#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fwp s SER 5004N 0.00 -0.71 0.00 3.14 0.15 -1.26 -4.03 113.70 110.99 3fwp s SER 5004Ca 0.00 1.21 0.27 0.00 0.70 0.00 0.00 55.95 58.12 3fwp s SER 5004Cb 0.00 1.11 0.83 0.00 -1.71 0.00 0.00 66.02 66.25 3fwp s SER 5004CO 0.00 -0.21 1.61 0.47 1.20 0.00 0.00 173.24 176.31 3fwp n ASP 5005N 3.99 1.35 -4.16 5.45 8.00 0.15 -4.90 116.55 126.43 3fwp n ASP 5005Ca -0.20 -1.22 -0.13 0.00 0.71 0.00 0.00 54.79 53.95 3fwp n ASP 5005Cb 0.57 0.09 -0.11 0.00 -0.02 0.00 0.00 41.12 41.65 3fwp n ASP 5005CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3fwp s VAL 5006N -2.27 0.84 0.22 2.53 -7.23 -1.24 -5.04 120.40 108.22 3fwp s VAL 5006Ca 0.30 -1.62 -0.05 0.00 -1.81 0.00 0.00 61.98 58.80 3fwp s VAL 5006Cb 0.20 -1.32 0.08 0.00 0.56 0.00 0.00 36.38 35.90 3fwp s VAL 5006CO 0.43 -0.60 1.69 0.15 -0.31 0.00 0.00 175.10 176.47 3fwp h PHE 5007N 3.57 0.96 0.00 2.82 3.57 -1.95 -3.39 116.94 122.53 3fwp h PHE 5007Ca -0.37 -0.16 -0.14 0.00 3.53 0.00 0.00 57.97 60.83 3fwp h PHE 5007Cb 1.19 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.65 3fwp h PHE 5007CO 0.63 0.89 -1.53 0.72 -2.23 0.00 0.00 178.31 176.79 3fwp n HIS 5008N -4.18 0.00 0.23 0.41 8.25 -1.26 -4.77 115.22 113.90 3fwp n HIS 5008Ca 0.02 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.58 3fwp n HIS 5008Cb 0.35 -0.36 0.49 0.00 1.12 0.00 0.00 29.99 31.59 3fwp n HIS 5008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3fwp h LEU 5009N -0.01 0.00 -0.18 2.41 3.38 -1.93 -3.44 115.31 115.55 3fwp h LEU 5009Ca -0.21 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.53 3fwp h LEU 5009Cb 1.32 0.00 0.05 0.00 0.09 0.00 0.00 40.66 42.12 3fwp h LEU 5009CO -0.04 0.22 -0.36 0.61 0.09 0.00 0.00 178.44 178.96 3fwp n GLY 5010N 0.04 0.05 3.28 0.83 0.00 -1.26 -4.67 105.19 103.46 3fwp n GLY 5010Ca -0.00 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 3fwp n GLY 5010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fwp s LEU 5011N -4.21 2.37 0.31 0.99 1.43 -1.26 -4.70 118.68 113.60 3fwp s LEU 5011Ca 0.24 -0.77 0.09 0.00 -1.03 0.00 0.00 54.13 52.65 3fwp s LEU 5011Cb -0.10 -0.77 -0.04 0.00 0.03 0.00 0.00 46.19 45.31 3fwp s LEU 5011CO 0.29 -0.03 0.09 0.42 0.23 0.00 0.00 176.35 177.36 3fwp s THR 5012N -1.69 3.29 0.35 5.49 -4.23 -1.26 0.29 115.64 117.88 3fwp s THR 5012Ca 0.10 -1.76 0.08 0.00 -1.18 0.00 0.00 61.69 58.92 3fwp s THR 5012Cb -0.07 -2.96 0.31 0.00 1.34 0.00 0.00 72.50 71.12 3fwp s THR 5012CO 0.05 -0.27 1.88 0.11 -0.54 0.00 0.00 174.62 175.85 3fwp h LYS 5013N 1.67 0.72 -0.82 3.99 1.57 -1.96 -1.84 116.57 119.91 3fwp h LYS 5013Ca -0.44 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.36 3fwp h LYS 5013Cb 1.25 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 33.35 3fwp h LYS 5013CO 0.62 0.48 0.53 -0.97 -0.57 0.00 0.00 179.45 179.54 3fwp h ASN 5014N 0.74 0.77 -0.53 0.86 -1.24 -1.95 -2.06 115.58 112.18 3fwp h ASN 5014Ca 0.43 0.01 0.02 0.00 0.71 0.00 0.00 56.30 57.47 3fwp h ASN 5014Cb 0.60 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 39.47 3fwp h ASN 5014CO -0.19 0.49 0.35 0.44 -1.29 0.00 0.00 177.43 177.23 3fwp h ASP 5015N 0.88 0.55 1.21 1.15 3.45 -1.73 -2.30 116.42 119.63 3fwp h ASP 5015Ca 0.36 -0.01 -0.04 0.00 0.43 0.00 0.00 57.03 57.77 3fwp h ASP 5015Cb 0.26 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 38.89 3fwp h ASP 5015CO -0.13 0.39 -0.17 -0.07 -1.57 0.00 0.00 179.24 177.68 3fwp h LEU 5016N 0.64 0.00 -1.46 1.55 4.07 -1.42 -3.48 115.31 115.21 3fwp h LEU 5016Ca 0.21 0.00 -0.48 0.00 0.08 0.00 0.00 57.88 57.68 3fwp h LEU 5016Cb 0.04 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.73 3fwp h LEU 5016CO -0.05 0.17 -0.82 0.00 -1.08 0.00 0.00 178.44 176.66 3fwp n GLN 5017N -3.25 -4.36 -0.88 1.13 6.02 -0.87 -1.50 117.38 113.67 3fwp n GLN 5017Ca 0.01 0.51 0.00 0.00 -0.01 0.00 0.00 57.00 57.51 3fwp n GLN 5017Cb 0.46 -5.08 0.00 0.00 1.02 0.00 0.00 30.24 26.64 3fwp n GLN 5017CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3fwp n GLY 5018N -1.69 0.68 3.72 1.08 0.00 -1.26 -4.65 105.19 103.07 3fwp n GLY 5018Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 3fwp n GLY 5018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwp n ALA 5019N 0.64 1.83 -0.01 4.61 0.00 -0.57 -4.86 120.51 122.14 3fwp n ALA 5019Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3fwp n ALA 5019Cb 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.10 3fwp n ALA 5019CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3fwp n GLN 5020N 1.16 5.34 -5.03 0.00 6.02 -1.26 -4.22 117.38 119.40 3fwp n GLN 5020Ca 0.06 -0.06 -0.28 0.00 -0.01 0.00 0.00 57.00 56.71 3fwp n GLN 5020Cb 0.36 -0.51 -0.16 0.00 1.02 0.00 0.00 30.24 30.95 3fwp n GLN 5020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3fwp s LEU 5021N -1.56 1.99 -0.05 1.08 0.20 -1.26 0.18 118.68 119.27 3fwp s LEU 5021Ca 0.00 -0.41 0.04 0.00 0.69 0.00 0.00 54.13 54.44 3fwp s LEU 5021Cb 0.00 -1.13 0.00 0.00 -0.43 0.00 0.00 46.19 44.63 3fwp s LEU 5021CO 0.00 0.21 -0.16 0.00 -0.29 0.00 0.00 176.35 176.10 3fwp s ALA 5022N -0.14 1.50 -0.13 5.97 0.00 -0.06 -1.40 121.76 127.49 3fwp s ALA 5022Ca -0.01 -0.64 -0.20 0.00 0.00 0.00 0.00 51.96 51.10 3fwp s ALA 5022Cb -0.12 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 3fwp s ALA 5022CO 0.02 0.24 0.59 0.42 0.00 0.00 0.00 175.76 177.03 3fwp s ILE 5023N 0.20 5.09 -0.54 0.00 1.01 0.71 -1.10 121.20 126.58 3fwp s ILE 5023Ca -0.07 1.16 0.04 0.00 0.00 0.00 0.00 60.65 61.77 3fwp s ILE 5023Cb -0.13 -3.92 0.14 0.00 0.01 0.00 0.00 42.46 38.56 3fwp s ILE 5023CO 0.03 0.23 0.31 0.68 0.00 0.00 0.00 174.94 176.19 3fwp s VAL 5024N 1.13 2.34 0.83 2.92 -7.23 0.50 -1.21 120.40 119.68 3fwp s VAL 5024Ca 0.30 -3.35 -0.12 0.00 -1.81 0.00 0.00 61.98 57.00 3fwp s VAL 5024Cb -0.16 -2.61 0.09 0.00 0.56 0.00 0.00 36.38 34.26 3fwp s VAL 5024CO 0.12 -0.87 1.13 -2.16 -0.31 0.00 0.00 175.10 173.01 3fwp s PRO 5025N -0.40 1.80 -0.01 4.82 0.04 -1.23 -3.23 135.00 136.80 3fwp s PRO 5025Ca 0.19 0.35 -0.19 0.00 0.04 0.00 0.00 61.00 61.39 3fwp s PRO 5025Cb -0.20 -1.91 -0.32 0.00 0.04 0.00 0.00 34.50 32.11 3fwp s PRO 5025CO -0.04 -1.75 0.96 0.78 0.04 0.00 0.00 177.00 176.99 3fwp h GLY 5026N -1.18 0.47 -6.69 0.56 0.00 -1.84 0.18 103.07 94.57 3fwp h GLY 5026Ca -0.48 -1.14 -0.61 0.00 0.00 0.00 0.00 47.33 45.10 3fwp h GLY 5026CO 0.63 1.00 -0.12 -0.35 0.00 0.00 0.00 176.54 177.69 3fwp s ASP 5027N -7.18 6.42 0.45 0.19 -1.08 -1.26 -1.02 116.67 113.19 3fwp s ASP 5027Ca -0.12 0.50 0.25 0.00 -0.52 0.00 0.00 52.55 52.66 3fwp s ASP 5027Cb 0.02 -2.25 1.27 0.00 -1.46 0.00 0.00 42.92 40.50 3fwp s ASP 5027CO 0.87 -0.18 1.79 -0.65 0.52 0.00 0.00 175.17 177.52 3fwp h PRO 5028N 7.76 0.24 -0.12 4.34 0.11 -1.89 -1.20 132.00 141.23 3fwp h PRO 5028Ca -0.32 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.73 3fwp h PRO 5028Cb 1.15 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3fwp h PRO 5028CO 0.70 0.16 -0.09 0.93 -0.21 0.00 0.00 178.00 179.49 3fwp h GLU 5029N 0.25 0.18 0.00 1.05 3.07 -1.97 -2.50 114.58 114.65 3fwp h GLU 5029Ca 0.57 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.40 3fwp h GLU 5029Cb 1.75 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.63 3fwp h GLU 5029CO -0.19 0.29 0.00 -0.09 -1.40 0.00 0.00 179.01 177.61 3fwp h ARG 5030N 0.18 0.00 0.44 2.33 2.43 -1.63 -3.37 114.38 114.75 3fwp h ARG 5030Ca 0.04 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3fwp h ARG 5030Cb 0.28 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3fwp h ARG 5030CO 0.02 0.00 -0.31 0.28 -1.51 0.00 0.00 179.97 178.44 3fwp h VAL 5031N 0.00 0.35 -0.78 0.20 2.07 -1.50 -1.98 116.25 114.62 3fwp h VAL 5031Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3fwp h VAL 5031Cb 0.78 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 3fwp h VAL 5031CO 0.00 0.00 0.51 -0.08 0.02 0.00 0.00 177.57 178.02 3fwp h GLU 5032N -0.74 0.88 -0.59 1.57 4.81 -1.76 -1.00 114.58 117.75 3fwp h GLU 5032Ca -0.04 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.03 3fwp h GLU 5032Cb 0.62 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 3fwp h GLU 5032CO 0.02 0.58 -0.04 0.87 -0.73 0.00 0.00 179.01 179.71 3fwp h LYS 5033N 0.91 1.07 -0.16 1.92 1.57 -1.68 0.98 116.57 121.18 3fwp h LYS 5033Ca 0.32 -0.36 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 3fwp h LYS 5033Cb 0.12 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 3fwp h LYS 5033CO -0.10 1.07 -0.05 0.82 -0.57 0.00 0.00 179.45 180.62 3fwp h ILE 5034N 0.97 1.29 -0.96 1.86 2.04 -1.00 -3.17 117.51 118.53 3fwp h ILE 5034Ca 0.16 -1.02 0.06 0.00 1.00 0.00 0.00 64.86 65.06 3fwp h ILE 5034Cb 0.61 1.64 -0.06 0.00 -0.74 0.00 0.00 36.82 38.27 3fwp h ILE 5034CO 0.04 0.30 0.62 0.00 0.00 0.00 0.00 178.15 179.11 3fwp h ALA 5035N 0.71 1.32 0.00 1.87 0.00 -1.00 -2.32 119.26 119.84 3fwp h ALA 5035Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3fwp h ALA 5035Cb 0.49 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3fwp h ALA 5035CO 0.02 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.68 3fwp n ALA 5036N -2.36 1.14 1.45 0.00 0.00 0.32 -1.15 120.51 119.92 3fwp n ALA 5036Ca 0.14 0.14 0.14 0.00 0.00 0.00 0.00 53.44 53.86 3fwp n ALA 5036Cb 0.16 -1.26 0.59 0.00 0.00 0.00 0.00 19.45 18.94 3fwp n ALA 5036CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3fwp n LEU 5037N -2.08 0.68 -4.80 0.00 4.77 -0.87 -4.91 117.00 109.79 3fwp n LEU 5037Ca -0.00 -0.12 -0.30 0.00 -0.03 0.00 0.00 56.01 55.56 3fwp n LEU 5037Cb 0.06 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 40.97 3fwp n LEU 5037CO 0.09 0.12 -0.14 -0.04 -1.33 0.00 0.00 177.39 176.09 3fwp s MET 5038N -2.36 2.21 0.28 3.23 -1.94 -0.30 -5.11 119.30 115.31 3fwp s MET 5038Ca 0.31 -2.20 -0.23 0.00 -1.71 0.00 0.00 55.69 51.86 3fwp s MET 5038Cb 0.20 -1.77 -0.09 0.00 2.01 0.00 0.00 34.83 35.18 3fwp s MET 5038CO 0.45 -0.41 0.85 -0.51 -0.01 0.00 0.00 175.02 175.39 3fwp s ASP 5039N -4.01 7.19 -1.32 3.03 -0.00 0.17 -4.32 116.67 117.42 3fwp s ASP 5039Ca 0.20 1.64 -0.06 0.00 -0.00 0.00 0.00 52.55 54.34 3fwp s ASP 5039Cb 0.01 -2.51 -0.00 0.00 -0.00 0.00 0.00 42.92 40.42 3fwp s ASP 5039CO 0.12 -0.04 0.56 0.29 -0.00 0.00 0.00 175.17 176.10 3fwp n LYS 5040N 0.57 -2.98 -2.41 8.23 5.02 -1.26 0.20 118.16 125.53 3fwp n LYS 5040Ca 0.00 0.45 -0.41 0.00 -2.02 0.00 0.00 58.31 56.32 3fwp n LYS 5040Cb 0.51 -4.50 -0.03 0.00 -0.02 0.00 0.00 35.03 30.98 3fwp n LYS 5040CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3fwp s PRO 5041N -6.33 4.49 -0.01 1.97 0.04 -1.26 -4.40 135.00 129.49 3fwp s PRO 5041Ca 0.13 1.81 0.01 0.00 0.04 0.00 0.00 61.00 62.99 3fwp s PRO 5041Cb -0.05 -3.28 0.01 0.00 0.04 0.00 0.00 34.50 31.22 3fwp s PRO 5041CO 0.87 -0.12 -0.02 0.08 0.04 0.00 0.00 177.00 177.85 3fwp s VAL 5042N 0.30 0.22 0.36 -0.36 1.01 0.89 -4.99 120.40 117.82 3fwp s VAL 5042Ca 0.54 -0.06 -0.28 0.00 0.00 0.00 0.00 61.98 62.18 3fwp s VAL 5042Cb -0.31 -0.22 -0.11 0.00 0.00 0.00 0.00 36.38 35.74 3fwp s VAL 5042CO 0.34 0.09 1.41 -0.75 0.00 0.00 0.00 175.10 176.18 3fwp s LYS 5043N 0.26 4.22 -0.02 2.72 2.47 -1.26 -0.51 119.74 127.61 3fwp s LYS 5043Ca -0.02 2.42 -0.03 0.00 -1.56 0.00 0.00 55.97 56.78 3fwp s LYS 5043Cb -0.05 -3.01 -0.01 0.00 -1.46 0.00 0.00 37.83 33.30 3fwp s LYS 5043CO -0.01 -0.38 -0.05 1.28 0.16 0.00 0.00 175.35 176.35 3fwp n LEU 5044N 0.63 0.38 -3.67 5.43 4.77 0.39 -4.81 117.00 120.12 3fwp n LEU 5044Ca 0.01 0.06 -0.10 0.00 -0.03 0.00 0.00 56.01 55.94 3fwp n LEU 5044Cb 0.40 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 3fwp n LEU 5044CO 0.62 -0.49 0.17 0.00 -1.33 0.00 0.00 177.39 176.36 3fwp s ALA 5045N -2.61 -0.88 -0.16 -1.18 0.00 -1.05 -5.00 121.76 110.89 3fwp s ALA 5045Ca -0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 51.96 51.74 3fwp s ALA 5045Cb 0.01 0.74 0.07 0.00 0.00 0.00 0.00 23.12 23.94 3fwp s ALA 5045CO 0.06 -0.68 0.20 0.45 0.00 0.00 0.00 175.76 175.79 3fwp s SER 5046N -2.83 1.12 -0.03 0.00 0.15 -1.26 -0.76 113.70 110.10 3fwp s SER 5046Ca 0.05 0.02 -0.01 0.00 0.70 0.00 0.00 55.95 56.72 3fwp s SER 5046Cb 0.01 0.35 0.03 0.00 -1.71 0.00 0.00 66.02 64.71 3fwp s SER 5046CO -0.09 -0.29 0.05 -1.00 1.20 0.00 0.00 173.24 173.11 3fwp s HIS 5047N 2.32 0.00 0.00 3.44 3.76 -0.75 -5.00 115.29 119.05 3fwp s HIS 5047Ca 0.05 0.21 0.00 0.00 -0.15 0.00 0.00 55.06 55.17 3fwp s HIS 5047Cb -0.14 -0.25 0.00 0.00 1.11 0.00 0.00 32.58 33.29 3fwp s HIS 5047CO -0.10 -0.12 0.00 0.54 -0.85 0.00 0.00 174.74 174.21 3fwp n ARG 5048N 4.39 0.00 -0.14 1.40 5.12 -1.26 -0.65 116.66 125.51 3fwp n ARG 5048Ca -0.24 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.72 3fwp n ARG 5048Cb 0.50 0.00 0.11 0.00 -1.16 0.00 0.00 32.46 31.91 3fwp n ARG 5048CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 3fwp n GLU 5049N 14.00 1.65 -3.53 5.56 0.00 -1.26 -4.72 120.64 132.34 3fwp n GLU 5049Ca 0.00 -0.87 -0.42 0.00 0.00 0.00 0.00 57.16 55.87 3fwp n GLU 5049Cb 0.00 -1.27 -0.06 0.00 0.00 0.00 0.00 31.44 30.11 3fwp n GLU 5049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 3fwp s PHE 5050N -1.67 3.55 -0.20 -1.84 0.40 0.17 -3.73 117.98 114.67 3fwp s PHE 5050Ca 0.16 -2.26 -0.08 0.00 -0.60 0.00 0.00 56.93 54.15 3fwp s PHE 5050Cb 0.09 -3.51 -0.04 0.00 0.51 0.00 0.00 43.02 40.07 3fwp s PHE 5050CO 0.10 -0.93 0.08 0.99 0.70 0.00 0.00 175.22 176.16 3fwp s THR 5051N 0.30 4.88 -0.03 0.64 2.01 -1.26 -1.82 115.64 120.36 3fwp s THR 5051Ca 0.15 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.21 3fwp s THR 5051Cb -0.18 -3.22 -0.01 0.00 0.01 0.00 0.00 72.50 69.10 3fwp s THR 5051CO -0.05 0.43 -0.20 -0.94 -0.69 0.00 0.00 174.62 173.17 3fwp s SER 5052N 0.56 2.45 0.17 3.53 1.04 0.06 -1.12 113.70 120.39 3fwp s SER 5052Ca 0.04 -0.39 0.07 0.00 0.48 0.00 0.00 55.95 56.16 3fwp s SER 5052Cb -0.13 -0.40 -0.04 0.00 0.10 0.00 0.00 66.02 65.55 3fwp s SER 5052CO 0.01 0.23 -0.16 0.26 0.98 0.00 0.00 173.24 174.57 3fwp s TRP 5053N -0.34 1.66 0.05 5.02 0.52 0.99 -0.46 118.94 126.38 3fwp s TRP 5053Ca 0.04 -0.54 0.08 0.00 0.02 0.00 0.00 56.10 55.71 3fwp s TRP 5053Cb -0.09 -0.81 -0.03 0.00 -1.15 0.00 0.00 33.47 31.38 3fwp s TRP 5053CO 0.00 0.29 -0.22 0.50 0.02 0.00 0.00 176.95 177.54 3fwp s ARG 5054N -3.10 1.90 0.00 4.98 3.52 0.33 -0.65 118.95 125.93 3fwp s ARG 5054Ca 0.16 -1.07 0.00 0.00 -0.13 0.00 0.00 55.73 54.70 3fwp s ARG 5054Cb -0.03 -2.08 0.00 0.00 -1.56 0.00 0.00 34.95 31.28 3fwp s ARG 5054CO 0.06 0.52 0.00 0.00 -0.81 0.00 0.00 175.30 175.07 3fwp n ALA 5055N 1.58 0.00 -3.33 6.12 0.00 0.08 -0.08 120.51 124.87 3fwp n ALA 5055Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.15 3fwp n ALA 5055Cb 0.52 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.84 3fwp n ALA 5055CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3fwp s GLU 5056N -0.46 0.13 -0.09 0.00 2.12 0.13 -1.30 118.70 119.23 3fwp s GLU 5056Ca 0.00 0.27 0.01 0.00 0.36 0.00 0.00 54.97 55.61 3fwp s GLU 5056Cb 0.00 -0.04 0.02 0.00 0.26 0.00 0.00 34.13 34.37 3fwp s GLU 5056CO 0.00 -0.08 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.01 3fwp s LEU 5057N 0.56 1.51 -1.55 2.70 1.43 0.04 -0.65 118.68 122.72 3fwp s LEU 5057Ca -0.04 -0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 3fwp s LEU 5057Cb -0.06 -0.90 0.09 0.00 0.03 0.00 0.00 46.19 45.35 3fwp s LEU 5057CO -0.03 -0.03 0.80 0.47 0.23 0.00 0.00 176.35 177.80 3fwp n ASP 5058N 4.31 -3.23 -0.13 2.29 10.43 -1.26 -1.14 116.55 127.82 3fwp n ASP 5058Ca -0.18 -0.89 -0.02 0.00 2.57 0.00 0.00 54.79 56.26 3fwp n ASP 5058Cb 0.51 -3.41 -0.01 0.00 1.84 0.00 0.00 41.12 40.05 3fwp n ASP 5058CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fwp n GLY 5059N -1.63 0.50 3.27 0.44 0.00 -1.26 -5.01 105.19 101.49 3fwp n GLY 5059Ca -0.04 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 3fwp n GLY 5059CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fwp s LYS 5060N -1.12 2.66 0.22 1.61 2.36 -0.29 -5.11 119.74 120.06 3fwp s LYS 5060Ca 0.00 -0.89 -0.30 0.00 -2.55 0.00 0.00 55.97 52.24 3fwp s LYS 5060Cb 0.00 -2.21 -0.09 0.00 -1.05 0.00 0.00 37.83 34.48 3fwp s LYS 5060CO 0.00 0.35 1.27 0.00 1.55 0.00 0.00 175.35 178.52 3fwp s ALA 5061N -0.08 3.49 0.01 3.13 0.00 -1.26 -0.78 121.76 126.27 3fwp s ALA 5061Ca -0.06 1.07 0.05 0.00 0.00 0.00 0.00 51.96 53.02 3fwp s ALA 5061Cb -0.14 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 3fwp s ALA 5061CO 0.04 -0.48 -0.15 0.08 0.00 0.00 0.00 175.76 175.25 3fwp s VAL 5062N -0.16 1.17 -0.10 0.00 1.01 -0.42 -4.13 120.40 117.77 3fwp s VAL 5062Ca 0.54 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 3fwp s VAL 5062Cb -0.36 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 3fwp s VAL 5062CO 0.40 0.18 0.08 -0.63 0.00 0.00 0.00 175.10 175.13 3fwp s ILE 5063N -0.58 4.97 -0.16 2.22 -1.09 -0.49 -0.74 121.20 125.32 3fwp s ILE 5063Ca 0.04 -0.01 0.01 0.00 -2.23 0.00 0.00 60.65 58.45 3fwp s ILE 5063Cb -0.07 -3.14 0.01 0.00 -1.58 0.00 0.00 42.46 37.68 3fwp s ILE 5063CO 0.00 0.60 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.45 3fwp s VAL 5064N -0.98 2.44 -0.06 2.92 1.01 0.18 -0.21 120.40 125.70 3fwp s VAL 5064Ca 0.15 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 3fwp s VAL 5064Cb -0.12 -2.02 0.04 0.00 0.00 0.00 0.00 36.38 34.28 3fwp s VAL 5064CO 0.04 0.52 0.13 0.00 0.00 0.00 0.00 175.10 175.79 3fwp s SER 5066N 1.40 6.05 -0.01 0.00 1.04 -0.28 -3.55 113.70 118.35 3fwp s SER 5066Ca -0.06 1.79 0.13 0.00 0.48 0.00 0.00 55.95 58.28 3fwp s SER 5066Cb -0.12 -2.53 -0.17 0.00 0.10 0.00 0.00 66.02 63.29 3fwp s SER 5066CO -0.05 -0.98 0.40 0.35 0.98 0.00 0.00 173.24 173.93 3fwp n THR 5067N -1.75 0.00 -1.47 2.02 -2.24 0.05 -4.42 114.28 106.48 3fwp n THR 5067Ca 0.08 -0.26 0.03 0.00 -2.27 0.00 0.00 64.05 61.64 3fwp n THR 5067Cb 0.53 0.56 -0.01 0.00 -2.10 0.00 0.00 70.33 69.31 3fwp n THR 5067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fwp n GLY 5068N 1.55 -2.10 3.71 3.38 0.00 -0.19 -3.07 105.19 108.48 3fwp n GLY 5068Ca -0.00 -1.42 -0.40 0.00 0.00 0.00 0.00 46.02 44.20 3fwp n GLY 5068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fwp s ILE 5069N -0.88 5.06 0.00 -0.61 1.01 -1.26 -4.68 121.20 119.83 3fwp s ILE 5069Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 60.65 61.99 3fwp s ILE 5069Cb 0.00 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.47 3fwp s ILE 5069CO 0.00 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.79 3fwp n GLY 5070N 3.23 0.99 0.21 6.18 0.00 -1.26 -4.59 105.19 109.96 3fwp n GLY 5070Ca -0.02 -1.79 -0.01 0.00 0.00 0.00 0.00 46.02 44.20 3fwp n GLY 5070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fwp h GLY 5071N 0.00 0.67 0.47 -0.02 0.00 -1.86 -2.50 103.07 99.82 3fwp h GLY 5071Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 47.33 47.35 3fwp h GLY 5071CO 0.00 -0.08 -0.11 -2.55 0.00 0.00 0.00 176.54 173.81 3fwp h PRO 5072N 0.25 -0.09 -0.47 4.80 0.11 -1.94 0.26 132.00 134.93 3fwp h PRO 5072Ca 0.27 0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.28 3fwp h PRO 5072Cb 0.37 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 3fwp h PRO 5072CO -0.35 -0.06 -0.13 1.03 -0.21 0.00 0.00 178.00 178.28 3fwp h SER 5073N -0.09 0.93 -0.66 -2.05 0.87 -1.80 -2.86 113.55 107.89 3fwp h SER 5073Ca 0.11 -0.37 0.06 0.00 -1.23 0.00 0.00 61.79 60.36 3fwp h SER 5073Cb 0.25 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 61.91 3fwp h SER 5073CO -0.26 1.08 0.37 0.74 -0.53 0.00 0.00 176.83 178.23 3fwp h THR 5074N 0.76 0.97 -0.35 2.23 2.02 -1.15 -2.16 112.91 115.23 3fwp h THR 5074Ca 0.12 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 3fwp h THR 5074Cb 0.69 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 3fwp h THR 5074CO 0.05 0.12 0.07 0.77 0.37 0.00 0.00 175.52 176.90 3fwp h SER 5075N 0.68 0.47 0.21 4.18 4.64 -0.33 -0.29 113.55 123.11 3fwp h SER 5075Ca 0.29 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.54 3fwp h SER 5075Cb 0.18 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3fwp h SER 5075CO -0.18 0.49 -0.10 0.40 -0.87 0.00 0.00 176.83 176.57 3fwp h ILE 5076N 0.50 0.87 -0.48 0.95 2.04 -1.23 -2.30 117.51 117.85 3fwp h ILE 5076Ca 0.12 -0.50 0.01 0.00 1.00 0.00 0.00 64.86 65.48 3fwp h ILE 5076Cb 0.22 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 3fwp h ILE 5076CO -0.00 0.11 0.32 0.00 0.00 0.00 0.00 178.15 178.58 3fwp h ALA 5077N 0.19 0.61 -0.32 1.87 0.00 -0.97 -1.76 119.26 118.88 3fwp h ALA 5077Ca -0.03 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3fwp h ALA 5077Cb 0.40 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3fwp h ALA 5077CO 0.05 0.06 -0.08 0.28 0.00 0.00 0.00 179.25 179.56 3fwp h VAL 5078N 0.65 1.28 -0.30 0.00 2.07 -1.13 -0.79 116.25 118.04 3fwp h VAL 5078Ca 0.18 -1.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 3fwp h VAL 5078Cb -0.07 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3fwp h VAL 5078CO -0.04 0.36 0.18 -0.08 0.02 0.00 0.00 177.57 178.01 3fwp h GLU 5079N 0.39 0.40 -0.05 1.57 4.57 -1.26 0.11 114.58 120.31 3fwp h GLU 5079Ca 0.08 -0.04 -0.18 0.00 -1.18 0.00 0.00 59.36 58.04 3fwp h GLU 5079Cb 0.57 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 3fwp h GLU 5079CO 0.03 0.31 -0.74 0.93 -1.18 0.00 0.00 179.01 178.36 3fwp h GLU 5080N 0.38 0.32 -0.62 1.92 5.08 -1.27 -0.73 114.58 119.66 3fwp h GLU 5080Ca 0.11 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 3fwp h GLU 5080Cb 0.01 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3fwp h GLU 5080CO -0.02 0.92 0.19 -0.07 -1.00 0.00 0.00 179.01 179.03 3fwp h LEU 5081N 0.21 0.91 -0.74 1.33 3.38 -1.05 -2.32 115.31 117.04 3fwp h LEU 5081Ca -0.03 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.76 3fwp h LEU 5081Cb 1.31 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 3fwp h LEU 5081CO 0.12 0.89 0.46 0.00 0.09 0.00 0.00 178.44 180.00 3fwp h ALA 5082N 1.06 0.97 -0.39 1.53 0.00 -0.60 -0.79 119.26 121.05 3fwp h ALA 5082Ca 0.20 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.11 3fwp h ALA 5082Cb 0.31 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3fwp h ALA 5082CO -0.00 0.23 0.26 1.96 0.00 0.00 0.00 179.25 181.69 3fwp h GLN 5083N 0.88 0.43 -0.00 0.00 4.20 -0.92 -1.90 115.11 117.80 3fwp h GLN 5083Ca 0.30 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.98 3fwp h GLN 5083Cb 0.05 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.73 3fwp h GLN 5083CO -0.12 0.29 -0.17 1.28 -0.67 0.00 0.00 178.83 179.43 3fwp n LEU 5084N -4.48 0.50 0.00 1.46 4.77 -0.76 -4.92 117.00 113.57 3fwp n LEU 5084Ca 0.03 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3fwp n LEU 5084Cb 0.12 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3fwp n LEU 5084CO 0.35 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3fwp n GLY 5085N 1.35 0.94 3.72 -0.72 0.00 -0.72 -4.76 105.19 104.99 3fwp n GLY 5085Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3fwp n GLY 5085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fwp s ILE 5086N -2.00 3.29 0.00 -0.61 -1.09 -0.37 -4.46 121.20 115.95 3fwp s ILE 5086Ca 0.00 0.97 0.00 0.00 -2.23 0.00 0.00 60.65 59.39 3fwp s ILE 5086Cb 0.00 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.26 3fwp s ILE 5086CO 0.00 0.10 0.00 0.54 -1.23 0.00 0.00 174.94 174.35 3fwp n ARG 5087N 3.47 3.03 -4.43 2.79 5.12 0.13 -4.16 116.66 122.61 3fwp n ARG 5087Ca 0.09 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.77 3fwp n ARG 5087Cb 0.43 -0.75 -0.17 0.00 -1.16 0.00 0.00 32.46 30.81 3fwp n ARG 5087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3fwp s THR 5088N -1.47 1.09 -0.10 0.55 2.01 -0.63 -0.58 115.64 116.52 3fwp s THR 5088Ca 0.00 -0.43 0.03 0.00 0.31 0.00 0.00 61.69 61.60 3fwp s THR 5088Cb 0.00 -1.02 0.01 0.00 0.01 0.00 0.00 72.50 71.50 3fwp s THR 5088CO 0.00 0.35 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.73 3fwp s PHE 5089N 0.87 2.16 -0.27 4.92 0.40 0.97 -0.88 117.98 126.15 3fwp s PHE 5089Ca -0.11 -0.94 0.02 0.00 -0.60 0.00 0.00 56.93 55.31 3fwp s PHE 5089Cb -0.15 -1.50 0.06 0.00 0.51 0.00 0.00 43.02 41.94 3fwp s PHE 5089CO 0.01 -0.43 -0.08 -0.51 0.70 0.00 0.00 175.22 174.91 3fwp s LEU 5090N 0.65 3.61 0.17 -0.37 1.43 -0.26 -1.19 118.68 122.73 3fwp s LEU 5090Ca -0.13 -1.44 -0.28 0.00 -1.03 0.00 0.00 54.13 51.26 3fwp s LEU 5090Cb -0.16 -1.58 -0.08 0.00 0.03 0.00 0.00 46.19 44.40 3fwp s LEU 5090CO 0.04 -0.21 0.86 -0.60 0.23 0.00 0.00 176.35 176.66 3fwp s ARG 5091N 1.11 4.69 -0.09 1.70 3.52 -0.19 -0.37 118.95 129.32 3fwp s ARG 5091Ca -0.07 1.31 0.02 0.00 -0.13 0.00 0.00 55.73 56.86 3fwp s ARG 5091Cb -0.20 -3.29 0.01 0.00 -1.56 0.00 0.00 34.95 29.91 3fwp s ARG 5091CO -0.05 0.48 -0.13 -1.50 -0.81 0.00 0.00 175.30 173.29 3fwp s ILE 5092N -0.90 1.29 0.33 4.11 2.07 -1.20 -1.73 121.20 125.17 3fwp s ILE 5092Ca 0.39 -0.54 0.05 0.00 -1.41 0.00 0.00 60.65 59.14 3fwp s ILE 5092Cb -0.24 -1.19 -0.03 0.00 0.13 0.00 0.00 42.46 41.13 3fwp s ILE 5092CO 0.29 0.40 0.19 -0.83 -1.91 0.00 0.00 174.94 173.07 3fwp s GLY 5093N 0.87 2.24 0.15 1.50 0.00 -0.83 -4.04 107.32 107.22 3fwp s GLY 5093Ca -0.10 -1.75 0.08 0.00 0.00 0.00 0.00 44.72 42.95 3fwp s GLY 5093CO 0.01 -1.59 -0.09 -0.51 0.00 0.00 0.00 173.10 170.92 3fwp s THR 5094N -3.50 3.30 0.14 0.90 -4.23 -1.26 -1.68 115.64 109.31 3fwp s THR 5094Ca 0.35 -1.49 -0.12 0.00 -1.18 0.00 0.00 61.69 59.26 3fwp s THR 5094Cb 0.04 -2.60 0.01 0.00 1.34 0.00 0.00 72.50 71.28 3fwp s THR 5094CO 0.20 -0.02 0.32 0.28 -0.54 0.00 0.00 174.62 174.86 3fwp s THR 5095N -1.51 0.08 -0.25 3.99 -1.32 0.12 -4.84 115.64 111.92 3fwp s THR 5095Ca 0.24 -1.04 -0.05 0.00 -1.21 0.00 0.00 61.69 59.62 3fwp s THR 5095Cb -0.10 -1.50 -0.01 0.00 -1.51 0.00 0.00 72.50 69.39 3fwp s THR 5095CO 0.15 -0.37 0.01 -0.83 -2.21 0.00 0.00 174.62 171.36 3fwp s GLY 5096N -2.88 1.68 0.48 6.08 0.00 -1.26 -1.77 107.32 109.65 3fwp s GLY 5096Ca 0.09 -1.25 -0.21 0.00 0.00 0.00 0.00 44.72 43.35 3fwp s GLY 5096CO -0.06 0.51 1.07 0.00 0.00 0.00 0.00 173.10 174.61 3fwp s ALA 5097N 1.50 2.87 -0.60 3.20 0.00 -0.47 -2.90 121.76 125.36 3fwp s ALA 5097Ca 0.05 0.69 0.05 0.00 0.00 0.00 0.00 51.96 52.75 3fwp s ALA 5097Cb -0.15 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.71 3fwp s ALA 5097CO -0.01 -0.42 0.59 0.44 0.00 0.00 0.00 175.76 176.36 3fwp n ILE 5098N -0.87 0.00 -3.52 0.00 -5.35 0.00 -0.13 119.36 109.50 3fwp n ILE 5098Ca 0.09 -0.48 -0.37 0.00 -0.27 0.00 0.00 62.75 61.72 3fwp n ILE 5098Cb 0.51 1.09 -0.07 0.00 -1.74 0.00 0.00 39.64 39.44 3fwp n ILE 5098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3fwp s GLN 5099N -0.64 4.18 0.41 6.28 -1.52 -1.21 -4.78 119.66 122.39 3fwp s GLN 5099Ca 0.06 0.17 0.18 0.00 -1.95 0.00 0.00 55.36 53.81 3fwp s GLN 5099Cb 0.04 -3.39 1.10 0.00 -0.22 0.00 0.00 33.01 30.54 3fwp s GLN 5099CO 0.09 0.31 1.82 -1.35 -0.25 0.00 0.00 175.29 175.91 3fwp h PRO 5100N 6.37 0.39 -0.62 2.91 0.11 -1.95 -2.29 132.00 136.91 3fwp h PRO 5100Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3fwp h PRO 5100Cb 1.18 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3fwp h PRO 5100CO 0.73 0.25 0.00 0.72 -0.21 0.00 0.00 178.00 179.50 3fwp n HIS 5101N -4.54 1.56 -3.62 0.65 8.25 -1.26 -4.76 115.22 111.50 3fwp n HIS 5101Ca 0.21 -0.64 -0.39 0.00 -0.26 0.00 0.00 57.72 56.64 3fwp n HIS 5101Cb 0.77 -0.29 -0.11 0.00 1.12 0.00 0.00 29.99 31.48 3fwp n HIS 5101CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3fwp s ILE 5102N -2.03 4.72 0.26 1.59 1.01 -0.86 -5.09 121.20 120.79 3fwp s ILE 5102Ca 0.51 -0.47 0.06 0.00 0.00 0.00 0.00 60.65 60.75 3fwp s ILE 5102Cb 0.34 -3.45 -0.03 0.00 0.01 0.00 0.00 42.46 39.33 3fwp s ILE 5102CO 0.23 -0.00 0.33 0.20 0.00 0.00 0.00 174.94 175.69 3fwp s ASN 5103N 1.62 6.06 0.28 3.58 0.01 -1.26 -4.81 114.94 120.42 3fwp s ASN 5103Ca 0.04 -0.05 -0.30 0.00 -0.71 0.00 0.00 52.86 51.84 3fwp s ASN 5103Cb -0.17 -1.65 -0.12 0.00 0.41 0.00 0.00 41.25 39.71 3fwp s ASN 5103CO 0.07 -0.11 1.47 0.52 -1.51 0.00 0.00 177.10 177.54 3fwp n VAL 5104N -1.38 1.19 -0.10 1.60 0.31 -1.26 -1.72 118.33 116.96 3fwp n VAL 5104Ca -0.07 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 3fwp n VAL 5104Cb 0.57 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 3fwp n VAL 5104CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fwp n GLY 5105N 1.86 1.11 3.81 2.92 0.00 0.31 -4.97 105.19 110.23 3fwp n GLY 5105Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3fwp n GLY 5105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fwp s ASP 5106N -2.87 5.60 -0.13 1.61 1.01 -0.70 -4.75 116.67 116.44 3fwp s ASP 5106Ca 0.00 1.69 -0.01 0.00 0.71 0.00 0.00 52.55 54.94 3fwp s ASP 5106Cb 0.00 -2.51 -0.02 0.00 1.01 0.00 0.00 42.92 41.40 3fwp s ASP 5106CO 0.00 -1.30 -0.10 -0.69 0.21 0.00 0.00 175.17 173.30 3fwp s VAL 5107N -2.79 3.35 -0.15 -1.27 1.01 0.01 -0.60 120.40 119.97 3fwp s VAL 5107Ca 0.60 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 3fwp s VAL 5107Cb -0.15 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 3fwp s VAL 5107CO 0.47 0.52 -0.09 -0.76 0.00 0.00 0.00 175.10 175.24 3fwp s LEU 5108N 0.24 2.94 -0.19 3.92 1.43 0.78 -0.95 118.68 126.83 3fwp s LEU 5108Ca -0.07 -0.25 -0.04 0.00 -1.03 0.00 0.00 54.13 52.74 3fwp s LEU 5108Cb -0.15 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 3fwp s LEU 5108CO 0.04 0.15 -0.02 -0.69 0.23 0.00 0.00 176.35 176.07 3fwp s VAL 5109N 0.44 3.79 -0.25 -1.59 1.01 -0.03 -0.67 120.40 123.09 3fwp s VAL 5109Ca -0.07 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.38 3fwp s VAL 5109Cb -0.15 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 3fwp s VAL 5109CO 0.04 0.44 0.43 -0.89 0.00 0.00 0.00 175.10 175.12 3fwp s THR 5110N 0.95 5.14 0.04 3.92 2.01 -0.60 -1.76 115.64 125.34 3fwp s THR 5110Ca 0.01 0.71 -0.05 0.00 0.31 0.00 0.00 61.69 62.66 3fwp s THR 5110Cb -0.14 -3.75 -0.29 0.00 0.01 0.00 0.00 72.50 68.33 3fwp s THR 5110CO 0.01 0.15 1.00 0.71 -0.69 0.00 0.00 174.62 175.81 3fwp h THR 5111N 5.32 1.33 -2.37 -0.82 1.35 -1.39 -3.40 112.91 112.95 3fwp h THR 5111Ca -0.31 -2.92 0.11 0.00 -0.55 0.00 0.00 66.41 62.74 3fwp h THR 5111Cb 1.15 2.88 -0.14 0.00 -1.73 0.00 0.00 68.15 70.31 3fwp h THR 5111CO 0.68 0.85 0.46 0.00 -0.25 0.00 0.00 175.52 177.27 3fwp s ALA 5112N -2.63 -1.77 0.02 6.62 0.00 -1.25 -0.78 121.76 121.97 3fwp s ALA 5112Ca -0.07 0.79 0.08 0.00 0.00 0.00 0.00 51.96 52.77 3fwp s ALA 5112Cb 0.07 0.50 -0.02 0.00 0.00 0.00 0.00 23.12 23.67 3fwp s ALA 5112CO 0.88 -0.76 -0.24 -1.12 0.00 0.00 0.00 175.76 174.52 3fwp s SER 5113N -2.59 2.83 0.04 0.00 0.01 -0.11 -2.03 113.70 111.85 3fwp s SER 5113Ca 0.06 -0.51 -0.31 0.00 1.31 0.00 0.00 55.95 56.51 3fwp s SER 5113Cb -0.01 -0.27 -0.06 0.00 0.21 0.00 0.00 66.02 65.88 3fwp s SER 5113CO -0.07 0.25 1.34 -0.69 0.41 0.00 0.00 173.24 174.48 3fwp s VAL 5114N -0.70 3.70 -1.18 3.43 1.01 0.10 -4.36 120.40 122.40 3fwp s VAL 5114Ca 0.10 1.15 -0.14 0.00 0.00 0.00 0.00 61.98 63.09 3fwp s VAL 5114Cb -0.09 -3.74 0.17 0.00 0.00 0.00 0.00 36.38 32.71 3fwp s VAL 5114CO 0.01 0.04 1.40 -0.13 0.00 0.00 0.00 175.10 176.42 3fwp s ARG 5115N 1.76 4.04 -0.53 2.72 0.52 -1.26 -1.38 118.95 124.81 3fwp s ARG 5115Ca 0.62 -2.49 0.02 0.00 -0.52 0.00 0.00 55.73 53.36 3fwp s ARG 5115Cb -0.32 -5.05 0.58 0.00 0.52 0.00 0.00 34.95 30.68 3fwp s ARG 5115CO 0.28 -1.77 1.95 1.28 0.02 0.00 0.00 175.30 177.06 3fwp n LEU 5116N 5.74 7.05 -4.71 2.53 4.77 -0.24 -4.94 117.00 127.19 3fwp n LEU 5116Ca 0.35 -3.90 -0.29 0.00 -0.03 0.00 0.00 56.01 52.14 3fwp n LEU 5116Cb 0.43 -0.88 -0.08 0.00 -2.33 0.00 0.00 43.42 40.56 3fwp n LEU 5116CO 0.61 1.23 -0.23 1.51 -1.33 0.00 0.00 177.39 179.18 3fwp s ASP 5117N -1.57 4.11 -0.19 -1.43 3.84 -1.20 -1.40 116.67 118.82 3fwp s ASP 5117Ca 0.60 -1.44 0.11 0.00 -0.00 0.00 0.00 52.55 51.82 3fwp s ASP 5117Cb 0.49 0.03 -0.19 0.00 -1.38 0.00 0.00 42.92 41.86 3fwp s ASP 5117CO 0.06 -0.67 -0.03 0.61 -0.00 0.00 0.00 175.17 175.13 3fwp n GLY 5118N -1.18 -0.68 0.25 2.12 0.00 -1.26 -4.70 105.19 99.74 3fwp n GLY 5118Ca -0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 46.02 45.65 3fwp n GLY 5118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwp h ALA 5119N 0.57 1.23 -0.77 4.61 0.00 -1.98 -2.35 119.26 120.57 3fwp h ALA 5119Ca -0.49 -0.28 0.12 0.00 0.00 0.00 0.00 54.91 54.26 3fwp h ALA 5119Cb 1.99 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.59 3fwp h ALA 5119CO -0.01 0.50 0.51 0.66 0.00 0.00 0.00 179.25 180.91 3fwp h SER 5120N 0.46 0.53 0.61 0.00 4.64 -1.84 0.15 113.55 118.10 3fwp h SER 5120Ca 0.08 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3fwp h SER 5120Cb 0.51 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3fwp h SER 5120CO 0.03 0.30 0.00 0.18 -0.87 0.00 0.00 176.83 176.47 3fwp n LEU 5121N -4.50 0.43 -0.11 5.97 4.77 -0.88 -1.54 117.00 121.13 3fwp n LEU 5121Ca 0.14 0.61 0.14 0.00 -0.03 0.00 0.00 56.01 56.87 3fwp n LEU 5121Cb 0.42 -0.56 0.62 0.00 -2.33 0.00 0.00 43.42 41.58 3fwp n LEU 5121CO 0.32 -0.47 0.88 1.41 -1.33 0.00 0.00 177.39 178.20 3fwp n HIS 5122N -1.98 0.00 -0.01 -1.77 8.25 0.04 -4.08 115.22 115.67 3fwp n HIS 5122Ca 0.02 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.47 3fwp n HIS 5122Cb 0.20 -0.18 -0.02 0.00 1.12 0.00 0.00 29.99 31.11 3fwp n HIS 5122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3fwp n PHE 5123N -0.95 0.00 -3.73 4.41 3.01 -0.59 -5.09 117.46 114.52 3fwp n PHE 5123Ca 0.15 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.47 3fwp n PHE 5123Cb 0.27 -0.11 -0.09 0.00 -0.01 0.00 0.00 39.48 39.55 3fwp n PHE 5123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3fwp s ALA 5124N -2.06 -0.94 0.92 4.37 0.00 -0.77 -5.01 121.76 118.28 3fwp s ALA 5124Ca -0.02 0.60 -0.11 0.00 0.00 0.00 0.00 51.96 52.42 3fwp s ALA 5124Cb 0.01 -0.08 0.14 0.00 0.00 0.00 0.00 23.12 23.19 3fwp s ALA 5124CO 0.08 -0.26 1.09 -1.25 0.00 0.00 0.00 175.76 175.42 3fwp s PRO 5125N -0.99 1.08 0.55 0.00 0.04 -1.26 -3.94 135.00 130.47 3fwp s PRO 5125Ca -0.10 0.95 0.23 0.00 0.04 0.00 0.00 61.00 62.12 3fwp s PRO 5125Cb -0.04 -1.78 1.45 0.00 0.04 0.00 0.00 34.50 34.17 3fwp s PRO 5125CO 0.04 -2.40 2.10 1.98 0.04 0.00 0.00 177.00 178.76 3fwp h MET 5126N -1.67 0.00 0.00 4.56 4.05 -1.94 -1.53 114.93 118.40 3fwp h MET 5126Ca -0.49 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 58.91 3fwp h MET 5126Cb 1.28 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.08 3fwp h MET 5126CO 0.52 0.00 -0.07 0.93 0.23 0.00 0.00 176.91 178.52 3fwp h GLU 5127N 0.00 0.00 -6.61 0.39 3.07 -2.03 -3.43 114.58 105.97 3fwp h GLU 5127Ca 0.10 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.43 3fwp h GLU 5127Cb 0.43 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.35 3fwp h GLU 5127CO -0.00 0.07 0.55 0.12 -1.40 0.00 0.00 179.01 178.35 3fwp s PHE 5128N -4.39 3.45 0.09 4.33 2.19 -0.58 -5.00 117.98 118.07 3fwp s PHE 5128Ca -0.04 1.41 -0.30 0.00 0.33 0.00 0.00 56.93 58.33 3fwp s PHE 5128Cb 0.14 -3.41 -0.06 0.00 -1.31 0.00 0.00 43.02 38.39 3fwp s PHE 5128CO 0.57 -1.16 1.07 -1.25 1.83 0.00 0.00 175.22 176.28 3fwp s PRO 5129N 0.11 4.56 -1.32 10.12 0.04 -1.26 -4.94 135.00 142.31 3fwp s PRO 5129Ca 0.54 1.61 -0.16 0.00 0.04 0.00 0.00 61.00 63.03 3fwp s PRO 5129Cb -0.31 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 30.87 3fwp s PRO 5129CO 0.34 -0.03 2.16 0.00 0.04 0.00 0.00 177.00 179.51 3fwp n ALA 5130N 3.29 5.04 -2.78 8.56 0.00 -1.26 -4.72 120.51 128.65 3fwp n ALA 5130Ca 0.05 -3.77 -0.36 0.00 0.00 0.00 0.00 53.44 49.37 3fwp n ALA 5130Cb 0.48 -3.56 -0.08 0.00 0.00 0.00 0.00 19.45 16.29 3fwp n ALA 5130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fwp s VAL 5131N 3.62 4.89 0.54 0.00 0.11 -1.26 -0.93 120.40 127.36 3fwp s VAL 5131Ca 0.49 -0.05 -0.17 0.00 -2.93 0.00 0.00 61.98 59.32 3fwp s VAL 5131Cb 0.14 -3.11 -0.06 0.00 -1.53 0.00 0.00 36.38 31.82 3fwp s VAL 5131CO -0.04 0.59 1.02 0.00 -3.33 0.00 0.00 175.10 173.33 3fwp s ALA 5132N -0.97 2.93 0.30 1.54 0.00 0.04 -4.65 121.76 120.94 3fwp s ALA 5132Ca 0.15 0.30 -0.29 0.00 0.00 0.00 0.00 51.96 52.12 3fwp s ALA 5132Cb -0.12 -3.17 -0.10 0.00 0.00 0.00 0.00 23.12 19.73 3fwp s ALA 5132CO 0.04 -0.45 1.25 0.34 0.00 0.00 0.00 175.76 176.94 3fwp s ASP 5133N -2.86 6.93 0.14 0.00 -1.08 0.12 -4.94 116.67 114.98 3fwp s ASP 5133Ca 0.61 2.54 -0.14 0.00 -0.52 0.00 0.00 52.55 55.04 3fwp s ASP 5133Cb -0.13 -2.64 0.00 0.00 -1.46 0.00 0.00 42.92 38.70 3fwp s ASP 5133CO 0.32 -0.42 1.62 0.15 0.52 0.00 0.00 175.17 177.36 3fwp h PHE 5134N 3.73 0.77 -0.86 -5.34 3.57 -1.96 -0.62 116.94 116.22 3fwp h PHE 5134Ca -0.48 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 60.91 3fwp h PHE 5134Cb 1.22 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.71 3fwp h PHE 5134CO 0.57 0.73 0.52 0.00 -2.23 0.00 0.00 178.31 177.90 3fwp h ALA 5135N 0.95 1.10 -0.04 2.41 0.00 -1.96 0.15 119.26 121.87 3fwp h ALA 5135Ca 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3fwp h ALA 5135Cb 0.37 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3fwp h ALA 5135CO 0.01 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.82 3fwp h THR 5137N -0.22 0.99 -0.10 0.00 2.02 -0.94 -1.46 112.91 113.20 3fwp h THR 5137Ca 0.01 -0.14 0.04 0.00 0.77 0.00 0.00 66.41 67.09 3fwp h THR 5137Cb 0.31 0.54 -0.05 0.00 -1.74 0.00 0.00 68.15 67.21 3fwp h THR 5137CO 0.00 0.08 -0.20 0.74 0.37 0.00 0.00 175.52 176.51 3fwp h THR 5138N 0.41 0.51 -0.79 3.16 2.02 -0.65 -1.00 112.91 116.57 3fwp h THR 5138Ca 0.17 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.40 3fwp h THR 5138Cb 0.07 0.51 -0.06 0.00 -1.74 0.00 0.00 68.15 66.93 3fwp h THR 5138CO -0.11 0.00 0.48 0.00 0.37 0.00 0.00 175.52 176.26 3fwp h ALA 5139N 0.72 1.06 -0.23 6.16 0.00 -0.87 -0.05 119.26 126.05 3fwp h ALA 5139Ca 0.09 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3fwp h ALA 5139Cb 0.39 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3fwp h ALA 5139CO -0.25 0.23 -0.03 -0.07 0.00 0.00 0.00 179.25 179.13 3fwp h LEU 5140N 0.90 0.43 -0.39 0.00 3.38 -1.06 -0.04 115.31 118.53 3fwp h LEU 5140Ca 0.34 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3fwp h LEU 5140Cb 0.12 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3fwp h LEU 5140CO -0.16 0.66 0.18 0.58 0.09 0.00 0.00 178.44 179.80 3fwp h VAL 5141N 0.18 1.17 -0.61 1.22 2.07 -0.92 -0.49 116.25 118.88 3fwp h VAL 5141Ca 0.06 -0.50 -0.10 0.00 0.82 0.00 0.00 66.70 66.98 3fwp h VAL 5141Cb 0.46 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3fwp h VAL 5141CO 0.02 0.19 0.00 -0.33 0.02 0.00 0.00 177.57 177.46 3fwp h GLU 5142N 0.48 1.08 -0.71 1.57 5.08 -0.99 -0.98 114.58 120.12 3fwp h GLU 5142Ca 0.13 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 3fwp h GLU 5142Cb 0.13 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3fwp h GLU 5142CO -0.02 1.05 0.35 0.00 -1.00 0.00 0.00 179.01 179.39 3fwp h ALA 5143N 0.99 0.91 -0.59 3.43 0.00 -0.85 -0.43 119.26 122.72 3fwp h ALA 5143Ca 0.17 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3fwp h ALA 5143Cb 0.56 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3fwp h ALA 5143CO 0.03 0.47 0.26 0.00 0.00 0.00 0.00 179.25 180.02 3fwp h ALA 5144N 1.17 0.77 -0.18 0.00 0.00 -0.81 -2.79 119.26 117.42 3fwp h ALA 5144Ca 0.24 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3fwp h ALA 5144Cb 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3fwp h ALA 5144CO -0.03 0.35 -0.41 0.87 0.00 0.00 0.00 179.25 180.03 3fwp h LYS 5145N 0.81 0.41 0.00 0.00 1.57 -0.99 -2.26 116.57 116.12 3fwp h LYS 5145Ca 0.20 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3fwp h LYS 5145Cb 0.16 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 3fwp h LYS 5145CO -0.02 0.76 -0.04 0.66 -0.57 0.00 0.00 179.45 180.23 3fwp h SER 5146N 0.34 0.00 -0.11 0.86 4.64 -0.81 -2.14 113.55 116.33 3fwp h SER 5146Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3fwp h SER 5146Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 3fwp h SER 5146CO 0.07 0.04 0.00 2.30 -0.87 0.00 0.00 176.83 178.38 3fwp n ILE 5147N -3.25 0.20 -1.36 0.95 -5.35 -1.12 -5.01 119.36 104.43 3fwp n ILE 5147Ca -0.01 -0.60 -0.05 0.00 -0.27 0.00 0.00 62.75 61.82 3fwp n ILE 5147Cb 0.23 1.14 -0.02 0.00 -1.74 0.00 0.00 39.64 39.25 3fwp n ILE 5147CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fwp n GLY 5148N 0.82 0.60 3.76 3.28 0.00 -0.81 -5.02 105.19 107.81 3fwp n GLY 5148Ca 0.10 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 3fwp n GLY 5148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwp s ALA 5149N -2.18 2.59 -0.41 4.61 0.00 -0.89 -4.98 121.76 120.49 3fwp s ALA 5149Ca 0.00 0.91 -0.28 0.00 0.00 0.00 0.00 51.96 52.59 3fwp s ALA 5149Cb 0.00 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.73 3fwp s ALA 5149CO 0.00 -1.03 1.07 0.99 0.00 0.00 0.00 175.76 176.78 3fwp s THR 5150N -1.72 4.39 -0.06 0.00 2.01 -1.26 -4.75 115.64 114.25 3fwp s THR 5150Ca 0.75 1.35 0.05 0.00 0.31 0.00 0.00 61.69 64.15 3fwp s THR 5150Cb -0.27 -4.49 -0.01 0.00 0.01 0.00 0.00 72.50 67.74 3fwp s THR 5150CO 0.31 -0.75 -0.22 -0.89 -0.69 0.00 0.00 174.62 172.39 3fwp s THR 5151N 3.98 2.34 -0.09 -0.82 2.01 -1.26 -0.81 115.64 121.00 3fwp s THR 5151Ca 0.45 -0.97 0.05 0.00 0.31 0.00 0.00 61.69 61.53 3fwp s THR 5151Cb -0.10 -1.88 -0.00 0.00 0.01 0.00 0.00 72.50 70.53 3fwp s THR 5151CO 0.24 0.57 -0.24 -1.00 -0.69 0.00 0.00 174.62 173.50 3fwp s HIS 5152N -0.23 2.47 -0.14 4.92 3.76 -0.13 -4.97 115.29 120.97 3fwp s HIS 5152Ca -0.01 -0.93 0.01 0.00 -0.15 0.00 0.00 55.06 53.98 3fwp s HIS 5152Cb -0.13 -1.65 -0.00 0.00 1.11 0.00 0.00 32.58 31.91 3fwp s HIS 5152CO 0.03 -0.35 -0.17 0.08 -0.85 0.00 0.00 174.74 173.48 3fwp s VAL 5153N 0.20 2.64 -4.33 -0.90 1.01 -1.26 -0.85 120.40 116.91 3fwp s VAL 5153Ca -0.14 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.04 3fwp s VAL 5153Cb -0.17 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.12 3fwp s VAL 5153CO 0.07 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.31 3fwp n GLY 5154N 3.81 -0.53 3.85 4.51 0.00 -0.72 -4.96 105.19 111.15 3fwp n GLY 5154Ca -0.19 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 3fwp n GLY 5154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fwp s VAL 5155N -3.98 5.07 -0.02 1.61 1.01 -1.26 -0.95 120.40 121.87 3fwp s VAL 5155Ca 0.00 0.69 0.07 0.00 0.00 0.00 0.00 61.98 62.74 3fwp s VAL 5155Cb 0.00 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 3fwp s VAL 5155CO 0.00 0.49 -0.23 -0.89 0.00 0.00 0.00 175.10 174.48 3fwp s THR 5156N -1.17 1.81 -0.20 3.92 2.01 -0.86 0.07 115.64 121.22 3fwp s THR 5156Ca 0.26 -0.97 -0.19 0.00 0.31 0.00 0.00 61.69 61.10 3fwp s THR 5156Cb -0.16 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 3fwp s THR 5156CO 0.14 0.51 0.53 0.00 -0.69 0.00 0.00 174.62 175.12 3fwp s ALA 5157N -0.49 3.54 -0.30 7.40 0.00 0.37 0.02 121.76 132.31 3fwp s ALA 5157Ca 0.07 -0.39 -0.03 0.00 0.00 0.00 0.00 51.96 51.62 3fwp s ALA 5157Cb -0.09 -2.84 0.04 0.00 0.00 0.00 0.00 23.12 20.23 3fwp s ALA 5157CO -0.00 -0.47 0.01 0.45 0.00 0.00 0.00 175.76 175.75 3fwp s SER 5158N 1.17 4.91 -0.07 0.00 0.15 -0.48 -1.49 113.70 117.90 3fwp s SER 5158Ca 0.25 -1.20 0.01 0.00 0.70 0.00 0.00 55.95 55.71 3fwp s SER 5158Cb -0.15 -1.74 -0.03 0.00 -1.71 0.00 0.00 66.02 62.39 3fwp s SER 5158CO 0.10 -0.26 -0.08 -0.55 1.20 0.00 0.00 173.24 173.65 3fwp s SER 5159N 1.29 4.51 0.00 5.45 0.15 0.31 -1.08 113.70 124.33 3fwp s SER 5159Ca -0.04 -0.06 0.16 0.00 0.70 0.00 0.00 55.95 56.71 3fwp s SER 5159Cb -0.19 -1.12 0.71 0.00 -1.71 0.00 0.00 66.02 63.70 3fwp s SER 5159CO -0.01 0.35 1.52 0.47 1.20 0.00 0.00 173.24 176.78 3fwp n ASP 5160N 2.29 0.00 -4.29 5.45 10.43 -0.49 -4.29 116.55 125.64 3fwp n ASP 5160Ca -0.18 0.46 -0.19 0.00 2.57 0.00 0.00 54.79 57.46 3fwp n ASP 5160Cb 0.53 -0.48 -0.11 0.00 1.84 0.00 0.00 41.12 42.90 3fwp n ASP 5160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3fwp s THR 5161N -2.96 1.56 -0.06 -3.53 -4.23 -1.26 -5.00 115.64 100.15 3fwp s THR 5161Ca 0.09 -1.93 0.14 0.00 -1.18 0.00 0.00 61.69 58.80 3fwp s THR 5161Cb 0.11 -1.78 -0.14 0.00 1.34 0.00 0.00 72.50 72.03 3fwp s THR 5161CO 0.29 -0.46 0.96 0.15 -0.54 0.00 0.00 174.62 175.02 3fwp h PHE 5162N 3.14 0.00 0.00 3.99 3.04 -1.97 -3.39 116.94 121.75 3fwp h PHE 5162Ca -0.40 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.55 3fwp h PHE 5162Cb 1.20 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.71 3fwp h PHE 5162CO 0.68 0.76 0.00 0.66 -2.02 0.00 0.00 178.31 178.39 3fwp n TYR 5163N -3.07 0.00 0.02 0.41 4.02 -1.26 -4.43 117.16 112.85 3fwp n TYR 5163Ca -0.08 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.81 3fwp n TYR 5163Cb 0.90 0.00 0.32 0.00 -0.02 0.00 0.00 39.34 40.54 3fwp n TYR 5163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3fwp h PRO 5164N 0.00 0.48 0.00 -0.72 0.13 -1.88 -1.32 132.00 128.68 3fwp h PRO 5164Ca 0.00 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 3fwp h PRO 5164Cb 0.00 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.06 3fwp h PRO 5164CO 0.00 0.51 0.00 0.78 -0.23 0.00 0.00 178.00 179.06 3fwp h GLY 5165N 0.80 0.00 -2.01 1.56 0.00 -1.87 -0.60 103.07 100.94 3fwp h GLY 5165Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 3fwp h GLY 5165CO 0.01 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.49 3fwp n GLN 5166N -2.88 3.32 -4.01 4.80 6.02 -0.68 -4.92 117.38 119.04 3fwp n GLN 5166Ca -0.00 -2.78 -0.28 0.00 -0.01 0.00 0.00 57.00 53.92 3fwp n GLN 5166Cb 0.22 -1.83 -0.02 0.00 1.02 0.00 0.00 30.24 29.63 3fwp n GLN 5166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3fwp n GLU 5167N -0.01 -3.57 -3.25 -1.09 2.13 -0.23 -4.91 120.64 109.72 3fwp n GLU 5167Ca 0.21 0.43 -0.38 0.00 0.66 0.00 0.00 57.16 58.07 3fwp n GLU 5167Cb 0.87 -4.80 -0.06 0.00 0.27 0.00 0.00 31.44 27.73 3fwp n GLU 5167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3fwp s ARG 5168N -6.63 4.32 0.00 5.31 0.52 -0.59 -4.96 118.95 116.92 3fwp s ARG 5168Ca 0.25 0.61 0.13 0.00 -0.52 0.00 0.00 55.73 56.20 3fwp s ARG 5168Cb -0.14 -3.40 -0.09 0.00 0.52 0.00 0.00 34.95 31.85 3fwp s ARG 5168CO 0.89 0.24 0.61 0.66 0.02 0.00 0.00 175.30 177.72 3fwp n TYR 5169N 3.28 0.00 -1.24 -0.53 4.02 -1.26 -4.39 117.16 117.04 3fwp n TYR 5169Ca -0.06 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.47 3fwp n TYR 5169Cb 0.51 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.79 3fwp n TYR 5169CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3fwp n ASP 5170N -0.88 8.22 -4.18 7.72 5.75 -1.26 -4.15 116.55 127.76 3fwp n ASP 5170Ca 0.03 -2.54 -0.24 0.00 -0.01 0.00 0.00 54.79 52.03 3fwp n ASP 5170Cb 0.22 -1.52 -0.09 0.00 -1.03 0.00 0.00 41.12 38.71 3fwp n ASP 5170CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3fwp s THR 5171N 2.14 0.68 0.12 2.12 -4.23 -1.26 -5.02 115.64 110.20 3fwp s THR 5171Ca 0.68 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.94 3fwp s THR 5171Cb 0.19 -2.43 -0.04 0.00 1.34 0.00 0.00 72.50 71.55 3fwp s THR 5171CO -0.05 0.00 1.64 0.22 -0.54 0.00 0.00 174.62 175.89 3fwp h TYR 5172N 1.87 -0.63 0.00 3.99 5.03 -1.99 -3.04 116.97 122.20 3fwp h TYR 5172Ca -0.36 0.02 -0.15 0.00 2.58 0.00 0.00 58.73 60.82 3fwp h TYR 5172Cb 1.27 0.28 -0.02 0.00 1.55 0.00 0.00 36.73 39.81 3fwp h TYR 5172CO 1.31 -0.32 -0.78 0.66 -1.32 0.00 0.00 178.16 177.70 3fwp h SER 5173N -0.35 0.00 -0.17 -2.11 4.64 -1.97 -3.47 113.55 110.11 3fwp h SER 5173Ca 0.07 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.31 3fwp h SER 5173Cb 0.45 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 3fwp h SER 5173CO -0.23 0.70 -0.07 0.61 -0.87 0.00 0.00 176.83 176.97 3fwp n GLY 5174N 1.29 0.50 3.52 -0.77 0.00 -1.15 -4.99 105.19 103.59 3fwp n GLY 5174Ca -0.00 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 3fwp n GLY 5174CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fwp s ARG 5175N -1.82 1.89 -0.09 1.61 1.70 -1.26 -4.89 118.95 116.08 3fwp s ARG 5175Ca 0.00 -1.18 0.02 0.00 -0.47 0.00 0.00 55.73 54.10 3fwp s ARG 5175Cb 0.00 -2.15 0.01 0.00 -0.57 0.00 0.00 34.95 32.24 3fwp s ARG 5175CO 0.00 0.47 -0.14 0.08 -1.08 0.00 0.00 175.30 174.63 3fwp s VAL 5176N -1.28 1.39 0.55 4.99 1.01 -1.26 -4.90 120.40 120.89 3fwp s VAL 5176Ca 0.20 -0.59 -0.19 0.00 0.00 0.00 0.00 61.98 61.39 3fwp s VAL 5176Cb -0.10 -1.26 -0.08 0.00 0.00 0.00 0.00 36.38 34.93 3fwp s VAL 5176CO 0.12 0.42 0.72 0.55 0.00 0.00 0.00 175.10 176.90 3fwp n VAL 5177N 4.04 2.66 -0.29 2.92 3.14 -1.26 -4.51 118.33 125.03 3fwp n VAL 5177Ca -0.20 -0.50 0.08 0.00 -2.96 0.00 0.00 64.34 60.75 3fwp n VAL 5177Cb 0.51 -0.86 0.19 0.00 -1.06 0.00 0.00 33.84 32.62 3fwp n VAL 5177CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 3fwp h ARG 5178N 0.53 0.06 -0.95 1.45 2.43 -2.00 0.11 114.38 116.01 3fwp h ARG 5178Ca -0.46 -0.00 0.24 0.00 -0.81 0.00 0.00 59.98 58.94 3fwp h ARG 5178Cb 1.38 -0.01 -0.12 0.00 -0.42 0.00 0.00 29.97 30.79 3fwp h ARG 5178CO 0.50 0.04 0.51 -0.09 -1.51 0.00 0.00 179.97 179.41 3fwp h ARG 5179N 0.06 0.48 -0.01 0.20 2.43 -2.02 -2.68 114.38 112.84 3fwp h ARG 5179Ca 0.47 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 3fwp h ARG 5179Cb 0.85 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 3fwp h ARG 5179CO -0.79 0.32 -0.50 1.19 -1.51 0.00 0.00 179.97 178.68 3fwp n PHE 5180N -4.96 0.00 -1.84 2.20 3.01 -0.04 -4.74 117.46 111.09 3fwp n PHE 5180Ca 0.25 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.29 3fwp n PHE 5180Cb 0.71 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.15 3fwp n PHE 5180CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3fwp s LYS 5181N -2.33 4.17 0.00 -1.08 1.02 -0.80 -1.96 119.74 118.76 3fwp s LYS 5181Ca 0.14 2.42 0.00 0.00 0.02 0.00 0.00 55.97 58.56 3fwp s LYS 5181Cb 0.15 -3.80 0.00 0.00 -0.52 0.00 0.00 37.83 33.66 3fwp s LYS 5181CO 0.55 -0.83 0.00 0.41 -0.92 0.00 0.00 175.35 174.56 3fwp n GLY 5182N 4.20 0.42 0.17 -3.33 0.00 -1.26 -4.92 105.19 100.47 3fwp n GLY 5182Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 3fwp n GLY 5182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fwp h SER 5183N 0.00 0.47 -0.45 1.61 4.64 -1.69 -2.93 113.55 115.20 3fwp h SER 5183Ca 0.00 -0.32 -0.02 0.00 -0.47 0.00 0.00 61.79 60.99 3fwp h SER 5183Cb 0.21 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 3fwp h SER 5183CO 0.00 1.06 0.22 -0.03 -0.87 0.00 0.00 176.83 177.22 3fwp h MET 5184N 0.26 0.65 -0.82 4.77 -1.53 -1.91 0.23 114.93 116.59 3fwp h MET 5184Ca -0.04 -0.09 0.01 0.00 -3.44 0.00 0.00 59.70 56.14 3fwp h MET 5184Cb 1.34 -0.12 -0.04 0.00 -0.55 0.00 0.00 31.60 32.23 3fwp h MET 5184CO 0.13 0.55 0.54 1.49 0.14 0.00 0.00 176.91 179.76 3fwp h GLU 5185N 0.59 1.07 0.07 0.39 4.22 -1.97 0.31 114.58 119.27 3fwp h GLU 5185Ca 0.16 -0.06 -0.00 0.00 0.08 0.00 0.00 59.36 59.53 3fwp h GLU 5185Cb 0.11 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.12 3fwp h GLU 5185CO -0.02 0.71 -0.04 0.93 -2.18 0.00 0.00 179.01 178.41 3fwp h GLU 5186N 1.11 -0.10 -0.92 1.92 5.08 -1.24 -0.65 114.58 119.77 3fwp h GLU 5186Ca 0.30 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.68 3fwp h GLU 5186Cb -0.12 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.10 3fwp h GLU 5186CO -0.07 -0.06 0.61 -1.49 -1.00 0.00 0.00 179.01 177.00 3fwp h TRP 5187N -0.10 1.16 -0.19 4.33 -0.00 -0.69 -1.84 115.95 118.62 3fwp h TRP 5187Ca -0.01 0.03 0.04 0.00 -0.00 0.00 0.00 58.89 58.94 3fwp h TRP 5187Cb 0.08 -0.39 -0.03 0.00 -0.00 0.00 0.00 29.16 28.81 3fwp h TRP 5187CO -0.07 0.72 -0.03 0.37 -0.00 0.00 0.00 178.44 179.42 3fwp h GLN 5188N 1.24 0.02 0.00 0.49 -0.00 -0.64 -1.03 115.11 115.19 3fwp h GLN 5188Ca 0.34 -0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.96 3fwp h GLN 5188Cb -0.13 -0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.35 3fwp h GLN 5188CO -0.08 0.01 -0.13 0.00 0.00 0.00 0.00 178.83 178.63 3fwp h ALA 5189N 1.18 1.65 -0.02 3.38 0.00 -0.79 -1.37 119.26 123.28 3fwp h ALA 5189Ca 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fwp h ALA 5189Cb 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3fwp h ALA 5189CO -0.18 0.16 0.00 -1.33 0.00 0.00 0.00 179.25 177.90 3fwp n MET 5190N -4.19 1.33 -0.76 0.00 2.81 -0.72 -4.93 117.12 110.67 3fwp n MET 5190Ca -0.02 -0.49 0.00 0.00 -1.81 0.00 0.00 57.70 55.38 3fwp n MET 5190Cb 0.21 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 3fwp n MET 5190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3fwp n GLY 5191N 1.06 0.62 3.72 3.03 0.00 -0.52 -5.02 105.19 108.09 3fwp n GLY 5191Ca 0.20 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3fwp n GLY 5191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fwp s VAL 5192N -2.00 2.24 0.00 1.61 1.01 -0.45 -4.58 120.40 118.24 3fwp s VAL 5192Ca 0.00 0.18 -0.20 0.00 0.00 0.00 0.00 61.98 61.95 3fwp s VAL 5192Cb 0.00 -3.11 -0.22 0.00 0.00 0.00 0.00 36.38 33.05 3fwp s VAL 5192CO 0.00 0.02 1.12 0.24 0.00 0.00 0.00 175.10 176.48 3fwp h MET 5193N 6.48 0.38 -2.91 2.72 0.00 -0.69 -3.40 114.93 117.49 3fwp h MET 5193Ca -0.43 -0.37 0.07 0.00 0.00 0.00 0.00 59.70 58.97 3fwp h MET 5193Cb 1.20 0.09 -0.05 0.00 0.00 0.00 0.00 31.60 32.85 3fwp h MET 5193CO 0.92 1.03 0.27 0.54 0.00 0.00 0.00 176.91 179.67 3fwp s ASN 5194N -6.60 -0.21 -0.08 1.22 4.22 -1.26 -0.82 114.94 111.41 3fwp s ASN 5194Ca -0.14 -0.66 0.00 0.00 -2.14 0.00 0.00 52.86 49.93 3fwp s ASN 5194Cb 0.03 0.71 -0.03 0.00 1.28 0.00 0.00 41.25 43.25 3fwp s ASN 5194CO 0.80 -1.34 -0.07 -0.31 -2.04 0.00 0.00 177.10 174.15 3fwp s TYR 5195N -3.60 2.94 0.00 1.54 2.02 -1.14 -0.48 117.35 118.63 3fwp s TYR 5195Ca 0.12 -0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.80 3fwp s TYR 5195Cb -0.05 -1.74 0.00 0.00 -0.40 0.00 0.00 41.96 39.77 3fwp s TYR 5195CO 0.07 0.29 0.00 -0.85 -1.57 0.00 0.00 175.55 173.49 3fwp n GLU 5196N 2.37 0.00 0.00 -0.62 -0.00 -0.55 -4.04 120.64 117.79 3fwp n GLU 5196Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 3fwp n GLU 5196Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 3fwp n GLU 5196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3fwp n MET 5197N 0.00 0.04 0.00 3.44 2.81 -1.26 -0.53 117.12 121.62 3fwp n MET 5197Ca 0.00 -0.46 0.00 0.00 -1.81 0.00 0.00 57.70 55.43 3fwp n MET 5197Cb 0.00 -0.76 0.00 0.00 -0.71 0.00 0.00 33.22 31.75 3fwp n MET 5197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3fwp n GLU 5198N -0.07 2.35 -0.17 0.03 4.71 -1.26 -3.33 120.64 122.90 3fwp n GLU 5198Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.16 57.05 3fwp n GLU 5198Cb 0.19 -0.81 0.03 0.00 -1.01 0.00 0.00 31.44 29.84 3fwp n GLU 5198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3fwp h SER 5199N 0.00 1.01 -0.53 1.62 4.64 -1.94 -1.44 113.55 116.90 3fwp h SER 5199Ca 0.00 -0.34 0.08 0.00 -0.47 0.00 0.00 61.79 61.05 3fwp h SER 5199Cb 0.07 -0.27 -0.06 0.00 -0.31 0.00 0.00 62.40 61.82 3fwp h SER 5199CO 0.00 1.13 0.19 0.00 -0.87 0.00 0.00 176.83 177.28 3fwp h ALA 5200N 0.95 0.66 0.35 5.18 0.00 -1.86 0.41 119.26 124.94 3fwp h ALA 5200Ca 0.13 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3fwp h ALA 5200Cb 0.70 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3fwp h ALA 5200CO 0.05 -0.21 -0.17 1.15 0.00 0.00 0.00 179.25 180.08 3fwp h THR 5201N 0.37 0.64 -0.19 0.00 2.02 -1.87 -2.11 112.91 111.76 3fwp h THR 5201Ca 0.26 -0.50 0.05 0.00 0.77 0.00 0.00 66.41 66.99 3fwp h THR 5201Cb 0.29 0.88 -0.06 0.00 -1.74 0.00 0.00 68.15 67.52 3fwp h THR 5201CO -0.27 0.09 -0.24 0.25 0.37 0.00 0.00 175.52 175.73 3fwp h LEU 5202N -0.76 -0.75 -0.40 2.58 5.85 -1.00 -0.74 115.31 120.08 3fwp h LEU 5202Ca -0.05 0.13 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 3fwp h LEU 5202Cb 0.51 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 3fwp h LEU 5202CO 0.08 -0.28 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.61 3fwp h LEU 5203N -0.27 0.89 -0.25 2.25 3.38 -0.25 -2.18 115.31 118.88 3fwp h LEU 5203Ca 0.12 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 3fwp h LEU 5203Cb 0.45 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3fwp h LEU 5203CO -0.34 1.11 0.01 0.74 0.09 0.00 0.00 178.44 180.04 3fwp h THR 5204N 0.68 1.25 -0.13 0.22 2.02 -1.28 -0.63 112.91 115.03 3fwp h THR 5204Ca 0.09 -0.88 -0.07 0.00 0.77 0.00 0.00 66.41 66.31 3fwp h THR 5204Cb 0.79 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 3fwp h THR 5204CO 0.06 0.28 -0.25 0.00 0.37 0.00 0.00 175.52 175.98 3fwp h MET 5205N 0.21 0.23 0.06 6.66 -0.00 -1.07 -2.17 114.93 118.84 3fwp h MET 5205Ca 0.07 -0.07 -0.12 0.00 -0.00 0.00 0.00 59.70 59.58 3fwp h MET 5205Cb 0.40 -0.02 0.01 0.00 -0.00 0.00 0.00 31.60 31.99 3fwp h MET 5205CO 0.01 0.47 -0.51 0.00 -0.00 0.00 0.00 176.91 176.88 3fwp h ALA 5207N 0.16 1.39 -0.20 0.00 0.00 -1.03 -0.36 119.26 119.22 3fwp h ALA 5207Ca -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3fwp h ALA 5207Cb 1.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3fwp h ALA 5207CO 0.10 0.22 0.00 -1.13 0.00 0.00 0.00 179.25 178.44 3fwp n SER 5208N -3.87 2.71 -0.28 0.00 3.41 -0.83 -4.34 113.62 110.42 3fwp n SER 5208Ca -0.02 -1.88 0.02 0.00 -0.26 0.00 0.00 58.87 56.74 3fwp n SER 5208Cb 0.27 -0.12 0.03 0.00 -0.26 0.00 0.00 64.21 64.13 3fwp n SER 5208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fwp n GLN 5209N 1.04 0.51 -2.34 4.33 6.02 -0.88 -5.01 117.38 121.04 3fwp n GLN 5209Ca 0.17 -1.31 -0.11 0.00 -0.01 0.00 0.00 57.00 55.75 3fwp n GLN 5209Cb 0.51 -0.76 0.00 0.00 1.02 0.00 0.00 30.24 31.02 3fwp n GLN 5209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3fwp n GLY 5210N -0.36 -0.02 3.51 1.08 0.00 -1.05 -5.02 105.19 103.33 3fwp n GLY 5210Ca 0.04 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 3fwp n GLY 5210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fwp s LEU 5211N -3.24 2.81 -0.08 0.99 1.43 -0.20 -5.05 118.68 115.34 3fwp s LEU 5211Ca 0.05 -0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 52.59 3fwp s LEU 5211Cb -0.02 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.51 3fwp s LEU 5211CO 0.06 0.22 0.39 -0.13 0.23 0.00 0.00 176.35 177.13 3fwp s ARG 5212N -1.78 4.14 0.01 1.70 0.52 0.26 -3.91 118.95 119.89 3fwp s ARG 5212Ca 0.17 0.33 0.00 0.00 -0.52 0.00 0.00 55.73 55.72 3fwp s ARG 5212Cb -0.11 -3.35 -0.01 0.00 0.52 0.00 0.00 34.95 32.00 3fwp s ARG 5212CO 0.09 0.40 -0.03 0.00 0.02 0.00 0.00 175.30 175.78 3fwp s ALA 5213N -0.10 0.15 0.13 2.13 0.00 -1.26 -0.02 121.76 122.79 3fwp s ALA 5213Ca 0.22 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.80 3fwp s ALA 5213Cb -0.15 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 3fwp s ALA 5213CO 0.10 -0.07 0.04 0.20 0.00 0.00 0.00 175.76 176.03 3fwp s GLY 5214N -0.87 0.99 -0.06 0.00 0.00 -0.33 0.14 107.32 107.20 3fwp s GLY 5214Ca -0.08 -1.47 -0.05 0.00 0.00 0.00 0.00 44.72 43.12 3fwp s GLY 5214CO -0.00 -1.39 0.14 -0.29 0.00 0.00 0.00 173.10 171.56 3fwp s MET 5215N -4.01 0.15 0.04 2.90 1.75 -1.26 -1.02 119.30 117.84 3fwp s MET 5215Ca 0.23 0.23 0.05 0.00 -1.25 0.00 0.00 55.69 54.95 3fwp s MET 5215Cb 0.07 0.03 -0.02 0.00 2.84 0.00 0.00 34.83 37.76 3fwp s MET 5215CO 0.01 -0.05 -0.14 0.54 -0.65 0.00 0.00 175.02 174.74 3fwp s VAL 5216N 0.28 1.10 0.00 10.11 0.11 -0.71 -1.55 120.40 129.73 3fwp s VAL 5216Ca -0.02 -0.98 -0.10 0.00 -2.93 0.00 0.00 61.98 57.96 3fwp s VAL 5216Cb -0.03 -0.99 0.01 0.00 -1.53 0.00 0.00 36.38 33.83 3fwp s VAL 5216CO -0.01 0.01 0.19 0.00 -3.33 0.00 0.00 175.10 171.96 3fwp s ALA 5217N -0.84 -0.45 -0.16 1.54 0.00 0.15 -1.96 121.76 120.05 3fwp s ALA 5217Ca 0.01 -0.03 -0.10 0.00 0.00 0.00 0.00 51.96 51.85 3fwp s ALA 5217Cb -0.08 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.12 3fwp s ALA 5217CO 0.01 -0.24 0.18 0.20 0.00 0.00 0.00 175.76 175.91 3fwp s GLY 5218N -1.44 2.13 -0.19 0.00 0.00 -0.67 -0.16 107.32 106.99 3fwp s GLY 5218Ca -0.14 -0.60 -0.27 0.00 0.00 0.00 0.00 44.72 43.71 3fwp s GLY 5218CO 0.02 0.03 0.91 0.14 0.00 0.00 0.00 173.10 174.19 3fwp s VAL 5219N -0.15 4.81 -0.25 1.40 1.01 0.23 0.11 120.40 127.56 3fwp s VAL 5219Ca 0.13 1.78 0.04 0.00 0.00 0.00 0.00 61.98 63.92 3fwp s VAL 5219Cb -0.12 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 3fwp s VAL 5219CO 0.02 -0.04 0.28 2.30 0.00 0.00 0.00 175.10 177.66 3fwp n ILE 5220N 4.93 0.00 -3.56 2.22 -5.35 -0.73 0.11 119.36 116.99 3fwp n ILE 5220Ca 0.07 -0.44 -0.15 0.00 -0.27 0.00 0.00 62.75 61.95 3fwp n ILE 5220Cb 0.48 1.02 -0.06 0.00 -1.74 0.00 0.00 39.64 39.34 3fwp n ILE 5220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3fwp s VAL 5221N -1.05 0.00 -0.17 7.28 0.11 -1.25 -4.91 120.40 120.42 3fwp s VAL 5221Ca 0.02 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.07 3fwp s VAL 5221Cb 0.03 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.88 3fwp s VAL 5221CO 0.12 0.00 -0.15 0.21 -3.33 0.00 0.00 175.10 171.94 3fwp s ASN 5222N -0.83 3.60 0.00 3.54 3.84 -1.26 -1.37 114.94 122.46 3fwp s ASN 5222Ca -0.07 -0.51 0.20 0.00 0.21 0.00 0.00 52.86 52.70 3fwp s ASN 5222Cb -0.01 -1.56 1.01 0.00 -0.55 0.00 0.00 41.25 40.14 3fwp s ASN 5222CO 0.06 0.05 1.64 0.54 -2.79 0.00 0.00 177.10 176.60 3fwp n ARG 5223N 4.28 0.26 0.03 0.43 5.12 0.82 -4.94 116.66 122.67 3fwp n ARG 5223Ca -0.19 0.10 -0.06 0.00 -1.93 0.00 0.00 57.85 55.77 3fwp n ARG 5223Cb 0.51 -1.50 -0.11 0.00 -1.16 0.00 0.00 32.46 30.20 3fwp n ARG 5223CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 3fwp h THR 5224N 0.00 1.17 0.00 0.55 1.35 -1.87 -3.50 112.91 110.62 3fwp h THR 5224Ca 0.00 -2.88 0.00 0.00 -0.55 0.00 0.00 66.41 62.98 3fwp h THR 5224Cb 0.21 2.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 3fwp h THR 5224CO 0.00 0.67 0.00 1.67 -0.25 0.00 0.00 175.52 177.61 3fwp n GLN 5236N -3.17 0.00 -0.04 4.72 -0.06 -1.26 -5.13 117.38 112.44 3fwp n GLN 5236Ca -0.07 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 54.80 3fwp n GLN 5236Cb 0.95 0.00 -0.08 0.00 -4.06 0.00 0.00 30.24 27.05 3fwp n GLN 5236CO 0.00 0.00 0.00 1.15 -0.20 0.00 0.00 177.06 178.01 3fwp h THR 5237N 0.00 1.35 -0.26 1.69 2.02 -1.94 -3.09 112.91 112.68 3fwp h THR 5237Ca 0.00 -1.21 0.05 0.00 0.77 0.00 0.00 66.41 66.02 3fwp h THR 5237Cb 0.00 1.93 -0.04 0.00 -1.74 0.00 0.00 68.15 68.30 3fwp h THR 5237CO 0.00 0.34 -0.02 -0.08 0.37 0.00 0.00 175.52 176.14 3fwp h GLU 5238N -0.16 0.06 0.00 6.66 4.81 -1.95 -2.52 114.58 121.48 3fwp h GLU 5238Ca 0.02 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3fwp h GLU 5238Cb 0.59 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.95 3fwp h GLU 5238CO 0.02 0.04 0.00 0.66 -0.73 0.00 0.00 179.01 179.00 3fwp h SER 5239N 0.06 0.00 0.17 1.04 4.64 -1.98 0.20 113.55 117.67 3fwp h SER 5239Ca 0.13 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.18 3fwp h SER 5239Cb 0.17 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.28 3fwp h SER 5239CO -0.23 0.00 -1.23 0.45 -0.87 0.00 0.00 176.83 174.95 3fwp h HIS 5240N 0.00 0.65 -0.75 4.77 3.86 -1.39 -1.82 115.15 120.47 3fwp h HIS 5240Ca 0.00 -0.47 -0.04 0.00 -1.16 0.00 0.00 60.37 58.70 3fwp h HIS 5240Cb 0.25 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.66 3fwp h HIS 5240CO 0.00 1.48 0.32 0.00 0.86 0.00 0.00 177.93 180.59 3fwp h ALA 5241N 0.07 1.17 -0.44 2.45 0.00 -1.03 -2.05 119.26 119.42 3fwp h ALA 5241Ca -0.23 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 3fwp h ALA 5241Cb 1.85 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 3fwp h ALA 5241CO 0.16 0.61 0.17 0.28 0.00 0.00 0.00 179.25 180.48 3fwp h VAL 5242N 1.07 1.20 -0.91 0.00 2.07 -0.69 -1.36 116.25 117.63 3fwp h VAL 5242Ca 0.25 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3fwp h VAL 5242Cb 0.16 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 3fwp h VAL 5242CO -0.03 0.23 0.58 0.50 0.02 0.00 0.00 177.57 178.88 3fwp h LYS 5243N 0.57 1.22 -0.18 1.57 3.64 -1.20 -2.39 116.57 119.80 3fwp h LYS 5243Ca 0.15 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3fwp h LYS 5243Cb 0.20 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3fwp h LYS 5243CO -0.01 0.83 0.05 0.82 -2.27 0.00 0.00 179.45 178.87 3fwp h ILE 5244N 1.25 1.20 -0.37 2.00 2.04 -1.02 -1.55 117.51 121.05 3fwp h ILE 5244Ca 0.33 -0.63 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 3fwp h ILE 5244Cb -0.10 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 3fwp h ILE 5244CO -0.07 0.19 0.02 1.62 0.00 0.00 0.00 178.15 179.91 3fwp h VAL 5245N 0.11 1.20 -0.11 1.67 3.04 -1.09 0.98 116.25 122.05 3fwp h VAL 5245Ca 0.06 -0.80 -0.09 0.00 -1.01 0.00 0.00 66.70 64.86 3fwp h VAL 5245Cb 0.25 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 30.44 3fwp h VAL 5245CO -0.00 0.28 -0.26 0.58 -1.01 0.00 0.00 177.57 177.15 3fwp h VAL 5246N 0.56 1.38 -0.66 1.51 2.07 -1.35 -0.84 116.25 118.92 3fwp h VAL 5246Ca 0.12 -1.56 -0.04 0.00 0.82 0.00 0.00 66.70 66.04 3fwp h VAL 5246Cb 0.33 2.10 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 3fwp h VAL 5246CO 0.01 0.46 0.24 -0.08 0.02 0.00 0.00 177.57 178.22 3fwp h GLU 5247N -0.05 0.97 -0.40 1.57 4.57 -1.11 -1.18 114.58 118.96 3fwp h GLU 5247Ca -0.00 -0.17 -0.02 0.00 -1.18 0.00 0.00 59.36 57.98 3fwp h GLU 5247Cb 0.87 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 3fwp h GLU 5247CO 0.06 0.81 0.16 0.00 -1.18 0.00 0.00 179.01 178.86 3fwp h ALA 5248N 1.31 0.53 -0.75 2.92 0.00 -0.77 -2.80 119.26 119.70 3fwp h ALA 5248Ca 0.22 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.06 3fwp h ALA 5248Cb 0.21 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 3fwp h ALA 5248CO -0.02 0.13 0.42 0.00 0.00 0.00 0.00 179.25 179.79 3fwp h ALA 5249N 1.00 1.03 -1.00 0.00 0.00 -0.82 -1.24 119.26 118.23 3fwp h ALA 5249Ca 0.13 0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.25 3fwp h ALA 5249Cb 0.20 -0.13 -0.10 0.00 0.00 0.00 0.00 17.79 17.75 3fwp h ALA 5249CO -0.01 0.09 0.61 -0.09 0.00 0.00 0.00 179.25 179.85 3fwp h ARG 5250N 0.75 0.76 -0.00 0.00 2.43 -0.97 -1.13 114.38 116.22 3fwp h ARG 5250Ca 0.35 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 3fwp h ARG 5250Cb 0.26 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3fwp h ARG 5250CO -0.21 0.50 -0.02 0.54 -1.51 0.00 0.00 179.97 179.27 3fwp n ARG 5251N -4.75 0.38 -0.03 0.20 1.74 -0.48 -3.77 116.66 109.95 3fwp n ARG 5251Ca 0.23 -0.02 0.03 0.00 -0.77 0.00 0.00 57.85 57.32 3fwp n ARG 5251Cb 0.56 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.54 3fwp n ARG 5251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3fwp n LEU 5252N -1.29 1.83 0.00 0.55 4.77 -0.44 -5.04 117.00 117.37 3fwp n LEU 5252Ca 0.13 -1.26 0.15 0.00 -0.03 0.00 0.00 56.01 55.00 3fwp n LEU 5252Cb 0.26 -0.04 0.89 0.00 -2.33 0.00 0.00 43.42 42.21 3fwp n LEU 5252CO 0.24 0.40 1.06 0.18 -1.33 0.00 0.00 177.39 177.94