#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0p s LEU 5003N 0.00 4.36 0.13 0.99 2.96 -1.26 -3.39 118.68 122.47 1x0p s LEU 5003Ca 0.00 1.42 0.01 0.00 -0.22 0.00 0.00 54.13 55.34 1x0p s LEU 5003Cb 0.00 -3.29 -0.04 0.00 0.50 0.00 0.00 46.19 43.35 1x0p s LEU 5003CO 0.00 -0.14 -0.02 -1.00 -1.32 0.00 0.00 176.35 173.87 1x0p s HIS 5004N 0.71 0.99 -0.05 5.38 3.76 0.58 -1.44 115.29 125.23 1x0p s HIS 5004Ca 0.43 -1.01 0.02 0.00 -0.15 0.00 0.00 55.06 54.36 1x0p s HIS 5004Cb -0.19 -0.57 0.01 0.00 1.11 0.00 0.00 32.58 32.93 1x0p s HIS 5004CO 0.23 -0.24 -0.11 0.50 -0.85 0.00 0.00 174.74 174.27 1x0p s ARG 5005N -3.90 1.39 -0.02 1.40 3.52 0.06 -1.01 118.95 120.39 1x0p s ARG 5005Ca 0.18 -0.37 0.05 0.00 -0.13 0.00 0.00 55.73 55.46 1x0p s ARG 5005Cb 0.06 -1.21 -0.03 0.00 -1.56 0.00 0.00 34.95 32.21 1x0p s ARG 5005CO -0.01 0.07 -0.17 -1.17 -0.81 0.00 0.00 175.30 173.22 1x0p s LEU 5006N 0.46 2.61 -0.02 -0.88 2.96 0.72 -2.12 118.68 122.41 1x0p s LEU 5006Ca -0.09 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.53 1x0p s LEU 5006Cb -0.13 -1.52 0.01 0.00 0.50 0.00 0.00 46.19 45.05 1x0p s LEU 5006CO 0.02 0.31 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.71 1x0p s ILE 5007N -0.78 0.31 0.14 6.68 1.01 -0.02 -1.14 121.20 127.41 1x0p s ILE 5007Ca 0.12 -0.06 -0.14 0.00 0.00 0.00 0.00 60.65 60.56 1x0p s ILE 5007Cb -0.10 -0.33 0.02 0.00 0.01 0.00 0.00 42.46 42.06 1x0p s ILE 5007CO 0.02 0.14 0.38 -0.72 0.00 0.00 0.00 174.94 174.76 1x0p s TYR 5008N 0.53 -0.06 0.25 3.97 -0.85 -0.94 0.50 117.35 120.76 1x0p s TYR 5008Ca -0.06 -0.28 0.05 0.00 -0.52 0.00 0.00 57.07 56.26 1x0p s TYR 5008Cb -0.09 0.20 -0.05 0.00 0.38 0.00 0.00 41.96 42.40 1x0p s TYR 5008CO -0.01 -0.72 -0.04 -0.48 -1.52 0.00 0.00 175.55 172.78 1x0p s LEU 5009N -2.85 2.36 0.17 -3.49 0.05 0.04 -1.58 118.68 113.38 1x0p s LEU 5009Ca 0.06 -1.20 -0.24 0.00 0.05 0.00 0.00 54.13 52.80 1x0p s LEU 5009Cb 0.02 -0.47 0.06 0.00 -2.05 0.00 0.00 46.19 43.75 1x0p s LEU 5009CO -0.09 -0.42 0.92 -0.94 -0.55 0.00 0.00 176.35 175.27 1x0p s SER 5010N -3.37 -0.20 -0.17 1.48 1.04 -0.13 -0.47 113.70 111.87 1x0p s SER 5010Ca 0.29 -0.42 -0.06 0.00 0.48 0.00 0.00 55.95 56.24 1x0p s SER 5010Cb 0.05 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.65 1x0p s SER 5010CO 0.10 -0.96 0.03 0.00 0.98 0.00 0.00 173.24 173.39 1x0p s ALA 5012N 0.28 3.47 0.05 0.00 0.00 -0.43 -0.70 121.76 124.42 1x0p s ALA 5012Ca 0.01 1.22 -0.31 0.00 0.00 0.00 0.00 51.96 52.89 1x0p s ALA 5012Cb -0.13 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 19.47 1x0p s ALA 5012CO 0.01 -0.60 1.37 0.99 0.00 0.00 0.00 175.76 177.52 1x0p s THR 5013N -1.16 3.63 0.06 0.00 2.01 0.09 -4.82 115.64 115.45 1x0p s THR 5013Ca 0.49 1.10 -0.37 0.00 0.31 0.00 0.00 61.69 63.22 1x0p s THR 5013Cb -0.39 -3.70 -0.16 0.00 0.01 0.00 0.00 72.50 68.26 1x0p s THR 5013CO 0.51 0.04 1.42 0.47 -0.69 0.00 0.00 174.62 176.37 1x0p n ASP 5014N 4.68 1.95 0.00 3.53 8.00 -1.26 -1.76 116.55 131.68 1x0p n ASP 5014Ca 0.12 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.73 1x0p n ASP 5014Cb 0.44 -1.22 0.00 0.00 -0.02 0.00 0.00 41.12 40.31 1x0p n ASP 5014CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x0p n GLY 5015N 2.83 1.09 3.67 0.44 0.00 -1.26 -5.07 105.19 106.90 1x0p n GLY 5015Ca 0.19 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.76 1x0p n GLY 5015CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x0p n LEU 5016N 0.00 3.11 -4.59 0.99 7.94 -0.72 -4.99 117.00 118.73 1x0p n LEU 5016Ca 0.00 1.15 -0.27 0.00 -1.11 0.00 0.00 56.01 55.78 1x0p n LEU 5016Cb 0.00 -1.43 -0.10 0.00 0.53 0.00 0.00 43.42 42.42 1x0p n LEU 5016CO 0.00 -0.51 -0.28 -0.94 -1.11 0.00 0.00 177.39 174.55 1x0p s SER 5017N 0.21 3.52 0.14 1.96 1.04 -1.26 -5.01 113.70 114.30 1x0p s SER 5017Ca 0.67 -1.42 -0.28 0.00 0.48 0.00 0.00 55.95 55.40 1x0p s SER 5017Cb -0.64 -0.18 -0.04 0.00 0.10 0.00 0.00 66.02 65.26 1x0p s SER 5017CO 0.51 -0.55 1.59 0.22 0.98 0.00 0.00 173.24 175.99 1x0p h TYR 5018N 1.80 -1.13 -0.30 5.02 3.20 -2.00 0.18 116.97 123.74 1x0p h TYR 5018Ca -0.43 0.05 0.09 0.00 3.14 0.00 0.00 58.73 61.58 1x0p h TYR 5018Cb 1.25 0.52 -0.01 0.00 1.54 0.00 0.00 36.73 40.03 1x0p h TYR 5018CO 0.82 -0.45 0.28 -1.00 -1.64 0.00 0.00 178.16 176.17 1x0p h PRO 5019N -0.45 0.00 -0.19 1.82 0.13 -1.99 0.48 132.00 131.80 1x0p h PRO 5019Ca 0.09 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.18 1x0p h PRO 5019Cb 0.60 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 1x0p h PRO 5019CO -0.41 0.00 -0.02 -0.44 -0.23 0.00 0.00 178.00 176.90 1x0p h ASP 5020N 0.00 0.35 -0.49 1.44 3.32 -1.08 -1.83 116.42 118.12 1x0p h ASP 5020Ca 0.14 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 1x0p h ASP 5020Cb 0.71 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 1x0p h ASP 5020CO -0.00 0.60 0.28 -0.07 -1.72 0.00 0.00 179.24 178.33 1x0p h LEU 5021N 0.09 0.60 -1.17 1.55 3.38 -0.09 -2.27 115.31 117.40 1x0p h LEU 5021Ca 0.05 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1x0p h LEU 5021Cb 0.44 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1x0p h LEU 5021CO 0.01 0.50 0.49 0.03 0.09 0.00 0.00 178.44 179.56 1x0p h ARG 5022N 0.66 1.05 -0.55 1.13 2.47 -1.12 -1.46 114.38 116.56 1x0p h ARG 5022Ca 0.18 -0.08 -0.08 0.00 -1.26 0.00 0.00 59.98 58.74 1x0p h ARG 5022Cb 0.02 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.09 1x0p h ARG 5022CO -0.03 0.72 0.04 0.22 0.56 0.00 0.00 179.97 181.48 1x0p h ASP 5023N 1.07 0.88 0.19 7.04 -0.00 -1.02 -1.33 116.42 123.24 1x0p h ASP 5023Ca 0.28 -0.21 -0.01 0.00 -0.00 0.00 0.00 57.03 57.09 1x0p h ASP 5023Cb -0.07 -0.23 0.00 0.00 -0.00 0.00 0.00 39.33 39.03 1x0p h ASP 5023CO -0.06 0.92 -0.09 0.40 -0.00 0.00 0.00 179.24 180.41 1x0p h ILE 5024N 0.85 0.90 -0.13 2.25 2.04 -0.76 -2.27 117.51 120.40 1x0p h ILE 5024Ca 0.17 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.63 1x0p h ILE 5024Cb 0.45 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 1x0p h ILE 5024CO 0.02 0.10 -0.07 -0.03 0.00 0.00 0.00 178.15 178.16 1x0p h MET 5025N -0.46 -0.06 -0.44 2.37 4.05 -1.15 0.42 114.93 119.65 1x0p h MET 5025Ca -0.03 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.43 1x0p h MET 5025Cb 0.35 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.13 1x0p h MET 5025CO 0.04 -0.04 0.24 0.00 0.23 0.00 0.00 176.91 177.38 1x0p h ALA 5026N 1.05 0.56 -0.45 0.39 0.00 -1.26 0.35 119.26 119.89 1x0p h ALA 5026Ca 0.08 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1x0p h ALA 5026Cb 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1x0p h ALA 5026CO -0.17 -0.10 -0.22 0.87 0.00 0.00 0.00 179.25 179.63 1x0p h LYS 5027N 0.48 0.94 -0.68 0.00 1.79 -1.26 -2.94 116.57 114.89 1x0p h LYS 5027Ca 0.19 -0.41 -0.03 0.00 -2.18 0.00 0.00 60.65 58.21 1x0p h LYS 5027Cb 0.06 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.65 1x0p h LYS 5027CO -0.11 1.08 0.32 0.77 -1.08 0.00 0.00 179.45 180.42 1x0p h SER 5028N 0.78 0.90 -0.52 0.86 0.02 -0.51 -1.90 113.55 113.19 1x0p h SER 5028Ca 0.10 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1x0p h SER 5028Cb 0.79 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 1x0p h SER 5028CO 0.07 0.79 0.31 -0.33 -1.14 0.00 0.00 176.83 176.53 1x0p h GLU 5029N 0.95 0.71 0.52 3.45 5.08 -0.93 0.17 114.58 124.54 1x0p h GLU 5029Ca 0.23 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1x0p h GLU 5029Cb 0.14 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1x0p h GLU 5029CO -0.03 0.52 -0.29 0.28 -1.00 0.00 0.00 179.01 178.49 1x0p h VAL 5030N 0.69 0.39 -0.30 3.13 2.07 -1.32 0.49 116.25 121.41 1x0p h VAL 5030Ca 0.19 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 1x0p h VAL 5030Cb -0.00 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1x0p h VAL 5030CO -0.03 0.00 0.14 0.78 0.02 0.00 0.00 177.57 178.47 1x0p h ASN 5031N -0.76 0.40 -0.70 0.57 2.35 -1.24 -2.14 115.58 114.05 1x0p h ASN 5031Ca -0.06 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.54 1x0p h ASN 5031Cb 0.61 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.84 1x0p h ASN 5031CO 0.08 0.43 0.40 0.78 -1.65 0.00 0.00 177.43 177.47 1x0p h ASN 5032N 0.35 0.87 -0.46 5.81 4.21 -0.61 -0.14 115.58 125.61 1x0p h ASN 5032Ca 0.10 -0.09 0.03 0.00 1.21 0.00 0.00 56.30 57.55 1x0p h ASN 5032Cb 0.14 -0.22 -0.03 0.00 -1.12 0.00 0.00 38.32 37.09 1x0p h ASN 5032CO -0.01 0.71 0.26 0.25 -1.29 0.00 0.00 177.43 177.34 1x0p h LEU 5033N 0.97 0.40 -1.14 1.61 6.46 -0.79 0.12 115.31 122.94 1x0p h LEU 5033Ca 0.25 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 58.02 1x0p h LEU 5033Cb 0.02 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 39.84 1x0p h LEU 5033CO -0.04 0.29 0.51 -0.09 -0.62 0.00 0.00 178.44 178.48 1x0p h ARG 5034N 0.52 1.10 -0.30 1.25 2.43 -0.74 -3.01 114.38 115.62 1x0p h ARG 5034Ca 0.19 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1x0p h ARG 5034Cb 0.05 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1x0p h ARG 5034CO -0.10 0.75 0.00 -0.25 -1.51 0.00 0.00 179.97 178.86 1x0p n ASP 5035N -4.39 2.66 -0.69 -3.80 8.00 -0.13 -4.93 116.55 113.27 1x0p n ASP 5035Ca 0.09 -1.88 -0.08 0.00 0.71 0.00 0.00 54.79 53.63 1x0p n ASP 5035Cb 0.05 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.12 40.93 1x0p n ASP 5035CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x0p n GLY 5036N 1.33 0.84 3.88 0.44 0.00 -0.24 -4.74 105.19 106.71 1x0p n GLY 5036Ca 0.18 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 1x0p n GLY 5036CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x0p s ILE 5037N -2.33 5.32 0.21 -0.61 1.01 0.24 -4.65 121.20 120.40 1x0p s ILE 5037Ca 0.00 0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.91 1x0p s ILE 5037Cb 0.00 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 1x0p s ILE 5037CO 0.00 0.43 -0.01 0.42 0.00 0.00 0.00 174.94 175.78 1x0p s THR 5038N -1.23 0.99 -3.96 2.92 -4.23 -0.59 -4.24 115.64 105.29 1x0p s THR 5038Ca 0.25 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 1x0p s THR 5038Cb -0.13 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.44 1x0p s THR 5038CO 0.14 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 1x0p n GLY 5039N -0.37 -1.20 3.22 3.99 0.00 -0.33 -0.31 105.19 110.19 1x0p n GLY 5039Ca -0.06 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 1x0p n GLY 5039CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1x0p s MET 5040N -1.58 0.64 -0.22 1.61 -2.45 -0.94 -3.24 119.30 113.11 1x0p s MET 5040Ca 0.00 -0.19 0.02 0.00 -1.25 0.00 0.00 55.69 54.27 1x0p s MET 5040Cb 0.00 0.28 0.04 0.00 1.25 0.00 0.00 34.83 36.40 1x0p s MET 5040CO 0.00 -0.17 -0.13 -1.17 1.05 0.00 0.00 175.02 174.60 1x0p s LEU 5041N -1.28 2.65 -0.14 4.11 0.20 -0.40 -1.78 118.68 122.03 1x0p s LEU 5041Ca -0.13 -1.00 -0.13 0.00 0.69 0.00 0.00 54.13 53.56 1x0p s LEU 5041Cb -0.05 -1.41 -0.05 0.00 -0.43 0.00 0.00 46.19 44.25 1x0p s LEU 5041CO 0.04 -0.12 0.27 0.00 -0.29 0.00 0.00 176.35 176.25 1x0p s TYR 5043N 0.11 1.50 -0.25 0.00 5.04 -0.21 -1.50 117.35 122.04 1x0p s TYR 5043Ca 0.16 -0.60 -0.27 0.00 -2.44 0.00 0.00 57.07 53.92 1x0p s TYR 5043Cb -0.13 -1.12 0.16 0.00 0.35 0.00 0.00 41.96 41.21 1x0p s TYR 5043CO 0.04 -0.33 1.19 0.20 -1.34 0.00 0.00 175.55 175.31 1x0p s GLY 5044N 0.87 -0.01 -1.55 8.97 0.00 -0.90 -1.31 107.32 113.39 1x0p s GLY 5044Ca -0.11 2.73 -0.14 0.00 0.00 0.00 0.00 44.72 47.21 1x0p s GLY 5044CO 0.01 1.47 0.94 -2.01 0.00 0.00 0.00 173.10 173.51 1x0p n ASN 5045N 1.26 -4.42 -0.45 1.64 5.15 -1.26 -1.04 115.26 116.14 1x0p n ASN 5045Ca -0.09 -0.81 -0.06 0.00 -0.60 0.00 0.00 54.58 53.02 1x0p n ASN 5045Cb 0.57 -3.73 -0.03 0.00 -0.53 0.00 0.00 39.78 36.07 1x0p n ASN 5045CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1x0p n GLY 5046N -1.66 0.72 3.39 8.20 0.00 -1.26 -4.99 105.19 109.58 1x0p n GLY 5046Ca 0.03 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 1x0p n GLY 5046CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x0p s MET 5047N -2.09 1.40 -0.07 1.61 -1.94 -0.21 -1.32 119.30 116.67 1x0p s MET 5047Ca 0.00 -1.39 0.03 0.00 -1.71 0.00 0.00 55.69 52.61 1x0p s MET 5047Cb 0.00 -1.78 -0.02 0.00 2.01 0.00 0.00 34.83 35.04 1x0p s MET 5047CO 0.00 0.40 -0.15 -0.06 -0.01 0.00 0.00 175.02 175.20 1x0p s PHE 5048N -1.35 2.71 -0.17 -0.03 2.99 0.15 -2.13 117.98 120.15 1x0p s PHE 5048Ca 0.16 -0.36 -0.03 0.00 0.00 0.00 0.00 56.93 56.69 1x0p s PHE 5048Cb -0.09 -1.69 0.06 0.00 0.00 0.00 0.00 43.02 41.29 1x0p s PHE 5048CO 0.07 0.02 0.05 -1.17 -0.00 0.00 0.00 175.22 174.20 1x0p s LEU 5049N -0.34 0.78 0.09 -0.37 2.96 -0.56 -0.96 118.68 120.27 1x0p s LEU 5049Ca 0.03 -0.64 0.08 0.00 -0.22 0.00 0.00 54.13 53.38 1x0p s LEU 5049Cb -0.13 -0.43 -0.03 0.00 0.50 0.00 0.00 46.19 46.10 1x0p s LEU 5049CO 0.02 -0.31 -0.21 -1.58 -1.32 0.00 0.00 176.35 172.95 1x0p s GLN 5050N 1.98 1.22 -0.02 1.98 0.74 -0.62 -0.55 119.66 124.40 1x0p s GLN 5050Ca 0.01 -1.11 0.04 0.00 0.05 0.00 0.00 55.36 54.36 1x0p s GLN 5050Cb -0.16 -1.45 -0.01 0.00 1.10 0.00 0.00 33.01 32.49 1x0p s GLN 5050CO -0.08 0.35 -0.15 -0.08 -0.55 0.00 0.00 175.29 174.78 1x0p s THR 5051N -1.05 1.17 -0.02 -0.34 -1.32 -0.73 -2.20 115.64 111.14 1x0p s THR 5051Ca 0.07 -0.62 0.03 0.00 -1.21 0.00 0.00 61.69 59.97 1x0p s THR 5051Cb -0.10 -0.98 -0.00 0.00 -1.51 0.00 0.00 72.50 69.91 1x0p s THR 5051CO 0.04 0.33 -0.12 -0.76 -2.21 0.00 0.00 174.62 171.90 1x0p s LEU 5052N -0.24 1.89 0.03 9.08 1.43 -0.29 -2.22 118.68 128.35 1x0p s LEU 5052Ca 0.03 -0.23 0.07 0.00 -1.03 0.00 0.00 54.13 52.97 1x0p s LEU 5052Cb -0.07 -0.67 -0.02 0.00 0.03 0.00 0.00 46.19 45.46 1x0p s LEU 5052CO -0.00 0.11 -0.20 -1.61 0.23 0.00 0.00 176.35 174.88 1x0p s GLU 5053N 0.01 1.44 0.00 1.70 2.02 0.58 -0.20 118.70 124.24 1x0p s GLU 5053Ca -0.01 -0.87 0.00 0.00 0.02 0.00 0.00 54.97 54.11 1x0p s GLU 5053Cb -0.08 -1.50 0.00 0.00 0.10 0.00 0.00 34.13 32.65 1x0p s GLU 5053CO 0.00 0.39 0.00 0.41 0.02 0.00 0.00 175.26 176.09 1x0p n GLY 5054N 2.06 -0.11 3.75 -1.39 0.00 -0.18 -1.55 105.19 107.77 1x0p n GLY 5054Ca -0.17 -1.25 -0.38 0.00 0.00 0.00 0.00 46.02 44.22 1x0p n GLY 5054CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x0p s ASP 5055N -4.00 5.25 0.15 1.61 -1.08 -1.26 -0.31 116.67 117.03 1x0p s ASP 5055Ca 0.00 2.66 -0.16 0.00 -0.52 0.00 0.00 52.55 54.53 1x0p s ASP 5055Cb 0.00 -2.63 0.01 0.00 -1.46 0.00 0.00 42.92 38.85 1x0p s ASP 5055CO 0.00 -1.57 1.74 -0.09 0.52 0.00 0.00 175.17 175.77 1x0p h ARG 5056N 1.32 0.60 0.04 4.34 2.43 -1.93 -1.10 114.38 120.08 1x0p h ARG 5056Ca -0.51 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 58.59 1x0p h ARG 5056Cb 1.30 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1x0p h ARG 5056CO 0.57 0.49 -0.02 0.37 -1.51 0.00 0.00 179.97 179.86 1x0p h GLN 5057N 0.55 -0.06 0.28 0.20 4.15 -1.92 -2.74 115.11 115.58 1x0p h GLN 5057Ca 0.15 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.56 1x0p h GLN 5057Cb 0.07 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.78 1x0p h GLN 5057CO -0.02 0.34 -0.14 0.87 -1.93 0.00 0.00 178.83 177.94 1x0p h LYS 5058N -0.46 -0.38 -0.91 1.69 1.79 -1.92 -1.25 116.57 115.12 1x0p h LYS 5058Ca -0.01 0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.53 1x0p h LYS 5058Cb 0.42 0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 31.10 1x0p h LYS 5058CO 0.01 -0.25 0.60 0.28 -1.08 0.00 0.00 179.45 179.01 1x0p h VAL 5059N -0.39 1.13 -0.32 0.50 2.07 -1.30 0.10 116.25 118.04 1x0p h VAL 5059Ca -0.04 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1x0p h VAL 5059Cb 0.30 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1x0p h VAL 5059CO 0.06 0.20 0.13 0.28 0.02 0.00 0.00 177.57 178.26 1x0p h SER 5060N 1.12 0.44 -0.50 0.57 0.02 -1.26 -1.32 113.55 112.61 1x0p h SER 5060Ca 0.37 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 61.09 1x0p h SER 5060Cb 0.07 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 1x0p h SER 5060CO -0.12 0.49 0.08 -0.33 -1.14 0.00 0.00 176.83 175.81 1x0p h GLU 5061N 0.37 0.89 -0.53 3.45 5.08 -0.65 -1.47 114.58 121.72 1x0p h GLU 5061Ca 0.11 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1x0p h GLU 5061Cb 0.18 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1x0p h GLU 5061CO -0.01 0.83 0.23 1.15 -1.00 0.00 0.00 179.01 180.22 1x0p h THR 5062N 0.84 1.21 -0.77 1.13 2.02 -0.75 -2.02 112.91 114.57 1x0p h THR 5062Ca 0.17 -0.62 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 1x0p h THR 5062Cb 0.38 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 1x0p h THR 5062CO 0.01 0.24 0.40 0.22 0.37 0.00 0.00 175.52 176.76 1x0p h TYR 5063N 0.71 1.06 -0.39 3.16 3.20 -0.81 -0.05 116.97 123.85 1x0p h TYR 5063Ca 0.18 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.04 1x0p h TYR 5063Cb 0.16 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.06 1x0p h TYR 5063CO 0.00 0.75 0.21 0.00 -1.64 0.00 0.00 178.16 177.48 1x0p h ALA 5064N 1.36 0.49 -0.33 1.82 0.00 -0.78 -0.75 119.26 121.07 1x0p h ALA 5064Ca 0.27 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1x0p h ALA 5064Cb 0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1x0p h ALA 5064CO -0.04 -0.14 0.16 0.00 0.00 0.00 0.00 179.25 179.22 1x0p h ARG 5065N 0.42 0.47 -0.83 0.00 3.08 -0.89 -2.76 114.38 113.88 1x0p h ARG 5065Ca 0.16 -0.07 0.09 0.00 0.07 0.00 0.00 59.98 60.23 1x0p h ARG 5065Cb 0.05 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 29.96 1x0p h ARG 5065CO -0.10 0.44 0.54 0.82 -1.07 0.00 0.00 179.97 180.60 1x0p h ILE 5066N 0.40 0.97 0.00 2.04 2.04 -0.43 -0.44 117.51 122.08 1x0p h ILE 5066Ca 0.11 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 1x0p h ILE 5066Cb 0.12 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.29 1x0p h ILE 5066CO -0.01 0.15 -0.08 -0.07 0.00 0.00 0.00 178.15 178.13 1x0p h LEU 5067N 0.81 0.00 0.00 1.44 3.38 -0.85 -2.24 115.31 117.85 1x0p h LEU 5067Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1x0p h LEU 5067Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1x0p h LEU 5067CO -0.15 0.08 -0.09 0.29 0.09 0.00 0.00 178.44 178.66 1x0p n LYS 5068N -3.48 0.18 -2.22 1.13 5.02 -0.18 -4.82 118.16 113.79 1x0p n LYS 5068Ca -0.02 0.13 -0.43 0.00 -2.02 0.00 0.00 58.31 55.98 1x0p n LYS 5068Cb 0.22 -1.70 -0.02 0.00 -0.02 0.00 0.00 35.03 33.50 1x0p n LYS 5068CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1x0p s ASP 5069N -4.02 6.40 0.00 4.39 -1.08 -0.84 -4.89 116.67 116.63 1x0p s ASP 5069Ca 0.11 1.34 0.11 0.00 -0.52 0.00 0.00 52.55 53.60 1x0p s ASP 5069Cb 0.14 -2.53 0.51 0.00 -1.46 0.00 0.00 42.92 39.58 1x0p s ASP 5069CO 0.60 -1.29 1.32 -0.81 0.52 0.00 0.00 175.17 175.52 1x0p n PRO 5070N 7.72 0.05 0.00 4.34 -0.04 -1.26 -3.00 135.00 142.81 1x0p n PRO 5070Ca 0.18 0.27 0.07 0.00 -0.04 0.00 0.00 63.50 63.98 1x0p n PRO 5070Cb 0.46 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.80 1x0p n PRO 5070CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1x0p n ARG 5071N -1.43 0.23 -4.01 0.54 1.74 -1.26 -4.71 116.66 107.76 1x0p n ARG 5071Ca 0.04 0.13 -0.10 0.00 -0.77 0.00 0.00 57.85 57.15 1x0p n ARG 5071Cb 0.12 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.01 1x0p n ARG 5071CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 1x0p s HIS 5072N -2.52 0.48 0.35 -1.55 -3.43 -1.16 -0.73 115.29 106.73 1x0p s HIS 5072Ca 0.15 -0.84 -0.17 0.00 -0.80 0.00 0.00 55.06 53.41 1x0p s HIS 5072Cb 0.10 0.15 0.04 0.00 -1.43 0.00 0.00 32.58 31.44 1x0p s HIS 5072CO 0.22 -1.03 0.76 -3.38 -2.00 0.00 0.00 174.74 169.31 1x0p s HIS 5073N -3.81 0.08 -1.43 0.38 -3.43 0.12 -4.79 115.29 102.41 1x0p s HIS 5073Ca 0.24 -0.68 -0.08 0.00 -0.80 0.00 0.00 55.06 53.74 1x0p s HIS 5073Cb -0.01 0.76 0.05 0.00 -1.43 0.00 0.00 32.58 31.95 1x0p s HIS 5073CO 0.11 -1.46 0.91 0.43 -2.00 0.00 0.00 174.74 172.72 1x0p n SER 5074N -1.15 -3.59 -4.77 7.38 7.64 -1.26 -0.80 113.62 117.07 1x0p n SER 5074Ca -0.07 -0.76 -0.39 0.00 1.01 0.00 0.00 58.87 58.66 1x0p n SER 5074Cb 0.60 -4.10 -0.02 0.00 -1.01 0.00 0.00 64.21 59.68 1x0p n SER 5074CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x0p s ALA 5075N -3.44 3.21 -0.02 -0.43 0.00 -1.26 -4.33 121.76 115.49 1x0p s ALA 5075Ca 0.40 1.03 0.01 0.00 0.00 0.00 0.00 51.96 53.39 1x0p s ALA 5075Cb -0.20 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.54 1x0p s ALA 5075CO 0.81 -0.57 -0.01 -1.21 0.00 0.00 0.00 175.76 174.79 1x0p s GLU 5076N -2.21 0.28 0.16 0.00 2.02 0.38 -4.98 118.70 114.36 1x0p s GLU 5076Ca 0.56 0.02 -0.30 0.00 0.02 0.00 0.00 54.97 55.27 1x0p s GLU 5076Cb -0.33 -0.41 -0.07 0.00 0.10 0.00 0.00 34.13 33.43 1x0p s GLU 5076CO 0.41 -0.08 1.07 0.42 0.02 0.00 0.00 175.26 177.10 1x0p s ILE 5077N 0.70 4.01 -0.24 -1.63 1.01 -1.26 -0.78 121.20 123.02 1x0p s ILE 5077Ca -0.07 1.72 -0.00 0.00 0.00 0.00 0.00 60.65 62.30 1x0p s ILE 5077Cb -0.10 -4.10 -0.15 0.00 0.01 0.00 0.00 42.46 38.12 1x0p s ILE 5077CO -0.01 0.29 -0.23 0.52 0.00 0.00 0.00 174.94 175.51 1x0p n VAL 5078N 2.46 1.36 -3.53 2.92 0.31 0.18 -4.90 118.33 117.13 1x0p n VAL 5078Ca 0.03 -0.49 -0.13 0.00 -0.01 0.00 0.00 64.34 63.73 1x0p n VAL 5078Cb 0.47 -1.41 -0.05 0.00 -0.91 0.00 0.00 33.84 31.95 1x0p n VAL 5078CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1x0p s GLU 5079N -2.47 0.85 -0.22 5.55 2.12 -0.39 -4.65 118.70 119.48 1x0p s GLU 5079Ca -0.32 0.06 -0.04 0.00 0.36 0.00 0.00 54.97 55.02 1x0p s GLU 5079Cb 0.09 0.40 0.12 0.00 0.26 0.00 0.00 34.13 34.99 1x0p s GLU 5079CO 0.53 -0.29 0.40 0.12 -0.54 0.00 0.00 175.26 175.47 1x0p s PHE 5080N -1.70 -0.83 0.19 5.30 5.36 -1.26 -0.84 117.98 124.21 1x0p s PHE 5080Ca -0.03 1.13 -0.16 0.00 -0.96 0.00 0.00 56.93 56.90 1x0p s PHE 5080Cb -0.00 0.14 0.02 0.00 -0.34 0.00 0.00 43.02 42.84 1x0p s PHE 5080CO 0.01 -0.62 0.48 -1.59 -1.46 0.00 0.00 175.22 172.04 1x0p s LYS 5081N 2.58 1.33 0.53 10.12 -2.85 -0.90 -5.00 119.74 125.55 1x0p s LYS 5081Ca 0.07 -0.91 -0.17 0.00 -1.00 0.00 0.00 55.97 53.96 1x0p s LYS 5081Cb -0.14 0.50 -0.07 0.00 -2.06 0.00 0.00 37.83 36.06 1x0p s LYS 5081CO -0.15 -0.55 1.02 0.00 0.10 0.00 0.00 175.35 175.77 1x0p s ALA 5082N -3.88 2.91 0.02 0.59 0.00 -1.26 -0.76 121.76 119.37 1x0p s ALA 5082Ca 0.10 0.35 -0.01 0.00 0.00 0.00 0.00 51.96 52.40 1x0p s ALA 5082Cb -0.00 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 1x0p s ALA 5082CO -0.03 -0.44 -0.01 0.96 0.00 0.00 0.00 175.76 176.24 1x0p s ILE 5083N -2.42 0.10 0.06 0.00 -4.36 -0.52 -4.81 121.20 109.25 1x0p s ILE 5083Ca 0.62 -0.86 -0.16 0.00 -0.26 0.00 0.00 60.65 59.99 1x0p s ILE 5083Cb -0.13 -0.27 -0.21 0.00 1.25 0.00 0.00 42.46 43.10 1x0p s ILE 5083CO 0.30 -0.47 1.20 -0.08 0.24 0.00 0.00 174.94 176.13 1x0p h GLU 5084N 4.65 0.63 -3.50 0.37 4.22 -1.98 -3.42 114.58 115.55 1x0p h GLU 5084Ca -0.32 -0.61 -0.11 0.00 0.08 0.00 0.00 59.36 58.41 1x0p h GLU 5084Cb 1.21 0.16 -0.18 0.00 0.50 0.00 0.00 28.75 30.44 1x0p h GLU 5084CO 0.41 1.22 -0.37 -1.83 -2.18 0.00 0.00 179.01 176.25 1x0p s GLU 5085N -3.44 0.70 0.61 1.92 -1.05 -1.26 -5.04 118.70 111.13 1x0p s GLU 5085Ca -0.11 -0.59 -0.14 0.00 -0.15 0.00 0.00 54.97 53.99 1x0p s GLU 5085Cb 0.06 0.29 -0.03 0.00 -0.44 0.00 0.00 34.13 34.01 1x0p s GLU 5085CO 0.88 -0.20 1.04 1.03 0.95 0.00 0.00 175.26 178.95 1x0p s ARG 5086N -2.45 3.42 -0.15 -4.83 0.52 -1.26 -4.99 118.95 109.20 1x0p s ARG 5086Ca -0.06 0.98 -0.02 0.00 -0.52 0.00 0.00 55.73 56.12 1x0p s ARG 5086Cb -0.02 -2.05 -0.09 0.00 0.52 0.00 0.00 34.95 33.31 1x0p s ARG 5086CO -0.03 -0.71 -0.15 2.41 0.02 0.00 0.00 175.30 176.83 1x0p n THR 5087N -2.37 0.86 -2.51 0.02 -1.04 -1.26 -4.74 114.28 103.24 1x0p n THR 5087Ca 0.07 -0.29 -0.42 0.00 -2.04 0.00 0.00 64.05 61.37 1x0p n THR 5087Cb 0.54 -1.24 0.01 0.00 -1.82 0.00 0.00 70.33 67.81 1x0p n THR 5087CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1x0p n PHE 5088N -3.18 2.65 -0.03 -1.42 3.01 -1.26 -4.76 117.46 112.48 1x0p n PHE 5088Ca -0.28 -2.71 -0.15 0.00 1.01 0.00 0.00 57.45 55.32 1x0p n PHE 5088Cb 0.76 -1.67 -0.11 0.00 -0.01 0.00 0.00 39.48 38.45 1x0p n PHE 5088CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1x0p h ILE 5089N 3.39 1.54 0.00 4.37 2.04 -1.95 -3.30 117.51 123.60 1x0p h ILE 5089Ca 0.39 -1.89 -0.02 0.00 1.00 0.00 0.00 64.86 64.34 1x0p h ILE 5089Cb 0.56 2.72 -0.00 0.00 -0.74 0.00 0.00 36.82 39.36 1x0p h ILE 5089CO 1.50 0.51 -0.10 0.78 0.00 0.00 0.00 178.15 180.84 1x0p h ASN 5090N -0.51 0.00 -3.84 1.72 2.35 -1.97 -3.45 115.58 109.89 1x0p h ASN 5090Ca -0.02 0.00 -0.68 0.00 -0.55 0.00 0.00 56.30 55.04 1x0p h ASN 5090Cb 0.96 0.00 -0.30 0.00 0.05 0.00 0.00 38.32 39.03 1x0p h ASN 5090CO 0.04 0.10 -0.85 0.26 -1.65 0.00 0.00 177.43 175.33 1x0p s TRP 5091N -4.41 2.53 0.22 1.19 0.51 -1.26 -4.98 118.94 112.74 1x0p s TRP 5091Ca -0.04 -0.69 -0.08 0.00 -2.12 0.00 0.00 56.10 53.18 1x0p s TRP 5091Cb 0.14 -1.65 0.17 0.00 -0.81 0.00 0.00 33.47 31.32 1x0p s TRP 5091CO 0.60 -0.19 1.80 0.77 -0.51 0.00 0.00 176.95 179.42 1x0p h SER 5092N 6.15 1.10 -0.03 2.95 0.02 -1.81 -0.85 113.55 121.07 1x0p h SER 5092Ca -0.31 -0.15 0.20 0.00 -0.84 0.00 0.00 61.79 60.69 1x0p h SER 5092Cb 1.19 -0.28 -0.17 0.00 0.14 0.00 0.00 62.40 63.27 1x0p h SER 5092CO 0.49 0.94 0.01 -0.32 -1.14 0.00 0.00 176.83 176.80 1x0p s MET 5093N -5.65 0.02 -0.08 3.45 -2.45 -1.25 -3.02 119.30 110.32 1x0p s MET 5093Ca -0.12 -0.00 -0.02 0.00 -1.25 0.00 0.00 55.69 54.29 1x0p s MET 5093Cb 0.16 0.00 -0.03 0.00 1.25 0.00 0.00 34.83 36.21 1x0p s MET 5093CO 0.83 -0.03 0.02 0.50 1.05 0.00 0.00 175.02 177.40 1x0p s ARG 5094N 2.29 3.03 0.06 4.11 3.52 -1.20 -4.53 118.95 126.23 1x0p s ARG 5094Ca 0.20 -0.39 -0.24 0.00 -0.13 0.00 0.00 55.73 55.17 1x0p s ARG 5094Cb 0.04 -2.83 -0.06 0.00 -1.56 0.00 0.00 34.95 30.53 1x0p s ARG 5094CO -0.18 0.70 0.72 -1.17 -0.81 0.00 0.00 175.30 174.56 1x0p s LEU 5095N -1.00 4.47 -0.20 -0.88 2.96 -1.26 -1.28 118.68 121.49 1x0p s LEU 5095Ca 0.15 1.42 0.00 0.00 -0.22 0.00 0.00 54.13 55.48 1x0p s LEU 5095Cb -0.11 -3.17 0.05 0.00 0.50 0.00 0.00 46.19 43.46 1x0p s LEU 5095CO 0.04 0.08 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.40 1x0p s VAL 5096N -0.34 1.35 -0.31 1.68 1.01 0.12 -4.92 120.40 118.99 1x0p s VAL 5096Ca 0.36 -0.92 -0.15 0.00 0.00 0.00 0.00 61.98 61.27 1x0p s VAL 5096Cb -0.20 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1x0p s VAL 5096CO 0.22 0.04 0.34 -1.10 0.00 0.00 0.00 175.10 174.61 1x0p s GLN 5097N 1.51 3.77 0.26 2.72 -0.21 -1.26 -1.04 119.66 125.40 1x0p s GLN 5097Ca -0.02 -0.25 -0.04 0.00 0.02 0.00 0.00 55.36 55.07 1x0p s GLN 5097Cb -0.17 -3.73 0.34 0.00 1.00 0.00 0.00 33.01 30.45 1x0p s GLN 5097CO -0.07 -0.40 1.91 -0.07 -2.12 0.00 0.00 175.29 174.54 1x0p h LEU 5098N 8.65 1.10 -1.82 2.90 3.38 -1.61 -1.63 115.31 126.28 1x0p h LEU 5098Ca -0.31 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1x0p h LEU 5098Cb 1.16 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1x0p h LEU 5098CO 0.66 0.75 0.00 1.23 0.09 0.00 0.00 178.44 181.17 1x0p h GLY 5099N 1.27 0.00 0.83 0.83 0.00 -1.93 -1.18 103.07 102.89 1x0p h GLY 5099Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1x0p h GLY 5099CO -0.13 0.00 -0.74 1.18 0.00 0.00 0.00 176.54 176.85 1x0p n GLU 5100N -2.48 0.17 -2.60 4.80 1.02 -0.61 -4.95 120.64 115.98 1x0p n GLU 5100Ca -0.02 0.02 -0.21 0.00 -0.02 0.00 0.00 57.16 56.93 1x0p n GLU 5100Cb 0.05 -1.58 0.04 0.00 -0.02 0.00 0.00 31.44 29.94 1x0p n GLU 5100CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1x0p s MET 5101N -3.11 2.50 -0.17 3.49 -1.94 -0.45 -4.99 119.30 114.65 1x0p s MET 5101Ca 0.07 -0.75 -0.28 0.00 -1.71 0.00 0.00 55.69 53.02 1x0p s MET 5101Cb 0.15 -2.46 -0.06 0.00 2.01 0.00 0.00 34.83 34.47 1x0p s MET 5101CO 0.75 -0.76 2.16 0.34 -0.01 0.00 0.00 175.02 177.49 1x0p s ASP 5102N -4.44 5.68 0.31 3.03 -1.08 -1.26 -4.85 116.67 114.06 1x0p s ASP 5102Ca 0.58 2.05 0.06 0.00 -0.52 0.00 0.00 52.55 54.71 1x0p s ASP 5102Cb -0.10 -2.52 0.83 0.00 -1.46 0.00 0.00 42.92 39.67 1x0p s ASP 5102CO 0.39 -1.76 1.63 0.28 0.52 0.00 0.00 175.17 176.23 1x0p h SER 5103N 14.05 0.05 0.40 -0.34 0.02 -1.93 0.25 113.55 126.05 1x0p h SER 5103Ca -0.43 0.21 -0.11 0.00 -0.84 0.00 0.00 61.79 60.62 1x0p h SER 5103Cb 1.24 0.27 -0.01 0.00 0.14 0.00 0.00 62.40 64.04 1x0p h SER 5103CO 0.96 -0.20 -0.50 -0.78 -1.14 0.00 0.00 176.83 175.17 1x0p h ASP 5104N 0.19 0.13 -0.24 3.07 1.82 -2.00 -1.73 116.42 117.66 1x0p h ASP 5104Ca 0.61 -0.06 -0.17 0.00 -0.39 0.00 0.00 57.03 57.02 1x0p h ASP 5104Cb 1.31 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.29 1x0p h ASP 5104CO -0.69 0.60 -0.52 0.74 -1.61 0.00 0.00 179.24 177.77 1x0p h THR 5105N 0.09 1.30 -0.24 2.25 2.02 -0.93 -2.76 112.91 114.64 1x0p h THR 5105Ca 0.00 -1.72 -0.03 0.00 0.77 0.00 0.00 66.41 65.43 1x0p h THR 5105Cb 0.91 1.77 -0.01 0.00 -1.74 0.00 0.00 68.15 69.08 1x0p h THR 5105CO 0.07 0.55 0.02 0.40 0.37 0.00 0.00 175.52 176.93 1x0p h ILE 5106N 0.51 1.24 -0.44 3.11 2.04 -1.20 -1.84 117.51 120.93 1x0p h ILE 5106Ca 0.00 -0.83 0.06 0.00 1.00 0.00 0.00 64.86 65.09 1x0p h ILE 5106Cb 1.13 1.31 -0.05 0.00 -0.74 0.00 0.00 36.82 38.47 1x0p h ILE 5106CO 0.11 0.26 0.14 -0.09 0.00 0.00 0.00 178.15 178.58 1x0p h ARG 5107N 0.20 0.29 -0.22 2.37 2.43 -1.34 0.51 114.38 118.63 1x0p h ARG 5107Ca 0.07 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.10 1x0p h ARG 5107Cb 0.37 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1x0p h ARG 5107CO 0.01 0.19 -0.38 0.00 -1.51 0.00 0.00 179.97 178.28 1x0p h ARG 5108N 0.30 0.50 -0.26 0.20 3.08 -1.44 -1.06 114.38 115.70 1x0p h ARG 5108Ca 0.21 -0.24 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 1x0p h ARG 5108Cb 0.21 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1x0p h ARG 5108CO -0.22 0.80 -0.19 1.25 -1.07 0.00 0.00 179.97 180.54 1x0p h LEU 5109N 0.42 0.62 -0.95 3.04 5.85 -0.58 -1.05 115.31 122.66 1x0p h LEU 5109Ca 0.04 -0.44 -0.07 0.00 0.84 0.00 0.00 57.88 58.25 1x0p h LEU 5109Cb 0.85 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1x0p h LEU 5109CO 0.07 0.93 0.04 -0.09 -0.34 0.00 0.00 178.44 179.06 1x0p h ARG 5110N 0.31 0.81 -0.19 1.25 1.12 0.12 -2.63 114.38 115.18 1x0p h ARG 5110Ca 0.05 -0.20 -0.19 0.00 -1.11 0.00 0.00 59.98 58.53 1x0p h ARG 5110Cb 0.73 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.59 1x0p h ARG 5110CO 0.05 0.79 -0.64 -0.07 -3.11 0.00 0.00 179.97 176.99 1x0p h LEU 5111N 0.77 0.77 -1.05 3.80 3.38 -1.15 -2.45 115.31 119.38 1x0p h LEU 5111Ca 0.16 -0.45 0.09 0.00 0.09 0.00 0.00 57.88 57.76 1x0p h LEU 5111Cb 0.40 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 1x0p h LEU 5111CO 0.01 1.22 0.63 0.50 0.09 0.00 0.00 178.44 180.89 1x0p h LYS 5112N 0.49 1.04 -0.26 1.13 3.64 -0.83 -3.02 116.57 118.77 1x0p h LYS 5112Ca -0.01 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1x0p h LYS 5112Cb 1.23 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1x0p h LYS 5112CO 0.13 0.69 0.00 0.66 -2.27 0.00 0.00 179.45 178.65 1x0p n TYR 5113N -4.54 0.74 -3.51 1.91 4.02 -1.09 -5.03 117.16 109.66 1x0p n TYR 5113Ca 0.16 -0.78 -0.13 0.00 -0.01 0.00 0.00 57.90 57.15 1x0p n TYR 5113Cb 0.26 -0.23 -0.04 0.00 -0.02 0.00 0.00 39.34 39.31 1x0p n TYR 5113CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1x0p s SER 5114N -1.73 -0.47 0.00 7.72 1.04 -0.93 -4.78 113.70 114.56 1x0p s SER 5114Ca 0.36 0.02 0.21 0.00 0.48 0.00 0.00 55.95 57.02 1x0p s SER 5114Cb 0.27 0.54 0.55 0.00 0.10 0.00 0.00 66.02 67.48 1x0p s SER 5114CO 0.10 -0.86 1.45 -0.81 0.98 0.00 0.00 173.24 174.11 1x0p n PRO 5115N -0.06 2.17 -3.01 4.02 -0.04 -1.26 -4.52 135.00 132.29 1x0p n PRO 5115Ca -0.17 -1.77 -0.30 0.00 -0.04 0.00 0.00 63.50 61.22 1x0p n PRO 5115Cb 0.63 -1.45 -0.04 0.00 -0.04 0.00 0.00 33.50 32.60 1x0p n PRO 5115CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x0p s ALA 5116N -1.59 3.40 -0.95 0.55 0.00 -1.26 -4.98 121.76 116.93 1x0p s ALA 5116Ca 0.36 -0.22 0.28 0.00 0.00 0.00 0.00 51.96 52.37 1x0p s ALA 5116Cb 0.20 -2.63 0.99 0.00 0.00 0.00 0.00 23.12 21.68 1x0p s ALA 5116CO 0.28 0.12 1.78 0.00 0.00 0.00 0.00 175.76 177.94 1x0p n ALA 5117N -1.02 2.60 -2.51 0.00 0.00 -1.26 -4.74 120.51 113.58 1x0p n ALA 5117Ca 0.02 -0.15 -0.14 0.00 0.00 0.00 0.00 53.44 53.17 1x0p n ALA 5117Cb 0.54 -1.38 -0.07 0.00 0.00 0.00 0.00 19.45 18.53 1x0p n ALA 5117CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1x0p s THR 5118N -3.02 0.00 -0.33 0.00 -4.23 -1.26 -5.09 115.64 101.71 1x0p s THR 5118Ca 0.13 -1.83 -0.28 0.00 -1.18 0.00 0.00 61.69 58.52 1x0p s THR 5118Cb 0.18 -2.49 -0.02 0.00 1.34 0.00 0.00 72.50 71.51 1x0p s THR 5118CO 0.58 0.00 1.76 0.12 -0.54 0.00 0.00 174.62 176.54 1x0p s PHE 5119N -3.68 1.86 -0.40 3.99 5.36 -1.26 -4.91 117.98 118.95 1x0p s PHE 5119Ca 0.35 0.62 0.01 0.00 -0.96 0.00 0.00 56.93 56.95 1x0p s PHE 5119Cb 0.03 -4.14 0.14 0.00 -0.34 0.00 0.00 43.02 38.71 1x0p s PHE 5119CO 0.18 -2.89 0.24 -0.65 -1.46 0.00 0.00 175.22 170.64 1x0p s GLN 5120N 5.55 0.88 0.59 10.12 -0.21 -1.26 -4.82 119.66 130.52 1x0p s GLN 5120Ca 0.78 -1.69 0.29 0.00 0.02 0.00 0.00 55.36 54.77 1x0p s GLN 5120Cb -0.22 -1.72 1.74 0.00 1.00 0.00 0.00 33.01 33.81 1x0p s GLN 5120CO 0.34 -1.21 2.17 -1.00 -2.12 0.00 0.00 175.29 173.47 1x0p h PRO 5121N 6.74 0.00 0.00 2.91 0.13 -1.95 -1.76 132.00 138.08 1x0p h PRO 5121Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1x0p h PRO 5121Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1x0p h PRO 5121CO 0.36 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.13 1x0p h ARG 5122N 0.00 0.00 -0.27 0.86 3.08 -1.98 -2.21 114.38 113.86 1x0p h ARG 5122Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1x0p h ARG 5122Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1x0p h ARG 5122CO -0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.77 1x0p n SER 5123N -2.59 2.39 -4.69 7.04 3.41 -0.66 -4.92 113.62 113.60 1x0p n SER 5123Ca 0.01 -1.84 -0.31 0.00 -0.26 0.00 0.00 58.87 56.47 1x0p n SER 5123Cb 0.25 -0.17 -0.08 0.00 -0.26 0.00 0.00 64.21 63.94 1x0p n SER 5123CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1x0p s MET 5124N -1.65 2.68 0.87 4.33 -1.94 -0.83 -4.65 119.30 118.10 1x0p s MET 5124Ca 0.34 -0.72 -0.12 0.00 -1.71 0.00 0.00 55.69 53.48 1x0p s MET 5124Cb 0.19 -2.61 0.15 0.00 2.01 0.00 0.00 34.83 34.57 1x0p s MET 5124CO 0.28 0.58 1.22 0.95 -0.01 0.00 0.00 175.02 178.04 1x0p s THR 5125N -1.20 2.05 0.17 2.05 -4.23 -1.26 -4.85 115.64 108.36 1x0p s THR 5125Ca 0.23 -0.09 -0.13 0.00 -1.18 0.00 0.00 61.69 60.52 1x0p s THR 5125Cb -0.12 -2.95 0.06 0.00 1.34 0.00 0.00 72.50 70.83 1x0p s THR 5125CO 0.14 0.00 1.72 0.00 -0.54 0.00 0.00 174.62 175.94 1x0p h ALA 5126N -1.26 0.73 -0.63 3.99 0.00 -1.98 -1.33 119.26 118.79 1x0p h ALA 5126Ca -0.44 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 1x0p h ALA 5126Cb 1.27 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1x0p h ALA 5126CO 0.48 0.35 0.19 1.49 0.00 0.00 0.00 179.25 181.75 1x0p h GLU 5127N 0.77 0.98 -0.49 0.00 4.57 -1.95 -0.79 114.58 117.67 1x0p h GLU 5127Ca 0.19 -0.21 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 1x0p h GLU 5127Cb 0.20 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 1x0p h GLU 5127CO -0.01 0.87 0.15 1.96 -1.18 0.00 0.00 179.01 180.79 1x0p h GLN 5128N 0.90 0.76 -0.61 1.92 4.20 -1.83 -1.14 115.11 119.31 1x0p h GLN 5128Ca 0.20 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1x0p h GLN 5128Cb 0.30 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 1x0p h GLN 5128CO -0.01 0.72 0.36 0.00 -0.67 0.00 0.00 178.83 179.23 1x0p h PHE 5130N 0.83 -0.12 -0.40 0.00 3.57 -0.96 -0.30 116.94 119.54 1x0p h PHE 5130Ca 0.22 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 1x0p h PHE 5130Cb -0.01 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 1x0p h PHE 5130CO -0.02 0.03 -0.02 0.00 -2.23 0.00 0.00 178.31 176.07 1x0p h ARG 5131N -0.25 0.65 0.21 1.11 3.08 -1.06 0.91 114.38 119.04 1x0p h ARG 5131Ca -0.01 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 1x0p h ARG 5131Cb 0.21 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1x0p h ARG 5131CO 0.02 0.69 -0.10 0.35 -1.07 0.00 0.00 179.97 179.86 1x0p h PHE 5132N 0.62 -0.26 -0.74 3.04 3.57 -0.51 -1.89 116.94 120.76 1x0p h PHE 5132Ca 0.12 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1x0p h PHE 5132Cb 0.41 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 1x0p h PHE 5132CO 0.02 -0.05 0.39 -0.07 -2.23 0.00 0.00 178.31 176.36 1x0p h LEU 5133N -0.43 0.93 -0.46 0.59 3.38 -0.73 -1.83 115.31 116.76 1x0p h LEU 5133Ca -0.03 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1x0p h LEU 5133Cb 0.33 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1x0p h LEU 5133CO 0.05 0.76 0.17 0.50 0.09 0.00 0.00 178.44 180.02 1x0p h LYS 5134N 1.04 0.70 -0.52 1.13 3.64 -0.68 0.11 116.57 121.99 1x0p h LYS 5134Ca 0.26 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1x0p h LYS 5134Cb 0.05 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1x0p h LYS 5134CO -0.04 0.64 0.09 0.93 -2.27 0.00 0.00 179.45 178.81 1x0p h GLU 5135N 0.60 0.86 -0.76 1.90 5.08 -1.13 0.26 114.58 121.39 1x0p h GLU 5135Ca 0.15 -0.23 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1x0p h GLU 5135Cb 0.21 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 1x0p h GLU 5135CO -0.01 0.84 0.48 1.25 -1.00 0.00 0.00 179.01 180.57 1x0p h LEU 5136N 0.75 0.79 -0.51 1.33 5.85 -1.06 -0.53 115.31 121.92 1x0p h LEU 5136Ca 0.16 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 1x0p h LEU 5136Cb 0.39 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1x0p h LEU 5136CO 0.01 0.55 -0.01 0.22 -0.34 0.00 0.00 178.44 178.86 1x0p h TYR 5137N 0.94 1.00 -0.42 1.25 3.20 -0.25 -2.79 116.97 119.90 1x0p h TYR 5137Ca 0.31 -0.18 -0.10 0.00 3.14 0.00 0.00 58.73 61.89 1x0p h TYR 5137Cb 0.02 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.02 1x0p h TYR 5137CO -0.03 0.93 -0.16 -0.44 -1.64 0.00 0.00 178.16 176.81 1x0p h ASP 5138N 0.78 0.80 -0.27 -2.11 3.32 0.19 -2.63 116.42 116.50 1x0p h ASP 5138Ca 0.14 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1x0p h ASP 5138Cb 0.54 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1x0p h ASP 5138CO 0.03 0.96 0.00 1.15 -1.72 0.00 0.00 179.24 179.66 1x0p n MET 5139N -4.14 1.71 -0.14 3.56 0.00 -0.27 -3.56 117.12 114.28 1x0p n MET 5139Ca 0.01 -0.99 0.09 0.00 0.00 0.00 0.00 57.70 56.80 1x0p n MET 5139Cb 0.40 -1.27 0.13 0.00 0.00 0.00 0.00 33.22 32.48 1x0p n MET 5139CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1x0p n SER 5140N 0.29 2.08 -0.54 3.17 7.64 -0.99 -4.61 113.62 120.65 1x0p n SER 5140Ca 0.09 -3.01 0.11 0.00 1.01 0.00 0.00 58.87 57.07 1x0p n SER 5140Cb 0.27 -0.41 0.39 0.00 -1.01 0.00 0.00 64.21 63.45 1x0p n SER 5140CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x0p n GLN 5141N -1.27 1.71 0.00 1.43 1.13 -1.22 -5.02 117.38 114.13 1x0p n GLN 5141Ca 0.14 -1.07 0.00 0.00 -1.94 0.00 0.00 57.00 54.13 1x0p n GLN 5141Cb 0.65 -1.40 0.00 0.00 0.11 0.00 0.00 30.24 29.60 1x0p n GLN 5141CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1x0p n GLY 5142N 1.13 1.10 0.00 1.08 0.00 -1.26 -5.18 105.19 102.06 1x0p n GLY 5142Ca 0.16 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1x0p n GLY 5142CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06