#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y1s n ASP 5005N 0.00 0.52 -4.56 -3.46 10.43 0.14 -4.93 116.55 114.69 1y1s n ASP 5005Ca 0.00 0.20 -0.26 0.00 2.57 0.00 0.00 54.79 57.30 1y1s n ASP 5005Cb 0.00 1.05 -0.10 0.00 1.84 0.00 0.00 41.12 43.91 1y1s n ASP 5005CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 1y1s s VAL 5006N -3.43 2.26 0.03 2.53 -7.23 -1.23 -5.06 120.40 108.27 1y1s s VAL 5006Ca -0.03 -2.17 0.10 0.00 -1.81 0.00 0.00 61.98 58.06 1y1s s VAL 5006Cb 0.11 -2.68 -0.19 0.00 0.56 0.00 0.00 36.38 34.18 1y1s s VAL 5006CO 0.84 -0.19 1.07 -0.26 -0.31 0.00 0.00 175.10 176.25 1y1s h PHE 5007N 1.99 0.00 0.00 2.82 0.04 -1.95 -3.40 116.94 116.44 1y1s h PHE 5007Ca -0.42 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.15 1y1s h PHE 5007Cb 1.25 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.37 1y1s h PHE 5007CO 0.76 0.93 -1.70 0.72 -0.60 0.00 0.00 178.31 178.42 1y1s n HIS 5008N -3.21 0.00 0.23 -0.55 8.25 -1.26 -4.74 115.22 113.94 1y1s n HIS 5008Ca -0.06 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.48 1y1s n HIS 5008Cb 0.95 -0.46 0.57 0.00 1.12 0.00 0.00 29.99 32.17 1y1s n HIS 5008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1y1s h LEU 5009N -0.19 0.00 -1.11 2.41 3.38 -1.92 -3.44 115.31 114.44 1y1s h LEU 5009Ca -0.29 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.50 1y1s h LEU 5009Cb 1.36 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.18 1y1s h LEU 5009CO -0.11 0.18 -0.33 0.61 0.09 0.00 0.00 178.44 178.89 1y1s n GLY 5010N -0.83 0.21 3.50 0.83 0.00 -1.26 -4.67 105.19 102.97 1y1s n GLY 5010Ca -0.02 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 1y1s n GLY 5010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y1s s LEU 5011N -3.98 2.43 0.17 0.99 1.43 -1.26 -4.15 118.68 114.31 1y1s s LEU 5011Ca 0.22 -1.35 0.06 0.00 -1.03 0.00 0.00 54.13 52.03 1y1s s LEU 5011Cb -0.10 -0.57 -0.04 0.00 0.03 0.00 0.00 46.19 45.50 1y1s s LEU 5011CO 0.34 -0.52 -0.12 0.42 0.23 0.00 0.00 176.35 176.70 1y1s s THR 5012N -3.08 1.42 0.43 5.49 -4.23 -1.26 0.25 115.64 114.66 1y1s s THR 5012Ca 0.35 -2.07 0.18 0.00 -1.18 0.00 0.00 61.69 58.97 1y1s s THR 5012Cb 0.08 -1.88 0.21 0.00 1.34 0.00 0.00 72.50 72.25 1y1s s THR 5012CO 0.16 -0.64 2.00 0.11 -0.54 0.00 0.00 174.62 175.71 1y1s h LYS 5013N 2.80 0.00 -0.65 3.99 1.57 -1.97 -2.06 116.57 120.25 1y1s h LYS 5013Ca -0.38 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.36 1y1s h LYS 5013Cb 1.20 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 1y1s h LYS 5013CO 0.61 0.18 0.24 -0.97 -0.57 0.00 0.00 179.45 178.94 1y1s h ASN 5014N 0.00 0.90 0.19 0.86 -0.00 -1.95 -1.89 115.58 113.68 1y1s h ASN 5014Ca -0.00 -0.14 -0.03 0.00 -0.00 0.00 0.00 56.30 56.13 1y1s h ASN 5014Cb 0.36 -0.23 -0.00 0.00 -0.00 0.00 0.00 38.32 38.45 1y1s h ASN 5014CO 0.02 0.82 -0.16 0.44 -0.00 0.00 0.00 177.43 178.55 1y1s h ASP 5015N 0.95 0.00 1.50 1.15 3.32 -1.77 -1.47 116.42 120.09 1y1s h ASP 5015Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1y1s h ASP 5015Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1y1s h ASP 5015CO -0.02 0.16 -0.28 -0.07 -1.72 0.00 0.00 179.24 177.32 1y1s h LEU 5016N 0.00 0.00 -3.27 1.55 4.07 -1.37 -3.48 115.31 112.81 1y1s h LEU 5016Ca -0.00 -0.03 -0.54 0.00 0.08 0.00 0.00 57.88 57.39 1y1s h LEU 5016Cb 0.30 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.96 1y1s h LEU 5016CO 0.02 0.02 -0.88 0.00 -1.08 0.00 0.00 178.44 176.52 1y1s n GLN 5017N -2.64 -0.52 -0.50 1.13 10.64 -0.56 -1.41 117.38 123.53 1y1s n GLN 5017Ca 0.04 0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.22 1y1s n GLN 5017Cb 0.49 -2.40 0.00 0.00 -0.86 0.00 0.00 30.24 27.48 1y1s n GLN 5017CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1y1s n GLY 5018N -2.12 1.16 3.72 2.61 0.00 -1.26 -4.79 105.19 104.51 1y1s n GLY 5018Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 1y1s n GLY 5018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y1s n ALA 5019N -0.15 1.27 0.00 4.61 0.00 -0.50 -4.87 120.51 120.87 1y1s n ALA 5019Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1y1s n ALA 5019Cb 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.14 1y1s n ALA 5019CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1y1s n GLN 5020N -1.22 3.23 -5.20 0.00 6.02 -1.26 -4.30 117.38 114.65 1y1s n GLN 5020Ca 0.12 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.80 1y1s n GLN 5020Cb 0.46 -0.48 -0.17 0.00 1.02 0.00 0.00 30.24 31.07 1y1s n GLN 5020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1y1s s LEU 5021N -1.13 2.06 -0.03 1.08 0.20 -1.26 0.91 118.68 120.51 1y1s s LEU 5021Ca 0.00 -0.52 0.04 0.00 0.69 0.00 0.00 54.13 54.34 1y1s s LEU 5021Cb 0.00 -1.35 -0.00 0.00 -0.43 0.00 0.00 46.19 44.41 1y1s s LEU 5021CO 0.00 0.19 -0.14 0.00 -0.29 0.00 0.00 176.35 176.11 1y1s s ALA 5022N 0.10 1.27 -0.02 5.97 0.00 -0.35 -2.16 121.76 126.58 1y1s s ALA 5022Ca -0.11 -0.59 -0.18 0.00 0.00 0.00 0.00 51.96 51.08 1y1s s ALA 5022Cb -0.16 -0.40 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 1y1s s ALA 5022CO 0.06 0.25 0.50 0.42 0.00 0.00 0.00 175.76 176.99 1y1s s ILE 5023N -0.06 4.99 -0.44 0.00 1.01 0.16 -1.51 121.20 125.35 1y1s s ILE 5023Ca -0.00 1.03 0.02 0.00 0.00 0.00 0.00 60.65 61.70 1y1s s ILE 5023Cb -0.09 -3.82 0.13 0.00 0.01 0.00 0.00 42.46 38.69 1y1s s ILE 5023CO 0.01 0.47 0.24 0.68 0.00 0.00 0.00 174.94 176.33 1y1s s VAL 5024N -0.42 1.48 0.71 2.92 -7.23 0.17 -1.64 120.40 116.39 1y1s s VAL 5024Ca 0.27 -2.58 -0.08 0.00 -1.81 0.00 0.00 61.98 57.78 1y1s s VAL 5024Cb -0.17 -2.04 0.06 0.00 0.56 0.00 0.00 36.38 34.79 1y1s s VAL 5024CO 0.14 -0.88 1.03 -2.16 -0.31 0.00 0.00 175.10 172.92 1y1s s PRO 5025N 0.33 2.24 -0.13 4.82 0.04 -1.22 -3.48 135.00 137.61 1y1s s PRO 5025Ca 0.17 -0.15 -0.09 0.00 0.04 0.00 0.00 61.00 60.97 1y1s s PRO 5025Cb -0.25 -2.14 -0.06 0.00 0.04 0.00 0.00 34.50 32.09 1y1s s PRO 5025CO 0.00 -1.25 0.06 0.78 0.04 0.00 0.00 177.00 176.64 1y1s h GLY 5026N -0.64 0.00 -5.33 0.56 0.00 -1.85 -1.77 103.07 94.04 1y1s h GLY 5026Ca -0.45 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.33 1y1s h GLY 5026CO 0.61 0.00 1.06 -0.35 0.00 0.00 0.00 176.54 177.86 1y1s s ASP 5027N -5.84 6.68 0.52 0.19 3.68 -1.26 -2.44 116.67 118.21 1y1s s ASP 5027Ca -0.10 2.07 0.28 0.00 2.13 0.00 0.00 52.55 56.92 1y1s s ASP 5027Cb 0.01 -2.53 1.41 0.00 -1.45 0.00 0.00 42.92 40.36 1y1s s ASP 5027CO 0.22 -0.93 1.92 -0.65 0.13 0.00 0.00 175.17 175.86 1y1s h PRO 5028N 9.43 0.05 0.00 4.34 0.11 -1.88 -1.99 132.00 142.06 1y1s h PRO 5028Ca -0.36 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1y1s h PRO 5028Cb 1.16 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1y1s h PRO 5028CO 0.96 0.03 0.00 0.93 -0.21 0.00 0.00 178.00 179.71 1y1s h GLU 5029N 0.05 0.00 -0.00 1.05 5.08 -1.97 -2.90 114.58 115.88 1y1s h GLU 5029Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1y1s h GLU 5029Cb 1.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1y1s h GLU 5029CO -0.02 0.00 -0.14 -2.13 -1.00 0.00 0.00 179.01 175.71 1y1s n ARG 5030N -3.01 0.26 0.20 2.33 0.63 -0.75 -4.09 116.66 112.24 1y1s n ARG 5030Ca 0.01 -0.07 -0.14 0.00 -0.92 0.00 0.00 57.85 56.73 1y1s n ARG 5030Cb 0.35 -1.50 -0.08 0.00 0.45 0.00 0.00 32.46 31.68 1y1s n ARG 5030CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1y1s h VAL 5031N 0.18 0.61 -0.93 5.15 2.07 -1.64 -1.32 116.25 120.37 1y1s h VAL 5031Ca 0.00 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.16 1y1s h VAL 5031Cb 0.43 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 1y1s h VAL 5031CO 0.00 0.07 0.61 -0.08 0.02 0.00 0.00 177.57 178.19 1y1s h GLU 5032N -0.74 1.16 -0.75 1.57 4.81 -1.78 -1.11 114.58 117.74 1y1s h GLU 5032Ca -0.05 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.08 1y1s h GLU 5032Cb 0.51 -0.26 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 1y1s h GLU 5032CO 0.09 0.77 0.37 0.87 -0.73 0.00 0.00 179.01 180.37 1y1s h LYS 5033N 1.19 1.07 -0.19 1.92 1.57 -1.68 0.26 116.57 120.70 1y1s h LYS 5033Ca 0.36 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.94 1y1s h LYS 5033Cb -0.03 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.08 1y1s h LYS 5033CO -0.10 0.82 -0.11 0.82 -0.57 0.00 0.00 179.45 180.30 1y1s h ILE 5034N 1.06 1.32 -0.49 1.86 2.04 -0.62 -3.06 117.51 119.63 1y1s h ILE 5034Ca 0.26 -1.19 -0.02 0.00 1.00 0.00 0.00 64.86 64.91 1y1s h ILE 5034Cb 0.10 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1y1s h ILE 5034CO -0.03 0.36 0.22 0.00 0.00 0.00 0.00 178.15 178.69 1y1s h ALA 5035N 0.68 1.47 -0.11 1.87 0.00 -0.79 -2.74 119.26 119.64 1y1s h ALA 5035Ca 0.04 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1y1s h ALA 5035Cb 0.61 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1y1s h ALA 5035CO 0.03 0.42 0.20 0.00 0.00 0.00 0.00 179.25 179.89 1y1s h ALA 5036N 1.56 1.54 -0.17 0.00 0.00 -0.39 0.24 119.26 122.03 1y1s h ALA 5036Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1y1s h ALA 5036Cb 0.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1y1s h ALA 5036CO -0.02 -0.25 0.00 1.28 0.00 0.00 0.00 179.25 180.26 1y1s n LEU 5037N -3.45 1.52 -4.67 0.00 4.77 -1.03 -4.90 117.00 109.23 1y1s n LEU 5037Ca -0.00 -0.65 -0.30 0.00 -0.03 0.00 0.00 56.01 55.03 1y1s n LEU 5037Cb 0.29 -0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 41.18 1y1s n LEU 5037CO 0.23 0.33 -0.28 -0.04 -1.33 0.00 0.00 177.39 176.30 1y1s s MET 5038N -1.78 2.05 0.50 3.23 -1.94 0.07 -5.11 119.30 116.32 1y1s s MET 5038Ca 0.31 -2.22 -0.18 0.00 -1.71 0.00 0.00 55.69 51.88 1y1s s MET 5038Cb 0.16 -1.60 -0.08 0.00 2.01 0.00 0.00 34.83 35.33 1y1s s MET 5038CO 0.24 -0.17 1.01 -0.51 -0.01 0.00 0.00 175.02 175.59 1y1s s ASP 5039N -3.77 6.43 -1.23 3.03 -0.00 -0.24 -4.18 116.67 116.72 1y1s s ASP 5039Ca 0.24 1.75 -0.06 0.00 -0.00 0.00 0.00 52.55 54.49 1y1s s ASP 5039Cb 0.07 -2.54 0.06 0.00 -0.00 0.00 0.00 42.92 40.51 1y1s s ASP 5039CO 0.12 -0.72 0.14 0.29 -0.00 0.00 0.00 175.17 175.01 1y1s n LYS 5040N -1.29 -0.90 -2.10 8.23 5.02 -1.26 0.23 118.16 126.09 1y1s n LYS 5040Ca 0.08 0.08 -0.37 0.00 -2.02 0.00 0.00 58.31 56.07 1y1s n LYS 5040Cb 0.53 -2.92 0.01 0.00 -0.02 0.00 0.00 35.03 32.63 1y1s n LYS 5040CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1y1s s PRO 5041N -6.04 3.56 -0.09 1.97 0.04 -1.26 -4.50 135.00 128.68 1y1s s PRO 5041Ca 0.20 1.93 -0.14 0.00 0.04 0.00 0.00 61.00 63.03 1y1s s PRO 5041Cb -0.12 -2.36 0.03 0.00 0.04 0.00 0.00 34.50 32.09 1y1s s PRO 5041CO 0.75 -0.76 0.36 0.54 0.04 0.00 0.00 177.00 177.93 1y1s s VAL 5042N -1.46 0.02 0.33 -0.36 0.11 0.77 -4.98 120.40 114.83 1y1s s VAL 5042Ca 0.66 -0.16 -0.28 0.00 -2.93 0.00 0.00 61.98 59.26 1y1s s VAL 5042Cb -0.33 -0.57 -0.10 0.00 -1.53 0.00 0.00 36.38 33.86 1y1s s VAL 5042CO 0.39 -0.09 1.25 -0.75 -3.33 0.00 0.00 175.10 172.57 1y1s s LYS 5043N -0.37 4.36 -0.04 1.54 2.47 -1.26 -1.21 119.74 125.23 1y1s s LYS 5043Ca -0.05 2.09 -0.07 0.00 -1.56 0.00 0.00 55.97 56.37 1y1s s LYS 5043Cb -0.03 -3.03 -0.02 0.00 -1.46 0.00 0.00 37.83 33.28 1y1s s LYS 5043CO 0.02 -0.14 -0.14 1.28 0.16 0.00 0.00 175.35 176.53 1y1s n LEU 5044N 0.76 1.21 -3.52 5.43 4.32 -0.46 -4.83 117.00 119.91 1y1s n LEU 5044Ca 0.00 0.19 -0.09 0.00 -0.02 0.00 0.00 56.01 56.09 1y1s n LEU 5044Cb 0.43 -0.48 -0.02 0.00 -1.62 0.00 0.00 43.42 41.73 1y1s n LEU 5044CO 0.57 -0.50 0.59 0.00 -1.22 0.00 0.00 177.39 176.82 1y1s s ALA 5045N -2.48 -1.70 -0.23 -1.18 0.00 -1.12 -5.00 121.76 110.04 1y1s s ALA 5045Ca -0.12 0.69 -0.03 0.00 0.00 0.00 0.00 51.96 52.50 1y1s s ALA 5045Cb 0.02 0.61 0.10 0.00 0.00 0.00 0.00 23.12 23.85 1y1s s ALA 5045CO 0.17 -0.77 0.21 0.45 0.00 0.00 0.00 175.76 175.82 1y1s s SER 5046N -2.64 1.84 -0.03 0.00 0.15 -1.26 -0.26 113.70 111.51 1y1s s SER 5046Ca 0.05 -0.51 0.01 0.00 0.70 0.00 0.00 55.95 56.20 1y1s s SER 5046Cb -0.01 0.23 0.02 0.00 -1.71 0.00 0.00 66.02 64.54 1y1s s SER 5046CO -0.08 -0.36 -0.04 -1.00 1.20 0.00 0.00 173.24 172.96 1y1s s HIS 5047N 2.28 0.63 0.00 3.44 3.76 -0.39 -4.99 115.29 120.02 1y1s s HIS 5047Ca 0.07 -0.15 0.00 0.00 -0.15 0.00 0.00 55.06 54.83 1y1s s HIS 5047Cb -0.15 -0.54 0.00 0.00 1.11 0.00 0.00 32.58 32.99 1y1s s HIS 5047CO -0.19 -0.13 0.00 0.54 -0.85 0.00 0.00 174.74 174.11 1y1s n ARG 5048N 3.77 0.00 -0.34 1.40 5.12 -1.26 0.08 116.66 125.43 1y1s n ARG 5048Ca -0.23 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.68 1y1s n ARG 5048Cb 0.52 0.00 0.11 0.00 -1.16 0.00 0.00 32.46 31.94 1y1s n ARG 5048CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1y1s n GLU 5049N 10.39 2.04 -3.65 5.56 0.00 -1.26 -4.71 120.64 129.01 1y1s n GLU 5049Ca 0.00 -1.04 -0.39 0.00 0.00 0.00 0.00 57.16 55.73 1y1s n GLU 5049Cb 0.00 -1.65 -0.09 0.00 0.00 0.00 0.00 31.44 29.70 1y1s n GLU 5049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1y1s s PHE 5050N -1.44 3.50 -0.28 -1.84 2.99 0.11 -3.83 117.98 117.19 1y1s s PHE 5050Ca 0.19 -2.33 -0.05 0.00 0.00 0.00 0.00 56.93 54.74 1y1s s PHE 5050Cb 0.15 -3.35 0.01 0.00 0.00 0.00 0.00 43.02 39.83 1y1s s PHE 5050CO 0.05 -0.94 0.03 0.99 -0.00 0.00 0.00 175.22 175.35 1y1s s THR 5051N 0.71 3.62 0.13 0.64 2.01 -1.26 -1.26 115.64 120.23 1y1s s THR 5051Ca 0.11 -0.77 0.06 0.00 0.31 0.00 0.00 61.69 61.40 1y1s s THR 5051Cb -0.22 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 1y1s s THR 5051CO -0.03 0.14 0.00 -0.94 -0.69 0.00 0.00 174.62 173.09 1y1s s SER 5052N 1.45 4.90 0.01 3.53 1.04 0.65 -2.28 113.70 123.00 1y1s s SER 5052Ca 0.02 -0.28 -0.10 0.00 0.48 0.00 0.00 55.95 56.07 1y1s s SER 5052Cb -0.17 -1.11 0.01 0.00 0.10 0.00 0.00 66.02 64.85 1y1s s SER 5052CO 0.00 0.13 0.21 0.26 0.98 0.00 0.00 173.24 174.83 1y1s s TRP 5053N -1.50 -0.02 0.07 5.02 0.52 -0.20 -1.35 118.94 121.47 1y1s s TRP 5053Ca 0.26 -0.06 0.08 0.00 0.02 0.00 0.00 56.10 56.40 1y1s s TRP 5053Cb -0.11 0.00 -0.03 0.00 -1.15 0.00 0.00 33.47 32.19 1y1s s TRP 5053CO 0.18 -0.37 -0.21 0.50 0.02 0.00 0.00 176.95 177.08 1y1s s ARG 5054N -1.78 1.27 0.10 4.98 3.52 -0.35 -0.89 118.95 125.81 1y1s s ARG 5054Ca -0.11 -1.04 -0.00 0.00 -0.13 0.00 0.00 55.73 54.45 1y1s s ARG 5054Cb -0.05 -1.45 0.00 0.00 -1.56 0.00 0.00 34.95 31.89 1y1s s ARG 5054CO 0.01 0.36 0.14 0.00 -0.81 0.00 0.00 175.30 174.99 1y1s n ALA 5055N 1.50 -0.06 -2.46 6.12 0.00 0.24 -0.16 120.51 125.68 1y1s n ALA 5055Ca -0.18 -0.50 -0.15 0.00 0.00 0.00 0.00 53.44 52.61 1y1s n ALA 5055Cb 0.53 0.40 -0.11 0.00 0.00 0.00 0.00 19.45 20.28 1y1s n ALA 5055CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1y1s s GLU 5056N -2.26 0.92 -0.22 0.00 2.12 0.14 -0.32 118.70 119.07 1y1s s GLU 5056Ca 0.09 -1.21 -0.09 0.00 0.36 0.00 0.00 54.97 54.12 1y1s s GLU 5056Cb -0.00 -0.65 0.09 0.00 0.26 0.00 0.00 34.13 33.83 1y1s s GLU 5056CO 0.07 0.11 0.49 -1.17 -0.54 0.00 0.00 175.26 174.21 1y1s s LEU 5057N -2.51 -0.64 -1.37 2.70 2.96 0.21 -1.08 118.68 118.95 1y1s s LEU 5057Ca 0.07 1.13 0.00 0.00 -0.22 0.00 0.00 54.13 55.11 1y1s s LEU 5057Cb -0.03 1.63 0.00 0.00 0.50 0.00 0.00 46.19 48.29 1y1s s LEU 5057CO 0.01 -0.22 0.00 0.47 -1.32 0.00 0.00 176.35 175.29 1y1s n ASP 5058N 5.04 -4.31 -1.06 3.68 10.43 -1.26 0.29 116.55 129.37 1y1s n ASP 5058Ca -0.14 0.21 -0.10 0.00 2.57 0.00 0.00 54.79 57.34 1y1s n ASP 5058Cb 0.52 -3.73 -0.01 0.00 1.84 0.00 0.00 41.12 39.74 1y1s n ASP 5058CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1y1s n GLY 5059N -0.67 0.14 3.13 0.44 0.00 -1.26 -5.01 105.19 101.95 1y1s n GLY 5059Ca -0.17 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 1y1s n GLY 5059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y1s s LYS 5060N -4.25 2.55 0.30 1.61 -0.14 0.15 -5.12 119.74 114.84 1y1s s LYS 5060Ca 0.00 -0.70 -0.29 0.00 -1.36 0.00 0.00 55.97 53.62 1y1s s LYS 5060Cb 0.00 -2.02 -0.10 0.00 -1.68 0.00 0.00 37.83 34.04 1y1s s LYS 5060CO 0.00 0.07 1.12 0.00 -0.76 0.00 0.00 175.35 175.78 1y1s s ALA 5061N 0.61 3.39 0.05 5.17 0.00 -1.26 -0.62 121.76 129.10 1y1s s ALA 5061Ca -0.14 0.93 0.06 0.00 0.00 0.00 0.00 51.96 52.80 1y1s s ALA 5061Cb -0.17 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 1y1s s ALA 5061CO 0.04 -0.22 -0.16 0.08 0.00 0.00 0.00 175.76 175.50 1y1s s VAL 5062N -1.19 1.28 0.01 0.00 1.01 0.56 -4.20 120.40 117.86 1y1s s VAL 5062Ca 0.46 -1.13 0.04 0.00 0.00 0.00 0.00 61.98 61.34 1y1s s VAL 5062Cb -0.32 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 1y1s s VAL 5062CO 0.42 0.00 -0.09 -0.63 0.00 0.00 0.00 175.10 174.80 1y1s s ILE 5063N -0.93 3.50 -0.17 2.22 -1.09 -0.92 -0.59 121.20 123.22 1y1s s ILE 5063Ca 0.03 -0.85 -0.01 0.00 -2.23 0.00 0.00 60.65 57.59 1y1s s ILE 5063Cb -0.09 -2.51 0.04 0.00 -1.58 0.00 0.00 42.46 38.32 1y1s s ILE 5063CO 0.02 0.38 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.38 1y1s s VAL 5064N -0.98 1.09 -0.02 2.92 1.01 -0.07 0.40 120.40 124.75 1y1s s VAL 5064Ca 0.17 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.52 1y1s s VAL 5064Cb -0.11 -1.29 -0.00 0.00 0.00 0.00 0.00 36.38 34.97 1y1s s VAL 5064CO 0.07 0.09 -0.10 0.00 0.00 0.00 0.00 175.10 175.16 1y1s s SER 5066N 0.01 6.89 -0.00 0.00 1.04 -0.96 -3.38 113.70 117.29 1y1s s SER 5066Ca -0.00 1.37 0.15 0.00 0.48 0.00 0.00 55.95 57.94 1y1s s SER 5066Cb -0.07 -2.41 -0.17 0.00 0.10 0.00 0.00 66.02 63.47 1y1s s SER 5066CO 0.00 -0.14 0.55 0.35 0.98 0.00 0.00 173.24 174.99 1y1s n THR 5067N -0.01 0.00 -0.10 2.02 -2.24 -0.66 -4.32 114.28 108.96 1y1s n THR 5067Ca 0.02 -0.20 0.01 0.00 -2.27 0.00 0.00 64.05 61.61 1y1s n THR 5067Cb 0.52 0.81 -0.00 0.00 -2.10 0.00 0.00 70.33 69.56 1y1s n THR 5067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y1s n GLY 5068N 1.41 -1.35 3.75 3.38 0.00 -1.02 -2.91 105.19 108.45 1y1s n GLY 5068Ca 0.02 -1.51 -0.40 0.00 0.00 0.00 0.00 46.02 44.13 1y1s n GLY 5068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y1s s ILE 5069N -1.14 4.64 0.00 -0.61 1.01 -1.26 -4.73 121.20 119.11 1y1s s ILE 5069Ca 0.00 1.66 0.00 0.00 0.00 0.00 0.00 60.65 62.31 1y1s s ILE 5069Cb 0.00 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.35 1y1s s ILE 5069CO 0.00 0.40 0.00 0.61 0.00 0.00 0.00 174.94 175.95 1y1s n GLY 5070N 2.20 -0.49 0.28 6.18 0.00 -1.24 -4.57 105.19 107.55 1y1s n GLY 5070Ca -0.03 -1.58 -0.01 0.00 0.00 0.00 0.00 46.02 44.40 1y1s n GLY 5070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1y1s h GLY 5071N 0.00 1.08 0.27 -0.02 0.00 -1.87 -2.59 103.07 99.93 1y1s h GLY 5071Ca 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 47.33 47.04 1y1s h GLY 5071CO 0.00 0.21 -0.42 -2.55 0.00 0.00 0.00 176.54 173.78 1y1s h PRO 5072N 0.80 -0.63 -0.41 4.80 0.11 -1.95 0.21 132.00 134.93 1y1s h PRO 5072Ca 0.32 0.04 0.06 0.00 0.11 0.00 0.00 66.00 66.53 1y1s h PRO 5072Cb 0.15 0.14 -0.05 0.00 0.11 0.00 0.00 31.00 31.34 1y1s h PRO 5072CO -0.16 -0.42 0.09 1.03 -0.21 0.00 0.00 178.00 178.33 1y1s h SER 5073N -0.65 0.02 -0.86 -2.05 0.87 -1.80 -2.72 113.55 106.37 1y1s h SER 5073Ca 0.02 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 1y1s h SER 5073Cb 0.68 0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.69 1y1s h SER 5073CO -0.25 0.05 0.50 0.74 -0.53 0.00 0.00 176.83 177.34 1y1s h THR 5074N 0.22 1.24 0.00 2.23 2.02 -1.09 -2.72 112.91 114.82 1y1s h THR 5074Ca 0.20 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 1y1s h THR 5074Cb 0.24 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.70 1y1s h THR 5074CO -0.26 0.26 -0.01 0.77 0.37 0.00 0.00 175.52 176.65 1y1s h SER 5075N 1.18 0.00 0.22 4.18 4.64 -0.28 -0.34 113.55 123.16 1y1s h SER 5075Ca 0.31 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.28 1y1s h SER 5075Cb -0.03 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.08 1y1s h SER 5075CO -0.06 0.01 -1.68 0.40 -0.87 0.00 0.00 176.83 174.64 1y1s h ILE 5076N 0.00 1.03 -0.09 0.95 2.04 -1.40 -2.99 117.51 117.06 1y1s h ILE 5076Ca -0.00 -2.57 -0.01 0.00 1.00 0.00 0.00 64.86 63.28 1y1s h ILE 5076Cb 0.24 2.84 -0.00 0.00 -0.74 0.00 0.00 36.82 39.16 1y1s h ILE 5076CO 0.00 0.85 0.01 0.00 0.00 0.00 0.00 178.15 179.01 1y1s h ALA 5077N 0.13 0.11 -0.50 1.87 0.00 -1.30 -2.32 119.26 117.26 1y1s h ALA 5077Ca -0.32 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1y1s h ALA 5077Cb 2.12 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.86 1y1s h ALA 5077CO 0.21 -0.23 0.20 0.28 0.00 0.00 0.00 179.25 179.71 1y1s h VAL 5078N -0.10 1.21 -0.03 0.00 2.07 -1.23 -0.38 116.25 117.79 1y1s h VAL 5078Ca 0.03 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 1y1s h VAL 5078Cb 0.30 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1y1s h VAL 5078CO 0.00 0.25 0.01 -0.08 0.02 0.00 0.00 177.57 177.77 1y1s h GLU 5079N 0.67 0.04 -0.04 1.57 4.57 -1.52 -1.17 114.58 118.70 1y1s h GLU 5079Ca 0.17 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.24 1y1s h GLU 5079Cb 0.19 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 1y1s h GLU 5079CO -0.01 0.15 -0.46 0.93 -1.18 0.00 0.00 179.01 178.43 1y1s h GLU 5080N -0.07 0.09 -0.59 1.92 5.08 -1.38 -0.14 114.58 119.49 1y1s h GLU 5080Ca 0.01 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 1y1s h GLU 5080Cb 0.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1y1s h GLU 5080CO -0.00 0.53 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.47 1y1s h LEU 5081N 0.07 1.02 -1.10 1.33 4.07 -0.97 -2.35 115.31 117.39 1y1s h LEU 5081Ca 0.00 -0.31 -0.09 0.00 0.08 0.00 0.00 57.88 57.57 1y1s h LEU 5081Cb 0.84 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 1y1s h LEU 5081CO 0.06 1.08 -0.41 0.00 -1.08 0.00 0.00 178.44 178.09 1y1s h ALA 5082N 0.98 1.16 0.00 1.53 0.00 -0.64 -1.24 119.26 121.05 1y1s h ALA 5082Ca 0.17 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1y1s h ALA 5082Cb 0.56 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1y1s h ALA 5082CO 0.03 0.52 -0.54 1.96 0.00 0.00 0.00 179.25 181.22 1y1s h GLN 5083N 0.00 0.00 -0.01 0.00 4.20 -0.53 -2.82 115.11 115.95 1y1s h GLN 5083Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1y1s h GLN 5083Cb 0.81 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.59 1y1s h GLN 5083CO 0.05 0.54 -0.11 1.28 -0.67 0.00 0.00 178.83 179.93 1y1s n LEU 5084N -3.89 0.77 0.00 1.46 4.77 -0.94 -4.93 117.00 114.24 1y1s n LEU 5084Ca -0.01 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1y1s n LEU 5084Cb 0.55 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1y1s n LEU 5084CO 0.41 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1y1s n GLY 5085N 1.24 1.00 3.71 -0.72 0.00 -1.03 -4.79 105.19 104.59 1y1s n GLY 5085Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1y1s n GLY 5085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y1s s ILE 5086N -2.00 3.98 -0.06 -0.61 -1.09 -0.51 -4.47 121.20 116.44 1y1s s ILE 5086Ca 0.00 1.41 0.07 0.00 -2.23 0.00 0.00 60.65 59.90 1y1s s ILE 5086Cb 0.00 -3.91 -0.09 0.00 -1.58 0.00 0.00 42.46 36.88 1y1s s ILE 5086CO 0.00 0.10 0.05 0.54 -1.23 0.00 0.00 174.94 174.40 1y1s n ARG 5087N 4.04 2.43 -4.90 2.79 5.12 0.26 -4.19 116.66 122.22 1y1s n ARG 5087Ca 0.09 -0.01 -0.33 0.00 -1.93 0.00 0.00 57.85 55.67 1y1s n ARG 5087Cb 0.46 -1.19 -0.15 0.00 -1.16 0.00 0.00 32.46 30.42 1y1s n ARG 5087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1y1s s THR 5088N -2.23 2.80 -0.10 0.55 2.01 -0.65 0.18 115.64 118.19 1y1s s THR 5088Ca -0.03 -0.76 0.02 0.00 0.31 0.00 0.00 61.69 61.23 1y1s s THR 5088Cb 0.03 -2.15 0.01 0.00 0.01 0.00 0.00 72.50 70.40 1y1s s THR 5088CO 0.30 0.54 -0.17 -0.36 -0.69 0.00 0.00 174.62 174.24 1y1s s PHE 5089N 0.26 2.07 -0.22 4.92 0.40 0.45 -1.21 117.98 124.65 1y1s s PHE 5089Ca -0.11 -0.94 0.01 0.00 -0.60 0.00 0.00 56.93 55.29 1y1s s PHE 5089Cb -0.16 -1.46 0.04 0.00 0.51 0.00 0.00 43.02 41.94 1y1s s PHE 5089CO 0.06 -0.45 -0.15 -0.51 0.70 0.00 0.00 175.22 174.87 1y1s s LEU 5090N 0.82 2.77 -0.08 -0.37 1.43 -0.57 -0.52 118.68 122.16 1y1s s LEU 5090Ca -0.10 -0.95 -0.14 0.00 -1.03 0.00 0.00 54.13 51.91 1y1s s LEU 5090Cb -0.16 -1.53 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 1y1s s LEU 5090CO 0.01 -0.09 0.34 -0.60 0.23 0.00 0.00 176.35 176.24 1y1s s ARG 5091N 1.23 4.02 -0.10 1.70 3.52 -0.53 0.42 118.95 129.21 1y1s s ARG 5091Ca -0.01 0.24 0.02 0.00 -0.13 0.00 0.00 55.73 55.86 1y1s s ARG 5091Cb -0.16 -3.31 0.01 0.00 -1.56 0.00 0.00 34.95 29.93 1y1s s ARG 5091CO -0.09 0.49 -0.16 -1.50 -0.81 0.00 0.00 175.30 173.23 1y1s s ILE 5092N -0.34 1.53 0.38 4.11 -1.16 -1.23 -1.56 121.20 122.92 1y1s s ILE 5092Ca 0.21 -0.67 -0.09 0.00 -0.51 0.00 0.00 60.65 59.59 1y1s s ILE 5092Cb -0.15 -1.38 0.03 0.00 0.61 0.00 0.00 42.46 41.58 1y1s s ILE 5092CO 0.09 0.45 0.65 -0.83 -2.81 0.00 0.00 174.94 172.48 1y1s s GLY 5093N 0.86 0.99 0.35 1.50 0.00 -0.79 -4.08 107.32 106.13 1y1s s GLY 5093Ca -0.09 -1.17 -0.00 0.00 0.00 0.00 0.00 44.72 43.45 1y1s s GLY 5093CO 0.00 -0.67 0.55 -0.51 0.00 0.00 0.00 173.10 172.48 1y1s s THR 5094N -2.51 5.09 0.04 0.90 -4.23 -1.26 -1.69 115.64 111.98 1y1s s THR 5094Ca 0.23 -0.40 -0.27 0.00 -1.18 0.00 0.00 61.69 60.07 1y1s s THR 5094Cb -0.03 -3.85 0.09 0.00 1.34 0.00 0.00 72.50 70.05 1y1s s THR 5094CO 0.17 -0.55 0.84 0.28 -0.54 0.00 0.00 174.62 174.82 1y1s s THR 5095N -2.31 0.00 -0.24 3.99 -1.32 -0.37 -4.80 115.64 110.59 1y1s s THR 5095Ca 0.40 -0.06 -0.02 0.00 -1.21 0.00 0.00 61.69 60.81 1y1s s THR 5095Cb -0.10 -1.08 0.02 0.00 -1.51 0.00 0.00 72.50 69.84 1y1s s THR 5095CO 0.36 0.00 -0.07 -0.83 -2.21 0.00 0.00 174.62 171.87 1y1s s GLY 5096N -2.57 1.61 0.43 6.08 0.00 -1.21 -0.51 107.32 111.16 1y1s s GLY 5096Ca 0.05 -1.42 -0.23 0.00 0.00 0.00 0.00 44.72 43.11 1y1s s GLY 5096CO -0.09 0.50 1.12 0.00 0.00 0.00 0.00 173.10 174.63 1y1s s ALA 5097N 1.34 3.02 -0.93 3.20 0.00 -0.58 -2.19 121.76 125.61 1y1s s ALA 5097Ca 0.01 0.84 0.08 0.00 0.00 0.00 0.00 51.96 52.89 1y1s s ALA 5097Cb -0.16 -3.34 0.07 0.00 0.00 0.00 0.00 23.12 19.69 1y1s s ALA 5097CO -0.05 -0.48 0.76 0.44 0.00 0.00 0.00 175.76 176.43 1y1s n ILE 5098N -0.31 0.04 -3.57 0.00 -5.35 -0.30 -2.26 119.36 107.61 1y1s n ILE 5098Ca 0.06 -0.52 -0.37 0.00 -0.27 0.00 0.00 62.75 61.65 1y1s n ILE 5098Cb 0.49 1.13 -0.07 0.00 -1.74 0.00 0.00 39.64 39.45 1y1s n ILE 5098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1y1s s GLN 5099N -0.65 4.10 0.61 6.28 -1.52 -1.24 -4.86 119.66 122.38 1y1s s GLN 5099Ca 0.09 0.13 0.38 0.00 -1.95 0.00 0.00 55.36 54.01 1y1s s GLN 5099Cb 0.06 -3.36 1.95 0.00 -0.22 0.00 0.00 33.01 31.44 1y1s s GLN 5099CO 0.10 0.38 2.22 -1.00 -0.25 0.00 0.00 175.29 176.73 1y1s h PRO 5100N 6.13 0.00 0.00 2.91 0.13 -1.96 -2.13 132.00 137.08 1y1s h PRO 5100Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1y1s h PRO 5100Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1y1s h PRO 5100CO 0.71 0.02 -0.64 -2.39 -0.23 0.00 0.00 178.00 175.48 1y1s n HIS 5101N -3.27 0.00 -3.32 1.56 1.44 -1.26 -4.77 115.22 105.61 1y1s n HIS 5101Ca -0.02 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.27 1y1s n HIS 5101Cb 0.16 -0.19 -0.09 0.00 0.12 0.00 0.00 29.99 29.99 1y1s n HIS 5101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1y1s s ILE 5102N -3.00 5.08 0.35 0.61 1.01 -0.80 -5.06 121.20 119.39 1y1s s ILE 5102Ca 0.10 -0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.71 1y1s s ILE 5102Cb 0.17 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 1y1s s ILE 5102CO 0.75 -0.30 0.52 0.20 0.00 0.00 0.00 174.94 176.10 1y1s s ASN 5103N 1.79 6.01 0.27 3.58 0.01 -1.26 -4.74 114.94 120.60 1y1s s ASN 5103Ca 0.14 0.04 -0.30 0.00 -0.71 0.00 0.00 52.86 52.02 1y1s s ASN 5103Cb -0.16 -1.48 -0.11 0.00 0.41 0.00 0.00 41.25 39.91 1y1s s ASN 5103CO 0.13 -0.44 1.59 -0.69 -1.51 0.00 0.00 177.10 176.18 1y1s s VAL 5104N -2.26 2.15 0.00 1.60 1.01 -1.26 -1.75 120.40 119.88 1y1s s VAL 5104Ca 0.44 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1y1s s VAL 5104Cb -0.10 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1y1s s VAL 5104CO 0.33 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1y1s n GLY 5105N 2.47 3.31 3.71 4.51 0.00 0.21 -4.96 105.19 114.44 1y1s n GLY 5105Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1y1s n GLY 5105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1y1s s ASP 5106N -0.37 3.74 -0.21 1.61 1.11 -0.72 -4.63 116.67 117.20 1y1s s ASP 5106Ca 0.00 2.17 -0.04 0.00 0.18 0.00 0.00 52.55 54.86 1y1s s ASP 5106Cb 0.00 -2.56 -0.01 0.00 1.07 0.00 0.00 42.92 41.41 1y1s s ASP 5106CO 0.00 -2.56 -0.05 -0.69 1.18 0.00 0.00 175.17 173.06 1y1s s VAL 5107N -2.47 3.41 -0.23 -1.27 1.01 0.05 -1.93 120.40 118.98 1y1s s VAL 5107Ca 0.68 -0.49 -0.08 0.00 0.00 0.00 0.00 61.98 62.09 1y1s s VAL 5107Cb -0.24 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1y1s s VAL 5107CO 0.53 0.43 0.10 -0.76 0.00 0.00 0.00 175.10 175.40 1y1s s LEU 5108N 1.31 3.77 -0.19 3.92 1.02 -0.44 -1.20 118.68 126.87 1y1s s LEU 5108Ca 0.04 -0.03 -0.05 0.00 0.02 0.00 0.00 54.13 54.11 1y1s s LEU 5108Cb -0.14 -2.00 -0.03 0.00 0.02 0.00 0.00 46.19 44.04 1y1s s LEU 5108CO -0.02 0.05 0.00 -0.69 0.02 0.00 0.00 176.35 175.71 1y1s s VAL 5109N 1.12 4.04 -0.25 -1.59 1.01 0.63 -1.30 120.40 124.05 1y1s s VAL 5109Ca 0.05 -0.29 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 1y1s s VAL 5109Cb -0.14 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 1y1s s VAL 5109CO 0.04 0.44 0.45 -0.89 0.00 0.00 0.00 175.10 175.14 1y1s s THR 5110N 0.83 5.12 -0.03 3.92 2.01 -0.35 -1.70 115.64 125.45 1y1s s THR 5110Ca 0.01 0.76 -0.10 0.00 0.31 0.00 0.00 61.69 62.66 1y1s s THR 5110Cb -0.14 -3.77 -0.31 0.00 0.01 0.00 0.00 72.50 68.29 1y1s s THR 5110CO 0.02 0.14 0.73 0.71 -0.69 0.00 0.00 174.62 175.52 1y1s h THR 5111N 5.33 1.00 -2.27 -0.82 1.35 -1.08 -3.40 112.91 113.03 1y1s h THR 5111Ca -0.31 -2.57 0.02 0.00 -0.55 0.00 0.00 66.41 62.99 1y1s h THR 5111Cb 1.15 2.79 -0.17 0.00 -1.73 0.00 0.00 68.15 70.19 1y1s h THR 5111CO 0.69 0.85 0.33 0.00 -0.25 0.00 0.00 175.52 177.14 1y1s s ALA 5112N -2.59 -1.76 0.17 6.62 0.00 -1.25 -0.53 121.76 122.42 1y1s s ALA 5112Ca -0.14 1.06 0.10 0.00 0.00 0.00 0.00 51.96 52.98 1y1s s ALA 5112Cb 0.05 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 1y1s s ALA 5112CO 0.86 -0.55 -0.18 -1.12 0.00 0.00 0.00 175.76 174.77 1y1s s SER 5113N -1.92 3.78 -0.08 0.00 0.01 -0.09 -2.34 113.70 113.07 1y1s s SER 5113Ca -0.02 -0.69 -0.30 0.00 1.31 0.00 0.00 55.95 56.25 1y1s s SER 5113Cb -0.01 -0.46 -0.02 0.00 0.21 0.00 0.00 66.02 65.74 1y1s s SER 5113CO -0.02 0.13 1.11 -0.69 0.41 0.00 0.00 173.24 174.18 1y1s s VAL 5114N -1.50 4.51 -1.24 3.43 1.01 0.20 -4.45 120.40 122.35 1y1s s VAL 5114Ca 0.21 1.80 -0.18 0.00 0.00 0.00 0.00 61.98 63.81 1y1s s VAL 5114Cb -0.09 -4.16 0.08 0.00 0.00 0.00 0.00 36.38 32.21 1y1s s VAL 5114CO 0.11 0.00 1.65 -0.13 0.00 0.00 0.00 175.10 176.74 1y1s s ARG 5115N 2.09 3.94 -0.58 2.72 0.52 -1.26 -1.61 118.95 124.76 1y1s s ARG 5115Ca 0.52 -1.94 0.00 0.00 -0.52 0.00 0.00 55.73 53.80 1y1s s ARG 5115Cb -0.22 -5.45 0.48 0.00 0.52 0.00 0.00 34.95 30.28 1y1s s ARG 5115CO 0.20 -2.19 1.91 1.28 0.02 0.00 0.00 175.30 176.52 1y1s n LEU 5116N 8.14 7.15 0.00 2.53 4.32 -0.42 -4.93 117.00 133.78 1y1s n LEU 5116Ca 0.45 -4.24 -0.05 0.00 -0.02 0.00 0.00 56.01 52.15 1y1s n LEU 5116Cb 0.46 -0.88 -0.01 0.00 -1.62 0.00 0.00 43.42 41.38 1y1s n LEU 5116CO 0.73 1.48 -0.03 -0.90 -1.22 0.00 0.00 177.39 177.45 1y1s n ASP 5117N -0.93 1.56 0.00 -1.43 3.85 -1.21 -1.29 116.55 117.08 1y1s n ASP 5117Ca 0.59 -1.39 0.00 0.00 -0.71 0.00 0.00 54.79 53.29 1y1s n ASP 5117Cb 0.84 0.13 0.00 0.00 -1.35 0.00 0.00 41.12 40.74 1y1s n ASP 5117CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1y1s n GLY 5118N 2.76 0.00 0.37 6.12 0.00 -1.26 -4.80 105.19 108.38 1y1s n GLY 5118Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 1y1s n GLY 5118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y1s h ALA 5119N 0.00 1.32 -0.53 4.61 0.00 -1.99 -2.30 119.26 120.36 1y1s h ALA 5119Ca 0.00 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1y1s h ALA 5119Cb 0.74 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1y1s h ALA 5119CO 0.00 0.63 0.36 0.66 0.00 0.00 0.00 179.25 180.90 1y1s h SER 5120N 1.27 0.39 0.20 0.00 4.64 -1.86 0.23 113.55 118.42 1y1s h SER 5120Ca 0.34 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.64 1y1s h SER 5120Cb -0.13 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 61.87 1y1s h SER 5120CO -0.07 0.25 -0.11 -0.07 -0.87 0.00 0.00 176.83 175.96 1y1s h LEU 5121N 0.44 0.00 0.00 5.97 3.38 -1.51 0.13 115.31 123.72 1y1s h LEU 5121Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1y1s h LEU 5121Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1y1s h LEU 5121CO -0.06 0.11 0.00 1.41 0.09 0.00 0.00 178.44 179.99 1y1s n HIS 5122N -3.99 0.00 0.00 1.13 8.25 0.82 -3.07 115.22 118.35 1y1s n HIS 5122Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1y1s n HIS 5122Cb 0.20 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1y1s n HIS 5122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1y1s n PHE 5123N -1.02 0.00 -3.56 4.41 3.01 0.32 -5.10 117.46 115.52 1y1s n PHE 5123Ca 0.13 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.46 1y1s n PHE 5123Cb 0.07 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.48 1y1s n PHE 5123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1y1s s ALA 5124N -1.73 -1.88 0.65 4.37 0.00 -0.39 -4.99 121.76 117.78 1y1s s ALA 5124Ca 0.00 1.51 -0.17 0.00 0.00 0.00 0.00 51.96 53.30 1y1s s ALA 5124Cb 0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 23.12 22.62 1y1s s ALA 5124CO 0.00 -0.33 1.20 -1.25 0.00 0.00 0.00 175.76 175.38 1y1s s PRO 5125N -1.12 2.65 0.36 0.00 0.04 -1.26 -3.82 135.00 131.84 1y1s s PRO 5125Ca -0.05 1.76 0.17 0.00 0.04 0.00 0.00 61.00 62.93 1y1s s PRO 5125Cb -0.00 -1.90 1.15 0.00 0.04 0.00 0.00 34.50 33.79 1y1s s PRO 5125CO 0.04 -1.44 1.67 1.98 0.04 0.00 0.00 177.00 179.29 1y1s h MET 5126N 0.36 0.28 -0.27 4.56 4.05 -1.94 0.56 114.93 122.53 1y1s h MET 5126Ca -0.49 -0.02 0.08 0.00 -0.28 0.00 0.00 59.70 58.99 1y1s h MET 5126Cb 1.29 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 32.02 1y1s h MET 5126CO 0.53 0.19 0.34 0.93 0.23 0.00 0.00 176.91 179.12 1y1s h GLU 5127N 0.29 0.00 -6.58 0.39 3.07 -2.04 -3.41 114.58 106.30 1y1s h GLU 5127Ca 0.73 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 59.07 1y1s h GLU 5127Cb 1.80 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.72 1y1s h GLU 5127CO -0.55 0.00 0.52 0.12 -1.40 0.00 0.00 179.01 177.70 1y1s s PHE 5128N -4.55 3.51 0.03 4.33 2.19 0.19 -5.00 117.98 118.67 1y1s s PHE 5128Ca -0.04 1.46 -0.30 0.00 0.33 0.00 0.00 56.93 58.37 1y1s s PHE 5128Cb 0.15 -3.35 -0.04 0.00 -1.31 0.00 0.00 43.02 38.46 1y1s s PHE 5128CO 0.51 -0.94 1.04 -1.25 1.83 0.00 0.00 175.22 176.41 1y1s s PRO 5129N 0.28 4.54 -1.38 10.12 0.04 -1.26 -4.93 135.00 142.40 1y1s s PRO 5129Ca 0.54 1.52 -0.15 0.00 0.04 0.00 0.00 61.00 62.95 1y1s s PRO 5129Cb -0.30 -3.42 0.06 0.00 0.04 0.00 0.00 34.50 30.89 1y1s s PRO 5129CO 0.33 -0.08 2.01 0.00 0.04 0.00 0.00 177.00 179.30 1y1s n ALA 5130N 3.77 4.81 -2.84 8.56 0.00 -1.26 -4.74 120.51 128.81 1y1s n ALA 5130Ca 0.06 -3.92 -0.30 0.00 0.00 0.00 0.00 53.44 49.29 1y1s n ALA 5130Cb 0.49 -3.50 -0.05 0.00 0.00 0.00 0.00 19.45 16.39 1y1s n ALA 5130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1y1s s VAL 5131N 3.28 4.89 0.31 0.00 0.11 -1.26 -0.92 120.40 126.81 1y1s s VAL 5131Ca 0.49 -0.64 -0.12 0.00 -2.93 0.00 0.00 61.98 58.78 1y1s s VAL 5131Cb 0.10 -3.39 -0.08 0.00 -1.53 0.00 0.00 36.38 31.48 1y1s s VAL 5131CO -0.02 0.11 0.68 0.00 -3.33 0.00 0.00 175.10 172.53 1y1s s ALA 5132N -1.47 3.41 0.47 1.54 0.00 0.32 -4.67 121.76 121.36 1y1s s ALA 5132Ca 0.32 -0.12 -0.24 0.00 0.00 0.00 0.00 51.96 51.92 1y1s s ALA 5132Cb -0.12 -2.63 -0.07 0.00 0.00 0.00 0.00 23.12 20.29 1y1s s ALA 5132CO 0.25 0.32 1.28 0.34 0.00 0.00 0.00 175.76 177.95 1y1s s ASP 5133N -2.50 5.91 0.18 0.00 -1.08 0.25 -4.91 116.67 114.52 1y1s s ASP 5133Ca 0.51 2.59 -0.10 0.00 -0.52 0.00 0.00 52.55 55.04 1y1s s ASP 5133Cb -0.11 -2.63 0.06 0.00 -1.46 0.00 0.00 42.92 38.79 1y1s s ASP 5133CO 0.22 -1.12 1.64 0.15 0.52 0.00 0.00 175.17 176.57 1y1s h PHE 5134N 2.06 1.15 -0.25 -5.34 3.57 -1.96 -1.88 116.94 114.29 1y1s h PHE 5134Ca -0.50 -0.20 -0.01 0.00 3.53 0.00 0.00 57.97 60.80 1y1s h PHE 5134Cb 1.26 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 1y1s h PHE 5134CO 0.51 1.01 0.12 0.00 -2.23 0.00 0.00 178.31 177.72 1y1s h ALA 5135N 0.99 0.32 0.08 2.41 0.00 -1.96 -0.99 119.26 120.11 1y1s h ALA 5135Ca 0.17 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1y1s h ALA 5135Cb 0.55 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1y1s h ALA 5135CO 0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 179.25 179.12 1y1s h THR 5137N -0.14 0.94 -0.08 0.00 2.02 -1.26 0.78 112.91 115.18 1y1s h THR 5137Ca -0.01 -0.18 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 1y1s h THR 5137Cb 0.11 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1y1s h THR 5137CO 0.02 0.10 -0.17 0.74 0.37 0.00 0.00 175.52 176.58 1y1s h THR 5138N 0.53 1.41 -0.76 3.16 2.02 -0.67 -1.22 112.91 117.39 1y1s h THR 5138Ca 0.29 -1.49 0.03 0.00 0.77 0.00 0.00 66.41 66.01 1y1s h THR 5138Cb 0.43 2.20 -0.05 0.00 -1.74 0.00 0.00 68.15 69.00 1y1s h THR 5138CO -0.09 0.42 0.49 0.00 0.37 0.00 0.00 175.52 176.71 1y1s h ALA 5139N 0.48 1.00 -0.37 6.16 0.00 -0.32 0.35 119.26 126.55 1y1s h ALA 5139Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1y1s h ALA 5139Cb 0.76 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1y1s h ALA 5139CO 0.04 0.30 0.02 -0.07 0.00 0.00 0.00 179.25 179.54 1y1s h LEU 5140N 0.95 0.63 -0.42 0.00 3.38 -0.86 0.67 115.31 119.66 1y1s h LEU 5140Ca 0.30 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1y1s h LEU 5140Cb -0.00 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1y1s h LEU 5140CO -0.11 0.76 -0.10 0.58 0.09 0.00 0.00 178.44 179.67 1y1s h VAL 5141N 0.47 1.27 0.73 1.22 2.07 -0.92 -1.82 116.25 119.28 1y1s h VAL 5141Ca 0.11 -1.20 -0.04 0.00 0.82 0.00 0.00 66.70 66.40 1y1s h VAL 5141Cb 0.43 1.19 0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1y1s h VAL 5141CO 0.01 0.40 -0.35 -0.08 0.02 0.00 0.00 177.57 177.58 1y1s h GLU 5142N 0.63 -0.95 -0.84 1.57 4.57 -0.16 -2.10 114.58 117.29 1y1s h GLU 5142Ca 0.11 0.06 0.18 0.00 -1.18 0.00 0.00 59.36 58.53 1y1s h GLU 5142Cb 0.63 0.22 -0.06 0.00 -0.16 0.00 0.00 28.75 29.37 1y1s h GLU 5142CO 0.04 -0.61 0.56 0.00 -1.18 0.00 0.00 179.01 177.82 1y1s h ALA 5143N -0.95 2.20 -0.26 2.92 0.00 0.32 -0.53 119.26 122.95 1y1s h ALA 5143Ca -0.10 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1y1s h ALA 5143Cb 0.78 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1y1s h ALA 5143CO 0.17 -0.45 -0.40 0.00 0.00 0.00 0.00 179.25 178.57 1y1s h ALA 5144N 1.62 0.82 -0.02 0.00 0.00 -1.10 -2.99 119.26 117.59 1y1s h ALA 5144Ca 0.43 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1y1s h ALA 5144Cb 1.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1y1s h ALA 5144CO -0.15 0.65 -0.62 1.57 0.00 0.00 0.00 179.25 180.70 1y1s h LYS 5145N 0.51 0.09 -0.27 0.00 2.10 -0.42 -2.64 116.57 115.93 1y1s h LYS 5145Ca 0.04 -0.06 -0.06 0.00 -2.00 0.00 0.00 60.65 58.57 1y1s h LYS 5145Cb 0.91 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.23 1y1s h LYS 5145CO 0.08 0.68 -0.09 0.77 -2.00 0.00 0.00 179.45 178.89 1y1s h SER 5146N 0.06 0.42 -0.57 7.07 0.02 -1.26 -2.50 113.55 116.80 1y1s h SER 5146Ca -0.01 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1y1s h SER 5146Cb 1.11 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1y1s h SER 5146CO 0.09 0.55 0.00 2.30 -1.14 0.00 0.00 176.83 178.63 1y1s n ILE 5147N -4.24 1.89 -1.49 3.27 -5.35 -1.19 -4.98 119.36 107.27 1y1s n ILE 5147Ca 0.01 -1.28 -0.15 0.00 -0.27 0.00 0.00 62.75 61.05 1y1s n ILE 5147Cb 0.29 0.09 -0.06 0.00 -1.74 0.00 0.00 39.64 38.21 1y1s n ILE 5147CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1y1s n GLY 5148N 0.83 1.47 3.75 3.28 0.00 -0.94 -5.02 105.19 108.55 1y1s n GLY 5148Ca 0.24 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 1y1s n GLY 5148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y1s s ALA 5149N -2.58 2.14 -0.48 4.61 0.00 -1.00 -4.96 121.76 119.49 1y1s s ALA 5149Ca 0.00 0.43 -0.24 0.00 0.00 0.00 0.00 51.96 52.16 1y1s s ALA 5149Cb 0.00 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 19.82 1y1s s ALA 5149CO 0.00 -1.86 0.85 0.99 0.00 0.00 0.00 175.76 175.74 1y1s s THR 5150N -2.67 4.55 0.17 0.00 2.01 -1.26 -4.81 115.64 113.63 1y1s s THR 5150Ca 0.64 0.40 0.05 0.00 0.31 0.00 0.00 61.69 63.09 1y1s s THR 5150Cb -0.20 -4.40 -0.04 0.00 0.01 0.00 0.00 72.50 67.87 1y1s s THR 5150CO 0.53 -0.86 0.13 -0.89 -0.69 0.00 0.00 174.62 172.84 1y1s s THR 5151N 3.53 4.43 -0.03 -0.82 2.01 -1.26 -0.77 115.64 122.74 1y1s s THR 5151Ca 0.31 -1.12 0.00 0.00 0.31 0.00 0.00 61.69 61.19 1y1s s THR 5151Cb -0.12 -3.27 0.03 0.00 0.01 0.00 0.00 72.50 69.15 1y1s s THR 5151CO 0.22 -0.12 0.00 -1.00 -0.69 0.00 0.00 174.62 173.03 1y1s s HIS 5152N -1.77 0.30 -0.22 4.92 3.76 -0.34 -4.95 115.29 117.00 1y1s s HIS 5152Ca 0.31 0.00 0.01 0.00 -0.15 0.00 0.00 55.06 55.23 1y1s s HIS 5152Cb -0.10 -0.39 0.03 0.00 1.11 0.00 0.00 32.58 33.23 1y1s s HIS 5152CO 0.23 -0.12 -0.15 0.08 -0.85 0.00 0.00 174.74 173.93 1y1s s VAL 5153N 0.98 2.23 0.00 -0.90 1.01 -1.26 -0.27 120.40 122.20 1y1s s VAL 5153Ca -0.10 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 60.68 1y1s s VAL 5153Cb -0.13 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.14 1y1s s VAL 5153CO -0.02 0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1y1s n GLY 5154N 4.56 1.66 3.90 4.51 0.00 -0.69 -4.94 105.19 114.20 1y1s n GLY 5154Ca -0.18 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 1y1s n GLY 5154CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1y1s s VAL 5155N -1.73 5.15 0.07 1.61 -7.23 -1.26 -0.43 120.40 116.59 1y1s s VAL 5155Ca 0.00 0.01 0.03 0.00 -1.81 0.00 0.00 61.98 60.21 1y1s s VAL 5155Cb 0.00 -3.64 -0.03 0.00 0.56 0.00 0.00 36.38 33.27 1y1s s VAL 5155CO 0.00 -0.01 -0.09 0.42 -0.31 0.00 0.00 175.10 175.11 1y1s s THR 5156N -1.71 0.78 -0.30 5.32 -4.23 -0.99 -0.35 115.64 114.16 1y1s s THR 5156Ca 0.41 -1.42 -0.21 0.00 -1.18 0.00 0.00 61.69 59.29 1y1s s THR 5156Cb -0.12 -1.07 -0.01 0.00 1.34 0.00 0.00 72.50 72.64 1y1s s THR 5156CO 0.25 -0.49 0.69 0.00 -0.54 0.00 0.00 174.62 174.53 1y1s s ALA 5157N -2.03 3.54 -0.47 3.99 0.00 0.11 0.59 121.76 127.49 1y1s s ALA 5157Ca -0.01 -0.54 -0.11 0.00 0.00 0.00 0.00 51.96 51.30 1y1s s ALA 5157Cb -0.05 -3.16 0.10 0.00 0.00 0.00 0.00 23.12 20.01 1y1s s ALA 5157CO -0.00 -1.08 0.36 0.45 0.00 0.00 0.00 175.76 175.49 1y1s s SER 5158N 1.60 5.84 -0.04 0.00 0.15 -0.63 -1.79 113.70 118.83 1y1s s SER 5158Ca 0.28 -1.69 -0.03 0.00 0.70 0.00 0.00 55.95 55.20 1y1s s SER 5158Cb -0.15 -2.07 -0.04 0.00 -1.71 0.00 0.00 66.02 62.06 1y1s s SER 5158CO 0.11 -0.68 0.15 -0.55 1.20 0.00 0.00 173.24 173.48 1y1s s SER 5159N 2.68 6.20 0.00 5.45 0.15 -0.65 -1.31 113.70 126.23 1y1s s SER 5159Ca 0.04 0.33 0.22 0.00 0.70 0.00 0.00 55.95 57.24 1y1s s SER 5159Cb -0.26 -1.93 1.30 0.00 -1.71 0.00 0.00 66.02 63.42 1y1s s SER 5159CO 0.02 0.30 1.83 0.47 1.20 0.00 0.00 173.24 177.06 1y1s n ASP 5160N 1.28 0.00 -3.95 5.45 10.43 -0.41 -4.41 116.55 124.93 1y1s n ASP 5160Ca -0.14 -1.29 -0.10 0.00 2.57 0.00 0.00 54.79 55.83 1y1s n ASP 5160Cb 0.53 0.00 -0.10 0.00 1.84 0.00 0.00 41.12 43.39 1y1s n ASP 5160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1y1s s THR 5161N -2.00 0.11 -0.03 -3.53 -4.23 -1.26 -5.02 115.64 99.68 1y1s s THR 5161Ca 0.33 -0.94 0.12 0.00 -1.18 0.00 0.00 61.69 60.02 1y1s s THR 5161Cb 0.15 -0.49 -0.20 0.00 1.34 0.00 0.00 72.50 73.30 1y1s s THR 5161CO 0.25 -0.52 0.82 0.15 -0.54 0.00 0.00 174.62 174.78 1y1s h PHE 5162N 4.29 0.00 0.00 3.99 3.04 -1.96 -3.39 116.94 122.90 1y1s h PHE 5162Ca -0.32 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.63 1y1s h PHE 5162Cb 1.20 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.71 1y1s h PHE 5162CO 0.61 0.91 0.00 0.66 -2.02 0.00 0.00 178.31 178.47 1y1s n TYR 5163N -3.07 0.00 -0.04 0.41 4.02 -1.26 -4.41 117.16 112.80 1y1s n TYR 5163Ca -0.12 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.69 1y1s n TYR 5163Cb 0.99 -0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 40.28 1y1s n TYR 5163CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1y1s h PRO 5164N 0.00 -0.04 0.00 -0.72 0.11 -1.87 -1.33 132.00 128.15 1y1s h PRO 5164Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1y1s h PRO 5164Cb 0.00 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.12 1y1s h PRO 5164CO 0.00 -0.03 0.00 0.41 -0.21 0.00 0.00 178.00 178.17 1y1s n GLY 5165N -1.24 -0.61 0.29 -0.55 0.00 -1.26 0.28 105.19 102.10 1y1s n GLY 5165Ca -0.02 0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.10 1y1s n GLY 5165CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1y1s n GLN 5166N -1.61 2.15 -3.94 1.61 6.02 -0.91 -4.88 117.38 115.82 1y1s n GLN 5166Ca 0.00 -2.37 -0.26 0.00 -0.01 0.00 0.00 57.00 54.36 1y1s n GLN 5166Cb 0.03 -1.46 -0.02 0.00 1.02 0.00 0.00 30.24 29.82 1y1s n GLN 5166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1y1s n GLU 5167N -0.86 -3.00 -3.56 -1.09 2.13 0.14 -4.95 120.64 109.45 1y1s n GLU 5167Ca 0.14 0.40 -0.36 0.00 0.66 0.00 0.00 57.16 57.99 1y1s n GLU 5167Cb 0.60 -4.43 -0.07 0.00 0.27 0.00 0.00 31.44 27.80 1y1s n GLU 5167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1y1s s ARG 5168N -6.53 4.25 -0.00 5.31 0.52 -0.55 -4.98 118.95 116.97 1y1s s ARG 5168Ca 0.05 0.06 0.18 0.00 -0.52 0.00 0.00 55.73 55.50 1y1s s ARG 5168Cb -0.02 -3.43 -0.20 0.00 0.52 0.00 0.00 34.95 31.82 1y1s s ARG 5168CO 0.89 0.23 0.76 0.66 0.02 0.00 0.00 175.30 177.87 1y1s n TYR 5169N 3.61 0.00 -1.45 -0.53 4.02 -1.26 -4.43 117.16 117.11 1y1s n TYR 5169Ca -0.12 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.37 1y1s n TYR 5169Cb 0.52 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 39.81 1y1s n TYR 5169CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1y1s n ASP 5170N -1.44 5.42 -4.07 7.72 8.00 -1.26 -4.21 116.55 126.70 1y1s n ASP 5170Ca 0.03 -2.69 -0.22 0.00 0.71 0.00 0.00 54.79 52.62 1y1s n ASP 5170Cb 0.29 -1.52 -0.09 0.00 -0.02 0.00 0.00 41.12 39.77 1y1s n ASP 5170CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1y1s s THR 5171N 3.07 0.54 0.13 -3.53 -4.23 -1.26 -5.01 115.64 105.34 1y1s s THR 5171Ca 0.55 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.76 1y1s s THR 5171Cb 0.15 -2.48 -0.07 0.00 1.34 0.00 0.00 72.50 71.44 1y1s s THR 5171CO -0.05 0.00 1.57 0.22 -0.54 0.00 0.00 174.62 175.82 1y1s h TYR 5172N 2.03 -1.37 0.00 3.99 -0.00 -1.99 -2.76 116.97 116.87 1y1s h TYR 5172Ca -0.35 0.06 -0.17 0.00 -0.00 0.00 0.00 58.73 58.27 1y1s h TYR 5172Cb 1.26 0.62 -0.02 0.00 -0.00 0.00 0.00 36.73 38.59 1y1s h TYR 5172CO 1.19 -0.50 -0.81 0.66 -0.00 0.00 0.00 178.16 178.70 1y1s h SER 5173N -0.50 0.00 0.00 -2.11 4.64 -1.97 -3.47 113.55 110.14 1y1s h SER 5173Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1y1s h SER 5173Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1y1s h SER 5173CO -0.45 0.81 0.00 0.61 -0.87 0.00 0.00 176.83 176.94 1y1s n GLY 5174N 1.01 0.58 3.73 -0.77 0.00 -1.04 -5.00 105.19 103.69 1y1s n GLY 5174Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1y1s n GLY 5174CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1y1s s ARG 5175N -0.42 2.24 -0.08 1.61 1.70 -1.26 -4.88 118.95 117.86 1y1s s ARG 5175Ca 0.00 -1.77 -0.04 0.00 -0.47 0.00 0.00 55.73 53.46 1y1s s ARG 5175Cb 0.00 -2.02 0.04 0.00 -0.57 0.00 0.00 34.95 32.40 1y1s s ARG 5175CO 0.00 -0.04 0.18 0.08 -1.08 0.00 0.00 175.30 174.44 1y1s s VAL 5176N -2.55 -0.07 0.56 4.99 1.01 -1.26 -4.92 120.40 118.15 1y1s s VAL 5176Ca 0.40 0.19 -0.18 0.00 0.00 0.00 0.00 61.98 62.39 1y1s s VAL 5176Cb 0.02 -0.29 -0.10 0.00 0.00 0.00 0.00 36.38 36.01 1y1s s VAL 5176CO 0.22 0.08 0.41 1.33 0.00 0.00 0.00 175.10 177.14 1y1s n VAL 5177N 4.34 1.86 -0.29 2.92 0.24 -1.26 -4.60 118.33 121.53 1y1s n VAL 5177Ca -0.24 -0.50 0.12 0.00 -2.04 0.00 0.00 64.34 61.68 1y1s n VAL 5177Cb 0.52 -0.56 0.28 0.00 -1.47 0.00 0.00 33.84 32.61 1y1s n VAL 5177CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1y1s h ARG 5178N 0.20 0.21 -1.09 7.34 2.43 -2.01 0.42 114.38 121.88 1y1s h ARG 5178Ca -0.45 -0.01 0.30 0.00 -0.81 0.00 0.00 59.98 59.01 1y1s h ARG 5178Cb 1.41 -0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 30.83 1y1s h ARG 5178CO 0.46 0.14 0.72 -0.09 -1.51 0.00 0.00 179.97 179.70 1y1s h ARG 5179N 0.22 0.27 -0.17 0.20 1.12 -2.03 -2.39 114.38 111.59 1y1s h ARG 5179Ca 0.54 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 59.39 1y1s h ARG 5179Cb 1.06 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.96 1y1s h ARG 5179CO -0.64 0.18 0.00 1.19 -3.11 0.00 0.00 179.97 177.59 1y1s n PHE 5180N -4.53 0.22 -2.36 2.20 3.01 0.12 -4.78 117.46 111.34 1y1s n PHE 5180Ca 0.26 -0.22 -0.42 0.00 1.01 0.00 0.00 57.45 58.08 1y1s n PHE 5180Cb 1.01 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 40.44 1y1s n PHE 5180CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1y1s s LYS 5181N -1.01 4.30 -0.15 -1.08 1.02 -0.90 -1.94 119.74 119.98 1y1s s LYS 5181Ca 0.19 1.79 0.00 0.00 0.02 0.00 0.00 55.97 57.97 1y1s s LYS 5181Cb 0.11 -3.61 0.00 0.00 -0.52 0.00 0.00 37.83 33.81 1y1s s LYS 5181CO 0.16 -0.55 0.00 0.41 -0.92 0.00 0.00 175.35 174.45 1y1s n GLY 5182N 3.53 0.44 0.18 -3.33 0.00 -1.26 -4.90 105.19 99.85 1y1s n GLY 5182Ca 0.12 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 1y1s n GLY 5182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1y1s h SER 5183N 0.00 0.66 -0.62 1.61 4.64 -1.69 -3.12 113.55 115.03 1y1s h SER 5183Ca -0.03 -0.48 -0.04 0.00 -0.47 0.00 0.00 61.79 60.77 1y1s h SER 5183Cb 0.38 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 1y1s h SER 5183CO 0.04 1.27 0.24 -0.03 -0.87 0.00 0.00 176.83 177.48 1y1s h MET 5184N 0.33 0.93 0.00 4.77 -1.53 -1.91 -0.84 114.93 116.69 1y1s h MET 5184Ca -0.07 -0.17 0.00 0.00 -3.44 0.00 0.00 59.70 56.02 1y1s h MET 5184Cb 1.49 -0.15 0.00 0.00 -0.55 0.00 0.00 31.60 32.39 1y1s h MET 5184CO 0.16 0.79 0.00 1.49 0.14 0.00 0.00 176.91 179.49 1y1s h GLU 5185N 0.87 0.00 0.01 0.39 4.81 -1.96 -1.74 114.58 116.97 1y1s h GLU 5185Ca 0.21 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.16 1y1s h GLU 5185Cb 0.21 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 1y1s h GLU 5185CO -0.02 0.00 -1.50 1.49 -0.73 0.00 0.00 179.01 178.25 1y1s h GLU 5186N 0.00 0.03 -0.09 1.92 4.81 -1.13 -2.88 114.58 117.24 1y1s h GLU 5186Ca 0.00 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 1y1s h GLU 5186Cb 0.25 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1y1s h GLU 5186CO 0.00 0.72 -0.21 -1.49 -0.73 0.00 0.00 179.01 177.30 1y1s h TRP 5187N 0.01 0.38 -0.37 0.92 -0.00 -0.60 -2.08 115.95 114.21 1y1s h TRP 5187Ca -0.21 -0.14 0.04 0.00 -0.00 0.00 0.00 58.89 58.58 1y1s h TRP 5187Cb 1.95 -0.07 -0.04 0.00 -0.00 0.00 0.00 29.16 31.00 1y1s h TRP 5187CO 0.01 0.82 0.14 1.96 -0.00 0.00 0.00 178.44 181.37 1y1s h GLN 5188N -0.17 0.29 -0.28 0.49 4.20 -1.47 0.96 115.11 119.13 1y1s h GLN 5188Ca -0.00 -0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.77 1y1s h GLN 5188Cb 0.81 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 1y1s h GLN 5188CO 0.05 0.19 0.20 0.00 -0.67 0.00 0.00 178.83 178.60 1y1s h ALA 5189N 1.23 2.25 -0.01 3.87 0.00 -1.46 0.14 119.26 125.28 1y1s h ALA 5189Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1y1s h ALA 5189Cb 0.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1y1s h ALA 5189CO -0.16 -0.35 -0.06 -1.33 0.00 0.00 0.00 179.25 177.35 1y1s n MET 5190N -4.42 1.34 -0.20 0.00 2.81 0.19 -4.93 117.12 111.91 1y1s n MET 5190Ca 0.04 -0.71 0.00 0.00 -1.81 0.00 0.00 57.70 55.22 1y1s n MET 5190Cb 0.36 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 1y1s n MET 5190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1y1s n GLY 5191N 1.20 1.07 3.62 3.03 0.00 0.50 -5.02 105.19 109.59 1y1s n GLY 5191Ca 0.18 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.71 1y1s n GLY 5191CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1y1s n VAL 5192N -2.00 0.34 -0.03 1.61 0.31 -0.50 -4.73 118.33 113.33 1y1s n VAL 5192Ca 0.00 -0.09 -0.13 0.00 -0.01 0.00 0.00 64.34 64.11 1y1s n VAL 5192Cb 0.00 -1.12 -0.11 0.00 -0.91 0.00 0.00 33.84 31.70 1y1s n VAL 5192CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1y1s h MET 5193N 4.60 -0.00 0.00 5.55 0.00 -1.03 -3.41 114.93 120.64 1y1s h MET 5193Ca -0.46 0.00 -0.09 0.00 0.00 0.00 0.00 59.70 59.16 1y1s h MET 5193Cb 1.31 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 32.89 1y1s h MET 5193CO 0.79 0.67 0.06 0.27 0.00 0.00 0.00 176.91 178.70 1y1s n ASN 5194N -4.77 -1.23 -4.39 1.22 6.94 -1.26 -1.15 115.26 110.62 1y1s n ASN 5194Ca -0.09 -2.11 -0.32 0.00 -0.02 0.00 0.00 54.58 52.03 1y1s n ASN 5194Cb 0.33 2.13 -0.14 0.00 -2.36 0.00 0.00 39.78 39.74 1y1s n ASN 5194CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1y1s s TYR 5195N -4.22 2.65 0.34 -2.53 2.02 -0.93 0.05 117.35 114.73 1y1s s TYR 5195Ca 0.14 -0.43 -0.11 0.00 -0.37 0.00 0.00 57.07 56.29 1y1s s TYR 5195Cb -0.02 -1.67 0.02 0.00 -0.40 0.00 0.00 41.96 39.89 1y1s s TYR 5195CO 0.10 -0.03 0.62 -1.83 -1.57 0.00 0.00 175.55 172.84 1y1s s GLU 5196N -0.30 1.96 -0.11 -0.62 4.04 -0.74 -3.33 118.70 119.60 1y1s s GLU 5196Ca 0.02 -1.47 0.14 0.00 0.04 0.00 0.00 54.97 53.70 1y1s s GLU 5196Cb -0.13 0.53 0.29 0.00 0.02 0.00 0.00 34.13 34.85 1y1s s GLU 5196CO 0.03 -0.86 1.14 -1.33 -1.84 0.00 0.00 175.26 172.39 1y1s n MET 5197N -0.51 0.92 0.00 -4.83 2.81 -1.26 -1.63 117.12 112.62 1y1s n MET 5197Ca -0.04 -2.38 0.00 0.00 -1.81 0.00 0.00 57.70 53.47 1y1s n MET 5197Cb 0.61 -1.11 0.00 0.00 -0.71 0.00 0.00 33.22 32.01 1y1s n MET 5197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1y1s n GLU 5198N -0.77 4.75 -0.16 0.03 4.71 -1.26 -3.60 120.64 124.35 1y1s n GLU 5198Ca 0.12 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.29 1y1s n GLU 5198Cb 0.74 -0.40 0.31 0.00 -1.01 0.00 0.00 31.44 31.09 1y1s n GLU 5198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1y1s h SER 5199N 0.00 0.73 -0.05 1.62 4.64 -1.94 -1.88 113.55 116.67 1y1s h SER 5199Ca 0.00 -0.02 0.04 0.00 -0.47 0.00 0.00 61.79 61.34 1y1s h SER 5199Cb 0.00 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 61.87 1y1s h SER 5199CO 0.00 0.52 -0.21 0.00 -0.87 0.00 0.00 176.83 176.27 1y1s h ALA 5200N 1.60 -0.23 -0.25 5.18 0.00 -1.87 0.18 119.26 123.87 1y1s h ALA 5200Ca 0.25 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 1y1s h ALA 5200Cb -0.05 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1y1s h ALA 5200CO -0.06 -0.69 -0.21 1.15 0.00 0.00 0.00 179.25 179.44 1y1s h THR 5201N -0.31 1.31 0.90 0.00 2.02 -1.89 -2.32 112.91 112.62 1y1s h THR 5201Ca 0.08 -1.36 -0.04 0.00 0.77 0.00 0.00 66.41 65.86 1y1s h THR 5201Cb 0.42 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1y1s h THR 5201CO -0.23 0.42 -0.49 0.25 0.37 0.00 0.00 175.52 175.84 1y1s h LEU 5202N 0.29 -1.19 -0.60 2.58 5.85 -1.17 -1.77 115.31 119.31 1y1s h LEU 5202Ca 0.04 0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.91 1y1s h LEU 5202Cb 0.76 0.33 -0.07 0.00 0.37 0.00 0.00 40.66 42.04 1y1s h LEU 5202CO 0.05 -0.79 0.23 -0.07 -0.34 0.00 0.00 178.44 177.52 1y1s h LEU 5203N -1.28 0.23 -0.05 2.25 4.07 -0.72 -1.73 115.31 118.07 1y1s h LEU 5203Ca -0.12 0.07 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 1y1s h LEU 5203Cb 1.00 0.05 -0.00 0.00 1.08 0.00 0.00 40.66 42.79 1y1s h LEU 5203CO 0.17 0.14 -0.05 0.74 -1.08 0.00 0.00 178.44 178.36 1y1s h THR 5204N 0.41 1.37 0.00 0.22 2.02 -1.43 -0.57 112.91 114.93 1y1s h THR 5204Ca 0.30 -1.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.25 1y1s h THR 5204Cb 0.36 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 1y1s h THR 5204CO -0.30 0.33 -0.18 0.00 0.37 0.00 0.00 175.52 175.74 1y1s h MET 5205N -0.32 0.00 0.05 6.66 -0.00 -1.24 -1.69 114.93 118.39 1y1s h MET 5205Ca 0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.61 1y1s h MET 5205Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.15 1y1s h MET 5205CO 0.01 0.18 -0.48 0.00 -0.00 0.00 0.00 176.91 176.62 1y1s h ALA 5207N -0.03 1.17 -0.46 0.00 0.00 -0.98 0.32 119.26 119.28 1y1s h ALA 5207Ca -0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1y1s h ALA 5207Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1y1s h ALA 5207CO 0.03 0.06 0.00 -1.13 0.00 0.00 0.00 179.25 178.20 1y1s n SER 5208N -3.39 3.34 -0.25 0.00 3.41 -0.65 -4.39 113.62 111.70 1y1s n SER 5208Ca -0.02 -1.95 0.02 0.00 -0.26 0.00 0.00 58.87 56.66 1y1s n SER 5208Cb 0.18 -0.30 0.02 0.00 -0.26 0.00 0.00 64.21 63.85 1y1s n SER 5208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y1s n GLN 5209N 1.19 0.51 -1.71 4.33 6.02 -0.98 -5.01 117.38 121.73 1y1s n GLN 5209Ca 0.18 -1.19 -0.06 0.00 -0.01 0.00 0.00 57.00 55.92 1y1s n GLN 5209Cb 0.53 -0.72 -0.01 0.00 1.02 0.00 0.00 30.24 31.06 1y1s n GLN 5209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1y1s n GLY 5210N -0.29 0.43 3.69 1.08 0.00 -1.06 -5.03 105.19 104.01 1y1s n GLY 5210Ca 0.03 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 1y1s n GLY 5210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y1s s LEU 5211N -1.57 3.53 -0.13 0.99 1.02 0.06 -5.04 118.68 117.54 1y1s s LEU 5211Ca 0.00 -0.06 -0.11 0.00 0.02 0.00 0.00 54.13 53.98 1y1s s LEU 5211Cb 0.00 -2.12 -0.05 0.00 0.02 0.00 0.00 46.19 44.04 1y1s s LEU 5211CO 0.00 0.24 0.23 -0.13 0.02 0.00 0.00 176.35 176.71 1y1s s ARG 5212N -1.87 3.91 0.00 1.70 0.52 0.13 -3.87 118.95 119.47 1y1s s ARG 5212Ca 0.22 0.02 -0.13 0.00 -0.52 0.00 0.00 55.73 55.32 1y1s s ARG 5212Cb -0.12 -3.31 0.02 0.00 0.52 0.00 0.00 34.95 32.06 1y1s s ARG 5212CO 0.14 0.51 0.27 0.00 0.02 0.00 0.00 175.30 176.24 1y1s s ALA 5213N -0.32 -0.66 0.26 2.13 0.00 -1.25 0.17 121.76 122.08 1y1s s ALA 5213Ca 0.16 0.15 -0.07 0.00 0.00 0.00 0.00 51.96 52.20 1y1s s ALA 5213Cb -0.13 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 1y1s s ALA 5213CO 0.04 -0.28 0.38 0.20 0.00 0.00 0.00 175.76 176.10 1y1s s GLY 5214N -1.51 1.01 -0.18 0.00 0.00 0.32 -0.58 107.32 106.38 1y1s s GLY 5214Ca -0.12 -1.26 -0.16 0.00 0.00 0.00 0.00 44.72 43.19 1y1s s GLY 5214CO 0.02 -0.93 0.48 -0.29 0.00 0.00 0.00 173.10 172.38 1y1s s MET 5215N -3.84 0.54 0.06 2.90 1.75 -1.26 -1.45 119.30 118.00 1y1s s MET 5215Ca 0.29 0.70 0.02 0.00 -1.25 0.00 0.00 55.69 55.44 1y1s s MET 5215Cb 0.01 0.23 -0.03 0.00 2.84 0.00 0.00 34.83 37.88 1y1s s MET 5215CO 0.13 -0.08 -0.07 0.54 -0.65 0.00 0.00 175.02 174.88 1y1s s VAL 5216N 0.45 0.55 0.25 10.11 0.11 -0.60 -1.21 120.40 130.06 1y1s s VAL 5216Ca -0.02 -1.36 -0.17 0.00 -2.93 0.00 0.00 61.98 57.50 1y1s s VAL 5216Cb -0.04 -0.95 0.01 0.00 -1.53 0.00 0.00 36.38 33.87 1y1s s VAL 5216CO -0.02 -0.56 0.59 0.00 -3.33 0.00 0.00 175.10 171.78 1y1s s ALA 5217N -2.16 -0.78 0.03 1.54 0.00 -0.42 -1.89 121.76 118.08 1y1s s ALA 5217Ca -0.03 -0.52 0.08 0.00 0.00 0.00 0.00 51.96 51.49 1y1s s ALA 5217Cb -0.05 0.94 -0.02 0.00 0.00 0.00 0.00 23.12 23.99 1y1s s ALA 5217CO -0.02 -0.93 -0.24 0.20 0.00 0.00 0.00 175.76 174.77 1y1s s GLY 5218N -2.95 1.26 -0.12 0.00 0.00 -0.68 -1.32 107.32 103.50 1y1s s GLY 5218Ca 0.15 -1.14 -0.27 0.00 0.00 0.00 0.00 44.72 43.46 1y1s s GLY 5218CO 0.06 -1.02 0.90 0.14 0.00 0.00 0.00 173.10 173.18 1y1s s VAL 5219N -0.73 4.86 -0.18 1.40 1.01 -0.81 -1.24 120.40 124.72 1y1s s VAL 5219Ca 0.10 1.80 0.09 0.00 0.00 0.00 0.00 61.98 63.97 1y1s s VAL 5219Cb -0.09 -4.21 -0.12 0.00 0.00 0.00 0.00 36.38 31.96 1y1s s VAL 5219CO 0.01 0.05 0.27 2.30 0.00 0.00 0.00 175.10 177.73 1y1s n ILE 5220N 4.51 0.00 -3.70 2.22 -5.35 0.34 -0.62 119.36 116.75 1y1s n ILE 5220Ca 0.06 -0.24 -0.14 0.00 -0.27 0.00 0.00 62.75 62.15 1y1s n ILE 5220Cb 0.49 0.59 -0.09 0.00 -1.74 0.00 0.00 39.64 38.89 1y1s n ILE 5220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1y1s s VAL 5221N -2.29 0.02 -0.30 7.28 0.11 -1.24 -4.86 120.40 119.12 1y1s s VAL 5221Ca -0.01 -0.16 -0.00 0.00 -2.93 0.00 0.00 61.98 58.88 1y1s s VAL 5221Cb 0.06 -0.69 0.06 0.00 -1.53 0.00 0.00 36.38 34.28 1y1s s VAL 5221CO 0.37 -0.09 -0.01 0.21 -3.33 0.00 0.00 175.10 172.25 1y1s s ASN 5222N -0.51 4.80 0.00 3.54 3.84 -1.26 -1.53 114.94 123.83 1y1s s ASN 5222Ca -0.06 -1.40 0.01 0.00 0.21 0.00 0.00 52.86 51.62 1y1s s ASN 5222Cb -0.03 -1.68 0.06 0.00 -0.55 0.00 0.00 41.25 39.05 1y1s s ASN 5222CO 0.03 -0.27 0.37 0.54 -2.79 0.00 0.00 177.10 174.98 1y1s n ARG 5223N 4.56 0.05 0.00 0.43 5.12 -0.96 -0.96 116.66 124.90 1y1s n ARG 5223Ca -0.12 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.85 1y1s n ARG 5223Cb 0.43 -1.30 -0.03 0.00 -1.16 0.00 0.00 32.46 30.40 1y1s n ARG 5223CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1y1s n THR 5224N -0.80 0.00 -1.47 0.55 -2.24 -1.26 -5.06 114.28 104.01 1y1s n THR 5224Ca 0.01 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1y1s n THR 5224Cb 0.00 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 1y1s n THR 5224CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y1s n GLN 5225N -0.84 0.00 -3.62 -0.78 10.64 -0.13 -5.13 117.38 117.52 1y1s n GLN 5225Ca 0.02 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 54.92 1y1s n GLN 5225Cb 0.16 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 29.44 1y1s n GLN 5225CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1y1s n GLN 5226N 0.00 1.98 -3.10 2.61 6.02 -1.26 -4.72 117.38 118.91 1y1s n GLN 5226Ca 0.00 -4.42 -0.43 0.00 -0.01 0.00 0.00 57.00 52.14 1y1s n GLN 5226Cb 0.00 -2.18 0.00 0.00 1.02 0.00 0.00 30.24 29.09 1y1s n GLN 5226CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1y1s n GLU 5227N 1.49 4.19 -0.82 -1.09 4.07 -1.26 -4.98 120.64 122.24 1y1s n GLU 5227Ca 0.25 -4.54 -0.32 0.00 -0.06 0.00 0.00 57.16 52.49 1y1s n GLU 5227Cb 0.39 -2.51 -0.04 0.00 -0.06 0.00 0.00 31.44 29.22 1y1s n GLU 5227CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1y1s n ILE 5228N 1.63 0.00 -1.52 6.31 2.08 -1.26 -4.54 119.36 122.07 1y1s n ILE 5228Ca 0.26 0.00 -0.28 0.00 0.56 0.00 0.00 62.75 63.29 1y1s n ILE 5228Cb 0.35 -0.09 -0.15 0.00 -0.75 0.00 0.00 39.64 39.00 1y1s n ILE 5228CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 1y1s n PRO 5229N 1.22 0.25 -2.18 0.38 -0.02 -1.26 -4.78 135.00 128.61 1y1s n PRO 5229Ca 0.12 -0.16 -0.36 0.00 -2.02 0.00 0.00 63.50 61.08 1y1s n PRO 5229Cb 0.02 -2.01 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 1y1s n PRO 5229CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1y1s n ASN 5230N 10.95 3.84 0.00 2.55 3.02 -1.26 -4.84 115.26 129.52 1y1s n ASN 5230Ca 0.59 -2.80 0.00 0.00 -0.03 0.00 0.00 54.58 52.34 1y1s n ASN 5230Cb 0.22 -1.69 0.00 0.00 -0.61 0.00 0.00 39.78 37.70 1y1s n ASN 5230CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1y1s n ALA 5231N 10.89 0.00 0.94 5.41 0.00 -1.26 0.44 120.51 136.93 1y1s n ALA 5231Ca 0.47 0.00 0.12 0.00 0.00 0.00 0.00 53.44 54.04 1y1s n ALA 5231Cb 0.45 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.23 1y1s n ALA 5231CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1y1s n GLU 5232N -1.21 0.04 0.11 0.00 0.00 -1.26 -4.21 120.64 114.11 1y1s n GLU 5232Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 57.16 57.05 1y1s n GLU 5232Cb 0.00 -1.53 -0.06 0.00 0.00 0.00 0.00 31.44 29.86 1y1s n GLU 5232CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 1y1s h THR 5233N 0.00 0.50 -0.41 6.31 2.02 0.87 -0.77 112.91 121.43 1y1s h THR 5233Ca 0.00 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.30 1y1s h THR 5233Cb 0.53 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1y1s h THR 5233CO 0.00 0.00 0.29 -0.03 0.37 0.00 0.00 175.52 176.15 1y1s h MET 5234N -0.41 0.00 0.29 6.66 1.85 -1.78 0.11 114.93 121.65 1y1s h MET 5234Ca 0.03 -0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.11 1y1s h MET 5234Cb 0.43 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.47 1y1s h MET 5234CO -0.13 0.00 -0.14 -0.22 -0.40 0.00 0.00 176.91 176.03 1y1s h LYS 5235N 0.00 -0.37 -0.32 0.39 3.64 -1.47 -2.49 116.57 115.95 1y1s h LYS 5235Ca 0.19 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.54 1y1s h LYS 5235Cb 0.78 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 1y1s h LYS 5235CO -0.00 -0.03 -0.02 -0.56 -2.27 0.00 0.00 179.45 176.57 1y1s h GLN 5236N -0.79 0.57 0.00 1.90 3.07 -0.65 -2.70 115.11 116.51 1y1s h GLN 5236Ca -0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 58.65 58.50 1y1s h GLN 5236Cb 0.51 -0.05 -0.00 0.00 0.08 0.00 0.00 27.48 28.02 1y1s h GLN 5236CO 0.06 0.72 -0.05 1.15 0.09 0.00 0.00 178.83 180.80 1y1s h THR 5237N 0.36 0.43 0.07 1.86 2.02 -0.90 -2.92 112.91 113.83 1y1s h THR 5237Ca 0.09 -0.27 -0.32 0.00 0.77 0.00 0.00 66.41 66.68 1y1s h THR 5237Cb 0.47 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 1y1s h THR 5237CO 0.02 0.05 -1.73 -0.08 0.37 0.00 0.00 175.52 174.15 1y1s h GLU 5238N 0.00 0.15 -0.47 6.66 4.81 -1.32 -3.30 114.58 121.12 1y1s h GLU 5238Ca -0.00 -0.26 -0.05 0.00 -0.13 0.00 0.00 59.36 58.92 1y1s h GLU 5238Cb 0.18 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1y1s h GLU 5238CO 0.01 0.91 0.09 0.77 -0.73 0.00 0.00 179.01 180.06 1y1s h SER 5239N 0.04 0.66 -0.41 1.04 0.02 -1.29 -1.54 113.55 112.07 1y1s h SER 5239Ca -0.31 -0.11 -0.15 0.00 -0.84 0.00 0.00 61.79 60.37 1y1s h SER 5239Cb 2.01 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 64.37 1y1s h SER 5239CO 0.11 0.67 -0.34 0.45 -1.14 0.00 0.00 176.83 176.58 1y1s h HIS 5240N 0.69 1.13 -0.14 3.45 3.86 -1.68 -1.73 115.15 120.72 1y1s h HIS 5240Ca 0.15 -0.32 -0.04 0.00 -1.16 0.00 0.00 60.37 59.00 1y1s h HIS 5240Cb 0.29 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.51 1y1s h HIS 5240CO 0.01 1.15 -0.06 0.00 0.86 0.00 0.00 177.93 179.90 1y1s h ALA 5241N 0.80 0.19 -0.90 2.45 0.00 -1.60 -1.77 119.26 118.43 1y1s h ALA 5241Ca 0.07 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 54.84 1y1s h ALA 5241Cb 0.93 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 1y1s h ALA 5241CO 0.09 -0.02 0.58 0.28 0.00 0.00 0.00 179.25 180.18 1y1s h VAL 5242N -0.05 0.93 -0.03 0.00 2.07 -1.25 0.41 116.25 118.33 1y1s h VAL 5242Ca 0.03 -0.29 -0.15 0.00 0.82 0.00 0.00 66.70 67.11 1y1s h VAL 5242Cb 0.52 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1y1s h VAL 5242CO 0.02 0.15 -0.65 0.50 0.02 0.00 0.00 177.57 177.61 1y1s h LYS 5243N 0.85 0.13 0.15 1.57 3.64 -1.19 -2.54 116.57 119.18 1y1s h LYS 5243Ca 0.43 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.71 1y1s h LYS 5243Cb 0.49 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1y1s h LYS 5243CO -0.19 0.73 -0.07 0.82 -2.27 0.00 0.00 179.45 178.47 1y1s h ILE 5244N 0.09 0.99 -0.01 2.00 2.04 0.33 -0.70 117.51 122.26 1y1s h ILE 5244Ca -0.01 -0.74 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 1y1s h ILE 5244Cb 1.16 1.43 -0.00 0.00 -0.74 0.00 0.00 36.82 38.67 1y1s h ILE 5244CO 0.09 0.17 -0.11 1.62 0.00 0.00 0.00 178.15 179.92 1y1s h VAL 5245N -0.56 1.08 0.01 1.67 3.04 -0.38 0.18 116.25 121.29 1y1s h VAL 5245Ca -0.02 -0.39 -0.08 0.00 -1.01 0.00 0.00 66.70 65.19 1y1s h VAL 5245Cb 0.43 1.20 0.01 0.00 -2.01 0.00 0.00 31.29 30.92 1y1s h VAL 5245CO 0.03 0.11 -0.33 0.58 -1.01 0.00 0.00 177.57 176.95 1y1s h VAL 5246N 0.01 1.54 -0.55 1.51 2.07 -1.40 -1.36 116.25 118.07 1y1s h VAL 5246Ca 0.00 -2.03 -0.01 0.00 0.82 0.00 0.00 66.70 65.48 1y1s h VAL 5246Cb 0.20 2.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 1y1s h VAL 5246CO 0.01 0.56 0.29 -0.08 0.02 0.00 0.00 177.57 178.37 1y1s h GLU 5247N -0.45 0.76 -0.40 1.57 4.57 -0.76 -1.13 114.58 118.74 1y1s h GLU 5247Ca -0.04 -0.08 -0.12 0.00 -1.18 0.00 0.00 59.36 57.94 1y1s h GLU 5247Cb 1.10 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.53 1y1s h GLU 5247CO 0.07 0.57 -0.20 0.00 -1.18 0.00 0.00 179.01 178.26 1y1s h ALA 5248N 1.56 0.56 -0.96 2.92 0.00 -0.65 -2.94 119.26 119.74 1y1s h ALA 5248Ca 0.19 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1y1s h ALA 5248Cb 0.04 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1y1s h ALA 5248CO -0.03 0.52 0.64 0.00 0.00 0.00 0.00 179.25 180.38 1y1s h ALA 5249N 0.81 1.33 -0.81 0.00 0.00 -0.46 -2.07 119.26 118.05 1y1s h ALA 5249Ca 0.09 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.03 1y1s h ALA 5249Cb 0.76 -0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 1y1s h ALA 5249CO 0.06 0.62 0.46 -0.09 0.00 0.00 0.00 179.25 180.29 1y1s h ARG 5250N 1.29 0.74 0.00 0.00 2.43 -1.05 0.17 114.38 117.95 1y1s h ARG 5250Ca 0.36 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 1y1s h ARG 5250Cb -0.12 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.26 1y1s h ARG 5250CO -0.08 0.49 0.00 0.54 -1.51 0.00 0.00 179.97 179.41 1y1s n ARG 5251N -4.76 0.48 0.00 0.20 1.74 -0.79 -3.15 116.66 110.37 1y1s n ARG 5251Ca 0.14 0.05 0.06 0.00 -0.77 0.00 0.00 57.85 57.33 1y1s n ARG 5251Cb 0.29 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.19 1y1s n ARG 5251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1y1s n LEU 5252N -1.18 1.04 0.00 0.55 4.77 0.56 -5.02 117.00 117.72 1y1s n LEU 5252Ca 0.13 -0.63 0.10 0.00 -0.03 0.00 0.00 56.01 55.58 1y1s n LEU 5252Cb 0.14 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 41.85 1y1s n LEU 5252CO 0.16 0.22 0.81 0.18 -1.33 0.00 0.00 177.39 177.43