14 -0.01 0.00 0.00 175.02 175.11 1r3h s GLN 5032N -1.31 3.33 -0.02 2.03 0.74 -1.26 -0.57 119.66 122.60 1r3h s GLN 5032Ca 0.14 -0.31 0.21 0.00 0.05 0.00 0.00 55.36 55.45 1r3h s GLN 5032Cb -0.10 -3.93 -0.28 0.00 1.10 0.00 0.00 33.01 29.79 1r3h s GLN 5032CO 0.04 -0.99 0.67 1.33 -0.55 0.00 0.00 175.29 175.80 1r3h n VAL 5033N 5.84 0.00 -3.60 1.34 0.24 -0.05 -4.75 118.33 117.35 1r3h n VAL 5033Ca -0.01 -0.26 -0.12 0.00 -2.04 0.00 0.00 64.34 61.91 1r3h n VAL 5033Cb 0.48 0.49 -0.05 0.00 -1.47 0.00 0.00 33.84 33.29 1r3h n VAL 5033CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1r3h s LEU 5034N -3.76 0.15 -0.28 1.34 0.20 -1.07 -2.11 118.68 113.14 1r3h s LEU 5034Ca -0.00 -0.04 -0.16 0.00 0.69 0.00 0.00 54.13 54.61 1r3h s LEU 5034Cb 0.15 1.99 0.09 0.00 -0.43 0.00 0.00 46.19 47.99 1r3h s LEU 5034CO 0.88 -0.77 0.76 -0.60 -0.29 0.00 0.00 176.35 176.32 1r3h s ARG 5035N -3.01 0.64 -0.04 1.98 3.00 -1.03 0.04 118.95 120.53 1r3h s ARG 5035Ca -0.02 1.09 0.01 0.00 -1.00 0.00 0.00 55.73 55.81 1r3h s ARG 5035Cb 0.00 0.13 0.02 0.00 0.00 0.00 0.00 34.95 35.11 1r3h s ARG 5035CO -0.06 -0.13 -0.04 0.12 0.00 0.00 0.00 175.30 175.19 1r3h s PHE 5036N 1.52 0.66 0.35 5.12 5.36 -0.32 -1.43 117.98 129.24 1r3h s PHE 5036Ca -0.09 -0.16 0.08 0.00 -0.96 0.00 0.00 56.93 55.79 1r3h s PHE 5036Cb -0.05 -0.60 -0.07 0.00 -0.34 0.00 0.00 43.02 41.97 1r3h s PHE 5036CO -0.18 -0.17 -0.05 -1.54 -1.46 0.00 0.00 175.22 171.82 1r3h s SER 5037N 0.86 3.50 0.86 6.13 1.04 -1.26 0.65 113.70 125.48 1r3h s SER 5037Ca -0.11 -1.26 -0.12 0.00 0.48 0.00 0.00 55.95 54.95 1r3h s SER 5037Cb -0.14 -0.31 0.11 0.00 0.10 0.00 0.00 66.02 65.78 1r3h s SER 5037CO -0.00 -0.32 1.10 -0.55 0.98 0.00 0.00 173.24 174.45 1r3h s SER 5038N -3.60 3.87 0.00 7.02 0.15 -0.74 -3.56 113.70 116.84 1r3h s SER 5038Ca 0.33 1.27 0.00 0.00 0.70 0.00 0.00 55.95 58.25 1r3h s SER 5038Cb 0.05 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.41 1r3h s SER 5038CO 0.16 -2.36 0.00 1.17 1.20 0.00 0.00 173.24 173.41 1r3h n LYS 5039N -3.68 0.00 -2.57 5.44 0.00 -1.26 -4.93 118.16 111.16 1r3h n LYS 5039Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 57.95 1r3h n LYS 5039Cb 0.57 -0.02 -0.03 0.00 0.00 0.00 0.00 35.03 35.55 1r3h n LYS 5039CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1r3h s GLU 5040N 0.00 4.40 -0.58 1.64 2.12 -1.23 -4.95 118.70 120.10 1r3h s GLU 5040Ca 0.00 1.54 0.00 0.00 0.36 0.00 0.00 54.97 56.87 1r3h s GLU 5040Cb 0.00 -3.53 0.46 0.00 0.26 0.00 0.00 34.13 31.32 1r3h s GLU 5040CO 0.00 -0.35 1.85 -0.85 -0.54 0.00 0.00 175.26 175.38 1r3h n GLU 5041N 4.93 2.85 -3.15 4.30 0.00 -1.26 -4.69 120.64 123.62 1r3h n GLU 5041Ca 0.09 -3.46 0.05 0.00 0.00 0.00 0.00 57.16 53.85 1r3h n GLU 5041Cb 0.48 -2.28 -0.02 0.00 0.00 0.00 0.00 31.44 29.62 1r3h n GLU 5041CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1r3h s THR 5042N -4.71 -0.35 0.32 3.84 -4.23 -1.26 -5.15 115.64 104.10 1r3h s THR 5042Ca 0.62 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.83 1r3h s THR 5042Cb 0.49 -0.99 -0.12 0.00 1.34 0.00 0.00 72.50 73.22 1r3h s THR 5042CO 0.00 0.00 1.45 -2.65 -0.54 0.00 0.00 174.62 172.89 1r3h n PRO 5043N 5.47 2.42 -2.73 3.99 -0.02 -1.26 -4.96 135.00 137.91 1r3h n PRO 5043Ca -0.07 0.86 -0.42 0.00 -2.02 0.00 0.00 63.50 61.85 1r3h n PRO 5043Cb 0.54 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 1r3h n PRO 5043CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1r3h s ARG 5044N -1.25 4.37 -0.14 -0.52 0.52 -0.52 -4.97 118.95 116.45 1r3h s ARG 5044Ca 0.60 1.30 -0.06 0.00 -0.52 0.00 0.00 55.73 57.05 1r3h s ARG 5044Cb -0.54 -3.56 -0.04 0.00 0.52 0.00 0.00 34.95 31.33 1r3h s ARG 5044CO 0.56 -0.36 0.07 1.41 0.02 0.00 0.00 175.30 177.00 1r3h s MET 5045N 2.19 3.59 0.26 3.54 1.75 -1.26 -2.47 119.30 126.90 1r3h s MET 5045Ca 0.45 -0.30 -0.27 0.00 -1.25 0.00 0.00 55.69 54.32 1r3h s MET 5045Cb -0.17 -3.10 -0.15 0.00 2.84 0.00 0.00 34.83 34.24 1r3h s MET 5045CO 0.15 0.52 0.75 0.00 -0.65 0.00 0.00 175.02 175.78 1r3h n ALA 5049N 2.77 -1.50 -0.04 4.11 0.00 -0.90 -4.95 120.51 120.00 1r3h n ALA 5049Ca -0.18 0.39 -0.13 0.00 0.00 0.00 0.00 53.44 53.52 1r3h n ALA 5049Cb 0.53 -1.82 -0.08 0.00 0.00 0.00 0.00 19.45 18.09 1r3h n ALA 5049CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1r3h h PRO 5050N 1.44 0.25 -0.06 0.00 0.13 -1.95 -3.33 132.00 128.48 1r3h h PRO 5050Ca -0.35 -0.12 0.02 0.00 -0.87 0.00 0.00 66.00 64.68 1r3h h PRO 5050Cb 1.39 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.52 1r3h h PRO 5050CO 0.58 0.63 0.05 0.11 -0.23 0.00 0.00 178.00 179.14 1r3h h TRP 5051N -0.12 0.00 0.00 1.56 5.08 -1.96 -3.43 115.95 117.08 1r3h h TRP 5051Ca 0.02 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.99 1r3h h TRP 5051Cb 0.57 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.73 1r3h h TRP 5051CO 0.08 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 178.52 1r3h n LEU 5052N -4.21 0.00 -4.44 0.11 4.77 -1.25 -4.86 117.00 107.12 1r3h n LEU 5052Ca -0.02 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.67 1r3h n LEU 5052Cb 0.15 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.12 1r3h n LEU 5052CO 0.31 0.00 -0.52 -1.61 -1.33 0.00 0.00 177.39 174.24 1r3h s GLU 5053N 0.00 1.71 0.58 3.23 0.41 -1.14 -4.90 118.70 118.58 1r3h s GLU 5053Ca 0.00 -1.19 0.08 0.00 -0.41 0.00 0.00 54.97 53.45 1r3h s GLU 5053Cb 0.00 -2.05 0.08 0.00 -1.78 0.00 0.00 34.13 30.38 1r3h s GLU 5053CO 0.00 0.48 0.68 -0.65 -0.49 0.00 0.00 175.26 175.28 1r3h s GLN 5054N -1.92 2.25 -0.45 1.61 -1.52 -1.26 -4.95 119.66 113.41 1r3h s GLN 5054Ca 0.16 -1.81 -0.27 0.00 -1.95 0.00 0.00 55.36 51.48 1r3h s GLN 5054Cb -0.10 -2.44 -0.27 0.00 -0.22 0.00 0.00 33.01 29.98 1r3h s GLN 5054CO 0.07 -0.83 1.78 -1.91 -0.25 0.00 0.00 175.29 174.15 1r3h n GLU 5055N -2.12 0.69 0.00 2.91 4.07 -1.26 -4.63 120.64 120.30 1r3h n GLU 5055Ca 0.10 -1.47 0.00 0.00 -0.06 0.00 0.00 57.16 55.73 1r3h n GLU 5055Cb 0.63 -2.84 0.00 0.00 -0.06 0.00 0.00 31.44 29.16 1r3h n GLU 5055CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1r3h n GLU 5056N 7.64 0.00 -0.12 5.31 1.02 -1.26 -4.71 120.64 128.53 1r3h n GLU 5056Ca 0.47 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.73 1r3h n GLU 5056Cb 0.42 -0.02 0.17 0.00 -0.02 0.00 0.00 31.44 32.00 1r3h n GLU 5056CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1r3h n ALA 5057N -3.00 2.44 -1.40 0.62 0.00 -1.26 -4.97 120.51 112.93 1r3h n ALA 5057Ca 0.00 -0.87 -0.31 0.00 0.00 0.00 0.00 53.44 52.26 1r3h n ALA 5057Cb 0.00 -0.85 0.08 0.00 0.00 0.00 0.00 19.45 18.68 1r3h n ALA 5057CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1r3h s ASP 5058N -1.69 4.75 -0.28 0.00 2.15 -1.26 -5.06 116.67 115.27 1r3h s ASP 5058Ca 0.35 1.66 0.03 0.00 0.43 0.00 0.00 52.55 55.02 1r3h s ASP 5058Cb 0.22 -2.43 0.07 0.00 -0.30 0.00 0.00 42.92 40.48 1r3h s ASP 5058CO 0.31 -1.86 -0.05 -0.62 -0.17 0.00 0.00 175.17 172.78 1r3h s ASP 5059N -3.60 4.45 0.00 -0.34 2.15 -1.26 -4.88 116.67 113.19 1r3h s ASP 5059Ca 0.60 -1.58 0.13 0.00 0.43 0.00 0.00 52.55 52.13 1r3h s ASP 5059Cb -0.16 -1.50 0.18 0.00 -0.30 0.00 0.00 42.92 41.14 1r3h s ASP 5059CO 0.56 -0.25 1.03 0.79 -0.17 0.00 0.00 175.17 177.12 1r3h n TRP 5060N 4.42 0.17 1.53 -5.34 5.03 -1.26 -4.48 117.44 117.52 1r3h n TRP 5060Ca -0.09 -0.16 0.13 0.00 3.03 0.00 0.00 57.50 60.41 1r3h n TRP 5060Cb 0.42 -0.01 0.74 0.00 -1.03 0.00 0.00 31.31 31.44 1r3h n TRP 5060CO 0.00 0.00 0.00 -0.85 -0.03 0.00 0.00 177.69 176.81 1r3h n GLU 5061N 0.71 0.71 0.03 -0.99 0.28 -1.26 -2.09 120.64 118.02 1r3h n GLU 5061Ca 0.09 0.01 -0.05 0.00 -0.16 0.00 0.00 57.16 57.06 1r3h n GLU 5061Cb 0.36 -1.50 0.16 0.00 1.43 0.00 0.00 31.44 31.89 1r3h n GLU 5061CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 1r3h h GLN 5062N 0.00 0.44 0.00 3.44 1.08 -2.00 -2.90 115.11 115.17 1r3h h GLN 5062Ca 0.00 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 1r3h h GLN 5062Cb 0.06 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 1r3h h GLN 5062CO 0.00 0.76 -0.28 1.96 -0.95 0.00 0.00 178.83 180.32 1r3h h GLN 5063N 0.37 0.00 -0.23 1.46 4.20 -1.77 -3.31 115.11 115.83 1r3h h GLN 5063Ca 0.04 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.81 1r3h h GLN 5063Cb 0.85 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 1r3h h GLN 5063CO 0.07 0.00 0.26 0.00 -0.67 0.00 0.00 178.83 178.49 1r3h h THR 5064N -0.79 0.45 0.03 -0.54 1.03 -1.67 -0.74 112.91 110.67 1r3h h THR 5064Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 66.41 66.13 1r3h h THR 5064Cb 0.28 0.79 0.02 0.00 -1.07 0.00 0.00 68.15 68.17 1r3h h THR 5064CO 0.00 0.00 -1.07 -0.74 -0.01 0.00 0.00 175.52 173.70 1r3h h HIS 5065N 0.00 1.03 0.00 0.00 2.76 -1.70 -2.95 115.15 114.29 1r3h h HIS 5065Ca 0.11 -0.58 0.00 0.00 -2.20 0.00 0.00 60.37 57.70 1r3h h HIS 5065Cb 0.63 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.48 1r3h h HIS 5065CO 0.00 1.41 -0.33 0.82 -1.30 0.00 0.00 177.93 178.53 1r3h h ILE 5066N 0.35 0.00 0.06 6.26 2.04 -1.27 -3.26 117.51 121.69 1r3h h ILE 5066Ca -0.14 -0.69 -0.35 0.00 1.00 0.00 0.00 64.86 64.68 1r3h h ILE 5066Cb 1.73 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 39.26 1r3h h ILE 5066CO 0.21 0.00 -2.03 0.52 0.00 0.00 0.00 178.15 176.85 1r3h n VAL 5067N -2.48 1.65 -0.24 1.67 0.31 -0.51 -1.76 118.33 116.96 1r3h n VAL 5067Ca 0.04 -0.71 -0.03 0.00 -0.01 0.00 0.00 64.34 63.63 1r3h n VAL 5067Cb 0.48 -1.35 0.08 0.00 -0.91 0.00 0.00 33.84 32.13 1r3h n VAL 5067CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1r3h h THR 5068N 0.03 1.08 0.65 2.52 1.35 -1.62 1.60 112.91 118.51 1r3h h THR 5068Ca -0.42 -0.28 -0.03 0.00 -0.55 0.00 0.00 66.41 65.12 1r3h h THR 5068Cb 2.03 0.18 0.01 0.00 -1.73 0.00 0.00 68.15 68.64 1r3h h THR 5068CO 0.05 0.15 -0.31 0.40 -0.25 0.00 0.00 175.52 175.56 1r3h h ILE 5069N 0.83 0.21 -0.38 6.82 1.08 -1.71 -2.23 117.51 122.12 1r3h h ILE 5069Ca 0.28 -0.28 0.08 0.00 -0.39 0.00 0.00 64.86 64.55 1r3h h ILE 5069Cb 0.04 0.27 -0.09 0.00 -3.07 0.00 0.00 36.82 33.97 1r3h h ILE 5069CO -0.12 0.02 -0.24 1.56 -0.69 0.00 0.00 178.15 178.69 1r3h h GLN 5070N -1.10 -0.17 -0.35 2.37 4.20 -0.95 0.35 115.11 119.46 1r3h h GLN 5070Ca -0.09 0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.73 1r3h h GLN 5070Cb 0.71 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 1r3h h GLN 5070CO 0.15 -0.12 0.27 0.78 -0.67 0.00 0.00 178.83 179.24 1r3h h GLY 5071N -0.18 0.00 -0.58 3.46 0.00 0.23 -0.90 103.07 105.10 1r3h h GLY 5071Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1r3h h GLY 5071CO -0.49 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 174.99 1r3h n GLN 5072N -4.31 0.76 -0.01 4.80 3.00 0.12 -3.04 117.38 118.70 1r3h n GLN 5072Ca 0.05 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.14 1r3h n GLN 5072Cb 0.44 -1.22 -0.15 0.00 0.00 0.00 0.00 30.24 29.32 1r3h n GLN 5072CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1r3h n LEU 5073N -0.14 0.11 0.00 1.08 4.77 -0.34 -4.54 117.00 117.94 1r3h n LEU 5073Ca 0.00 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1r3h n LEU 5073Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1r3h n LEU 5073CO 0.00 0.03 0.33 -1.54 -1.33 0.00 0.00 177.39 174.88 1r3h n SER 5074N -2.10 0.00 -0.28 -1.43 3.41 -1.17 -0.08 113.62 111.97 1r3h n SER 5074Ca -0.03 0.66 0.29 0.00 -0.26 0.00 0.00 58.87 59.54 1r3h n SER 5074Cb 0.49 -0.16 0.67 0.00 -0.26 0.00 0.00 64.21 64.94 1r3h n SER 5074CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1r3h h GLU 5075N 0.00 0.12 -0.64 4.33 5.08 -1.84 1.51 114.58 123.14 1r3h h GLU 5075Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1r3h h GLU 5075Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1r3h h GLU 5075CO 0.00 0.08 0.00 -2.13 -1.00 0.00 0.00 179.01 175.96 1r3h n ARG 5076N -4.34 4.34 0.01 2.33 0.63 -0.89 -3.95 116.66 114.78 1r3h n ARG 5076Ca 0.23 -2.70 0.00 0.00 -0.92 0.00 0.00 57.85 54.46 1r3h n ARG 5076Cb 1.05 -2.16 0.00 0.00 0.45 0.00 0.00 32.46 31.80 1r3h n ARG 5076CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1r3h n ASN 5077N 0.55 0.02 -0.27 6.15 5.03 0.49 -4.79 115.26 122.43 1r3h n ASN 5077Ca 0.24 0.02 0.09 0.00 0.87 0.00 0.00 54.58 55.80 1r3h n ASN 5077Cb 1.06 0.01 0.23 0.00 -1.02 0.00 0.00 39.78 40.07 1r3h n ASN 5077CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 1r3h h LEU 5078N 0.00 0.11 -0.22 3.41 6.46 -0.86 0.26 115.31 124.47 1r3h h LEU 5078Ca 0.00 0.16 0.04 0.00 -0.12 0.00 0.00 57.88 57.96 1r3h h LEU 5078Cb 0.00 0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.08 1r3h h LEU 5078CO 0.00 -0.04 -0.03 0.24 -0.62 0.00 0.00 178.44 178.00 1r3h h MET 5079N 0.31 0.03 0.00 1.25 2.86 -1.69 0.38 114.93 118.07 1r3h h MET 5079Ca 0.48 -0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.93 1r3h h MET 5079Cb 0.87 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.50 1r3h h MET 5079CO -0.54 0.02 -0.86 1.79 1.06 0.00 0.00 176.91 178.39 1r3h h THR 5080N 0.04 1.57 0.00 2.22 1.35 -1.68 -3.01 112.91 113.39 1r3h h THR 5080Ca 0.11 -2.80 0.00 0.00 -0.55 0.00 0.00 66.41 63.16 1r3h h THR 5080Cb 0.15 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 1r3h h THR 5080CO -0.20 0.81 0.00 -0.11 -0.25 0.00 0.00 175.52 175.76 1r3h n LEU 5081N -3.58 0.17 -0.09 3.87 0.00 0.88 -2.02 117.00 116.23 1r3h n LEU 5081Ca -0.02 0.55 -0.14 0.00 0.00 0.00 0.00 56.01 56.41 1r3h n LEU 5081Cb 0.81 -0.53 -0.14 0.00 0.00 0.00 0.00 43.42 43.56 1r3h n LEU 5081CO 0.46 -0.38 -1.14 0.55 0.00 0.00 0.00 177.39 176.88 1r3h n VAL 5082N -1.69 1.48 0.34 1.96 3.14 0.06 -3.63 118.33 119.98 1r3h n VAL 5082Ca 0.02 -0.73 -0.17 0.00 -2.96 0.00 0.00 64.34 60.50 1r3h n VAL 5082Cb 0.15 -0.96 -0.09 0.00 -1.06 0.00 0.00 33.84 31.89 1r3h n VAL 5082CO 0.00 0.00 0.00 -0.74 -6.46 0.00 0.00 176.83 169.63 1r3h h HIS 5083N 0.01 -0.83 0.20 1.45 -0.00 -1.28 1.48 115.15 116.17 1r3h h HIS 5083Ca -0.52 -0.02 0.01 0.00 -0.00 0.00 0.00 60.37 59.84 1r3h h HIS 5083Cb 2.08 0.28 -0.04 0.00 -0.00 0.00 0.00 27.41 29.74 1r3h h HIS 5083CO 0.02 -0.50 -0.37 0.35 -0.00 0.00 0.00 177.93 177.43 1r3h h PHE 5084N -0.85 -1.02 0.00 5.26 3.57 -1.64 -0.41 116.94 121.86 1r3h h PHE 5084Ca -0.08 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1r3h h PHE 5084Cb 0.67 0.42 0.00 0.00 2.79 0.00 0.00 35.95 39.83 1r3h h PHE 5084CO -0.06 -0.49 0.00 1.88 -2.23 0.00 0.00 178.31 177.42 1r3h h TYR 5085N -0.65 0.00 -6.15 0.41 0.05 -1.60 -3.46 116.97 105.57 1r3h h TYR 5085Ca 0.01 0.00 -0.44 0.00 0.05 0.00 0.00 58.73 58.35 1r3h h TYR 5085Cb 0.65 0.00 -0.23 0.00 1.01 0.00 0.00 36.73 38.16 1r3h h TYR 5085CO -0.29 0.00 -0.66 -1.71 -1.05 0.00 0.00 178.16 174.45 1r3h n ASN 5086N -2.60 -0.62 0.11 3.88 2.85 0.51 -4.84 115.26 114.55 1r3h n ASN 5086Ca -0.00 -0.89 -0.07 0.00 -0.11 0.00 0.00 54.58 53.51 1r3h n ASN 5086Cb 0.17 -1.13 -0.04 0.00 1.24 0.00 0.00 39.78 40.02 1r3h n ASN 5086CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1r3h h LYS 5087N -0.74 -0.38 -0.37 1.20 1.79 -1.85 -3.46 116.57 112.76 1r3h h LYS 5087Ca -0.44 0.03 0.24 0.00 -2.18 0.00 0.00 60.65 58.30 1r3h h LYS 5087Cb 0.99 0.09 -0.23 0.00 -1.58 0.00 0.00 32.23 31.49 1r3h h LYS 5087CO 0.59 -0.25 0.27 -1.12 -1.08 0.00 0.00 179.45 177.86 1r3h s SER 5088N -3.07 -0.33 0.01 0.86 0.01 -1.26 -5.02 113.70 104.90 1r3h s SER 5088Ca -0.07 0.31 0.22 0.00 1.31 0.00 0.00 55.95 57.71 1r3h s SER 5088Cb 0.02 1.32 0.92 0.00 0.21 0.00 0.00 66.02 68.48 1r3h s SER 5088CO 0.23 -0.06 1.69 0.80 0.41 0.00 0.00 173.24 176.31 1r3h n MET 5089N 5.16 0.01 -1.63 12.44 1.56 -1.26 -2.81 117.12 130.59 1r3h n MET 5089Ca -0.08 0.14 -0.30 0.00 -0.27 0.00 0.00 57.70 57.19 1r3h n MET 5089Cb 0.54 -1.52 0.05 0.00 2.15 0.00 0.00 33.22 34.44 1r3h n MET 5089CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 1r3h n ASP 5090N -1.55 6.54 -0.40 6.12 10.43 -1.26 -4.79 116.55 131.64 1r3h n ASP 5090Ca 0.05 -3.77 0.00 0.00 2.57 0.00 0.00 54.79 53.64 1r3h n ASP 5090Cb 0.26 -0.71 0.00 0.00 1.84 0.00 0.00 41.12 42.50 1r3h n ASP 5090CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1r3h n ASP 5091N -0.82 0.00 -3.92 -2.24 10.43 -1.12 -5.04 116.55 113.83 1r3h n ASP 5091Ca 0.55 -0.40 -0.16 0.00 2.57 0.00 0.00 54.79 57.35 1r3h n ASP 5091Cb 0.78 0.00 -0.15 0.00 1.84 0.00 0.00 41.12 43.60 1r3h n ASP 5091CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 1r3h s SER 5092N 0.47 0.51 0.08 -2.24 0.15 -1.26 -3.71 113.70 107.70 1r3h s SER 5092Ca 0.00 -0.07 -0.00 0.00 0.70 0.00 0.00 55.95 56.58 1r3h s SER 5092Cb 0.00 -0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.16 1r3h s SER 5092CO 0.00 0.02 -0.03 -1.00 1.20 0.00 0.00 173.24 173.43 1r3h s HIS 5093N 0.12 0.68 0.15 3.44 0.09 -1.26 -5.04 115.29 113.47 1r3h s HIS 5093Ca -0.01 -1.04 0.01 0.00 -0.00 0.00 0.00 55.06 54.01 1r3h s HIS 5093Cb -0.04 -0.45 -0.04 0.00 -0.00 0.00 0.00 32.58 32.05 1r3h s HIS 5093CO -0.00 -0.32 0.02 0.95 -0.00 0.00 0.00 174.74 175.38 1r3h s THR 5094N -3.84 0.44 -0.13 1.30 -4.23 -1.26 -2.77 115.64 105.16 1r3h s THR 5094Ca 0.11 -1.95 -0.10 0.00 -1.18 0.00 0.00 61.69 58.58 1r3h s THR 5094Cb 0.07 -2.07 0.04 0.00 1.34 0.00 0.00 72.50 71.89 1r3h s THR 5094CO -0.07 -0.49 0.32 -0.22 -0.54 0.00 0.00 174.62 173.62 1r3h s LEU 5095N -3.12 0.55 -0.03 4.79 2.96 -1.02 -1.15 118.68 121.67 1r3h s LEU 5095Ca 0.23 0.66 0.07 0.00 -0.22 0.00 0.00 54.13 54.87 1r3h s LEU 5095Cb 0.07 1.07 -0.02 0.00 0.50 0.00 0.00 46.19 47.81 1r3h s LEU 5095CO 0.02 -0.14 -0.23 -1.10 -1.32 0.00 0.00 176.35 173.59 1r3h s GLN 5096N 0.61 2.00 0.07 1.98 -0.21 -0.36 -2.63 119.66 121.12 1r3h s GLN 5096Ca -0.04 -0.83 0.06 0.00 0.02 0.00 0.00 55.36 54.57 1r3h s GLN 5096Cb -0.05 -1.87 -0.04 0.00 1.00 0.00 0.00 33.01 32.05 1r3h s GLN 5096CO -0.04 0.47 -0.10 -0.46 -2.12 0.00 0.00 175.29 173.03 1r3h s TRP 5097N -0.44 2.75 -0.27 0.91 -0.11 -0.60 -1.35 118.94 119.82 1r3h s TRP 5097Ca 0.06 -0.14 0.00 0.00 1.22 0.00 0.00 56.10 57.24 1r3h s TRP 5097Cb -0.10 -1.48 0.16 0.00 -1.50 0.00 0.00 33.47 30.55 1r3h s TRP 5097CO 0.00 0.38 0.45 -1.17 -4.62 0.00 0.00 176.95 172.00 1r3h s LEU 5098N -1.88 -0.93 0.00 5.86 2.96 -0.96 -1.48 118.68 122.24 1r3h s LEU 5098Ca 0.19 0.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.28 1r3h s LEU 5098Cb -0.11 1.41 0.03 0.00 0.50 0.00 0.00 46.19 48.02 1r3h s LEU 5098CO 0.11 -0.31 0.26 0.00 -1.32 0.00 0.00 176.35 175.08 1r3h n GLN 5099N 5.38 0.85 -0.85 1.98 6.02 -1.07 -2.84 117.38 126.85 1r3h n GLN 5099Ca -0.01 -0.98 0.00 0.00 -0.01 0.00 0.00 57.00 56.00 1r3h n GLN 5099Cb 0.50 -0.08 0.00 0.00 1.02 0.00 0.00 30.24 31.68 1r3h n GLN 5099CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1r3h n ASP 5100N -2.80 0.00 -3.64 1.08 -0.08 -1.25 -2.31 116.55 107.55 1r3h n ASP 5100Ca 0.05 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.26 1r3h n ASP 5100Cb 0.19 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.58 1r3h n ASP 5100CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1r3h s ASP 5102N 0.42 5.85 -0.02 0.00 1.01 -0.39 -2.90 116.67 120.64 1r3h s ASP 5102Ca 0.01 -1.33 0.03 0.00 0.71 0.00 0.00 52.55 51.97 1r3h s ASP 5102Cb -0.05 -2.07 -0.03 0.00 1.01 0.00 0.00 42.92 41.78 1r3h s ASP 5102CO -0.08 -0.55 -0.07 -0.69 0.21 0.00 0.00 175.17 174.00 1r3h s VAL 5103N 1.53 3.68 -0.33 -1.27 1.01 -1.26 -0.23 120.40 123.53 1r3h s VAL 5103Ca 0.03 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 1r3h s VAL 5103Cb -0.23 -2.57 0.13 0.00 0.00 0.00 0.00 36.38 33.71 1r3h s VAL 5103CO 0.05 0.45 0.18 -0.70 0.00 0.00 0.00 175.10 175.08 1r3h s GLU 5104N -1.25 0.43 -0.47 2.72 2.56 -1.22 -4.13 118.70 117.33 1r3h s GLU 5104Ca 0.16 -1.04 -0.26 0.00 0.00 0.00 0.00 54.97 53.82 1r3h s GLU 5104Cb -0.11 -1.27 -0.25 0.00 2.00 0.00 0.00 34.13 34.49 1r3h s GLU 5104CO 0.06 -1.14 1.79 -2.30 -0.56 0.00 0.00 175.26 173.11 1r3h n PRO 5105N 4.48 0.79 0.16 4.30 -0.02 -1.26 -2.44 135.00 141.02 1r3h n PRO 5105Ca 0.05 -1.51 0.00 0.00 -2.02 0.00 0.00 63.50 60.02 1r3h n PRO 5105Cb 0.39 -2.83 0.00 0.00 -0.02 0.00 0.00 33.50 31.04 1r3h n PRO 5105CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1r3h n ASP 5106N 9.12 -2.92 -0.66 2.55 9.92 -1.26 -4.88 116.55 128.41 1r3h n ASP 5106Ca 0.48 0.66 0.01 0.00 -0.53 0.00 0.00 54.79 55.41 1r3h n ASP 5106Cb 0.42 2.86 0.06 0.00 -0.64 0.00 0.00 41.12 43.82 1r3h n ASP 5106CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1r3h n ARG 5107N -3.17 1.57 -4.02 -1.24 1.74 -1.19 -4.81 116.66 105.54 1r3h n ARG 5107Ca 0.00 -0.48 -0.32 0.00 -0.77 0.00 0.00 57.85 56.28 1r3h n ARG 5107Cb 0.00 -1.56 0.01 0.00 -1.02 0.00 0.00 32.46 29.89 1r3h n ARG 5107CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1r3h n HIS 5108N 0.07 -2.09 -2.62 -1.55 -0.00 -1.25 -4.91 115.22 102.88 1r3h n HIS 5108Ca 0.04 0.86 -0.34 0.00 0.46 0.00 0.00 57.72 58.75 1r3h n HIS 5108Cb 0.36 -3.61 -0.04 0.00 -0.12 0.00 0.00 29.99 26.58 1r3h n HIS 5108CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 1r3h s LEU 5109N -7.26 3.87 -0.30 0.27 0.20 -1.02 -5.00 118.68 109.44 1r3h s LEU 5109Ca 0.67 1.87 -0.16 0.00 0.69 0.00 0.00 54.13 57.19 1r3h s LEU 5109Cb -0.35 -4.55 0.17 0.00 -0.43 0.00 0.00 46.19 41.03 1r3h s LEU 5109CO 0.87 -0.67 1.07 0.00 -0.29 0.00 0.00 176.35 177.32 1r3h s LEU 5111N 2.05 5.32 -0.09 0.00 1.02 0.69 -3.70 118.68 123.96 1r3h s LEU 5111Ca -0.04 -1.80 -0.19 0.00 0.02 0.00 0.00 54.13 52.13 1r3h s LEU 5111Cb -0.04 -1.94 -0.04 0.00 0.02 0.00 0.00 46.19 44.19 1r3h s LEU 5111CO -0.16 -0.58 0.52 0.86 0.02 0.00 0.00 176.35 177.01 1r3h s TRP 5112N 1.31 3.56 0.26 0.29 -0.11 -1.14 -1.26 118.94 121.84 1r3h s TRP 5112Ca 0.05 0.99 0.11 0.00 1.22 0.00 0.00 56.10 58.47 1r3h s TRP 5112Cb -0.24 -2.58 -0.05 0.00 -1.50 0.00 0.00 33.47 29.10 1r3h s TRP 5112CO -0.01 0.21 -0.16 0.71 -4.62 0.00 0.00 176.95 173.07 1r3h s TYR 5113N 0.45 2.39 -0.30 5.86 1.51 -1.10 -1.28 117.35 124.88 1r3h s TYR 5113Ca 0.28 -0.31 -0.13 0.00 -1.01 0.00 0.00 57.07 55.90 1r3h s TYR 5113Cb -0.16 -1.07 0.18 0.00 -0.11 0.00 0.00 41.96 40.80 1r3h s TYR 5113CO 0.13 0.65 1.09 1.21 -1.11 0.00 0.00 175.55 177.52 1r3h s ASN 5114N -3.37 -0.35 0.02 2.29 2.47 -1.22 -3.81 114.94 110.98 1r3h s ASN 5114Ca 0.29 0.13 0.03 0.00 0.42 0.00 0.00 52.86 53.72 1r3h s ASN 5114Cb -0.06 1.26 -0.02 0.00 -1.45 0.00 0.00 41.25 40.98 1r3h s ASN 5114CO 0.15 -0.06 -0.09 -1.10 -3.72 0.00 0.00 177.10 172.28 1r3h s GLN 5115N 2.96 0.60 0.07 0.43 -0.21 -1.13 -4.66 119.66 117.72 1r3h s GLN 5115Ca 0.11 -0.56 0.05 0.00 0.02 0.00 0.00 55.36 54.98 1r3h s GLN 5115Cb -0.06 -0.50 -0.03 0.00 1.00 0.00 0.00 33.01 33.42 1r3h s GLN 5115CO -0.16 0.12 -0.14 -0.51 -2.12 0.00 0.00 175.29 172.49 1r3h s LEU 5116N -0.96 2.26 0.00 2.90 1.02 -1.26 -2.27 118.68 120.37 1r3h s LEU 5116Ca -0.03 -0.59 0.01 0.00 0.02 0.00 0.00 54.13 53.54 1r3h s LEU 5116Cb -0.07 -0.50 -0.01 0.00 0.02 0.00 0.00 46.19 45.64 1r3h s LEU 5116CO 0.00 -0.07 -0.03 0.00 0.02 0.00 0.00 176.35 176.28 1r3h s ALA 5117N -1.22 0.21 -0.39 4.21 0.00 -0.45 -1.40 121.76 122.71 1r3h s ALA 5117Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1r3h s ALA 5117Cb -0.10 -0.02 0.11 0.00 0.00 0.00 0.00 23.12 23.11 1r3h s ALA 5117CO 0.02 0.02 0.15 -0.47 0.00 0.00 0.00 175.76 175.49 1r3h s TYR 5118N -0.29 3.64 -0.93 0.00 5.04 -0.75 -1.23 117.35 122.84 1r3h s TYR 5118Ca -0.02 -2.69 -0.03 0.00 -2.44 0.00 0.00 57.07 51.89 1r3h s TYR 5118Cb -0.02 -3.10 0.00 0.00 0.35 0.00 0.00 41.96 39.19 1r3h s TYR 5118CO -0.00 -0.95 0.46 -0.25 -1.34 0.00 0.00 175.55 173.46 1r3h n ASP 5119N 4.37 -4.44 -0.08 4.32 8.00 -0.30 -3.15 116.55 125.27 1r3h n ASP 5119Ca 0.01 -0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.30 1r3h n ASP 5119Cb 0.41 -3.25 0.00 0.00 -0.02 0.00 0.00 41.12 38.26 1r3h n ASP 5119CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1r3h n SER 5120N -0.96 -1.13 -3.90 -2.24 2.88 -1.26 -5.05 113.62 101.96 1r3h n SER 5120Ca -0.05 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.19 1r3h n SER 5120Cb 0.57 -0.48 -0.16 0.00 -0.75 0.00 0.00 64.21 63.39 1r3h n SER 5120CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1r3h s GLU 5121N -4.06 1.42 0.11 -1.46 2.02 -1.19 -5.08 118.70 110.47 1r3h s GLU 5121Ca 0.00 -0.92 -0.36 0.00 0.02 0.00 0.00 54.97 53.72 1r3h s GLU 5121Cb 0.00 -2.50 -0.16 0.00 0.10 0.00 0.00 34.13 31.57 1r3h s GLU 5121CO 0.00 -0.63 1.36 -0.25 0.02 0.00 0.00 175.26 175.76 1r3h n ASP 5122N 4.73 1.88 -4.33 -0.19 9.92 -1.26 -1.81 116.55 125.49 1r3h n ASP 5122Ca -0.11 1.12 -0.32 0.00 -0.53 0.00 0.00 54.79 54.95 1r3h n ASP 5122Cb 0.44 -1.24 -0.15 0.00 -0.64 0.00 0.00 41.12 39.53 1r3h n ASP 5122CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1r3h s LEU 5123N 0.57 2.39 0.12 0.64 1.43 -0.50 -4.92 118.68 118.41 1r3h s LEU 5123Ca 0.82 -0.40 -0.33 0.00 -1.03 0.00 0.00 54.13 53.18 1r3h s LEU 5123Cb -0.89 -1.49 -0.13 0.00 0.03 0.00 0.00 46.19 43.72 1r3h s LEU 5123CO 0.46 0.22 1.67 -0.81 0.23 0.00 0.00 176.35 178.13 1r3h n PRO 5124N 3.10 2.29 -0.09 1.29 -0.04 -1.26 -4.28 135.00 136.01 1r3h n PRO 5124Ca -0.18 0.83 0.05 0.00 -0.04 0.00 0.00 63.50 64.16 1r3h n PRO 5124Cb 0.52 -2.63 0.10 0.00 -0.04 0.00 0.00 33.50 31.45 1r3h n PRO 5124CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1r3h n THR 5125N 3.91 0.53 0.00 0.52 -2.24 -1.26 -5.02 114.28 110.73 1r3h n THR 5125Ca 0.18 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1r3h n THR 5125Cb 0.30 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 1r3h n THR 5125CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1r3h n LEU 5126N 0.51 0.00 -2.15 3.22 7.99 -1.26 -4.60 117.00 120.71 1r3h n LEU 5126Ca 0.09 0.00 -0.29 0.00 -0.01 0.00 0.00 56.01 55.80 1r3h n LEU 5126Cb 0.34 0.00 0.09 0.00 -0.11 0.00 0.00 43.42 43.74 1r3h n LEU 5126CO 0.07 0.00 1.10 -0.24 -1.51 0.00 0.00 177.39 176.80 1r3h n SER 5127N 0.25 6.19 -0.41 -1.43 2.88 -1.26 -5.07 113.62 114.76 1r3h n SER 5127Ca 0.00 -3.76 0.00 0.00 -1.33 0.00 0.00 58.87 53.78 1r3h n SER 5127Cb 0.00 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 1r3h n SER 5127CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1r3h n GLU 5128N -0.92 0.00 0.05 -1.46 0.28 -1.26 -4.70 120.64 112.62 1r3h n GLU 5128Ca 0.56 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.56 1r3h n GLU 5128Cb 0.88 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.75 1r3h n GLU 5128CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1r3h n ASN 5129N -3.47 0.79 -1.61 -1.84 5.15 -1.26 -4.70 115.26 108.33 1r3h n ASN 5129Ca 0.00 0.13 -0.11 0.00 -0.60 0.00 0.00 54.58 54.00 1r3h n ASN 5129Cb 0.00 -0.21 0.07 0.00 -0.53 0.00 0.00 39.78 39.10 1r3h n ASN 5129CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1r3h n PRO 5130N -3.38 1.58 0.00 1.20 -0.05 -1.23 -3.02 135.00 130.09 1r3h n PRO 5130Ca 0.00 -1.30 0.00 0.00 -0.05 0.00 0.00 63.50 62.15 1r3h n PRO 5130Cb 0.10 -1.51 0.00 0.00 -0.05 0.00 0.00 33.50 32.04 1r3h n PRO 5130CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 1r3h n SER 5131N -0.02 -0.07 -4.11 3.54 2.88 -0.41 -4.39 113.62 111.03 1r3h n SER 5131Ca 0.26 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.52 1r3h n SER 5131Cb 0.89 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 64.18 1r3h n SER 5131CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1r3h s SER 5132N -2.52 2.38 -0.35 -3.46 0.15 -1.26 -2.89 113.70 105.75 1r3h s SER 5132Ca 0.00 -0.42 -0.20 0.00 0.70 0.00 0.00 55.95 56.03 1r3h s SER 5132Cb 0.00 -1.10 -0.00 0.00 -1.71 0.00 0.00 66.02 63.21 1r3h s SER 5132CO 0.00 0.09 0.62 0.00 1.20 0.00 0.00 173.24 175.15 1r3h h THR 5134N 5.65 0.00 0.00 0.00 1.03 -1.95 -3.46 112.91 114.18 1r3h h THR 5134Ca -0.27 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.13 1r3h h THR 5134Cb 1.11 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.19 1r3h h THR 5134CO 0.82 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 176.33 1r3h n GLN 5158N -4.24 0.00 -1.50 0.00 10.64 -1.26 -5.12 117.38 115.90 1r3h n GLN 5158Ca -0.03 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.79 1r3h n GLN 5158Cb 0.21 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.55 1r3h n GLN 5158CO 0.00 0.00 0.00 1.58 -1.83 0.00 0.00 177.06 176.81 1r3h n HIS 5159N 0.00 2.13 0.30 2.61 -0.00 -1.26 -4.48 115.22 114.53 1r3h n HIS 5159Ca 0.00 -2.74 0.17 0.00 0.46 0.00 0.00 57.72 55.61 1r3h n HIS 5159Cb 0.00 -2.10 0.75 0.00 -0.12 0.00 0.00 29.99 28.52 1r3h n HIS 5159CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1r3h h LEU 5160N 6.09 0.00 -0.52 0.27 5.85 -2.01 -2.80 115.31 122.20 1r3h h LEU 5160Ca 0.71 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.40 1r3h h LEU 5160Cb 0.46 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1r3h h LEU 5160CO 1.44 0.00 0.21 -0.33 -0.34 0.00 0.00 178.44 179.42 1r3h h GLU 5161N 0.00 0.77 -0.26 1.25 5.08 -1.96 -3.12 114.58 116.34 1r3h h GLU 5161Ca 0.00 -0.14 0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1r3h h GLU 5161Cb 0.40 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 1r3h h GLU 5161CO 0.00 0.67 -0.34 0.78 -1.00 0.00 0.00 179.01 179.12 1r3h h GLY 5162N 0.69 -1.39 -1.56 -3.84 0.00 -1.87 -1.67 103.07 93.43 1r3h h GLY 5162Ca 0.17 0.77 0.00 0.00 0.00 0.00 0.00 47.33 48.28 1r3h h GLY 5162CO -0.02 -0.36 0.00 1.42 0.00 0.00 0.00 176.54 177.58 1r3h n HIS 5163N -4.32 0.62 0.20 5.60 8.25 -1.25 -4.41 115.22 119.91 1r3h n HIS 5163Ca -0.02 -0.25 -0.08 0.00 -0.26 0.00 0.00 57.72 57.11 1r3h n HIS 5163Cb 0.20 -0.13 -0.04 0.00 1.12 0.00 0.00 29.99 31.14 1r3h n HIS 5163CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1r3h h SER 5165N -0.55 0.29 -0.22 0.00 0.02 -1.77 0.37 113.55 111.69 1r3h h SER 5165Ca -0.05 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1r3h h SER 5165Cb 0.40 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1r3h h SER 5165CO 0.09 0.17 0.08 0.44 -1.14 0.00 0.00 176.83 176.46 1r3h h ASP 5166N 0.32 0.31 0.15 3.07 5.19 -1.74 -1.47 116.42 122.26 1r3h h ASP 5166Ca 0.28 -0.19 -0.24 0.00 -0.62 0.00 0.00 57.03 56.26 1r3h h ASP 5166Cb 0.66 -0.08 0.01 0.00 0.18 0.00 0.00 39.33 40.10 1r3h h ASP 5166CO -0.07 0.42 -0.98 0.58 -3.12 0.00 0.00 179.24 176.07 1r3h h VAL 5167N 0.19 1.33 -0.25 -1.35 2.07 0.13 -3.29 116.25 115.09 1r3h h VAL 5167Ca 0.07 -2.32 0.04 0.00 0.82 0.00 0.00 66.70 65.31 1r3h h VAL 5167Cb 0.21 2.37 -0.04 0.00 -1.52 0.00 0.00 31.29 32.31 1r3h h VAL 5167CO -0.00 0.71 0.02 0.25 0.02 0.00 0.00 177.57 178.57 1r3h h LEU 5168N 0.33 -0.04 0.00 2.57 5.85 -0.27 -1.24 115.31 122.51 1r3h h LEU 5168Ca -0.10 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1r3h h LEU 5168Cb 1.62 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.73 1r3h h LEU 5168CO 0.18 0.01 0.00 1.67 -0.34 0.00 0.00 178.44 179.96 1r3h n GLN 5169N -5.12 0.51 -0.04 1.25 7.27 -0.56 -2.37 117.38 118.32 1r3h n GLN 5169Ca -0.01 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 57.01 1r3h n GLN 5169Cb 0.12 -1.31 -0.05 0.00 2.41 0.00 0.00 30.24 31.41 1r3h n GLN 5169CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1r3h n LYS 5170N -0.81 1.67 0.07 3.69 4.81 -0.69 -4.49 118.16 122.42 1r3h n LYS 5170Ca 0.07 0.02 0.10 0.00 -0.87 0.00 0.00 58.31 57.64 1r3h n LYS 5170Cb 0.03 -1.18 0.56 0.00 0.02 0.00 0.00 35.03 34.47 1r3h n LYS 5170CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1r3h h TYR 5171N 0.00 0.22 0.00 5.64 0.05 -0.88 0.56 116.97 122.56 1r3h h TYR 5171Ca -0.19 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.59 1r3h h TYR 5171Cb 1.37 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 39.04 1r3h h TYR 5171CO 0.00 0.13 0.00 1.28 -1.05 0.00 0.00 178.16 178.52 1r3h n LEU 5172N -4.48 0.00 -0.04 3.88 4.77 -1.15 -2.47 117.00 117.50 1r3h n LEU 5172Ca 0.04 0.09 0.01 0.00 -0.03 0.00 0.00 56.01 56.11 1r3h n LEU 5172Cb 0.23 -0.09 -0.12 0.00 -2.33 0.00 0.00 43.42 41.12 1r3h n LEU 5172CO 0.35 -0.01 -0.83 -0.62 -1.33 0.00 0.00 177.39 174.94 1r3h n GLU 5173N -1.09 1.02 0.03 3.23 1.02 0.19 -3.27 120.64 121.76 1r3h n GLU 5173Ca 0.17 -0.08 -0.01 0.00 -0.02 0.00 0.00 57.16 57.23 1r3h n GLU 5173Cb 0.12 -1.38 -0.09 0.00 -0.02 0.00 0.00 31.44 30.08 1r3h n GLU 5173CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1r3h n LYS 5174N -2.29 0.62 -2.70 3.49 4.76 -0.70 -4.43 118.16 116.91 1r3h n LYS 5174Ca -0.13 0.23 -0.00 0.00 -2.87 0.00 0.00 58.31 55.54 1r3h n LYS 5174Cb 0.69 -1.81 0.05 0.00 -1.84 0.00 0.00 35.03 32.12 1r3h n LYS 5174CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1r3h n GLY 5175N 1.41 1.81 0.38 0.72 0.00 -1.03 -2.90 105.19 105.57 1r3h n GLY 5175Ca -0.10 -1.07 0.25 0.00 0.00 0.00 0.00 46.02 45.09 1r3h n GLY 5175CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1r3h h LYS 5176N 2.45 0.33 -0.15 1.61 2.10 -1.75 0.64 116.57 121.80 1r3h h LYS 5176Ca -0.14 -0.02 -0.15 0.00 -2.00 0.00 0.00 60.65 58.34 1r3h h LYS 5176Cb 1.33 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.58 1r3h h LYS 5176CO 0.18 0.22 -0.55 1.49 -2.00 0.00 0.00 179.45 178.80 1r3h h GLU 5177N 0.34 0.44 0.05 0.07 4.57 -1.89 0.65 114.58 118.81 1r3h h GLU 5177Ca 0.70 -0.27 -0.30 0.00 -1.18 0.00 0.00 59.36 58.31 1r3h h GLU 5177Cb 1.72 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 30.31 1r3h h GLU 5177CO -0.48 0.87 -1.68 0.00 -1.18 0.00 0.00 179.01 176.54 1r3h h ARG 5178N 0.34 0.10 0.00 1.92 2.47 -1.52 -3.39 114.38 114.30 1r3h h ARG 5178Ca 0.01 -0.18 -0.18 0.00 -1.26 0.00 0.00 59.98 58.37 1r3h h ARG 5178Cb 1.06 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 29.42 1r3h h ARG 5178CO 0.10 0.80 -1.36 -0.07 0.56 0.00 0.00 179.97 180.00 1r3h h LEU 5179N 0.03 0.00 -7.82 3.04 3.38 0.25 -3.39 115.31 110.79 1r3h h LEU 5179Ca -0.28 0.00 -0.79 0.00 0.09 0.00 0.00 57.88 56.90 1r3h h LEU 5179Cb 2.00 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 42.49 1r3h h LEU 5179CO 0.10 0.65 0.13 -0.76 0.09 0.00 0.00 178.44 178.65 1r3h s LEU 5180N -5.92 6.72 -0.29 1.67 1.02 0.23 -4.98 118.68 117.13 1r3h s LEU 5180Ca -0.02 -2.72 -0.18 0.00 0.02 0.00 0.00 54.13 51.22 1r3h s LEU 5180Cb 0.08 -2.21 0.15 0.00 0.02 0.00 0.00 46.19 44.23 1r3h s LEU 5180CO 0.81 -0.57 1.03 -0.60 0.02 0.00 0.00 176.35 177.04 1r3h s ARG 5181N 0.14 0.37 -0.56 1.70 3.52 -1.26 -4.73 118.95 118.12 1r3h s ARG 5181Ca 0.19 0.58 -0.02 0.00 -0.13 0.00 0.00 55.73 56.35 1r3h s ARG 5181Cb -0.10 0.11 0.15 0.00 -1.56 0.00 0.00 34.95 33.54 1r3h s ARG 5181CO -0.09 -0.07 0.36 -1.12 -0.81 0.00 0.00 175.30 173.57 1r3h s SER 5182N 1.01 5.09 -0.34 -2.12 0.01 -1.26 -4.62 113.70 111.47 1r3h s SER 5182Ca -0.05 -2.71 -0.18 0.00 1.31 0.00 0.00 55.95 54.32 1r3h s SER 5182Cb -0.04 -1.81 -0.01 0.00 0.21 0.00 0.00 66.02 64.37 1r3h s SER 5182CO -0.13 -0.38 0.50 -1.81 0.41 0.00 0.00 173.24 171.83 1r3h s ASP 5183N 0.76 6.32 0.73 2.44 1.01 0.19 -4.57 116.67 123.54 1r3h s ASP 5183Ca 0.15 0.03 -0.11 0.00 0.71 0.00 0.00 52.55 53.32 1r3h s ASP 5183Cb -0.21 -2.26 0.03 0.00 1.01 0.00 0.00 42.92 41.49 1r3h s ASP 5183CO -0.03 -0.44 1.11 -2.16 0.21 0.00 0.00 175.17 173.86 1r3h s PRO 5184N 2.35 2.61 0.48 8.23 0.04 -1.26 0.94 135.00 148.38 1r3h s PRO 5184Ca 0.18 0.34 -0.03 0.00 0.04 0.00 0.00 61.00 61.53 1r3h s PRO 5184Cb -0.16 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 1r3h s PRO 5184CO 0.13 -1.18 0.75 -1.25 0.04 0.00 0.00 177.00 175.49 1r3h s PRO 5185N -5.40 3.32 -0.18 0.56 0.05 -1.26 -3.55 135.00 128.53 1r3h s PRO 5185Ca 0.59 -0.05 -0.00 0.00 0.05 0.00 0.00 61.00 61.59 1r3h s PRO 5185Cb -0.11 -2.43 0.05 0.00 0.05 0.00 0.00 34.50 32.06 1r3h s PRO 5185CO 0.51 -0.26 -0.04 -1.59 0.05 0.00 0.00 177.00 175.66 1r3h s LYS 5186N -4.69 1.39 0.13 4.56 0.00 0.18 -4.88 119.74 116.43 1r3h s LYS 5186Ca 0.48 -0.59 0.07 0.00 0.00 0.00 0.00 55.97 55.92 1r3h s LYS 5186Cb -0.10 -2.12 -0.04 0.00 0.00 0.00 0.00 37.83 35.56 1r3h s LYS 5186CO 0.42 -0.48 -0.05 0.00 0.00 0.00 0.00 175.35 175.24 1r3h s ALA 5187N 1.61 3.09 0.13 0.59 0.00 -1.26 -1.75 121.76 124.17 1r3h s ALA 5187Ca -0.01 -1.28 -0.18 0.00 0.00 0.00 0.00 51.96 50.49 1r3h s ALA 5187Cb -0.16 -0.96 0.05 0.00 0.00 0.00 0.00 23.12 22.04 1r3h s ALA 5187CO -0.07 0.59 0.46 -3.38 0.00 0.00 0.00 175.76 173.36 1r3h s HIS 5188N -1.44 -0.31 0.07 0.00 -3.43 -1.22 -4.98 115.29 103.97 1r3h s HIS 5188Ca 0.24 0.05 0.08 0.00 -0.80 0.00 0.00 55.06 54.64 1r3h s HIS 5188Cb -0.10 0.35 -0.03 0.00 -1.43 0.00 0.00 32.58 31.36 1r3h s HIS 5188CO 0.16 -0.74 -0.23 0.08 -2.00 0.00 0.00 174.74 172.01 1r3h s VAL 5189N -3.69 1.86 -0.02 -5.38 1.01 -1.26 0.20 120.40 113.12 1r3h s VAL 5189Ca 0.02 -1.39 0.07 0.00 0.00 0.00 0.00 61.98 60.68 1r3h s VAL 5189Cb 0.01 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 1r3h s VAL 5189CO -0.12 0.17 -0.23 -0.89 0.00 0.00 0.00 175.10 174.04 1r3h s THR 5190N -0.91 1.80 -0.27 3.92 2.01 -1.02 -4.94 115.64 116.22 1r3h s THR 5190Ca 0.09 -0.97 -0.08 0.00 0.31 0.00 0.00 61.69 61.04 1r3h s THR 5190Cb -0.09 -1.50 -0.01 0.00 0.01 0.00 0.00 72.50 70.91 1r3h s THR 5190CO 0.03 0.51 0.09 -0.60 -0.69 0.00 0.00 174.62 173.96 1r3h s ARG 5191N -0.50 3.43 -0.38 4.92 3.52 -1.26 -3.02 118.95 125.65 1r3h s ARG 5191Ca 0.08 -0.63 0.01 0.00 -0.13 0.00 0.00 55.73 55.05 1r3h s ARG 5191Cb -0.09 -3.38 0.12 0.00 -1.56 0.00 0.00 34.95 30.04 1r3h s ARG 5191CO -0.01 -0.31 0.18 -1.01 -0.81 0.00 0.00 175.30 173.35 1r3h s HIS 5192N 1.58 1.73 -0.07 5.12 3.76 -1.25 -5.02 115.29 121.14 1r3h s HIS 5192Ca 0.05 -2.06 -0.39 0.00 -0.15 0.00 0.00 55.06 52.51 1r3h s HIS 5192Cb -0.16 -1.71 -0.18 0.00 1.11 0.00 0.00 32.58 31.65 1r3h s HIS 5192CO 0.04 -0.83 1.40 -2.30 -0.85 0.00 0.00 174.74 172.20 1r3h n PRO 5193N 4.12 0.78 -2.57 8.40 -0.02 -1.26 -2.84 135.00 141.61 1r3h n PRO 5193Ca 0.05 0.28 -0.43 0.00 -2.02 0.00 0.00 63.50 61.38 1r3h n PRO 5193Cb 0.38 -1.89 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 1r3h n PRO 5193CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1r3h s ARG 5194N 1.31 4.32 -0.35 -0.52 3.52 0.11 -4.87 118.95 122.48 1r3h s ARG 5194Ca 0.91 1.51 -0.28 0.00 -0.13 0.00 0.00 55.73 57.74 1r3h s ARG 5194Cb -1.10 -3.62 -0.29 0.00 -1.56 0.00 0.00 34.95 28.38 1r3h s ARG 5194CO 0.57 -0.51 1.74 -2.30 -0.81 0.00 0.00 175.30 173.99 1r3h n PRO 5195N 5.71 0.55 0.00 5.12 -0.02 -1.26 -2.11 135.00 142.99 1r3h n PRO 5195Ca 0.11 -1.36 0.00 0.00 -2.02 0.00 0.00 63.50 60.23 1r3h n PRO 5195Cb 0.47 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 1r3h n PRO 5195CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1r3h n GLU 5196N 7.69 0.00 0.00 -0.52 1.02 -1.26 -5.00 120.64 122.57 1r3h n GLU 5196Ca 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1r3h n GLU 5196Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.84 1r3h n GLU 5196CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1r3h n GLY 5197N -1.28 -0.21 0.00 0.62 0.00 -0.90 -5.16 105.19 98.25 1r3h n GLY 5197Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1r3h n GLY 5197CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1r3h n ASP 5198N 0.00 1.27 -4.41 1.61 8.00 -1.19 -4.51 116.55 117.31 1r3h n ASP 5198Ca 0.00 -0.05 -0.21 0.00 0.71 0.00 0.00 54.79 55.24 1r3h n ASP 5198Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 1r3h n ASP 5198CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1r3h s VAL 5199N 1.28 1.68 0.14 2.53 1.01 -0.95 0.08 120.40 126.17 1r3h s VAL 5199Ca 0.00 -2.15 0.03 0.00 0.00 0.00 0.00 61.98 59.86 1r3h s VAL 5199Cb 0.00 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1r3h s VAL 5199CO 0.00 -0.37 -0.08 -0.89 0.00 0.00 0.00 175.10 173.76 1r3h s THR 5200N -2.99 0.99 -0.21 3.92 2.01 -1.13 -2.60 115.64 115.63 1r3h s THR 5200Ca 0.28 -2.02 -0.19 0.00 0.31 0.00 0.00 61.69 60.07 1r3h s THR 5200Cb 0.02 -1.83 0.05 0.00 0.01 0.00 0.00 72.50 70.76 1r3h s THR 5200CO 0.11 -0.76 0.55 -0.76 -0.69 0.00 0.00 174.62 173.07 1r3h s LEU 5201N -3.13 -0.13 -0.06 4.42 1.43 -1.13 -3.75 118.68 116.34 1r3h s LEU 5201Ca 0.16 1.12 -0.01 0.00 -1.03 0.00 0.00 54.13 54.36 1r3h s LEU 5201Cb 0.04 1.89 0.03 0.00 0.03 0.00 0.00 46.19 48.18 1r3h s LEU 5201CO -0.01 -0.19 0.02 -0.60 0.23 0.00 0.00 176.35 175.80 1r3h s ARG 5202N 0.35 0.39 -0.21 1.70 3.52 -1.17 -1.78 118.95 121.74 1r3h s ARG 5202Ca -0.00 0.17 -0.16 0.00 -0.13 0.00 0.00 55.73 55.61 1r3h s ARG 5202Cb -0.04 -0.78 -0.04 0.00 -1.56 0.00 0.00 34.95 32.53 1r3h s ARG 5202CO -0.00 -0.28 0.41 0.00 -0.81 0.00 0.00 175.30 174.61 1r3h s TRP 5204N 1.48 3.40 -0.21 0.00 0.52 0.13 -1.29 118.94 122.97 1r3h s TRP 5204Ca 0.19 -0.01 -0.05 0.00 0.02 0.00 0.00 56.10 56.25 1r3h s TRP 5204Cb -0.15 -1.68 0.11 0.00 -1.15 0.00 0.00 33.47 30.59 1r3h s TRP 5204CO 0.08 0.32 0.40 0.00 0.02 0.00 0.00 176.95 177.77 1r3h s ALA 5205N -2.06 -1.11 0.06 0.98 0.00 -0.88 -3.45 121.76 115.30 1r3h s ALA 5205Ca 0.37 1.27 0.04 0.00 0.00 0.00 0.00 51.96 53.63 1r3h s ALA 5205Cb -0.09 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 1r3h s ALA 5205CO 0.30 -0.93 -0.11 -0.51 0.00 0.00 0.00 175.76 174.51 1r3h s LEU 5206N 2.58 2.29 0.00 0.00 1.43 -0.72 -3.02 118.68 121.24 1r3h s LEU 5206Ca 0.04 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 1r3h s LEU 5206Cb -0.13 -0.34 0.00 0.00 0.03 0.00 0.00 46.19 45.75 1r3h s LEU 5206CO -0.14 -0.16 0.00 0.61 0.23 0.00 0.00 176.35 176.90 1r3h n GLY 5207N 1.25 0.68 3.84 -3.19 0.00 -1.09 -0.64 105.19 106.03 1r3h n GLY 5207Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 1r3h n GLY 5207CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1r3h s PHE 5208N -2.51 3.38 -0.10 1.61 -0.12 -1.23 -4.61 117.98 114.41 1r3h s PHE 5208Ca 0.00 1.33 -0.05 0.00 -0.05 0.00 0.00 56.93 58.16 1r3h s PHE 5208Cb 0.00 -2.62 0.05 0.00 -0.63 0.00 0.00 43.02 39.82 1r3h s PHE 5208CO 0.00 0.07 0.23 -0.47 -0.05 0.00 0.00 175.22 174.99 1r3h s TYR 5209N -1.99 -0.30 0.90 3.49 5.04 0.27 -1.62 117.35 123.13 1r3h s TYR 5209Ca 0.55 0.75 -0.13 0.00 -2.44 0.00 0.00 57.07 55.80 1r3h s TYR 5209Cb -0.11 0.00 0.17 0.00 0.35 0.00 0.00 41.96 42.38 1r3h s TYR 5209CO 0.17 -0.24 1.25 -1.25 -1.34 0.00 0.00 175.55 174.14 1r3h s PRO 5210N 1.40 0.98 0.00 4.97 0.04 -1.26 0.54 135.00 141.67 1r3h s PRO 5210Ca -0.08 -0.48 0.02 0.00 0.04 0.00 0.00 61.00 60.51 1r3h s PRO 5210Cb -0.11 -1.95 0.12 0.00 0.04 0.00 0.00 34.50 32.60 1r3h s PRO 5210CO -0.08 -2.15 0.41 0.00 0.04 0.00 0.00 177.00 175.23 1r3h n ALA 5211N -3.55 1.75 -2.71 8.56 0.00 -1.26 -4.70 120.51 118.60 1r3h n ALA 5211Ca 0.14 -0.01 -0.39 0.00 0.00 0.00 0.00 53.44 53.19 1r3h n ALA 5211Cb 0.60 -1.03 -0.11 0.00 0.00 0.00 0.00 19.45 18.90 1r3h n ALA 5211CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1r3h s ASP 5212N -1.82 5.79 0.19 0.00 1.01 -1.26 -4.95 116.67 115.63 1r3h s ASP 5212Ca 0.03 -0.26 -0.17 0.00 0.71 0.00 0.00 52.55 52.85 1r3h s ASP 5212Cb 0.01 -2.07 0.03 0.00 1.01 0.00 0.00 42.92 41.90 1r3h s ASP 5212CO 0.02 -0.13 0.51 -0.51 0.21 0.00 0.00 175.17 175.27 1r3h s ILE 5213N 1.70 0.03 -0.22 0.77 2.07 -1.26 -4.56 121.20 119.73 1r3h s ILE 5213Ca 0.06 -0.74 0.01 0.00 -1.41 0.00 0.00 60.65 58.57 1r3h s ILE 5213Cb -0.16 -1.52 0.05 0.00 0.13 0.00 0.00 42.46 40.96 1r3h s ILE 5213CO 0.09 -0.13 -0.06 -0.89 -1.91 0.00 0.00 174.94 172.03 1r3h s THR 5214N -3.86 1.52 -0.34 4.00 2.01 -1.03 -5.02 115.64 112.92 1r3h s THR 5214Ca 0.08 -1.12 -0.06 0.00 0.31 0.00 0.00 61.69 60.90 1r3h s THR 5214Cb -0.01 -1.73 0.04 0.00 0.01 0.00 0.00 72.50 70.81 1r3h s THR 5214CO -0.04 -0.02 0.11 -0.76 -0.69 0.00 0.00 174.62 173.22 1r3h s LEU 5215N 1.42 4.35 0.02 4.42 1.43 -1.26 -3.36 118.68 125.70 1r3h s LEU 5215Ca -0.04 -1.17 0.03 0.00 -1.03 0.00 0.00 54.13 51.91 1r3h s LEU 5215Cb -0.18 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 1r3h s LEU 5215CO -0.07 -0.34 -0.08 0.42 0.23 0.00 0.00 176.35 176.51 1r3h s THR 5216N 1.39 0.64 -0.15 5.49 -4.23 -1.21 -4.99 115.64 112.57 1r3h s THR 5216Ca -0.01 -0.75 -0.04 0.00 -1.18 0.00 0.00 61.69 59.70 1r3h s THR 5216Cb -0.20 -0.62 -0.03 0.00 1.34 0.00 0.00 72.50 73.00 1r3h s THR 5216CO 0.03 -0.11 -0.01 0.26 -0.54 0.00 0.00 174.62 174.25 1r3h s TRP 5217N -0.80 3.09 0.28 3.99 0.52 -1.26 -2.42 118.94 122.33 1r3h s TRP 5217Ca -0.03 -0.16 0.06 0.00 0.02 0.00 0.00 56.10 55.99 1r3h s TRP 5217Cb -0.07 -1.97 -0.06 0.00 -1.15 0.00 0.00 33.47 30.23 1r3h s TRP 5217CO 0.00 0.06 -0.04 -0.65 0.02 0.00 0.00 176.95 176.34 1r3h s GLN 5218N 0.23 1.54 -0.68 4.98 -0.21 -1.08 -0.74 119.66 123.71 1r3h s GLN 5218Ca -0.01 -1.79 0.05 0.00 0.02 0.00 0.00 55.36 53.64 1r3h s GLN 5218Cb -0.13 -1.09 0.22 0.00 1.00 0.00 0.00 33.01 33.01 1r3h s GLN 5218CO 0.02 0.01 0.68 1.17 -2.12 0.00 0.00 175.29 175.05 1r3h n LYS 5219N -0.58 2.35 -3.42 2.91 4.81 0.51 -2.93 118.16 121.80 1r3h n LYS 5219Ca -0.05 -4.61 -0.20 0.00 -0.87 0.00 0.00 58.31 52.58 1r3h n LYS 5219Cb 0.64 -2.28 0.07 0.00 0.02 0.00 0.00 35.03 33.48 1r3h n LYS 5219CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1r3h n ASP 5220N 1.24 -4.89 0.00 3.14 10.43 -0.71 -3.35 116.55 122.40 1r3h n ASP 5220Ca 0.26 -0.50 0.00 0.00 2.57 0.00 0.00 54.79 57.13 1r3h n ASP 5220Cb 0.39 -4.55 0.00 0.00 1.84 0.00 0.00 41.12 38.80 1r3h n ASP 5220CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1r3h n GLY 5221N -1.66 0.96 2.95 0.44 0.00 -1.26 -5.09 105.19 101.53 1r3h n GLY 5221Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 1r3h n GLY 5221CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1r3h s GLU 5222N -0.68 1.70 0.26 1.61 -6.30 -1.21 -5.14 118.70 108.94 1r3h s GLU 5222Ca 0.00 -0.34 -0.04 0.00 -2.50 0.00 0.00 54.97 52.10 1r3h s GLU 5222Cb 0.00 -1.65 0.06 0.00 0.00 0.00 0.00 34.13 32.53 1r3h s GLU 5222CO 0.00 -0.21 0.13 0.39 0.02 0.00 0.00 175.26 175.59 1r3h n GLU 5223N 4.71 -0.87 -2.74 4.30 -0.58 -1.26 0.19 120.64 124.39 1r3h n GLU 5223Ca -0.15 -0.21 -0.04 0.00 -0.42 0.00 0.00 57.16 56.34 1r3h n GLU 5223Cb 0.50 -0.36 0.02 0.00 -0.57 0.00 0.00 31.44 31.03 1r3h n GLU 5223CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1r3h n LEU 5224N 0.00 -2.92 -0.11 -4.62 4.77 0.08 -4.19 117.00 110.01 1r3h n LEU 5224Ca 0.02 -2.46 -0.17 0.00 -0.03 0.00 0.00 56.01 53.38 1r3h n LEU 5224Cb 0.09 0.71 -0.10 0.00 -2.33 0.00 0.00 43.42 41.79 1r3h n LEU 5224CO 0.06 1.76 -1.23 0.35 -1.33 0.00 0.00 177.39 177.00 1r3h n THR 5225N 2.75 1.25 -0.28 -5.08 -2.24 -1.26 -3.26 114.28 106.16 1r3h n THR 5225Ca 0.16 -0.45 0.05 0.00 -2.27 0.00 0.00 64.05 61.53 1r3h n THR 5225Cb 0.59 -1.36 0.20 0.00 -2.10 0.00 0.00 70.33 67.66 1r3h n THR 5225CO 0.00 0.00 0.00 0.06 -0.57 0.00 0.00 175.07 174.56 1r3h h GLN 5226N -0.13 0.63 0.00 -0.78 3.07 -2.00 -2.68 115.11 113.22 1r3h h GLN 5226Ca -0.50 -0.04 -0.06 0.00 0.09 0.00 0.00 58.65 58.14 1r3h h GLN 5226Cb 1.72 -0.14 -0.01 0.00 0.08 0.00 0.00 27.48 29.12 1r3h h GLN 5226CO -0.12 0.42 -1.52 -3.47 0.09 0.00 0.00 178.83 174.22 1r3h n ASP 5227N -4.85 0.50 -4.60 0.06 4.64 -1.26 -4.94 116.55 106.10 1r3h n ASP 5227Ca 0.15 0.20 -0.51 0.00 -1.38 0.00 0.00 54.79 53.25 1r3h n ASP 5227Cb 0.37 0.97 -0.06 0.00 -1.04 0.00 0.00 41.12 41.36 1r3h n ASP 5227CO 0.00 0.00 0.00 0.55 -0.82 0.00 0.00 177.20 176.93 1r3h n VAL 5228N -2.58 0.37 -3.26 5.18 3.14 -1.01 -4.64 118.33 115.53 1r3h n VAL 5228Ca -0.06 -0.17 -0.39 0.00 -2.96 0.00 0.00 64.34 60.77 1r3h n VAL 5228Cb 0.65 -1.69 -0.06 0.00 -1.06 0.00 0.00 33.84 31.69 1r3h n VAL 5228CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1r3h s GLU 5229N 4.82 4.29 0.31 1.45 2.12 0.36 -4.91 118.70 127.15 1r3h s GLU 5229Ca 1.00 0.48 0.05 0.00 0.36 0.00 0.00 54.97 56.87 1r3h s GLU 5229Cb -0.82 -3.48 -0.02 0.00 0.26 0.00 0.00 34.13 30.07 1r3h s GLU 5229CO 0.53 0.03 0.19 1.97 -0.54 0.00 0.00 175.26 177.44 1r3h n PHE 5230N 4.11 -0.32 -3.81 5.30 1.16 -1.26 0.50 117.46 123.14 1r3h n PHE 5230Ca -0.05 -2.32 -0.13 0.00 -1.87 0.00 0.00 57.45 53.08 1r3h n PHE 5230Cb 0.51 0.13 -0.13 0.00 -1.61 0.00 0.00 39.48 38.39 1r3h n PHE 5230CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 1r3h s VAL 5231N -3.02 -0.01 0.60 1.97 -7.23 -1.20 -5.00 120.40 106.51 1r3h s VAL 5231Ca 0.27 0.02 -0.18 0.00 -1.81 0.00 0.00 61.98 60.28 1r3h s VAL 5231Cb 0.01 -0.22 -0.03 0.00 0.56 0.00 0.00 36.38 36.70 1r3h s VAL 5231CO 0.19 0.01 1.14 -1.61 -0.31 0.00 0.00 175.10 174.52 1r3h s GLU 5232N 0.20 3.06 0.41 4.82 0.41 -1.26 -4.65 118.70 121.68 1r3h s GLU 5232Ca -0.01 1.59 -0.27 0.00 -0.41 0.00 0.00 54.97 55.87 1r3h s GLU 5232Cb -0.02 -1.97 -0.10 0.00 -1.78 0.00 0.00 34.13 30.26 1r3h s GLU 5232CO -0.01 -1.08 1.46 0.25 -0.49 0.00 0.00 175.26 175.40 1r3h n THR 5233N -1.77 2.34 -4.63 3.63 -2.24 -1.26 -4.86 114.28 105.50 1r3h n THR 5233Ca 0.12 -0.50 -0.24 0.00 -2.27 0.00 0.00 64.05 61.16 1r3h n THR 5233Cb 0.51 -1.92 -0.16 0.00 -2.10 0.00 0.00 70.33 66.66 1r3h n THR 5233CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r3h s ARG 5234N -2.25 1.51 0.60 -0.78 1.70 -0.60 -4.93 118.95 114.19 1r3h s ARG 5234Ca 0.57 -0.46 -0.20 0.00 -0.47 0.00 0.00 55.73 55.17 1r3h s ARG 5234Cb -0.46 -1.31 -0.03 0.00 -0.57 0.00 0.00 34.95 32.57 1r3h s ARG 5234CO 0.61 0.14 1.30 -0.35 -1.08 0.00 0.00 175.30 175.92 1r3h n PRO 5235N 3.38 1.37 0.07 3.89 -0.04 -1.26 0.16 135.00 142.56 1r3h n PRO 5235Ca -0.19 0.52 0.10 0.00 -0.04 0.00 0.00 63.50 63.88 1r3h n PRO 5235Cb 0.53 -2.52 -0.04 0.00 -0.04 0.00 0.00 33.50 31.43 1r3h n PRO 5235CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1r3h n ALA 5236N -1.48 2.49 0.00 0.55 0.00 -0.31 -4.78 120.51 116.98 1r3h n ALA 5236Ca 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1r3h n ALA 5236Cb 0.46 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1r3h n ALA 5236CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r3h n GLY 5237N 1.23 2.64 0.00 0.00 0.00 -1.26 -4.92 105.19 102.88 1r3h n GLY 5237Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 1r3h n GLY 5237CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1r3h n ASP 5238N 0.00 1.34 0.00 1.61 5.68 -1.26 -4.96 116.55 118.96 1r3h n ASP 5238Ca 0.00 -0.27 0.00 0.00 -0.50 0.00 0.00 54.79 54.02 1r3h n ASP 5238Cb 0.00 1.45 0.00 0.00 -1.14 0.00 0.00 41.12 41.43 1r3h n ASP 5238CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1r3h n GLY 5239N 1.56 0.55 3.99 6.12 0.00 -1.26 -5.15 105.19 111.00 1r3h n GLY 5239Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 1r3h n GLY 5239CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r3h s THR 5240N 0.00 2.33 0.22 2.61 -4.23 -1.26 -4.82 115.64 110.49 1r3h s THR 5240Ca 0.00 -0.65 0.07 0.00 -1.18 0.00 0.00 61.69 59.93 1r3h s THR 5240Cb 0.00 -2.69 -0.05 0.00 1.34 0.00 0.00 72.50 71.11 1r3h s THR 5240CO 0.00 0.00 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.61 1r3h s PHE 5241N -2.97 1.70 0.16 3.99 0.40 -0.64 -1.16 117.98 119.47 1r3h s PHE 5241Ca 0.63 -0.65 0.03 0.00 -0.60 0.00 0.00 56.93 56.34 1r3h s PHE 5241Cb -0.07 -0.86 -0.05 0.00 0.51 0.00 0.00 43.02 42.55 1r3h s PHE 5241CO 0.42 0.28 -0.05 -0.65 0.70 0.00 0.00 175.22 175.91 1r3h s GLN 5242N -3.69 1.08 0.00 0.44 -0.21 0.12 -2.69 119.66 114.71 1r3h s GLN 5242Ca 0.24 -1.49 0.00 0.00 0.02 0.00 0.00 55.36 54.13 1r3h s GLN 5242Cb 0.01 -0.46 0.00 0.00 1.00 0.00 0.00 33.01 33.57 1r3h s GLN 5242CO 0.07 -0.02 0.00 1.17 -2.12 0.00 0.00 175.29 174.39 1r3h n LYS 5243N -0.22 0.00 -4.11 2.91 4.81 -1.17 -1.56 118.16 118.83 1r3h n LYS 5243Ca -0.09 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.25 1r3h n LYS 5243Cb 0.62 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.58 1r3h n LYS 5243CO 0.00 0.00 0.00 1.67 1.17 0.00 0.00 177.40 180.24 1r3h s TRP 5244N -2.00 0.81 -0.06 5.64 1.48 -1.26 -2.07 118.94 121.49 1r3h s TRP 5244Ca 0.00 -1.13 -0.05 0.00 -1.06 0.00 0.00 56.10 53.87 1r3h s TRP 5244Cb 0.00 -0.33 0.02 0.00 -1.16 0.00 0.00 33.47 32.00 1r3h s TRP 5244CO 0.00 -0.67 0.16 0.00 -4.06 0.00 0.00 176.95 172.37 1r3h s ALA 5245N -4.07 -0.36 0.07 2.67 0.00 -0.41 -3.25 121.76 116.40 1r3h s ALA 5245Ca 0.28 0.52 0.05 0.00 0.00 0.00 0.00 51.96 52.81 1r3h s ALA 5245Cb 0.05 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1r3h s ALA 5245CO 0.06 -0.10 -0.14 0.00 0.00 0.00 0.00 175.76 175.59 1r3h s ALA 5246N 0.40 1.12 -0.03 0.00 0.00 0.18 0.18 121.76 123.61 1r3h s ALA 5246Ca -0.03 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 50.98 1r3h s ALA 5246Cb -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1r3h s ALA 5246CO -0.02 0.15 -0.08 0.14 0.00 0.00 0.00 175.76 175.95 1r3h s VAL 5247N -1.28 0.74 -0.77 0.00 -7.23 -0.74 0.14 120.40 111.25 1r3h s VAL 5247Ca -0.03 -0.33 -0.24 0.00 -1.81 0.00 0.00 61.98 59.57 1r3h s VAL 5247Cb -0.10 -0.66 0.06 0.00 0.56 0.00 0.00 36.38 36.24 1r3h s VAL 5247CO 0.02 0.23 1.16 0.68 -0.31 0.00 0.00 175.10 176.88 1r3h s VAL 5248N 0.21 4.12 0.30 1.32 -7.23 -1.26 -2.84 120.40 115.03 1r3h s VAL 5248Ca -0.03 -0.34 -0.27 0.00 -1.81 0.00 0.00 61.98 59.53 1r3h s VAL 5248Cb -0.08 -4.83 -0.10 0.00 0.56 0.00 0.00 36.38 31.93 1r3h s VAL 5248CO 0.00 -1.66 0.95 -0.69 -0.31 0.00 0.00 175.10 173.39 1r3h s VAL 5249N 4.55 4.13 0.65 1.32 1.01 -1.07 -4.97 120.40 126.02 1r3h s VAL 5249Ca 0.31 1.86 -0.18 0.00 0.00 0.00 0.00 61.98 63.97 1r3h s VAL 5249Cb -0.10 -4.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 1r3h s VAL 5249CO 0.06 0.23 1.16 -2.65 0.00 0.00 0.00 175.10 173.91 1r3h n PRO 5250N 0.79 0.96 -2.29 2.72 -0.02 -1.26 -2.23 135.00 133.67 1r3h n PRO 5250Ca 0.01 0.38 -0.42 0.00 -2.02 0.00 0.00 63.50 61.45 1r3h n PRO 5250Cb 0.49 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 1r3h n PRO 5250CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1r3h s LEU 5251N -3.58 3.47 0.00 2.45 1.98 -1.26 -3.92 118.68 117.82 1r3h s LEU 5251Ca 0.80 0.63 0.00 0.00 -2.89 0.00 0.00 54.13 52.67 1r3h s LEU 5251Cb -0.39 -3.25 0.00 0.00 0.66 0.00 0.00 46.19 43.22 1r3h s LEU 5251CO 0.43 -1.67 0.00 0.61 -1.89 0.00 0.00 176.35 173.83 1r3h n GLY 5252N 5.26 3.05 3.35 7.98 0.00 -1.26 -4.99 105.19 118.59 1r3h n GLY 5252Ca 0.16 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 1r3h n GLY 5252CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r3h s LYS 5253N 0.00 3.34 0.00 1.61 -0.14 -1.25 -4.89 119.74 118.40 1r3h s LYS 5253Ca 0.00 -0.67 0.00 0.00 -1.36 0.00 0.00 55.97 53.94 1r3h s LYS 5253Cb 0.00 -3.20 0.00 0.00 -1.68 0.00 0.00 37.83 32.95 1r3h s LYS 5253CO 0.00 -0.28 0.43 1.55 -0.76 0.00 0.00 175.35 176.29 1r3h n VAL 5254N 4.84 0.00 0.18 3.17 3.14 -1.26 -4.46 118.33 123.95 1r3h n VAL 5254Ca -0.16 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.33 1r3h n VAL 5254Cb 0.50 0.72 0.07 0.00 -1.06 0.00 0.00 33.84 34.07 1r3h n VAL 5254CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 1r3h h GLN 5255N 0.00 0.00 0.00 1.45 1.08 -1.98 -3.28 115.11 112.38 1r3h h GLN 5255Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1r3h h GLN 5255Cb 1.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.46 1r3h h GLN 5255CO 0.00 0.00 0.00 0.66 -0.95 0.00 0.00 178.83 178.54 1r3h h SER 5256N 0.00 0.00 -3.12 1.46 4.64 -1.97 -3.44 113.55 111.13 1r3h h SER 5256Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 1r3h h SER 5256Cb 0.98 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.02 1r3h h SER 5256CO 0.00 0.00 -0.16 -0.31 -0.87 0.00 0.00 176.83 175.49 1r3h s TYR 5257N -3.64 3.70 0.06 4.77 1.51 -1.24 -1.75 117.35 120.77 1r3h s TYR 5257Ca 0.01 1.02 0.01 0.00 -1.01 0.00 0.00 57.07 57.10 1r3h s TYR 5257Cb 0.09 -2.32 -0.04 0.00 -0.11 0.00 0.00 41.96 39.59 1r3h s TYR 5257CO 0.47 0.58 -0.05 0.95 -1.11 0.00 0.00 175.55 176.39 1r3h s THR 5258N -1.21 0.45 -0.18 -0.71 -4.23 -1.15 -4.67 115.64 103.94 1r3h s THR 5258Ca 0.29 -1.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 1r3h s THR 5258Cb -0.16 -1.28 0.04 0.00 1.34 0.00 0.00 72.50 72.43 1r3h s THR 5258CO 0.16 -0.78 -0.10 0.00 -0.54 0.00 0.00 174.62 173.35 1r3h s HIS 5260N 1.46 3.78 -0.13 0.00 3.76 -1.02 -0.83 115.29 122.33 1r3h s HIS 5260Ca 0.01 1.26 -0.00 0.00 -0.15 0.00 0.00 55.06 56.17 1r3h s HIS 5260Cb -0.15 -2.49 0.02 0.00 1.11 0.00 0.00 32.58 31.07 1r3h s HIS 5260CO -0.09 0.56 -0.10 0.08 -0.85 0.00 0.00 174.74 174.34 1r3h s VAL 5261N -1.16 1.25 -0.03 -0.90 1.01 0.46 -3.34 120.40 117.68 1r3h s VAL 5261Ca 0.30 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.90 1r3h s VAL 5261Cb -0.19 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1r3h s VAL 5261CO 0.19 0.40 -0.18 -1.81 0.00 0.00 0.00 175.10 173.71 1r3h s ASP 5262N 1.57 2.18 0.17 3.32 1.01 -1.21 0.60 116.67 124.30 1r3h s ASP 5262Ca 0.04 -0.34 -0.19 0.00 0.71 0.00 0.00 52.55 52.76 1r3h s ASP 5262Cb -0.13 -0.39 0.04 0.00 1.01 0.00 0.00 42.92 43.46 1r3h s ASP 5262CO -0.09 0.20 0.53 -2.28 0.21 0.00 0.00 175.17 173.74 1r3h s HIS 5263N -0.25 -0.29 0.05 4.23 2.46 -1.26 -2.45 115.29 117.77 1r3h s HIS 5263Ca 0.03 -0.01 0.28 0.00 0.47 0.00 0.00 55.06 55.83 1r3h s HIS 5263Cb -0.09 0.43 1.01 0.00 -0.13 0.00 0.00 32.58 33.80 1r3h s HIS 5263CO 0.00 -0.85 1.85 1.05 -2.47 0.00 0.00 174.74 174.32 1r3h h GLU 5264N 2.16 0.00 -0.01 2.88 4.11 -1.93 -2.67 114.58 119.12 1r3h h GLU 5264Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.12 1r3h h GLU 5264Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1r3h h GLU 5264CO 0.39 0.12 -0.26 0.41 0.07 0.00 0.00 179.01 179.74 1r3h n GLY 5265N 0.25 -0.24 3.71 1.06 0.00 -1.26 -4.90 105.19 103.81 1r3h n GLY 5265Ca 0.01 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 1r3h n GLY 5265CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r3h s LEU 5266N -2.39 4.28 0.20 0.99 1.43 -1.01 -4.60 118.68 117.59 1r3h s LEU 5266Ca 0.25 0.98 -0.05 0.00 -1.03 0.00 0.00 54.13 54.28 1r3h s LEU 5266Cb 0.19 -2.89 0.15 0.00 0.03 0.00 0.00 46.19 43.67 1r3h s LEU 5266CO 0.49 -0.08 1.60 -0.65 0.23 0.00 0.00 176.35 177.94 1r3h h PRO 5267N 6.81 0.78 -3.19 1.29 0.11 -1.90 -3.44 132.00 132.46 1r3h h PRO 5267Ca -0.40 -0.34 -0.18 0.00 0.11 0.00 0.00 66.00 65.19 1r3h h PRO 5267Cb 1.18 -0.02 -0.27 0.00 0.11 0.00 0.00 31.00 32.00 1r3h h PRO 5267CO 0.76 0.96 -0.48 -2.00 -0.21 0.00 0.00 178.00 177.03 1r3h s GLU 5268N -4.53 0.23 0.37 1.05 2.56 -1.26 -5.14 118.70 111.98 1r3h s GLU 5268Ca -0.09 0.34 -0.23 0.00 0.00 0.00 0.00 54.97 54.99 1r3h s GLU 5268Cb 0.13 0.05 -0.14 0.00 2.00 0.00 0.00 34.13 36.17 1r3h s GLU 5268CO 0.84 -0.06 0.44 -2.30 -0.56 0.00 0.00 175.26 173.62 1r3h n PRO 5269N 3.29 0.36 -3.42 4.30 -0.02 -1.26 -4.94 135.00 133.31 1r3h n PRO 5269Ca -0.16 0.13 -0.38 0.00 -2.02 0.00 0.00 63.50 61.07 1r3h n PRO 5269Cb 0.57 -1.30 -0.07 0.00 -0.02 0.00 0.00 33.50 32.68 1r3h n PRO 5269CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1r3h s LEU 5270N 2.62 4.17 -0.35 2.45 2.96 0.20 -4.93 118.68 125.80 1r3h s LEU 5270Ca 0.62 0.51 0.03 0.00 -0.22 0.00 0.00 54.13 55.06 1r3h s LEU 5270Cb -0.68 -2.48 0.10 0.00 0.50 0.00 0.00 46.19 43.64 1r3h s LEU 5270CO 0.59 -0.04 0.08 -0.89 -1.32 0.00 0.00 176.35 174.78 1r3h s THR 5271N 1.13 1.90 -1.10 3.68 2.01 -1.26 0.17 115.64 122.18 1r3h s THR 5271Ca 0.18 -2.17 -0.11 0.00 0.31 0.00 0.00 61.69 59.91 1r3h s THR 5271Cb -0.14 -2.41 0.25 0.00 0.01 0.00 0.00 72.50 70.21 1r3h s THR 5271CO 0.07 -0.64 1.14 -0.76 -0.69 0.00 0.00 174.62 173.74 1r3h s LEU 5272N 1.00 6.12 0.00 4.42 1.02 -0.01 -4.91 118.68 126.32 1r3h s LEU 5272Ca 0.11 -3.37 0.26 0.00 0.02 0.00 0.00 54.13 51.15 1r3h s LEU 5272Cb -0.19 -2.25 1.54 0.00 0.02 0.00 0.00 46.19 45.31 1r3h s LEU 5272CO -0.12 -0.41 1.90 0.54 0.02 0.00 0.00 176.35 178.28