#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5u n GLN 4213N 0.00 0.38 -2.77 0.38 6.02 -1.26 -4.88 117.38 115.25 1a5u n GLN 4213Ca 0.00 0.19 -0.21 0.00 -0.01 0.00 0.00 57.00 56.98 1a5u n GLN 4213Cb 0.00 -2.30 0.06 0.00 1.02 0.00 0.00 30.24 29.02 1a5u n GLN 4213CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1a5u s THR 4214N -1.93 2.46 -1.62 5.09 -4.23 -1.26 -4.41 115.64 109.72 1a5u s THR 4214Ca 0.73 -0.77 -0.17 0.00 -1.18 0.00 0.00 61.69 60.30 1a5u s THR 4214Cb -0.32 -2.69 0.13 0.00 1.34 0.00 0.00 72.50 70.96 1a5u s THR 4214CO 0.51 0.00 0.85 1.67 -0.54 0.00 0.00 174.62 177.11 1a5u n GLN 4215N -2.39 -4.08 -3.44 3.99 7.27 0.19 -1.80 117.38 117.13 1a5u n GLN 4215Ca 0.12 0.46 -0.23 0.00 0.07 0.00 0.00 57.00 57.41 1a5u n GLN 4215Cb 0.60 -5.26 -0.02 0.00 2.41 0.00 0.00 30.24 27.98 1a5u n GLN 4215CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1a5u n GLN 4216N -4.47 -2.91 0.27 3.69 1.13 -1.26 -4.80 117.38 109.02 1a5u n GLN 4216Ca 0.06 0.36 0.15 0.00 -1.94 0.00 0.00 57.00 55.64 1a5u n GLN 4216Cb 0.50 -5.03 0.71 0.00 0.11 0.00 0.00 30.24 26.54 1a5u n GLN 4216CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1a5u h LEU 4217N -0.83 0.00 -0.01 1.08 3.38 -1.64 -0.49 115.31 116.80 1a5u h LEU 4217Ca -0.40 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.46 1a5u h LEU 4217Cb 1.27 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.03 1a5u h LEU 4217CO 0.52 0.08 -0.43 -0.74 0.09 0.00 0.00 178.44 177.97 1a5u h HIS 4218N 0.00 0.45 -0.28 1.13 2.76 -1.87 -3.24 115.15 114.10 1a5u h HIS 4218Ca -0.00 -0.24 -0.07 0.00 -2.20 0.00 0.00 60.37 57.86 1a5u h HIS 4218Cb 0.46 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.35 1a5u h HIS 4218CO 0.00 1.04 -0.14 0.00 -1.30 0.00 0.00 177.93 177.53 1a5u h ALA 4219N 0.31 1.26 -0.26 5.26 0.00 -1.70 -1.96 119.26 122.16 1a5u h ALA 4219Ca -0.05 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.66 1a5u h ALA 4219Cb 1.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1a5u h ALA 4219CO 0.08 0.49 0.26 0.00 0.00 0.00 0.00 179.25 180.08 1a5u h ALA 4220N 1.43 1.95 -0.00 0.00 0.00 -1.12 -0.95 119.26 120.57 1a5u h ALA 4220Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1a5u h ALA 4220Cb 0.50 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1a5u h ALA 4220CO 0.03 -0.39 -0.18 -1.33 0.00 0.00 0.00 179.25 177.38 1a5u n MET 4221N -3.88 0.70 -1.28 0.00 2.81 -0.74 -4.69 117.12 110.04 1a5u n MET 4221Ca 0.03 -0.32 -0.33 0.00 -1.81 0.00 0.00 57.70 55.28 1a5u n MET 4221Cb 0.40 -1.49 0.11 0.00 -0.71 0.00 0.00 33.22 31.53 1a5u n MET 4221CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a5u s ALA 4222N -2.52 2.01 -0.09 3.04 0.00 -0.36 -4.95 121.76 118.89 1a5u s ALA 4222Ca 0.26 0.75 0.01 0.00 0.00 0.00 0.00 51.96 52.99 1a5u s ALA 4222Cb 0.20 -3.44 -0.25 0.00 0.00 0.00 0.00 23.12 19.62 1a5u s ALA 4222CO 0.50 -2.03 0.48 -0.25 0.00 0.00 0.00 175.76 174.46 1a5u n ASP 4223N -3.10 1.60 -4.79 0.00 8.00 -1.26 -4.91 116.55 112.09 1a5u n ASP 4223Ca 0.13 0.29 -0.25 0.00 0.71 0.00 0.00 54.79 55.67 1a5u n ASP 4223Cb 0.51 -0.52 -0.06 0.00 -0.02 0.00 0.00 41.12 41.03 1a5u n ASP 4223CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1a5u s THR 4224N -2.57 2.23 0.08 -3.53 -4.23 -1.26 -5.02 115.64 101.33 1a5u s THR 4224Ca -0.15 -1.62 -0.15 0.00 -1.18 0.00 0.00 61.69 58.59 1a5u s THR 4224Cb 0.07 -2.85 -0.18 0.00 1.34 0.00 0.00 72.50 70.88 1a5u s THR 4224CO 0.79 0.00 1.26 0.15 -0.54 0.00 0.00 174.62 176.28 1a5u h PHE 4225N 1.26 0.94 0.02 3.99 3.57 -1.99 -1.45 116.94 123.29 1a5u h PHE 4225Ca -0.42 -0.43 0.03 0.00 3.53 0.00 0.00 57.97 60.68 1a5u h PHE 4225Cb 1.26 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.83 1a5u h PHE 4225CO 0.69 1.25 -0.21 1.25 -2.23 0.00 0.00 178.31 179.06 1a5u h LEU 4226N 0.36 -0.61 -1.76 0.59 5.85 -2.00 -1.45 115.31 116.29 1a5u h LEU 4226Ca -0.06 0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.84 1a5u h LEU 4226Cb 1.36 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.61 1a5u h LEU 4226CO 0.15 -0.28 0.34 -0.08 -0.34 0.00 0.00 178.44 178.22 1a5u h GLU 4227N -0.35 0.27 0.24 1.25 4.81 -1.95 -1.93 114.58 116.93 1a5u h GLU 4227Ca 0.05 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1a5u h GLU 4227Cb 0.41 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1a5u h GLU 4227CO -0.18 0.18 -0.12 1.25 -0.73 0.00 0.00 179.01 179.42 1a5u h HIS 4228N 0.28 -0.30 -0.14 0.92 2.76 -0.26 -2.74 115.15 115.67 1a5u h HIS 4228Ca 0.23 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.42 1a5u h HIS 4228Cb 0.53 0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.56 1a5u h HIS 4228CO -0.00 -0.12 -0.04 0.52 -1.30 0.00 0.00 177.93 176.98 1a5u h MET 4229N -0.41 -0.01 -0.10 5.26 2.86 -0.60 -1.51 114.93 120.42 1a5u h MET 4229Ca -0.03 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1a5u h MET 4229Cb 0.31 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 1a5u h MET 4229CO 0.05 -0.01 0.33 0.00 1.06 0.00 0.00 176.91 178.34 1a5u n ARG 4231N -3.15 0.04 -1.81 0.00 1.74 -0.57 -4.91 116.66 107.99 1a5u n ARG 4231Ca 0.00 0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.67 1a5u n ARG 4231Cb 0.41 -1.52 -0.03 0.00 -1.02 0.00 0.00 32.46 30.30 1a5u n ARG 4231CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1a5u s LEU 4232N -3.16 4.37 -0.20 0.55 1.43 0.29 -4.51 118.68 117.45 1a5u s LEU 4232Ca 0.10 2.79 0.01 0.00 -1.03 0.00 0.00 54.13 56.00 1a5u s LEU 4232Cb 0.17 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.83 1a5u s LEU 4232CO 0.70 -0.90 -0.10 -0.62 0.23 0.00 0.00 176.35 175.66 1a5u s ASP 4233N 1.02 3.43 0.17 2.29 -1.08 -1.26 -4.99 116.67 116.25 1a5u s ASP 4233Ca 0.71 -0.91 0.12 0.00 -0.52 0.00 0.00 52.55 51.95 1a5u s ASP 4233Cb -0.47 -1.23 0.63 0.00 -1.46 0.00 0.00 42.92 40.39 1a5u s ASP 4233CO 0.35 -0.15 1.37 2.30 0.52 0.00 0.00 175.17 179.55 1a5u n ILE 4234N 4.68 1.45 1.12 4.11 -5.35 -1.26 -0.08 119.36 124.03 1a5u n ILE 4234Ca -0.14 0.60 0.12 0.00 -0.27 0.00 0.00 62.75 63.05 1a5u n ILE 4234Cb 0.46 -1.58 0.18 0.00 -1.74 0.00 0.00 39.64 36.96 1a5u n ILE 4234CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1a5u n ASP 4235N -1.90 1.38 -4.50 7.28 8.00 -1.26 -4.77 116.55 120.79 1a5u n ASP 4235Ca -0.00 -1.10 -0.43 0.00 0.71 0.00 0.00 54.79 53.97 1a5u n ASP 4235Cb 0.03 0.34 -0.04 0.00 -0.02 0.00 0.00 41.12 41.43 1a5u n ASP 4235CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1a5u s SER 4236N -2.56 6.26 0.22 -2.24 0.15 0.88 -4.96 113.70 111.45 1a5u s SER 4236Ca 0.20 -0.60 -0.31 0.00 0.70 0.00 0.00 55.95 55.94 1a5u s SER 4236Cb 0.18 -2.44 -0.11 0.00 -1.71 0.00 0.00 66.02 61.94 1a5u s SER 4236CO 0.58 -1.38 1.62 0.00 1.20 0.00 0.00 173.24 175.26 1a5u s ALA 4237N 4.20 3.82 0.94 5.45 0.00 -1.26 -4.30 121.76 130.61 1a5u s ALA 4237Ca 0.28 1.49 -0.12 0.00 0.00 0.00 0.00 51.96 53.61 1a5u s ALA 4237Cb -0.14 -3.65 0.15 0.00 0.00 0.00 0.00 23.12 19.49 1a5u s ALA 4237CO 0.15 -0.88 1.12 -1.25 0.00 0.00 0.00 175.76 174.91 1a5u s PRO 4238N 0.64 0.93 0.65 0.00 0.04 -1.26 0.55 135.00 136.54 1a5u s PRO 4238Ca 0.69 0.40 -0.03 0.00 0.04 0.00 0.00 61.00 62.10 1a5u s PRO 4238Cb -0.47 -1.81 0.05 0.00 0.04 0.00 0.00 34.50 32.32 1a5u s PRO 4238CO 0.36 -2.36 0.93 0.96 0.04 0.00 0.00 177.00 176.93 1a5u s ILE 4239N -3.15 2.41 0.09 0.56 -4.36 -1.26 -4.79 121.20 110.70 1a5u s ILE 4239Ca 0.64 -0.43 -0.19 0.00 -0.26 0.00 0.00 60.65 60.41 1a5u s ILE 4239Cb -0.16 -2.98 -0.08 0.00 1.25 0.00 0.00 42.46 40.48 1a5u s ILE 4239CO 0.55 0.00 1.57 0.71 0.24 0.00 0.00 174.94 178.01 1a5u h THR 4240N -0.35 1.22 -3.41 8.37 1.35 -1.95 -3.45 112.91 114.69 1a5u h THR 4240Ca -0.43 -0.73 -0.52 0.00 -0.55 0.00 0.00 66.41 64.18 1a5u h THR 4240Cb 1.31 1.25 0.04 0.00 -1.73 0.00 0.00 68.15 69.02 1a5u h THR 4240CO 0.56 0.23 0.67 0.00 -0.25 0.00 0.00 175.52 176.73 1a5u s ALA 4241N -5.23 3.54 -0.22 6.62 0.00 -1.26 -5.03 121.76 120.18 1a5u s ALA 4241Ca -0.14 1.16 0.01 0.00 0.00 0.00 0.00 51.96 52.99 1a5u s ALA 4241Cb 0.07 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.73 1a5u s ALA 4241CO 0.73 -0.58 -0.13 0.50 0.00 0.00 0.00 175.76 176.28 1a5u s ARG 4242N -0.27 2.77 0.12 0.00 3.00 -1.26 -4.91 118.95 118.39 1a5u s ARG 4242Ca 0.57 -1.00 -0.08 0.00 -1.00 0.00 0.00 55.73 54.22 1a5u s ARG 4242Cb -0.38 -2.79 -0.11 0.00 0.00 0.00 0.00 34.95 31.68 1a5u s ARG 4242CO 0.40 -0.36 1.31 -0.91 0.00 0.00 0.00 175.30 175.75 1a5u h ASN 4243N 7.92 0.72 -2.70 -2.12 -0.26 -1.92 -3.46 115.58 113.77 1a5u h ASN 4243Ca -0.35 -0.52 -0.55 0.00 -0.56 0.00 0.00 56.30 54.31 1a5u h ASN 4243Cb 1.11 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 38.13 1a5u h ASN 4243CO 0.57 1.31 1.04 -0.89 -1.06 0.00 0.00 177.43 178.41 1a5u s THR 4244N -3.50 3.77 0.27 2.81 2.01 -1.26 -1.30 115.64 118.45 1a5u s THR 4244Ca -0.08 0.93 -0.29 0.00 0.31 0.00 0.00 61.69 62.56 1a5u s THR 4244Cb 0.09 -3.62 -0.10 0.00 0.01 0.00 0.00 72.50 68.88 1a5u s THR 4244CO 0.88 -0.10 1.28 -0.83 -0.69 0.00 0.00 174.62 175.16 1a5u s GLY 4245N 3.07 2.78 -0.23 4.40 0.00 -0.97 -4.89 107.32 111.49 1a5u s GLY 4245Ca 0.68 1.15 -0.02 0.00 0.00 0.00 0.00 44.72 46.53 1a5u s GLY 4245CO 0.26 1.92 -0.07 -0.42 0.00 0.00 0.00 173.10 174.78 1a5u s ILE 4246N -0.64 2.95 -0.26 0.90 1.01 -1.26 -0.68 121.20 123.22 1a5u s ILE 4246Ca 0.51 -0.80 -0.09 0.00 0.00 0.00 0.00 60.65 60.27 1a5u s ILE 4246Cb -0.37 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 1a5u s ILE 4246CO 0.45 0.34 0.12 -0.63 0.00 0.00 0.00 174.94 175.22 1a5u s ILE 4247N 1.38 4.76 -0.22 2.92 1.01 -0.03 -1.82 121.20 129.21 1a5u s ILE 4247Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.65 1a5u s ILE 4247Cb -0.15 -3.24 0.01 0.00 0.01 0.00 0.00 42.46 39.09 1a5u s ILE 4247CO -0.05 0.30 -0.11 0.00 0.00 0.00 0.00 174.94 175.08 1a5u s THR 4249N 1.35 3.52 -0.06 0.00 2.01 -0.62 -0.77 115.64 121.07 1a5u s THR 4249Ca 0.03 0.62 -0.21 0.00 0.31 0.00 0.00 61.69 62.44 1a5u s THR 4249Cb -0.15 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 1a5u s THR 4249CO -0.07 -0.12 0.61 -0.63 -0.69 0.00 0.00 174.62 173.72 1a5u s ILE 4250N 4.71 5.05 0.00 1.82 -1.09 0.39 -2.62 121.20 129.46 1a5u s ILE 4250Ca 0.76 1.26 0.00 0.00 -2.23 0.00 0.00 60.65 60.44 1a5u s ILE 4250Cb -0.32 -3.95 0.00 0.00 -1.58 0.00 0.00 42.46 36.61 1a5u s ILE 4250CO 0.31 0.32 0.00 0.61 -1.23 0.00 0.00 174.94 174.94 1a5u n GLY 4251N 2.98 3.43 0.37 6.18 0.00 -1.26 -4.74 105.19 112.15 1a5u n GLY 4251Ca -0.04 -0.75 0.17 0.00 0.00 0.00 0.00 46.02 45.40 1a5u n GLY 4251CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a5u h PRO 4252N 0.00 0.58 0.00 1.61 0.11 -1.81 1.34 132.00 133.83 1a5u h PRO 4252Ca 0.00 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.95 1a5u h PRO 4252Cb 0.00 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 30.96 1a5u h PRO 4252CO 0.00 0.38 -0.58 0.00 -0.21 0.00 0.00 178.00 177.59 1a5u h ALA 4253N 1.67 0.76 0.00 -0.75 0.00 -0.59 -3.37 119.26 116.98 1a5u h ALA 4253Ca 0.60 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1a5u h ALA 4253Cb 1.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1a5u h ALA 4253CO -0.39 0.72 0.00 -1.13 0.00 0.00 0.00 179.25 178.46 1a5u n SER 4254N -3.44 1.04 0.16 0.00 3.41 0.57 -4.85 113.62 110.51 1a5u n SER 4254Ca 0.00 -1.30 0.06 0.00 -0.26 0.00 0.00 58.87 57.37 1a5u n SER 4254Cb 0.68 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 65.15 1a5u n SER 4254CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1a5u h ARG 4255N 0.00 0.19 -7.06 4.33 3.08 0.14 -3.37 114.38 111.70 1a5u h ARG 4255Ca 0.00 -0.02 -0.52 0.00 0.07 0.00 0.00 59.98 59.51 1a5u h ARG 4255Cb 0.33 -0.04 0.09 0.00 0.08 0.00 0.00 29.97 30.44 1a5u h ARG 4255CO 0.00 0.18 0.48 -1.54 -1.07 0.00 0.00 179.97 178.03 1a5u s SER 4256N -6.92 5.64 0.41 7.04 1.04 -1.26 -4.80 113.70 114.84 1a5u s SER 4256Ca -0.06 2.36 0.07 0.00 0.48 0.00 0.00 55.95 58.80 1a5u s SER 4256Cb 0.17 -2.60 0.85 0.00 0.10 0.00 0.00 66.02 64.53 1a5u s SER 4256CO 0.70 -1.28 2.05 0.58 0.98 0.00 0.00 173.24 176.26 1a5u h VAL 4257N 1.35 1.09 -0.14 5.02 2.07 -1.89 0.23 116.25 123.98 1a5u h VAL 4257Ca -0.50 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 1a5u h VAL 4257Cb 1.27 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1a5u h VAL 4257CO 0.57 0.11 -0.07 -0.08 0.02 0.00 0.00 177.57 178.12 1a5u h GLU 4258N 0.58 0.29 -0.45 1.57 4.81 -1.94 -2.69 114.58 116.75 1a5u h GLU 4258Ca 0.17 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 1a5u h GLU 4258Cb -0.02 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1a5u h GLU 4258CO -0.04 0.62 0.01 1.15 -0.73 0.00 0.00 179.01 180.02 1a5u h THR 4259N -0.05 1.26 -0.41 0.32 2.02 -1.81 -3.21 112.91 111.03 1a5u h THR 4259Ca 0.03 -1.02 0.06 0.00 0.77 0.00 0.00 66.41 66.25 1a5u h THR 4259Cb 0.54 1.04 -0.05 0.00 -1.74 0.00 0.00 68.15 67.93 1a5u h THR 4259CO 0.02 0.35 0.10 -0.07 0.37 0.00 0.00 175.52 176.29 1a5u h LEU 4260N 0.63 0.05 -1.50 2.58 3.38 -0.56 -0.33 115.31 119.56 1a5u h LEU 4260Ca 0.13 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.26 1a5u h LEU 4260Cb 0.48 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 1a5u h LEU 4260CO 0.02 0.06 0.47 0.11 0.09 0.00 0.00 178.44 179.19 1a5u h LYS 4261N 0.24 0.53 0.00 1.13 1.57 -1.49 0.24 116.57 118.79 1a5u h LYS 4261Ca 0.19 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 1a5u h LYS 4261Cb 0.22 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1a5u h LYS 4261CO -0.24 0.35 -0.45 0.93 -0.57 0.00 0.00 179.45 179.48 1a5u h GLU 4262N 0.55 0.00 -0.18 3.15 4.39 -1.11 -1.03 114.58 120.34 1a5u h GLU 4262Ca 0.33 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.89 1a5u h GLU 4262Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1a5u h GLU 4262CO -0.11 0.45 -0.43 0.52 -1.16 0.00 0.00 179.01 178.27 1a5u h MET 4263N 0.00 0.62 0.82 2.33 2.86 0.57 -0.54 114.93 121.58 1a5u h MET 4263Ca -0.00 -0.42 -0.04 0.00 -2.06 0.00 0.00 59.70 57.18 1a5u h MET 4263Cb 0.96 0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.69 1a5u h MET 4263CO 0.06 1.04 -0.39 0.82 1.06 0.00 0.00 176.91 179.49 1a5u h ILE 4264N 0.29 0.17 -0.76 -1.22 2.04 -0.79 0.11 117.51 117.35 1a5u h ILE 4264Ca -0.00 -0.04 0.17 0.00 1.00 0.00 0.00 64.86 65.99 1a5u h ILE 4264Cb 1.04 0.18 -0.13 0.00 -0.74 0.00 0.00 36.82 37.17 1a5u h ILE 4264CO 0.09 0.00 0.00 0.11 0.00 0.00 0.00 178.15 178.36 1a5u h LYS 4265N -1.13 0.10 -0.12 2.37 1.57 -1.26 0.88 116.57 118.98 1a5u h LYS 4265Ca -0.11 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1a5u h LYS 4265Cb 0.85 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 1a5u h LYS 4265CO 0.19 0.06 0.04 0.77 -0.57 0.00 0.00 179.45 179.94 1a5u h SER 4266N 0.10 0.14 0.00 0.86 0.02 -0.72 -3.46 113.55 110.49 1a5u h SER 4266Ca 0.42 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 1a5u h SER 4266Cb 0.73 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1a5u h SER 4266CO -0.67 0.15 0.00 0.61 -1.14 0.00 0.00 176.83 175.77 1a5u n GLY 4267N -1.40 0.46 3.70 -3.77 0.00 0.30 -4.45 105.19 100.04 1a5u n GLY 4267Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1a5u n GLY 4267CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1a5u n MET 4268N 0.00 1.99 0.00 1.61 0.00 0.19 -4.57 117.12 116.35 1a5u n MET 4268Ca 0.00 0.71 0.00 0.00 -0.00 0.00 0.00 57.70 58.41 1a5u n MET 4268Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 33.22 30.83 1a5u n MET 4268CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1a5u n ASN 4269N 0.29 3.39 -3.92 6.12 4.13 -0.75 -4.62 115.26 119.89 1a5u n ASN 4269Ca 0.06 0.00 -0.16 0.00 1.68 0.00 0.00 54.58 56.16 1a5u n ASN 4269Cb 0.39 0.41 -0.15 0.00 -1.54 0.00 0.00 39.78 38.89 1a5u n ASN 4269CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1a5u s VAL 4270N -1.61 0.32 -0.25 2.41 1.01 -1.12 -1.62 120.40 119.54 1a5u s VAL 4270Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 1a5u s VAL 4270Cb 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 36.11 1a5u s VAL 4270CO 0.00 0.11 -0.05 0.00 0.00 0.00 0.00 175.10 175.16 1a5u s ALA 4271N 0.10 2.74 -0.20 5.51 0.00 -1.06 0.21 121.76 129.06 1a5u s ALA 4271Ca -0.01 -1.42 -0.10 0.00 0.00 0.00 0.00 51.96 50.43 1a5u s ALA 4271Cb -0.04 -1.72 -0.05 0.00 0.00 0.00 0.00 23.12 21.31 1a5u s ALA 4271CO -0.00 -0.77 0.14 0.50 0.00 0.00 0.00 175.76 175.63 1a5u s ARG 4272N 1.36 4.18 -0.32 0.00 3.52 0.05 -2.20 118.95 125.54 1a5u s ARG 4272Ca 0.01 -0.21 -0.05 0.00 -0.13 0.00 0.00 55.73 55.35 1a5u s ARG 4272Cb -0.16 -3.43 0.04 0.00 -1.56 0.00 0.00 34.95 29.83 1a5u s ARG 4272CO -0.04 0.28 0.07 -1.64 -0.81 0.00 0.00 175.30 173.16 1a5u s MET 4273N 0.43 2.67 -0.54 5.12 -1.94 -0.90 -0.47 119.30 123.68 1a5u s MET 4273Ca 0.08 -1.13 -0.26 0.00 -1.71 0.00 0.00 55.69 52.67 1a5u s MET 4273Cb -0.11 -3.37 0.03 0.00 2.01 0.00 0.00 34.83 33.39 1a5u s MET 4273CO -0.01 -0.61 1.02 1.21 -0.01 0.00 0.00 175.02 176.62 1a5u s ASN 4274N 1.39 6.42 0.00 3.03 3.84 -1.26 -0.10 114.94 128.25 1a5u s ASN 4274Ca -0.02 -0.07 0.17 0.00 0.21 0.00 0.00 52.86 53.15 1a5u s ASN 4274Cb -0.19 -2.48 1.01 0.00 -0.55 0.00 0.00 41.25 39.04 1a5u s ASN 4274CO 0.02 -1.27 1.46 0.49 -2.79 0.00 0.00 177.10 175.01 1a5u n PHE 4275N 7.71 0.00 1.31 0.43 3.01 0.16 -1.25 117.46 128.83 1a5u n PHE 4275Ca 0.05 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.66 1a5u n PHE 4275Cb 0.48 0.00 0.72 0.00 -0.01 0.00 0.00 39.48 40.67 1a5u n PHE 4275CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1a5u n SER 4276N -0.88 0.00 -4.34 4.37 7.64 -1.26 -4.66 113.62 114.49 1a5u n SER 4276Ca 0.13 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.83 1a5u n SER 4276Cb 0.06 -0.33 -0.10 0.00 -1.01 0.00 0.00 64.21 62.82 1a5u n SER 4276CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1a5u s HIS 4277N -2.66 1.62 0.00 1.43 3.76 -0.38 -4.95 115.29 114.10 1a5u s HIS 4277Ca 0.25 -1.13 0.00 0.00 -0.15 0.00 0.00 55.06 54.03 1a5u s HIS 4277Cb 0.20 -0.97 0.00 0.00 1.11 0.00 0.00 32.58 32.91 1a5u s HIS 4277CO 0.47 -0.26 0.00 0.41 -0.85 0.00 0.00 174.74 174.51 1a5u n GLY 4278N -0.50 -0.94 3.21 -2.22 0.00 -1.26 -4.87 105.19 98.62 1a5u n GLY 4278Ca -0.01 -1.04 -0.14 0.00 0.00 0.00 0.00 46.02 44.83 1a5u n GLY 4278CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a5u s THR 4279N 0.00 1.03 0.37 2.61 -4.23 -1.26 -4.99 115.64 109.18 1a5u s THR 4279Ca 0.00 -1.91 0.15 0.00 -1.18 0.00 0.00 61.69 58.75 1a5u s THR 4279Cb 0.00 -1.67 0.36 0.00 1.34 0.00 0.00 72.50 72.53 1a5u s THR 4279CO 0.00 -0.70 1.77 0.45 -0.54 0.00 0.00 174.62 175.60 1a5u h HIS 4280N 3.06 0.76 -0.41 3.99 -0.00 -1.99 1.04 115.15 121.61 1a5u h HIS 4280Ca -0.37 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 59.96 1a5u h HIS 4280Cb 1.19 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 28.35 1a5u h HIS 4280CO 0.63 0.09 -0.04 1.49 -0.00 0.00 0.00 177.93 180.11 1a5u h GLU 4281N 0.48 0.67 0.25 2.45 4.81 -1.99 -0.43 114.58 120.81 1a5u h GLU 4281Ca 0.59 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.63 1a5u h GLU 4281Cb 1.35 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1a5u h GLU 4281CO -0.33 0.71 -0.12 -0.92 -0.73 0.00 0.00 179.01 177.63 1a5u h TYR 4282N 0.63 -0.31 -0.32 0.92 3.20 0.59 -3.07 116.97 118.61 1a5u h TYR 4282Ca 0.12 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.05 1a5u h TYR 4282Cb 0.45 0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.76 1a5u h TYR 4282CO 0.02 0.06 -0.06 0.45 -1.64 0.00 0.00 178.16 176.99 1a5u h HIS 4283N -0.80 -0.13 -0.80 -3.82 3.86 -0.61 -1.12 115.15 111.73 1a5u h HIS 4283Ca -0.03 0.03 0.15 0.00 -1.16 0.00 0.00 60.37 59.35 1a5u h HIS 4283Cb 0.51 0.11 -0.10 0.00 1.06 0.00 0.00 27.41 28.99 1a5u h HIS 4283CO 0.05 -0.12 0.36 0.00 0.86 0.00 0.00 177.93 179.08 1a5u h ALA 4284N 1.31 1.16 -0.29 2.45 0.00 -1.17 0.50 119.26 123.23 1a5u h ALA 4284Ca 0.15 0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.98 1a5u h ALA 4284Cb 0.23 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1a5u h ALA 4284CO -0.31 -0.17 -0.56 1.49 0.00 0.00 0.00 179.25 179.70 1a5u h GLU 4285N 0.51 0.89 0.17 0.00 4.81 -1.26 0.29 114.58 119.99 1a5u h GLU 4285Ca 0.44 -0.57 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1a5u h GLU 4285Cb 0.66 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1a5u h GLU 4285CO -0.39 1.20 -0.14 1.15 -0.73 0.00 0.00 179.01 180.10 1a5u h THR 4286N 0.68 0.69 -0.61 0.32 2.02 0.05 -0.58 112.91 115.48 1a5u h THR 4286Ca 0.01 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.31 1a5u h THR 4286Cb 1.17 0.69 -0.09 0.00 -1.74 0.00 0.00 68.15 68.18 1a5u h THR 4286CO 0.12 0.00 0.11 0.40 0.37 0.00 0.00 175.52 176.52 1a5u h ILE 4287N -0.33 0.61 -0.97 3.11 2.04 0.02 0.24 117.51 122.23 1a5u h ILE 4287Ca -0.00 -0.08 0.10 0.00 1.00 0.00 0.00 64.86 65.88 1a5u h ILE 4287Cb 0.30 0.36 -0.07 0.00 -0.74 0.00 0.00 36.82 36.66 1a5u h ILE 4287CO -0.02 0.04 0.62 0.50 0.00 0.00 0.00 178.15 179.29 1a5u h LYS 4288N 0.23 0.97 -0.30 2.37 3.64 0.40 -1.74 116.57 122.14 1a5u h LYS 4288Ca 0.32 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.47 1a5u h LYS 4288Cb 0.49 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1a5u h LYS 4288CO -0.43 0.64 -0.47 -0.91 -2.27 0.00 0.00 179.45 176.00 1a5u h ASN 4289N 1.00 0.94 -0.37 4.20 -0.26 0.93 -1.82 115.58 120.20 1a5u h ASN 4289Ca 0.45 -0.51 0.05 0.00 -0.56 0.00 0.00 56.30 55.73 1a5u h ASN 4289Cb 0.39 -0.27 -0.05 0.00 -1.06 0.00 0.00 38.32 37.34 1a5u h ASN 4289CO -0.21 1.28 0.09 0.58 -1.06 0.00 0.00 177.43 178.10 1a5u h VAL 4290N 0.64 0.84 -0.84 2.81 2.07 -0.56 0.25 116.25 121.47 1a5u h VAL 4290Ca 0.03 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1a5u h VAL 4290Cb 1.08 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 1a5u h VAL 4290CO 0.11 0.04 0.53 0.03 0.02 0.00 0.00 177.57 178.30 1a5u h ARG 4291N 0.22 1.12 0.36 1.57 3.08 -1.12 0.33 114.38 119.94 1a5u h ARG 4291Ca 0.17 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1a5u h ARG 4291Cb 0.19 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1a5u h ARG 4291CO -0.21 0.76 -0.31 1.15 -1.07 0.00 0.00 179.97 180.29 1a5u h THR 4292N 1.14 0.35 -0.24 2.04 2.02 -0.61 0.22 112.91 117.83 1a5u h THR 4292Ca 0.30 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.54 1a5u h THR 4292Cb -0.09 0.35 -0.06 0.00 -1.74 0.00 0.00 68.15 66.61 1a5u h THR 4292CO -0.06 0.00 -0.16 0.00 0.37 0.00 0.00 175.52 175.67 1a5u h ALA 4293N -0.16 0.01 0.65 6.16 0.00 -0.01 0.55 119.26 126.47 1a5u h ALA 4293Ca -0.03 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1a5u h ALA 4293Cb 0.60 0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.76 1a5u h ALA 4293CO -0.03 -0.58 -0.31 1.15 0.00 0.00 0.00 179.25 179.48 1a5u h THR 4294N -0.15 0.34 0.00 0.00 2.02 -0.13 -1.90 112.91 113.09 1a5u h THR 4294Ca 0.13 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.25 1a5u h THR 4294Cb 0.35 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1a5u h THR 4294CO -0.33 0.01 0.01 -0.33 0.37 0.00 0.00 175.52 175.25 1a5u h GLU 4295N -0.92 0.00 -0.77 6.66 4.39 -0.26 -1.66 114.58 122.02 1a5u h GLU 4295Ca -0.09 0.00 0.19 0.00 0.34 0.00 0.00 59.36 59.80 1a5u h GLU 4295Cb 0.69 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.29 1a5u h GLU 4295CO 0.15 0.00 0.53 1.03 -1.16 0.00 0.00 179.01 179.56 1a5u h SER 4296N 0.00 0.21 0.16 1.42 0.87 -0.04 -2.27 113.55 113.90 1a5u h SER 4296Ca 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1a5u h SER 4296Cb 0.02 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1a5u h SER 4296CO 0.00 0.09 -0.86 0.49 -0.53 0.00 0.00 176.83 176.02 1a5u n PHE 4297N -4.41 0.01 0.14 2.24 3.72 -0.62 -4.31 117.46 114.22 1a5u n PHE 4297Ca 0.15 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.65 1a5u n PHE 4297Cb 0.69 -0.09 0.50 0.00 -0.94 0.00 0.00 39.48 39.65 1a5u n PHE 4297CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a5u n ALA 4298N -1.51 1.04 -0.27 4.37 0.00 -0.85 -1.91 120.51 121.38 1a5u n ALA 4298Ca 0.04 0.17 0.32 0.00 0.00 0.00 0.00 53.44 53.97 1a5u n ALA 4298Cb 0.34 -1.27 0.73 0.00 0.00 0.00 0.00 19.45 19.24 1a5u n ALA 4298CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1a5u h SER 4299N 0.00 0.03 -3.45 0.00 4.64 -1.75 -3.35 113.55 109.67 1a5u h SER 4299Ca 0.00 0.01 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1a5u h SER 4299Cb 0.00 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 61.70 1a5u h SER 4299CO 0.00 0.01 -0.77 -0.62 -0.87 0.00 0.00 176.83 174.57 1a5u s ASP 4300N -5.34 3.51 0.57 4.97 2.15 -0.80 -5.04 116.67 116.68 1a5u s ASP 4300Ca -0.05 -1.09 0.25 0.00 0.43 0.00 0.00 52.55 52.09 1a5u s ASP 4300Cb 0.23 -0.93 1.61 0.00 -0.30 0.00 0.00 42.92 43.52 1a5u s ASP 4300CO 0.79 -0.28 2.18 1.55 -0.17 0.00 0.00 175.17 179.25 1a5u h PRO 4301N 8.07 0.00 0.00 4.34 0.13 -1.83 0.21 132.00 142.92 1a5u h PRO 4301Ca -0.17 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.87 1a5u h PRO 4301Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 1a5u h PRO 4301CO 0.39 0.00 -1.08 0.82 -0.23 0.00 0.00 178.00 177.89 1a5u h ILE 4302N 0.00 0.36 -0.02 -3.56 1.08 -1.94 -3.35 117.51 110.07 1a5u h ILE 4302Ca 0.03 -1.65 0.00 0.00 -0.39 0.00 0.00 64.86 62.85 1a5u h ILE 4302Cb 0.13 1.91 0.00 0.00 -3.07 0.00 0.00 36.82 35.80 1a5u h ILE 4302CO -0.00 0.20 -0.30 0.18 -0.69 0.00 0.00 178.15 177.54 1a5u n LEU 4303N -2.88 1.97 -4.71 1.44 7.99 -0.87 -4.69 117.00 115.25 1a5u n LEU 4303Ca -0.04 -0.82 -0.42 0.00 -0.01 0.00 0.00 56.01 54.72 1a5u n LEU 4303Cb 0.72 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.99 1a5u n LEU 4303CO 0.41 0.36 0.70 -0.47 -1.51 0.00 0.00 177.39 176.88 1a5u s TYR 4304N -2.01 3.67 -0.16 -1.77 5.04 0.67 -4.97 117.35 117.82 1a5u s TYR 4304Ca 0.17 1.68 0.01 0.00 -2.44 0.00 0.00 57.07 56.49 1a5u s TYR 4304Cb 0.15 -3.14 0.02 0.00 0.35 0.00 0.00 41.96 39.35 1a5u s TYR 4304CO 0.42 -0.09 -0.19 1.03 -1.34 0.00 0.00 175.55 175.39 1a5u s ARG 4305N 0.80 2.78 0.31 4.97 0.52 -1.26 -4.91 118.95 122.16 1a5u s ARG 4305Ca 0.52 -0.75 -0.29 0.00 -0.52 0.00 0.00 55.73 54.68 1a5u s ARG 4305Cb -0.22 -2.41 -0.10 0.00 0.52 0.00 0.00 34.95 32.74 1a5u s ARG 4305CO 0.29 -0.19 1.25 -2.14 0.02 0.00 0.00 175.30 174.53 1a5u s PRO 4306N 1.27 4.43 -0.09 3.54 0.02 -1.26 -4.98 135.00 137.93 1a5u s PRO 4306Ca 0.03 2.10 0.01 0.00 0.02 0.00 0.00 61.00 63.16 1a5u s PRO 4306Cb -0.13 -3.11 0.02 0.00 0.02 0.00 0.00 34.50 31.30 1a5u s PRO 4306CO -0.11 -0.09 -0.10 0.08 -0.33 0.00 0.00 177.00 176.46 1a5u s VAL 4307N -1.05 1.05 0.52 3.83 1.01 -1.26 -4.86 120.40 119.63 1a5u s VAL 4307Ca 0.48 -0.37 -0.09 0.00 0.00 0.00 0.00 61.98 62.01 1a5u s VAL 4307Cb -0.38 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 1a5u s VAL 4307CO 0.49 0.35 0.88 0.00 0.00 0.00 0.00 175.10 176.82 1a5u s ALA 4308N 1.19 3.27 -0.18 5.51 0.00 -0.64 -4.89 121.76 126.02 1a5u s ALA 4308Ca -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1a5u s ALA 4308Cb -0.14 -2.81 0.04 0.00 0.00 0.00 0.00 23.12 20.21 1a5u s ALA 4308CO -0.02 -0.40 -0.08 0.08 0.00 0.00 0.00 175.76 175.33 1a5u s VAL 4309N -2.82 1.40 0.07 0.00 1.01 -1.26 -2.55 120.40 116.26 1a5u s VAL 4309Ca 0.51 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.75 1a5u s VAL 4309Cb -0.10 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1a5u s VAL 4309CO 0.45 0.18 -0.11 0.00 0.00 0.00 0.00 175.10 175.62 1a5u s ALA 4310N 1.51 2.90 -0.17 5.51 0.00 -0.94 -0.93 121.76 129.63 1a5u s ALA 4310Ca 0.00 -1.19 -0.02 0.00 0.00 0.00 0.00 51.96 50.76 1a5u s ALA 4310Cb -0.15 -0.91 -0.01 0.00 0.00 0.00 0.00 23.12 22.05 1a5u s ALA 4310CO -0.08 0.62 -0.10 -1.17 0.00 0.00 0.00 175.76 175.03 1a5u s LEU 4311N -1.90 2.71 -0.23 0.00 0.20 -0.93 -2.11 118.68 116.42 1a5u s LEU 4311Ca 0.19 -0.40 -0.09 0.00 0.69 0.00 0.00 54.13 54.52 1a5u s LEU 4311Cb -0.11 -1.65 -0.04 0.00 -0.43 0.00 0.00 46.19 43.96 1a5u s LEU 4311CO 0.11 0.07 0.12 -0.62 -0.29 0.00 0.00 176.35 175.73 1a5u s ASP 4312N 0.94 5.73 0.45 3.68 -1.08 0.85 -0.66 116.67 126.59 1a5u s ASP 4312Ca -0.02 0.00 -0.20 0.00 -0.52 0.00 0.00 52.55 51.81 1a5u s ASP 4312Cb -0.15 -2.03 -0.10 0.00 -1.46 0.00 0.00 42.92 39.18 1a5u s ASP 4312CO -0.01 0.05 0.97 -0.89 0.52 0.00 0.00 175.17 175.81 1a5u s THR 4313N 1.15 4.32 -0.06 1.71 2.01 -0.50 0.36 115.64 124.64 1a5u s THR 4313Ca 0.06 1.39 -0.14 0.00 0.31 0.00 0.00 61.69 63.30 1a5u s THR 4313Cb -0.14 -3.59 -0.10 0.00 0.01 0.00 0.00 72.50 68.68 1a5u s THR 4313CO 0.04 -0.37 0.57 0.11 -0.69 0.00 0.00 174.62 174.29 1a5u h LYS 4314N 1.69 -0.27 0.00 4.92 1.57 -1.90 -3.38 116.57 119.20 1a5u h LYS 4314Ca -0.49 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.33 1a5u h LYS 4314Cb 1.19 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.55 1a5u h LYS 4314CO 0.61 -0.00 -0.02 0.41 -0.57 0.00 0.00 179.45 179.87 1a5u n GLY 4315N 0.85 -1.87 2.60 3.86 0.00 -1.26 -4.12 105.19 105.23 1a5u n GLY 4315Ca -0.06 -1.34 -0.17 0.00 0.00 0.00 0.00 46.02 44.45 1a5u n GLY 4315CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a5u n PRO 4316N -0.73 1.67 -3.67 1.61 -0.04 -1.26 -4.89 135.00 127.69 1a5u n PRO 4316Ca 0.00 -1.19 -0.21 0.00 -0.04 0.00 0.00 63.50 62.06 1a5u n PRO 4316Cb 0.03 -2.28 -0.03 0.00 -0.04 0.00 0.00 33.50 31.18 1a5u n PRO 4316CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1a5u s GLU 4317N 3.35 2.68 -0.31 0.54 -1.05 -1.26 -4.95 118.70 117.71 1a5u s GLU 4317Ca 0.34 -1.36 -0.04 0.00 -0.15 0.00 0.00 54.97 53.76 1a5u s GLU 4317Cb 0.10 -2.47 0.04 0.00 -0.44 0.00 0.00 34.13 31.36 1a5u s GLU 4317CO -0.02 -0.02 0.04 0.42 0.95 0.00 0.00 175.26 176.62 1a5u s ILE 4318N -2.36 3.35 0.27 1.83 1.01 -1.26 -4.90 121.20 119.14 1a5u s ILE 4318Ca 0.44 -1.18 0.08 0.00 0.00 0.00 0.00 60.65 59.99 1a5u s ILE 4318Cb -0.05 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 1a5u s ILE 4318CO 0.28 -0.07 0.12 -0.13 0.00 0.00 0.00 174.94 175.13 1a5u s ARG 4319N 1.34 2.60 0.43 2.79 1.81 -1.26 -0.73 118.95 125.92 1a5u s ARG 4319Ca -0.03 -1.27 0.07 0.00 -1.72 0.00 0.00 55.73 52.79 1a5u s ARG 4319Cb -0.19 -2.36 0.01 0.00 -0.45 0.00 0.00 34.95 31.96 1a5u s ARG 4319CO 0.00 0.34 0.58 0.99 -0.68 0.00 0.00 175.30 176.53 1a5u s THR 4320N -2.25 3.04 0.60 0.02 2.01 0.27 -0.65 115.64 118.69 1a5u s THR 4320Ca 0.33 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 61.34 1a5u s THR 4320Cb -0.07 -3.03 0.12 0.00 0.01 0.00 0.00 72.50 69.54 1a5u s THR 4320CO 0.23 -0.01 0.83 0.61 -0.69 0.00 0.00 174.62 175.58 1a5u n GLY 4321N -1.88 0.41 3.69 4.40 0.00 0.53 -3.57 105.19 108.79 1a5u n GLY 4321Ca 0.08 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 1a5u n GLY 4321CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a5u s LEU 4322N 0.00 4.31 -0.21 0.99 1.43 -0.42 -2.26 118.68 122.51 1a5u s LEU 4322Ca 0.54 1.87 -0.29 0.00 -1.03 0.00 0.00 54.13 55.22 1a5u s LEU 4322Cb -0.03 -3.56 -0.00 0.00 0.03 0.00 0.00 46.19 42.63 1a5u s LEU 4322CO 0.36 -0.55 1.19 -0.63 0.23 0.00 0.00 176.35 176.95 1a5u s ILE 4323N 1.90 4.40 -1.13 -0.59 -1.09 -1.25 0.39 121.20 123.83 1a5u s ILE 4323Ca 0.57 1.67 -0.11 0.00 -2.23 0.00 0.00 60.65 60.56 1a5u s ILE 4323Cb -0.26 -4.14 0.10 0.00 -1.58 0.00 0.00 42.46 36.58 1a5u s ILE 4323CO 0.24 -0.21 0.39 0.29 -1.23 0.00 0.00 174.94 174.42 1a5u n LYS 4324N 6.63 -2.59 -1.03 2.79 5.02 0.16 -2.14 118.16 127.00 1a5u n LYS 4324Ca 0.13 0.28 -0.01 0.00 -2.02 0.00 0.00 58.31 56.70 1a5u n LYS 4324Cb 0.46 -4.91 -0.00 0.00 -0.02 0.00 0.00 35.03 30.55 1a5u n LYS 4324CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a5u n GLY 4325N -0.98 0.39 3.26 0.72 0.00 0.44 -4.95 105.19 104.07 1a5u n GLY 4325Ca 0.02 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 1a5u n GLY 4325CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a5u s SER 4326N -2.11 2.72 0.00 1.61 0.15 -0.91 -4.98 113.70 110.18 1a5u s SER 4326Ca 0.00 -0.42 0.06 0.00 0.70 0.00 0.00 55.95 56.29 1a5u s SER 4326Cb 0.00 -0.33 0.30 0.00 -1.71 0.00 0.00 66.02 64.28 1a5u s SER 4326CO 0.00 0.28 1.21 0.61 1.20 0.00 0.00 173.24 176.54 1a5u n GLY 4327N 2.54 -0.65 0.01 9.45 0.00 -1.26 -2.96 105.19 112.31 1a5u n GLY 4327Ca -0.16 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1a5u n GLY 4327CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a5u n THR 4328N -0.33 0.00 -2.05 2.61 -2.24 -1.26 -4.58 114.28 106.43 1a5u n THR 4328Ca 0.06 -0.49 -0.32 0.00 -2.27 0.00 0.00 64.05 61.03 1a5u n THR 4328Cb 0.08 1.00 -0.00 0.00 -2.10 0.00 0.00 70.33 69.31 1a5u n THR 4328CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a5u s ALA 4329N -0.79 2.96 0.04 6.98 0.00 -1.16 -4.95 121.76 124.85 1a5u s ALA 4329Ca 0.00 0.12 -0.12 0.00 0.00 0.00 0.00 51.96 51.96 1a5u s ALA 4329Cb 0.00 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 20.00 1a5u s ALA 4329CO 0.02 -0.62 0.27 -1.83 0.00 0.00 0.00 175.76 173.59 1a5u s GLU 4330N -4.56 0.76 -0.02 0.00 -1.05 -1.26 -3.19 118.70 109.39 1a5u s GLU 4330Ca 0.58 -0.53 -0.00 0.00 -0.15 0.00 0.00 54.97 54.87 1a5u s GLU 4330Cb -0.12 0.33 0.02 0.00 -0.44 0.00 0.00 34.13 33.92 1a5u s GLU 4330CO 0.43 -0.24 0.04 0.14 0.95 0.00 0.00 175.26 176.58 1a5u s VAL 4331N -2.48 -0.04 -0.29 1.83 -7.23 0.90 -4.93 120.40 108.16 1a5u s VAL 4331Ca -0.06 0.16 -0.26 0.00 -1.81 0.00 0.00 61.98 60.02 1a5u s VAL 4331Cb -0.01 -0.09 0.00 0.00 0.56 0.00 0.00 36.38 36.84 1a5u s VAL 4331CO -0.03 0.07 0.89 -0.70 -0.31 0.00 0.00 175.10 175.02 1a5u s GLU 4332N 0.83 4.06 0.74 4.82 2.12 -1.26 0.22 118.70 130.23 1a5u s GLU 4332Ca -0.07 0.86 -0.11 0.00 0.36 0.00 0.00 54.97 56.01 1a5u s GLU 4332Cb -0.10 -3.70 0.03 0.00 0.26 0.00 0.00 34.13 30.62 1a5u s GLU 4332CO -0.03 -0.70 1.08 -0.51 -0.54 0.00 0.00 175.26 174.56 1a5u s LEU 4333N 3.13 2.89 -0.03 2.70 1.43 0.23 -4.85 118.68 124.18 1a5u s LEU 4333Ca 0.37 1.45 0.01 0.00 -1.03 0.00 0.00 54.13 54.93 1a5u s LEU 4333Cb -0.14 -4.21 0.02 0.00 0.03 0.00 0.00 46.19 41.89 1a5u s LEU 4333CO 0.11 -1.65 -0.01 -0.54 0.23 0.00 0.00 176.35 174.49 1a5u s LYS 4334N -5.12 0.36 0.36 1.70 1.02 -1.26 -2.63 119.74 114.17 1a5u s LYS 4334Ca 0.59 0.01 -0.25 0.00 0.02 0.00 0.00 55.97 56.34 1a5u s LYS 4334Cb -0.14 -0.48 -0.13 0.00 -0.52 0.00 0.00 37.83 36.56 1a5u s LYS 4334CO 0.54 -0.08 0.88 1.17 -0.92 0.00 0.00 175.35 176.94 1a5u n LYS 4335N 3.89 1.09 0.00 1.68 4.81 -1.26 -1.56 118.16 126.82 1a5u n LYS 4335Ca -0.24 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1a5u n LYS 4335Cb 0.52 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 33.79 1a5u n LYS 4335CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1a5u n GLY 4336N 1.38 2.48 3.64 3.14 0.00 0.96 -4.95 105.19 111.84 1a5u n GLY 4336Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1a5u n GLY 4336CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5u s ALA 4337N -2.03 0.66 0.02 4.61 0.00 -0.60 -4.50 121.76 119.93 1a5u s ALA 4337Ca 0.00 -0.35 0.04 0.00 0.00 0.00 0.00 51.96 51.64 1a5u s ALA 4337Cb 0.00 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 1a5u s ALA 4337CO 0.00 -3.05 -0.05 -0.08 0.00 0.00 0.00 175.76 172.57 1a5u s THR 4338N -2.89 3.72 -0.01 0.00 -1.32 -1.26 0.36 115.64 114.24 1a5u s THR 4338Ca 0.66 -0.83 0.02 0.00 -1.21 0.00 0.00 61.69 60.33 1a5u s THR 4338Cb -0.20 -2.65 -0.00 0.00 -1.51 0.00 0.00 72.50 68.14 1a5u s THR 4338CO 0.59 0.33 -0.06 -0.22 -2.21 0.00 0.00 174.62 173.05 1a5u s LEU 4339N -1.61 1.99 -0.20 9.08 2.96 0.25 -4.74 118.68 126.40 1a5u s LEU 4339Ca 0.19 -0.12 -0.04 0.00 -0.22 0.00 0.00 54.13 53.93 1a5u s LEU 4339Cb -0.11 -0.34 -0.02 0.00 0.50 0.00 0.00 46.19 46.22 1a5u s LEU 4339CO 0.10 0.08 -0.02 -0.54 -1.32 0.00 0.00 176.35 174.65 1a5u s LYS 4340N -0.11 3.55 -0.41 1.98 1.02 -0.92 0.28 119.74 125.13 1a5u s LYS 4340Ca 0.02 -0.55 -0.21 0.00 0.02 0.00 0.00 55.97 55.24 1a5u s LYS 4340Cb -0.03 -3.04 0.02 0.00 -0.52 0.00 0.00 37.83 34.26 1a5u s LYS 4340CO -0.00 -0.03 0.68 0.42 -0.92 0.00 0.00 175.35 175.50 1a5u s ILE 4341N 1.08 4.80 -0.08 2.17 1.01 0.90 0.33 121.20 131.41 1a5u s ILE 4341Ca 0.02 0.40 0.02 0.00 0.00 0.00 0.00 60.65 61.09 1a5u s ILE 4341Cb -0.14 -4.19 -0.02 0.00 0.01 0.00 0.00 42.46 38.11 1a5u s ILE 4341CO 0.01 -0.51 -0.12 0.28 0.00 0.00 0.00 174.94 174.60 1a5u s THR 4342N 2.91 3.22 -2.49 2.92 -1.32 0.26 -0.27 115.64 120.88 1a5u s THR 4342Ca 0.25 -0.64 0.23 0.00 -1.21 0.00 0.00 61.69 60.32 1a5u s THR 4342Cb -0.14 -2.30 0.41 0.00 -1.51 0.00 0.00 72.50 68.96 1a5u s THR 4342CO 0.18 0.57 1.43 0.18 -2.21 0.00 0.00 174.62 174.77 1a5u n LEU 4343N 2.65 3.00 -4.59 9.08 4.32 -0.95 -3.02 117.00 127.50 1a5u n LEU 4343Ca -0.18 -1.26 -0.42 0.00 -0.02 0.00 0.00 56.01 54.13 1a5u n LEU 4343Cb 0.52 -0.19 -0.02 0.00 -1.62 0.00 0.00 43.42 42.11 1a5u n LEU 4343CO 0.27 0.63 1.12 -0.62 -1.22 0.00 0.00 177.39 177.58 1a5u s ASP 4344N -1.56 6.43 0.30 -1.43 -1.08 -1.26 -4.85 116.67 113.21 1a5u s ASP 4344Ca 0.36 0.37 0.04 0.00 -0.52 0.00 0.00 52.55 52.80 1a5u s ASP 4344Cb 0.21 -2.55 0.24 0.00 -1.46 0.00 0.00 42.92 39.36 1a5u s ASP 4344CO 0.30 -1.45 0.92 0.59 0.52 0.00 0.00 175.17 176.05 1a5u n ASN 4345N 8.54 0.11 0.15 -0.34 5.03 -1.26 0.12 115.26 127.61 1a5u n ASN 4345Ca 0.12 0.34 0.13 0.00 0.87 0.00 0.00 54.58 56.03 1a5u n ASN 4345Cb 0.49 -0.17 0.38 0.00 -1.02 0.00 0.00 39.78 39.45 1a5u n ASN 4345CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a5u h ALA 4346N 0.42 1.00 -0.07 5.41 0.00 -1.99 -3.13 119.26 120.90 1a5u h ALA 4346Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a5u h ALA 4346Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1a5u h ALA 4346CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 1a5u n TYR 4347N -2.55 0.07 -0.19 0.00 4.01 0.33 -4.61 117.16 114.22 1a5u n TYR 4347Ca 0.04 -0.04 -0.05 0.00 -0.16 0.00 0.00 57.90 57.70 1a5u n TYR 4347Cb 0.42 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.40 1a5u n TYR 4347CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 1a5u n MET 4348N 0.67 -0.20 -0.55 -0.72 2.81 -1.19 -2.26 117.12 115.68 1a5u n MET 4348Ca 0.17 1.20 0.08 0.00 -1.81 0.00 0.00 57.70 57.33 1a5u n MET 4348Cb 0.45 -1.78 0.30 0.00 -0.71 0.00 0.00 33.22 31.49 1a5u n MET 4348CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1a5u n GLU 4349N -4.04 3.41 -2.39 0.03 1.02 -1.26 -1.30 120.64 116.11 1a5u n GLU 4349Ca 0.01 -2.41 -0.25 0.00 -0.02 0.00 0.00 57.16 54.48 1a5u n GLU 4349Cb 0.12 -1.84 0.01 0.00 -0.02 0.00 0.00 31.44 29.71 1a5u n GLU 4349CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1a5u n LYS 4350N 0.85 3.37 -2.74 3.49 5.02 -0.96 0.17 118.16 127.36 1a5u n LYS 4350Ca 0.22 -4.38 -0.33 0.00 -2.02 0.00 0.00 58.31 51.79 1a5u n LYS 4350Cb 0.80 -2.21 -0.06 0.00 -0.02 0.00 0.00 35.03 33.54 1a5u n LYS 4350CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a5u n ASP 4352N -0.67 -1.44 0.09 0.00 5.68 0.18 -0.67 116.55 119.72 1a5u n ASP 4352Ca 0.07 -1.56 0.04 0.00 -0.50 0.00 0.00 54.79 52.85 1a5u n ASP 4352Cb 0.53 2.29 0.22 0.00 -1.14 0.00 0.00 41.12 43.03 1a5u n ASP 4352CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1a5u n GLU 4353N -0.82 0.05 -0.01 0.11 0.28 -1.26 -2.11 120.64 116.88 1a5u n GLU 4353Ca 0.01 0.47 -0.02 0.00 -0.16 0.00 0.00 57.16 57.46 1a5u n GLU 4353Cb 0.58 -1.90 -0.01 0.00 1.43 0.00 0.00 31.44 31.54 1a5u n GLU 4353CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1a5u n ASN 4354N -1.75 3.35 -4.30 -1.84 4.13 -1.26 -4.83 115.26 108.76 1a5u n ASN 4354Ca -0.01 -0.01 -0.33 0.00 1.68 0.00 0.00 54.58 55.92 1a5u n ASN 4354Cb 0.23 -0.04 -0.15 0.00 -1.54 0.00 0.00 39.78 38.27 1a5u n ASN 4354CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1a5u s ILE 4355N -2.05 2.65 -0.31 2.41 -1.09 -0.90 -2.16 121.20 119.75 1a5u s ILE 4355Ca -0.03 -0.80 0.03 0.00 -2.23 0.00 0.00 60.65 57.62 1a5u s ILE 4355Cb 0.01 -2.08 0.09 0.00 -1.58 0.00 0.00 42.46 38.89 1a5u s ILE 4355CO 0.06 0.54 -0.01 -0.22 -1.23 0.00 0.00 174.94 174.07 1a5u s LEU 4356N 0.42 4.19 -0.36 2.97 2.96 0.15 0.50 118.68 129.51 1a5u s LEU 4356Ca -0.13 -1.86 -0.24 0.00 -0.22 0.00 0.00 54.13 51.68 1a5u s LEU 4356Cb -0.17 -1.57 0.01 0.00 0.50 0.00 0.00 46.19 44.96 1a5u s LEU 4356CO 0.06 -0.31 0.85 0.86 -1.32 0.00 0.00 176.35 176.48 1a5u s TRP 4357N 1.00 3.11 0.21 5.38 -0.00 -1.26 -0.57 118.94 126.81 1a5u s TRP 4357Ca 0.04 0.68 -0.02 0.00 -0.00 0.00 0.00 56.10 56.79 1a5u s TRP 4357Cb -0.19 -3.49 0.05 0.00 -0.00 0.00 0.00 33.47 29.83 1a5u s TRP 4357CO -0.07 -0.76 0.29 -0.11 -0.00 0.00 0.00 176.95 176.30 1a5u n LEU 4358N 6.55 0.00 -0.03 5.86 7.94 -1.17 0.20 117.00 136.36 1a5u n LEU 4358Ca 0.05 -0.43 -0.04 0.00 -1.11 0.00 0.00 56.01 54.48 1a5u n LEU 4358Cb 0.48 -0.20 -0.03 0.00 0.53 0.00 0.00 43.42 44.20 1a5u n LEU 4358CO 0.55 -0.68 -0.68 -0.67 -1.11 0.00 0.00 177.39 174.81 1a5u n ASP 4359N -3.10 3.62 -4.53 1.96 2.03 0.18 -4.58 116.55 112.12 1a5u n ASP 4359Ca 0.04 -0.03 -0.43 0.00 0.52 0.00 0.00 54.79 54.90 1a5u n ASP 4359Cb 0.14 0.01 -0.04 0.00 -0.72 0.00 0.00 41.12 40.50 1a5u n ASP 4359CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1a5u s TYR 4360N -2.11 2.86 0.30 -0.67 5.04 -1.26 -4.93 117.35 116.58 1a5u s TYR 4360Ca -0.07 0.11 0.20 0.00 -2.44 0.00 0.00 57.07 54.87 1a5u s TYR 4360Cb 0.02 -3.99 0.94 0.00 0.35 0.00 0.00 41.96 39.28 1a5u s TYR 4360CO 0.14 -1.23 1.87 0.87 -1.34 0.00 0.00 175.55 175.85 1a5u h LYS 4361N 9.20 0.00 -0.57 4.97 6.56 -1.97 -3.18 116.57 131.59 1a5u h LYS 4361Ca -0.25 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.34 1a5u h LYS 4361Cb 1.08 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.74 1a5u h LYS 4361CO 1.05 0.29 0.00 0.09 -2.06 0.00 0.00 179.45 178.82 1a5u n ASN 4362N -3.73 5.10 -0.27 0.86 3.02 -1.26 -4.56 115.26 114.42 1a5u n ASN 4362Ca -0.01 -2.73 0.08 0.00 -0.03 0.00 0.00 54.58 51.89 1a5u n ASN 4362Cb 0.39 -0.62 0.22 0.00 -0.61 0.00 0.00 39.78 39.17 1a5u n ASN 4362CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1a5u h ILE 4363N 3.76 0.48 0.00 2.41 2.10 -1.98 -1.65 117.51 122.62 1a5u h ILE 4363Ca 0.00 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.84 1a5u h ILE 4363Cb 1.69 0.16 0.00 0.00 -1.09 0.00 0.00 36.82 37.58 1a5u h ILE 4363CO 0.35 0.05 0.55 0.00 -1.08 0.00 0.00 178.15 178.02 1a5u n LYS 4365N -2.58 0.78 0.09 0.00 4.81 -0.63 -4.35 118.16 116.27 1a5u n LYS 4365Ca -0.01 -0.11 -0.06 0.00 -0.87 0.00 0.00 58.31 57.26 1a5u n LYS 4365Cb 0.57 -1.34 0.10 0.00 0.02 0.00 0.00 35.03 34.38 1a5u n LYS 4365CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1a5u h VAL 4366N 0.00 1.41 -4.28 3.15 2.07 0.92 -3.45 116.25 116.07 1a5u h VAL 4366Ca 0.00 -2.10 -0.66 0.00 0.82 0.00 0.00 66.70 64.76 1a5u h VAL 4366Cb 0.64 2.09 -0.27 0.00 -1.52 0.00 0.00 31.29 32.23 1a5u h VAL 4366CO 0.00 0.62 -0.87 0.54 0.02 0.00 0.00 177.57 177.88 1a5u s VAL 4367N -3.66 2.00 0.52 2.57 0.11 -0.46 -4.49 120.40 116.99 1a5u s VAL 4367Ca -0.04 -1.32 0.08 0.00 -2.93 0.00 0.00 61.98 57.78 1a5u s VAL 4367Cb 0.12 -1.71 0.05 0.00 -1.53 0.00 0.00 36.38 33.31 1a5u s VAL 4367CO 0.80 0.34 0.64 -1.81 -3.33 0.00 0.00 175.10 171.74 1a5u s ASP 4368N -1.18 5.12 0.40 3.54 1.01 -1.26 -4.80 116.67 119.50 1a5u s ASP 4368Ca 0.10 -0.83 -0.26 0.00 0.71 0.00 0.00 52.55 52.28 1a5u s ASP 4368Cb -0.10 0.05 -0.09 0.00 1.01 0.00 0.00 42.92 43.80 1a5u s ASP 4368CO 0.02 -1.12 1.23 -0.69 0.21 0.00 0.00 175.17 174.82 1a5u s VAL 4369N -2.60 2.90 -1.30 -1.27 1.01 -1.26 -1.41 120.40 116.47 1a5u s VAL 4369Ca 0.54 0.79 -0.00 0.00 0.00 0.00 0.00 61.98 63.31 1a5u s VAL 4369Cb -0.06 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1a5u s VAL 4369CO 0.34 0.10 0.04 0.61 0.00 0.00 0.00 175.10 176.19 1a5u n GLY 4370N 0.68 -0.26 3.95 4.51 0.00 1.29 -4.91 105.19 110.45 1a5u n GLY 4370Ca 0.04 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 1a5u n GLY 4370CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a5u s SER 4371N -2.35 6.07 -0.16 1.61 0.15 -0.50 -4.66 113.70 113.86 1a5u s SER 4371Ca 0.02 0.39 -0.07 0.00 0.70 0.00 0.00 55.95 56.98 1a5u s SER 4371Cb -0.01 -1.79 -0.04 0.00 -1.71 0.00 0.00 66.02 62.47 1a5u s SER 4371CO 0.02 -0.50 0.09 -0.54 1.20 0.00 0.00 173.24 173.50 1a5u s LYS 4372N -4.45 3.81 -0.15 5.44 3.01 -1.26 0.58 119.74 126.72 1a5u s LYS 4372Ca 0.44 -0.28 -0.01 0.00 -1.01 0.00 0.00 55.97 55.11 1a5u s LYS 4372Cb -0.10 -3.21 0.04 0.00 -1.01 0.00 0.00 37.83 33.55 1a5u s LYS 4372CO 0.37 0.43 -0.04 0.08 0.51 0.00 0.00 175.35 176.71 1a5u s VAL 4373N -0.05 0.93 -0.10 3.17 1.01 -0.53 -4.70 120.40 120.12 1a5u s VAL 4373Ca 0.08 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 1a5u s VAL 4373Cb -0.12 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1a5u s VAL 4373CO 0.01 0.12 0.15 -0.31 0.00 0.00 0.00 175.10 175.07 1a5u s TYR 4374N 1.71 3.60 -0.19 5.22 2.02 -0.92 -0.72 117.35 128.07 1a5u s TYR 4374Ca 0.01 0.53 0.01 0.00 -0.37 0.00 0.00 57.07 57.26 1a5u s TYR 4374Cb -0.15 -1.94 0.03 0.00 -0.40 0.00 0.00 41.96 39.49 1a5u s TYR 4374CO -0.07 0.73 -0.18 0.08 -1.57 0.00 0.00 175.55 174.53 1a5u s VAL 4375N -1.06 1.99 -0.13 0.71 1.01 0.07 -2.90 120.40 120.09 1a5u s VAL 4375Ca 0.17 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 1a5u s VAL 4375Cb -0.12 -1.85 -0.00 0.00 0.00 0.00 0.00 36.38 34.41 1a5u s VAL 4375CO 0.06 0.45 0.12 -0.67 0.00 0.00 0.00 175.10 175.06 1a5u n ASP 4376N 4.62 -2.98 -2.54 3.32 -0.08 0.05 -1.63 116.55 117.31 1a5u n ASP 4376Ca -0.19 -0.02 -0.20 0.00 -1.51 0.00 0.00 54.79 52.86 1a5u n ASP 4376Cb 0.49 -1.71 -0.00 0.00 2.34 0.00 0.00 41.12 42.24 1a5u n ASP 4376CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1a5u n ASP 4377N -1.17 -5.73 0.00 1.67 8.00 -1.26 -1.75 116.55 116.30 1a5u n ASP 4377Ca -0.00 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1a5u n ASP 4377Cb 0.50 -4.75 0.00 0.00 -0.02 0.00 0.00 41.12 36.85 1a5u n ASP 4377CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a5u n GLY 4378N -1.09 0.78 0.28 0.44 0.00 -1.26 -4.71 105.19 99.62 1a5u n GLY 4378Ca -0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 1a5u n GLY 4378CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a5u h LEU 4379N 0.00 -0.75 -9.27 0.99 5.85 -1.27 -3.40 115.31 107.46 1a5u h LEU 4379Ca 0.00 0.12 -0.66 0.00 0.84 0.00 0.00 57.88 58.18 1a5u h LEU 4379Cb 0.00 0.33 -0.14 0.00 0.37 0.00 0.00 40.66 41.22 1a5u h LEU 4379CO 0.00 -0.30 -0.59 -0.63 -0.34 0.00 0.00 178.44 176.59 1a5u s ILE 4380N -6.07 4.59 -0.12 4.05 -1.09 -0.65 -4.89 121.20 117.02 1a5u s ILE 4380Ca -0.15 -0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.14 1a5u s ILE 4380Cb 0.10 -2.98 -0.02 0.00 -1.58 0.00 0.00 42.46 37.99 1a5u s ILE 4380CO 0.67 0.57 -0.12 -0.55 -1.23 0.00 0.00 174.94 174.28 1a5u s SER 4381N -0.52 4.14 0.02 3.58 0.15 -1.26 -0.75 113.70 119.05 1a5u s SER 4381Ca 0.10 -0.27 0.09 0.00 0.70 0.00 0.00 55.95 56.57 1a5u s SER 4381Cb -0.12 -1.49 -0.02 0.00 -1.71 0.00 0.00 66.02 62.68 1a5u s SER 4381CO 0.02 0.20 -0.26 -0.76 1.20 0.00 0.00 173.24 173.65 1a5u s LEU 4382N 0.12 2.11 -0.15 3.45 1.02 0.10 -2.86 118.68 122.47 1a5u s LEU 4382Ca -0.05 -0.53 0.01 0.00 0.02 0.00 0.00 54.13 53.58 1a5u s LEU 4382Cb -0.15 -1.29 0.00 0.00 0.02 0.00 0.00 46.19 44.78 1a5u s LEU 4382CO 0.04 0.28 -0.19 -1.58 0.02 0.00 0.00 176.35 174.93 1a5u s GLN 4383N -0.94 3.13 -0.58 1.70 2.00 -1.06 -1.45 119.66 122.46 1a5u s GLN 4383Ca 0.11 -0.80 -0.26 0.00 -2.00 0.00 0.00 55.36 52.41 1a5u s GLN 4383Cb -0.10 -2.53 -0.04 0.00 0.80 0.00 0.00 33.01 31.14 1a5u s GLN 4383CO 0.01 0.01 2.10 0.08 -0.50 0.00 0.00 175.29 176.99 1a5u s VAL 4384N 0.79 3.21 -0.15 1.34 1.01 0.20 -2.09 120.40 124.70 1a5u s VAL 4384Ca -0.07 0.10 -0.12 0.00 0.00 0.00 0.00 61.98 61.89 1a5u s VAL 4384Cb -0.16 -3.54 -0.08 0.00 0.00 0.00 0.00 36.38 32.60 1a5u s VAL 4384CO -0.00 -0.53 0.03 0.11 0.00 0.00 0.00 175.10 174.71 1a5u h LYS 4385N 16.72 0.00 -4.96 2.72 1.79 -1.00 3.91 116.57 135.75 1a5u h LYS 4385Ca -0.24 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.68 1a5u h LYS 4385Cb 1.20 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 31.52 1a5u h LYS 4385CO 1.19 0.34 -0.83 -0.65 -1.08 0.00 0.00 179.45 178.42 1a5u s GLN 4386N -2.15 1.88 -0.48 3.15 -0.21 0.22 -4.70 119.66 117.37 1a5u s GLN 4386Ca -0.16 -0.55 -0.11 0.00 0.02 0.00 0.00 55.36 54.56 1a5u s GLN 4386Cb 0.02 -1.56 0.12 0.00 1.00 0.00 0.00 33.01 32.59 1a5u s GLN 4386CO 0.31 0.14 0.38 0.21 -2.12 0.00 0.00 175.29 174.21 1a5u s LYS 4387N 0.34 2.66 0.00 2.91 2.20 -1.26 0.90 119.74 127.49 1a5u s LYS 4387Ca -0.10 -1.69 0.00 0.00 -0.36 0.00 0.00 55.97 53.81 1a5u s LYS 4387Cb -0.14 -4.02 0.00 0.00 -1.51 0.00 0.00 37.83 32.16 1a5u s LYS 4387CO 0.04 -1.20 0.00 0.41 -0.36 0.00 0.00 175.35 174.24 1a5u n GLY 4388N 5.02 0.97 0.45 5.54 0.00 0.87 -5.01 105.19 113.02 1a5u n GLY 4388Ca -0.10 -1.40 -0.16 0.00 0.00 0.00 0.00 46.02 44.36 1a5u n GLY 4388CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a5u n PRO 4389N 0.00 0.37 -0.74 1.61 -0.04 -1.26 -4.67 135.00 130.27 1a5u n PRO 4389Ca 0.00 0.16 -0.01 0.00 -0.04 0.00 0.00 63.50 63.61 1a5u n PRO 4389Cb 0.00 -1.13 0.20 0.00 -0.04 0.00 0.00 33.50 32.54 1a5u n PRO 4389CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1a5u n ASP 4390N -3.86 2.21 -3.62 3.54 5.68 -1.26 -4.98 116.55 114.25 1a5u n ASP 4390Ca -0.30 -3.82 -0.00 0.00 -0.50 0.00 0.00 54.79 50.17 1a5u n ASP 4390Cb 0.66 -0.60 0.01 0.00 -1.14 0.00 0.00 41.12 40.05 1a5u n ASP 4390CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 1a5u s PHE 4391N -3.25 -0.00 -0.05 2.11 -0.12 -1.26 -2.23 117.98 113.18 1a5u s PHE 4391Ca 0.42 -0.22 -0.01 0.00 -0.05 0.00 0.00 56.93 57.07 1a5u s PHE 4391Cb 0.39 0.61 0.03 0.00 -0.63 0.00 0.00 43.02 43.42 1a5u s PHE 4391CO -0.03 -0.54 0.01 -0.51 -0.05 0.00 0.00 175.22 174.10 1a5u s LEU 4392N -3.34 0.64 -0.33 -1.99 2.01 0.63 -0.09 118.68 116.22 1a5u s LEU 4392Ca 0.20 -0.04 -0.12 0.00 0.01 0.00 0.00 54.13 54.19 1a5u s LEU 4392Cb 0.00 -0.33 -0.02 0.00 0.01 0.00 0.00 46.19 45.86 1a5u s LEU 4392CO 0.01 -0.18 0.22 -0.69 1.01 0.00 0.00 176.35 176.72 1a5u s VAL 4393N 1.77 5.19 0.35 -1.59 1.01 0.26 0.31 120.40 127.69 1a5u s VAL 4393Ca 0.01 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 61.85 1a5u s VAL 4393Cb -0.13 -3.63 -0.07 0.00 0.00 0.00 0.00 36.38 32.56 1a5u s VAL 4393CO -0.04 0.04 0.05 0.42 0.00 0.00 0.00 175.10 175.57 1a5u s THR 4394N 1.71 1.40 -0.18 3.92 -4.23 0.80 0.72 115.64 119.79 1a5u s THR 4394Ca 0.06 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.53 1a5u s THR 4394Cb -0.17 -2.85 -0.03 0.00 1.34 0.00 0.00 72.50 70.80 1a5u s THR 4394CO 0.10 0.00 -0.02 -0.70 -0.54 0.00 0.00 174.62 173.46 1a5u s GLU 4395N -3.84 3.65 -0.77 3.99 -6.30 -0.89 0.88 118.70 115.41 1a5u s GLU 4395Ca 0.36 -0.52 -0.26 0.00 -2.50 0.00 0.00 54.97 52.06 1a5u s GLU 4395Cb 0.09 -2.99 -0.02 0.00 0.00 0.00 0.00 34.13 31.21 1a5u s GLU 4395CO 0.16 0.13 1.78 0.08 0.02 0.00 0.00 175.26 177.43 1a5u s VAL 4396N 0.66 3.49 0.20 3.70 1.01 1.11 -2.55 120.40 128.02 1a5u s VAL 4396Ca -0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 1a5u s VAL 4396Cb -0.14 -4.20 0.03 0.00 0.00 0.00 0.00 36.38 32.07 1a5u s VAL 4396CO 0.02 -1.15 1.61 -0.33 0.00 0.00 0.00 175.10 175.26 1a5u h GLU 4397N 12.58 0.80 -6.50 2.72 5.08 -1.80 2.86 114.58 130.32 1a5u h GLU 4397Ca -0.10 -0.33 -0.69 0.00 -1.00 0.00 0.00 59.36 57.24 1a5u h GLU 4397Cb 1.08 -0.03 -0.25 0.00 0.50 0.00 0.00 28.75 30.05 1a5u h GLU 4397CO 1.24 0.96 -0.82 -0.80 -1.00 0.00 0.00 179.01 178.59 1a5u s ASN 4398N -6.75 3.63 0.29 1.42 0.02 -1.23 -4.59 114.94 107.72 1a5u s ASN 4398Ca -0.10 -0.36 -0.17 0.00 -1.02 0.00 0.00 52.86 51.21 1a5u s ASN 4398Cb 0.13 -0.60 -0.09 0.00 0.02 0.00 0.00 41.25 40.71 1a5u s ASN 4398CO 0.84 0.31 0.74 -0.83 0.02 0.00 0.00 177.10 178.18 1a5u s GLY 4399N -0.92 2.44 0.00 0.66 0.00 -1.26 -4.27 107.32 103.96 1a5u s GLY 4399Ca 0.12 0.10 0.00 0.00 0.00 0.00 0.00 44.72 44.94 1a5u s GLY 4399CO 0.01 0.36 0.00 0.61 0.00 0.00 0.00 173.10 174.09 1a5u n GLY 4400N 0.03 3.79 3.77 0.20 0.00 -1.08 -4.94 105.19 106.96 1a5u n GLY 4400Ca 0.01 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.84 1a5u n GLY 4400CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a5u s PHE 4401N -2.00 3.19 -0.08 1.61 0.40 -1.26 0.76 117.98 120.59 1a5u s PHE 4401Ca 0.00 1.60 -0.03 0.00 -0.60 0.00 0.00 56.93 57.90 1a5u s PHE 4401Cb 0.00 -3.31 -0.03 0.00 0.51 0.00 0.00 43.02 40.18 1a5u s PHE 4401CO 0.00 -1.04 0.03 -0.51 0.70 0.00 0.00 175.22 174.41 1a5u s LEU 4402N -2.37 3.76 0.00 -0.37 2.01 0.60 -4.80 118.68 117.50 1a5u s LEU 4402Ca 0.55 0.20 0.01 0.00 0.01 0.00 0.00 54.13 54.91 1a5u s LEU 4402Cb -0.29 -1.90 -0.00 0.00 0.01 0.00 0.00 46.19 44.01 1a5u s LEU 4402CO 0.36 0.38 0.03 0.61 1.01 0.00 0.00 176.35 178.74 1a5u n GLY 4403N 2.03 3.51 3.82 -3.19 0.00 -1.26 -0.07 105.19 110.03 1a5u n GLY 4403Ca -0.18 -2.31 -0.37 0.00 0.00 0.00 0.00 46.02 43.15 1a5u n GLY 4403CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a5u s SER 4404N -3.67 6.98 -0.92 1.61 1.04 -1.19 -4.37 113.70 113.19 1a5u s SER 4404Ca 0.04 1.22 -0.05 0.00 0.48 0.00 0.00 55.95 57.65 1a5u s SER 4404Cb 0.00 -2.34 -0.03 0.00 0.10 0.00 0.00 66.02 63.75 1a5u s SER 4404CO 0.03 0.18 0.80 0.29 0.98 0.00 0.00 173.24 175.51 1a5u n LYS 4405N 1.23 -1.70 -4.00 4.02 4.76 -0.96 -4.97 118.16 116.54 1a5u n LYS 4405Ca -0.07 1.08 -0.36 0.00 -2.87 0.00 0.00 58.31 56.08 1a5u n LYS 4405Cb 0.51 -5.42 -0.07 0.00 -1.84 0.00 0.00 35.03 28.22 1a5u n LYS 4405CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1a5u s LYS 4406N -4.02 3.35 0.63 1.97 -0.14 -1.25 -4.68 119.74 115.59 1a5u s LYS 4406Ca 0.24 -0.21 -0.18 0.00 -1.36 0.00 0.00 55.97 54.47 1a5u s LYS 4406Cb -0.04 -3.09 -0.02 0.00 -1.68 0.00 0.00 37.83 32.99 1a5u s LYS 4406CO 0.77 0.74 1.25 0.20 -0.76 0.00 0.00 175.35 177.55 1a5u s GLY 4407N -0.94 2.79 -0.07 -3.33 0.00 -1.26 -0.56 107.32 103.95 1a5u s GLY 4407Ca 0.14 1.11 0.01 0.00 0.00 0.00 0.00 44.72 45.99 1a5u s GLY 4407CO 0.03 1.52 -0.09 0.14 0.00 0.00 0.00 173.10 174.70 1a5u s VAL 4408N -1.51 0.96 -0.11 1.40 1.01 0.09 -0.77 120.40 121.48 1a5u s VAL 4408Ca 0.80 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 62.42 1a5u s VAL 4408Cb -0.34 -0.92 0.03 0.00 0.00 0.00 0.00 36.38 35.15 1a5u s VAL 4408CO 0.37 0.32 -0.05 0.20 0.00 0.00 0.00 175.10 175.95 1a5u s ASN 4409N 0.93 2.06 -0.68 3.32 0.01 -1.14 -4.27 114.94 115.17 1a5u s ASN 4409Ca -0.10 -0.27 0.04 0.00 -0.71 0.00 0.00 52.86 51.82 1a5u s ASN 4409Cb -0.15 -0.71 0.30 0.00 0.41 0.00 0.00 41.25 41.10 1a5u s ASN 4409CO 0.01 -0.15 0.98 0.18 -1.51 0.00 0.00 177.10 176.60 1a5u n LEU 4410N 5.01 4.59 -4.61 0.60 4.32 -1.26 -2.17 117.00 123.47 1a5u n LEU 4410Ca -0.11 -5.53 -0.43 0.00 -0.02 0.00 0.00 56.01 49.93 1a5u n LEU 4410Cb 0.50 -0.71 -0.00 0.00 -1.62 0.00 0.00 43.42 41.58 1a5u n LEU 4410CO 0.14 2.16 0.61 -0.81 -1.22 0.00 0.00 177.39 178.27 1a5u n PRO 4411N 0.34 1.45 -2.99 3.23 -0.04 -1.26 -2.70 135.00 133.03 1a5u n PRO 4411Ca 0.31 0.51 -0.13 0.00 -0.04 0.00 0.00 63.50 64.16 1a5u n PRO 4411Cb 0.38 -1.98 0.06 0.00 -0.04 0.00 0.00 33.50 31.92 1a5u n PRO 4411CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a5u n GLY 4412N 1.15 -0.53 3.63 0.55 0.00 -1.26 -4.97 105.19 103.77 1a5u n GLY 4412Ca 0.09 0.24 -0.12 0.00 0.00 0.00 0.00 46.02 46.23 1a5u n GLY 4412CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5u s ALA 4413N -3.30 -1.86 -0.44 4.61 0.00 -1.10 -5.08 121.76 114.59 1a5u s ALA 4413Ca 0.22 2.01 -0.28 0.00 0.00 0.00 0.00 51.96 53.92 1a5u s ALA 4413Cb -0.03 -1.29 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 1a5u s ALA 4413CO 0.59 -0.31 1.84 0.00 0.00 0.00 0.00 175.76 177.87 1a5u s ALA 4414N 0.44 2.56 -0.39 0.00 0.00 -1.26 -4.99 121.76 118.13 1a5u s ALA 4414Ca 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 51.96 51.90 1a5u s ALA 4414Cb -0.05 -4.13 0.11 0.00 0.00 0.00 0.00 23.12 19.05 1a5u s ALA 4414CO -0.03 -3.17 0.11 0.08 0.00 0.00 0.00 175.76 172.76 1a5u s VAL 4415N 7.88 2.26 -1.03 0.00 1.01 -1.26 -4.81 120.40 124.45 1a5u s VAL 4415Ca 0.75 -2.56 -0.23 0.00 0.00 0.00 0.00 61.98 59.94 1a5u s VAL 4415Cb -0.18 -2.64 0.05 0.00 0.00 0.00 0.00 36.38 33.61 1a5u s VAL 4415CO 0.29 -0.67 1.45 -0.62 0.00 0.00 0.00 175.10 175.55 1a5u s ASP 4416N 0.61 6.51 -0.02 3.32 2.15 -1.26 -4.93 116.67 123.06 1a5u s ASP 4416Ca 0.13 -1.49 0.05 0.00 0.43 0.00 0.00 52.55 51.66 1a5u s ASP 4416Cb -0.21 -2.57 -0.01 0.00 -0.30 0.00 0.00 42.92 39.83 1a5u s ASP 4416CO -0.07 -1.49 -0.15 -0.76 -0.17 0.00 0.00 175.17 172.53 1a5u s LEU 4417N 4.90 2.00 0.44 -1.34 1.02 -1.26 -5.12 118.68 119.32 1a5u s LEU 4417Ca 0.46 -0.28 -0.22 0.00 0.02 0.00 0.00 54.13 54.11 1a5u s LEU 4417Cb -0.00 -0.80 -0.09 0.00 0.02 0.00 0.00 46.19 45.33 1a5u s LEU 4417CO -0.09 0.18 1.06 -2.16 0.02 0.00 0.00 176.35 175.35 1a5u s PRO 4418N -0.29 3.97 0.25 1.29 0.04 -1.26 -4.94 135.00 134.06 1a5u s PRO 4418Ca 0.04 1.49 -0.03 0.00 0.04 0.00 0.00 61.00 62.54 1a5u s PRO 4418Cb -0.07 -2.35 0.41 0.00 0.04 0.00 0.00 34.50 32.54 1a5u s PRO 4418CO -0.00 -0.31 1.83 0.00 0.04 0.00 0.00 177.00 178.56 1a5u h ALA 4419N 2.07 1.27 -3.34 8.56 0.00 -1.98 -3.37 119.26 122.47 1a5u h ALA 4419Ca -0.49 0.01 -0.51 0.00 0.00 0.00 0.00 54.91 53.92 1a5u h ALA 4419Cb 1.22 -0.19 -0.35 0.00 0.00 0.00 0.00 17.79 18.47 1a5u h ALA 4419CO 0.61 0.21 -0.81 0.08 0.00 0.00 0.00 179.25 179.34 1a5u s VAL 4420N -6.02 1.06 0.56 0.00 1.01 -1.26 -4.33 120.40 111.42 1a5u s VAL 4420Ca -0.12 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.53 1a5u s VAL 4420Cb 0.20 -1.01 0.06 0.00 0.00 0.00 0.00 36.38 35.63 1a5u s VAL 4420CO 0.79 0.35 0.55 -0.94 0.00 0.00 0.00 175.10 175.85 1a5u s SER 4421N 1.01 4.77 0.10 3.32 1.04 -1.26 -4.98 113.70 117.70 1a5u s SER 4421Ca -0.08 -1.14 -0.20 0.00 0.48 0.00 0.00 55.95 55.01 1a5u s SER 4421Cb -0.15 0.44 -0.08 0.00 0.10 0.00 0.00 66.02 66.33 1a5u s SER 4421CO -0.00 -1.22 1.66 -0.33 0.98 0.00 0.00 173.24 174.32 1a5u h GLU 4422N 0.53 0.29 -0.57 4.02 5.08 -1.99 -0.98 114.58 120.95 1a5u h GLU 4422Ca -0.34 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1a5u h GLU 4422Cb 1.30 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 1a5u h GLU 4422CO 0.51 0.33 0.35 0.87 -1.00 0.00 0.00 179.01 180.07 1a5u h LYS 4423N 0.18 0.77 0.13 2.33 1.57 -1.98 0.11 116.57 119.68 1a5u h LYS 4423Ca 0.07 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1a5u h LYS 4423Cb 0.14 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.24 1a5u h LYS 4423CO -0.01 0.55 -0.46 -0.44 -0.57 0.00 0.00 179.45 178.52 1a5u h ASP 4424N 0.77 -1.38 -0.78 0.86 3.32 -1.87 0.50 116.42 117.84 1a5u h ASP 4424Ca 0.21 0.14 0.18 0.00 0.02 0.00 0.00 57.03 57.58 1a5u h ASP 4424Cb -0.03 0.51 -0.12 0.00 0.22 0.00 0.00 39.33 39.91 1a5u h ASP 4424CO -0.04 -0.49 0.16 0.40 -1.72 0.00 0.00 179.24 177.55 1a5u h ILE 4425N -0.67 0.43 -0.69 0.35 2.04 -0.95 1.34 117.51 119.36 1a5u h ILE 4425Ca -0.01 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.81 1a5u h ILE 4425Cb 0.67 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 1a5u h ILE 4425CO -0.24 0.04 0.43 1.56 0.00 0.00 0.00 178.15 179.94 1a5u h GLN 4426N 0.23 0.80 -0.08 2.37 4.20 0.69 -0.65 115.11 122.67 1a5u h GLN 4426Ca 0.45 -0.05 -0.22 0.00 0.06 0.00 0.00 58.65 58.90 1a5u h GLN 4426Cb 0.81 -0.18 0.01 0.00 0.30 0.00 0.00 27.48 28.43 1a5u h GLN 4426CO -0.58 0.53 -0.79 -0.44 -0.67 0.00 0.00 178.83 176.88 1a5u h ASP 4427N 0.82 0.83 0.24 1.46 3.32 0.57 -1.87 116.42 121.79 1a5u h ASP 4427Ca 0.28 -0.68 0.01 0.00 0.02 0.00 0.00 57.03 56.66 1a5u h ASP 4427Cb 0.05 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 1a5u h ASP 4427CO -0.12 1.39 -0.43 -0.07 -1.72 0.00 0.00 179.24 178.29 1a5u h LEU 4428N 0.34 -1.24 -1.12 1.55 3.38 0.15 0.90 115.31 119.27 1a5u h LEU 4428Ca -0.08 0.12 0.16 0.00 0.09 0.00 0.00 57.88 58.18 1a5u h LEU 4428Cb 1.44 0.45 -0.09 0.00 0.09 0.00 0.00 40.66 42.55 1a5u h LEU 4428CO 0.16 -0.53 0.61 0.11 0.09 0.00 0.00 178.44 178.88 1a5u h LYS 4429N -0.74 0.76 -0.51 1.13 1.79 -1.17 0.23 116.57 118.05 1a5u h LYS 4429Ca -0.00 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 1a5u h LYS 4429Cb 0.72 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 31.18 1a5u h LYS 4429CO -0.18 0.50 0.21 0.35 -1.08 0.00 0.00 179.45 179.26 1a5u h PHE 4430N 0.78 0.73 -0.30 -1.35 3.57 -0.38 -2.11 116.94 117.88 1a5u h PHE 4430Ca 0.52 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.97 1a5u h PHE 4430Cb 0.77 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1a5u h PHE 4430CO -0.00 0.56 0.12 0.78 -2.23 0.00 0.00 178.31 177.54 1a5u h GLY 4431N 0.86 0.49 0.38 2.40 0.00 0.18 0.42 103.07 107.80 1a5u h GLY 4431Ca 0.18 -0.27 0.10 0.00 0.00 0.00 0.00 47.33 47.34 1a5u h GLY 4431CO -0.02 0.25 0.28 -2.08 0.00 0.00 0.00 176.54 174.97 1a5u h VAL 4432N 0.34 0.78 -0.34 4.60 2.07 -0.81 0.36 116.25 123.24 1a5u h VAL 4432Ca 0.10 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 67.36 1a5u h VAL 4432Cb 0.19 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1a5u h VAL 4432CO -0.01 0.09 -0.19 -0.33 0.02 0.00 0.00 177.57 177.15 1a5u h GLU 4433N 0.47 0.63 -0.05 1.57 5.08 -0.98 -0.63 114.58 120.68 1a5u h GLU 4433Ca 0.33 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1a5u h GLU 4433Cb 0.41 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1a5u h GLU 4433CO -0.31 0.79 0.00 1.04 -1.00 0.00 0.00 179.01 179.53 1a5u n GLN 4434N -4.14 1.26 -3.70 2.33 1.13 0.14 -4.91 117.38 109.49 1a5u n GLN 4434Ca 0.00 -0.39 -0.26 0.00 -1.94 0.00 0.00 57.00 54.42 1a5u n GLN 4434Cb 0.39 -1.37 0.03 0.00 0.11 0.00 0.00 30.24 29.40 1a5u n GLN 4434CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1a5u n ASP 4435N -0.43 -3.10 -4.83 1.08 2.03 0.11 -4.94 116.55 106.47 1a5u n ASP 4435Ca 0.17 -0.93 -0.31 0.00 0.52 0.00 0.00 54.79 54.24 1a5u n ASP 4435Cb 0.17 -3.69 0.03 0.00 -0.72 0.00 0.00 41.12 36.92 1a5u n ASP 4435CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1a5u s VAL 4436N -3.62 4.20 0.07 5.18 -7.23 -0.62 -4.95 120.40 113.42 1a5u s VAL 4436Ca 0.23 0.76 0.09 0.00 -1.81 0.00 0.00 61.98 61.24 1a5u s VAL 4436Cb -0.07 -3.53 -0.18 0.00 0.56 0.00 0.00 36.38 33.16 1a5u s VAL 4436CO 0.84 -0.89 1.23 0.44 -0.31 0.00 0.00 175.10 176.41 1a5u h ASP 4437N -0.44 0.00 -5.27 4.85 3.32 -1.40 -3.46 116.42 114.03 1a5u h ASP 4437Ca -0.44 0.00 0.16 0.00 0.02 0.00 0.00 57.03 56.77 1a5u h ASP 4437Cb 1.20 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.68 1a5u h ASP 4437CO 0.58 0.93 0.45 0.00 -1.72 0.00 0.00 179.24 179.48 1a5u s MET 4438N -2.73 1.27 -0.08 3.56 0.23 -1.13 -2.64 119.30 117.78 1a5u s MET 4438Ca 0.01 -0.70 0.02 0.00 -1.03 0.00 0.00 55.69 53.99 1a5u s MET 4438Cb 0.09 0.44 0.01 0.00 -1.53 0.00 0.00 34.83 33.85 1a5u s MET 4438CO 0.81 -0.58 -0.13 0.08 -2.03 0.00 0.00 175.02 173.17 1a5u s VAL 4439N -3.37 1.22 -0.52 5.16 1.01 0.42 -2.19 120.40 122.12 1a5u s VAL 4439Ca 0.12 -0.50 -0.19 0.00 0.00 0.00 0.00 61.98 61.40 1a5u s VAL 4439Cb -0.02 -1.12 0.06 0.00 0.00 0.00 0.00 36.38 35.30 1a5u s VAL 4439CO 0.03 0.38 0.66 -0.36 0.00 0.00 0.00 175.10 175.81 1a5u s PHE 4440N 0.83 3.02 -0.41 5.22 0.08 0.17 0.26 117.98 127.14 1a5u s PHE 4440Ca -0.11 -0.56 -0.22 0.00 0.12 0.00 0.00 56.93 56.15 1a5u s PHE 4440Cb -0.15 -3.65 0.02 0.00 -0.57 0.00 0.00 43.02 38.67 1a5u s PHE 4440CO 0.02 -1.10 0.75 0.00 -0.10 0.00 0.00 175.22 174.79 1a5u s ALA 4441N 2.74 3.35 0.45 5.36 0.00 -0.03 -1.41 121.76 132.22 1a5u s ALA 4441Ca 0.16 -0.92 -0.23 0.00 0.00 0.00 0.00 51.96 50.97 1a5u s ALA 4441Cb -0.19 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.46 1a5u s ALA 4441CO 0.12 -1.72 1.13 -1.12 0.00 0.00 0.00 175.76 174.16 1a5u s SER 4442N 2.00 6.31 -1.31 0.00 0.01 -1.26 -1.01 113.70 118.44 1a5u s SER 4442Ca 0.29 2.21 -0.05 0.00 1.31 0.00 0.00 55.95 59.71 1a5u s SER 4442Cb -0.13 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.54 1a5u s SER 4442CO 0.20 -0.81 0.35 0.49 0.41 0.00 0.00 173.24 173.88 1a5u n PHE 4443N -0.44 -1.69 -1.71 2.43 3.01 -1.25 -4.57 117.46 113.25 1a5u n PHE 4443Ca 0.07 0.33 -0.42 0.00 1.01 0.00 0.00 57.45 58.43 1a5u n PHE 4443Cb 0.49 -3.33 -0.03 0.00 -0.01 0.00 0.00 39.48 36.59 1a5u n PHE 4443CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1a5u n ILE 4444N -3.93 0.15 0.13 4.37 2.08 -1.14 -4.83 119.36 116.18 1a5u n ILE 4444Ca -0.09 -0.03 0.02 0.00 0.56 0.00 0.00 62.75 63.22 1a5u n ILE 4444Cb 0.59 -2.03 -0.03 0.00 -0.75 0.00 0.00 39.64 37.42 1a5u n ILE 4444CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1a5u n ARG 4445N 4.65 3.06 -3.69 0.38 1.74 -1.26 -4.01 116.66 117.53 1a5u n ARG 4445Ca 0.17 -0.02 -0.08 0.00 -0.77 0.00 0.00 57.85 57.15 1a5u n ARG 4445Cb 0.36 -0.90 -0.02 0.00 -1.02 0.00 0.00 32.46 30.87 1a5u n ARG 4445CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1a5u s LYS 4446N -1.85 1.41 0.23 5.56 -2.85 -1.26 -4.24 119.74 116.74 1a5u s LYS 4446Ca 0.00 -0.71 -0.07 0.00 -1.00 0.00 0.00 55.97 54.20 1a5u s LYS 4446Cb 0.03 0.53 0.39 0.00 -2.06 0.00 0.00 37.83 36.73 1a5u s LYS 4446CO 0.20 -0.64 1.69 0.00 0.10 0.00 0.00 175.35 176.71 1a5u h ALA 4447N 2.00 0.85 -0.63 0.59 0.00 -1.87 -1.52 119.26 118.68 1a5u h ALA 4447Ca -0.24 0.15 0.13 0.00 0.00 0.00 0.00 54.91 54.95 1a5u h ALA 4447Cb 1.26 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 19.16 1a5u h ALA 4447CO 0.28 -0.32 0.06 0.00 0.00 0.00 0.00 179.25 179.27 1a5u h ALA 4448N 1.56 0.68 -0.74 0.00 0.00 -1.96 -0.57 119.26 118.24 1a5u h ALA 4448Ca 0.37 0.17 0.13 0.00 0.00 0.00 0.00 54.91 55.59 1a5u h ALA 4448Cb 0.61 0.28 -0.09 0.00 0.00 0.00 0.00 17.79 18.59 1a5u h ALA 4448CO -0.47 -0.37 0.31 -0.44 0.00 0.00 0.00 179.25 178.28 1a5u h ASP 4449N 0.17 0.32 -0.51 0.00 3.32 -1.68 0.15 116.42 118.19 1a5u h ASP 4449Ca 0.33 0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.49 1a5u h ASP 4449Cb 0.54 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 1a5u h ASP 4449CO -0.50 0.14 0.33 0.58 -1.72 0.00 0.00 179.24 178.08 1a5u h VAL 4450N 0.48 1.12 -0.13 -1.35 2.07 -1.10 -1.67 116.25 115.66 1a5u h VAL 4450Ca 0.40 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.70 1a5u h VAL 4450Cb 0.56 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1a5u h VAL 4450CO -0.37 0.12 0.02 0.45 0.02 0.00 0.00 177.57 177.82 1a5u h HIS 4451N 0.68 0.04 -0.78 1.57 3.86 -0.27 0.12 115.15 120.37 1a5u h HIS 4451Ca 0.19 0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.47 1a5u h HIS 4451Cb -0.07 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.36 1a5u h HIS 4451CO -0.04 0.01 0.51 0.93 0.86 0.00 0.00 177.93 180.20 1a5u h GLU 4452N 0.07 0.80 0.00 2.45 5.08 -0.32 0.23 114.58 122.89 1a5u h GLU 4452Ca 0.06 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 1a5u h GLU 4452Cb 0.05 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1a5u h GLU 4452CO -0.08 0.53 -0.61 0.28 -1.00 0.00 0.00 179.01 178.12 1a5u h VAL 4453N 0.82 1.27 -0.23 3.13 2.07 -0.74 -2.04 116.25 120.53 1a5u h VAL 4453Ca 0.34 -2.24 -0.03 0.00 0.82 0.00 0.00 66.70 65.59 1a5u h VAL 4453Cb 0.26 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 1a5u h VAL 4453CO -0.12 0.60 0.01 -0.09 0.02 0.00 0.00 177.57 177.99 1a5u h ARG 4454N 0.00 0.40 0.00 1.57 9.65 0.20 -2.73 114.38 123.46 1a5u h ARG 4454Ca -0.01 -0.12 0.01 0.00 -1.10 0.00 0.00 59.98 58.77 1a5u h ARG 4454Cb 1.22 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.72 1a5u h ARG 4454CO 0.08 0.57 -0.38 0.87 2.80 0.00 0.00 179.97 183.90 1a5u h LYS 4455N 0.18 -0.47 -0.71 0.20 1.79 -0.53 -1.30 116.57 115.72 1a5u h LYS 4455Ca 0.07 0.03 0.14 0.00 -2.18 0.00 0.00 60.65 58.71 1a5u h LYS 4455Cb 0.38 0.11 -0.10 0.00 -1.58 0.00 0.00 32.23 31.04 1a5u h LYS 4455CO 0.01 -0.31 0.21 0.82 -1.08 0.00 0.00 179.45 179.10 1a5u h ILE 4456N -0.48 0.59 -0.03 1.86 1.08 -1.40 0.30 117.51 119.43 1a5u h ILE 4456Ca 0.01 -0.11 -0.06 0.00 -0.39 0.00 0.00 64.86 64.30 1a5u h ILE 4456Cb 0.52 0.24 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 1a5u h ILE 4456CO -0.26 0.06 -0.29 -0.07 -0.69 0.00 0.00 178.15 176.91 1a5u h LEU 4457N 0.33 0.04 0.00 1.44 3.38 -1.30 -3.45 115.31 115.75 1a5u h LEU 4457Ca 0.39 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1a5u h LEU 4457Cb 0.63 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1a5u h LEU 4457CO -0.45 0.33 0.00 0.61 0.09 0.00 0.00 178.44 179.02 1a5u n GLY 4458N -0.67 0.29 0.36 0.83 0.00 0.10 -1.13 105.19 104.97 1a5u n GLY 4458Ca -0.02 -0.61 0.16 0.00 0.00 0.00 0.00 46.02 45.56 1a5u n GLY 4458CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1a5u h GLU 4459N 0.00 0.61 -0.09 1.61 4.57 -1.88 0.79 114.58 120.20 1a5u h GLU 4459Ca 0.00 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.06 1a5u h GLU 4459Cb 0.00 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 1a5u h GLU 4459CO 0.00 0.41 -0.31 -0.22 -1.18 0.00 0.00 179.01 177.70 1a5u h LYS 4460N 0.63 0.16 -0.94 1.92 3.64 -1.95 -3.14 116.57 116.89 1a5u h LYS 4460Ca 0.60 -0.06 -0.57 0.00 -1.27 0.00 0.00 60.65 59.35 1a5u h LYS 4460Cb 1.11 -0.01 -0.41 0.00 -0.41 0.00 0.00 32.23 32.51 1a5u h LYS 4460CO -0.39 0.46 -0.62 0.41 -2.27 0.00 0.00 179.45 177.05 1a5u n GLY 4461N -0.48 6.27 0.22 5.01 0.00 0.20 -4.73 105.19 111.69 1a5u n GLY 4461Ca -0.01 -2.65 0.09 0.00 0.00 0.00 0.00 46.02 43.44 1a5u n GLY 4461CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1a5u h LYS 4462N 2.26 0.00 -0.10 1.61 2.10 -1.32 -2.91 116.57 118.21 1a5u h LYS 4462Ca 0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.03 1a5u h LYS 4462Cb 1.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 1a5u h LYS 4462CO 0.86 0.25 0.00 0.09 -2.00 0.00 0.00 179.45 178.65 1a5u n ASN 4463N -3.51 1.68 -4.73 7.07 5.03 -1.26 -4.86 115.26 114.68 1a5u n ASN 4463Ca -0.00 -1.62 -0.39 0.00 0.87 0.00 0.00 54.58 53.43 1a5u n ASN 4463Cb 0.41 -0.06 -0.05 0.00 -1.02 0.00 0.00 39.78 39.06 1a5u n ASN 4463CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1a5u s ILE 4464N -1.89 5.03 0.24 2.41 1.01 -1.10 -4.94 121.20 121.95 1a5u s ILE 4464Ca 0.35 1.29 -0.30 0.00 0.00 0.00 0.00 60.65 62.00 1a5u s ILE 4464Cb 0.19 -3.97 -0.09 0.00 0.01 0.00 0.00 42.46 38.61 1a5u s ILE 4464CO 0.30 0.32 1.17 -0.54 0.00 0.00 0.00 174.94 176.19 1a5u s LYS 4465N 0.45 4.54 -0.45 2.79 -0.14 -1.08 -4.84 119.74 121.00 1a5u s LYS 4465Ca 0.33 1.89 -0.09 0.00 -1.36 0.00 0.00 55.97 56.74 1a5u s LYS 4465Cb -0.17 -3.20 0.11 0.00 -1.68 0.00 0.00 37.83 32.88 1a5u s LYS 4465CO 0.16 0.02 0.31 0.42 -0.76 0.00 0.00 175.35 175.51 1a5u s ILE 4466N -0.63 4.14 -0.44 2.17 1.01 -1.26 0.16 121.20 126.34 1a5u s ILE 4466Ca 0.49 -1.70 -0.18 0.00 0.00 0.00 0.00 60.65 59.26 1a5u s ILE 4466Cb -0.33 -3.68 0.03 0.00 0.01 0.00 0.00 42.46 38.49 1a5u s ILE 4466CO 0.40 -0.69 0.52 -0.63 0.00 0.00 0.00 174.94 174.54 1a5u s ILE 4467N 1.36 5.00 0.12 2.92 -1.09 0.14 -1.99 121.20 127.66 1a5u s ILE 4467Ca 0.05 -0.29 -0.30 0.00 -2.23 0.00 0.00 60.65 57.87 1a5u s ILE 4467Cb -0.25 -4.13 -0.06 0.00 -1.58 0.00 0.00 42.46 36.44 1a5u s ILE 4467CO -0.00 -0.54 1.12 -0.44 -1.23 0.00 0.00 174.94 173.85 1a5u s SER 4468N 2.03 7.21 -0.30 3.58 0.01 0.13 -0.85 113.70 125.51 1a5u s SER 4468Ca 0.15 2.01 -0.16 0.00 1.31 0.00 0.00 55.95 59.27 1a5u s SER 4468Cb -0.17 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.44 1a5u s SER 4468CO 0.14 -0.32 0.40 -0.54 0.41 0.00 0.00 173.24 173.34 1a5u s LYS 4469N 0.31 3.85 -0.45 12.44 1.02 -0.18 -0.82 119.74 135.91 1a5u s LYS 4469Ca 0.53 -0.09 -0.19 0.00 0.02 0.00 0.00 55.97 56.24 1a5u s LYS 4469Cb -0.28 -3.72 0.03 0.00 -0.52 0.00 0.00 37.83 33.34 1a5u s LYS 4469CO 0.32 -0.40 0.58 0.42 -0.92 0.00 0.00 175.35 175.35 1a5u s ILE 4470N 2.12 4.91 -0.05 2.17 -1.09 -0.57 -2.89 121.20 125.80 1a5u s ILE 4470Ca 0.15 -0.13 0.15 0.00 -2.23 0.00 0.00 60.65 58.59 1a5u s ILE 4470Cb -0.16 -4.18 0.29 0.00 -1.58 0.00 0.00 42.46 36.83 1a5u s ILE 4470CO 0.11 -0.59 1.13 -1.84 -1.23 0.00 0.00 174.94 172.52 1a5u n GLU 4471N 6.06 0.38 -3.70 2.79 0.28 -1.26 -1.68 120.64 123.52 1a5u n GLU 4471Ca -0.04 -1.97 -0.03 0.00 -0.16 0.00 0.00 57.16 54.96 1a5u n GLU 4471Cb 0.47 -0.56 -0.01 0.00 1.43 0.00 0.00 31.44 32.77 1a5u n GLU 4471CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1a5u s ASN 4472N -1.99 -0.17 0.19 -1.84 4.22 -1.26 -3.67 114.94 110.42 1a5u s ASN 4472Ca 0.24 -0.30 -0.18 0.00 -2.14 0.00 0.00 52.86 50.48 1a5u s ASN 4472Cb 0.26 0.40 0.14 0.00 1.28 0.00 0.00 41.25 43.33 1a5u s ASN 4472CO -0.08 -0.73 1.61 0.45 -2.04 0.00 0.00 177.10 176.31 1a5u h HIS 4473N 2.00 -0.62 -0.51 1.54 3.86 -1.94 -1.80 115.15 117.68 1a5u h HIS 4473Ca -0.25 0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.01 1a5u h HIS 4473Cb 1.22 0.35 -0.02 0.00 1.06 0.00 0.00 27.41 30.02 1a5u h HIS 4473CO 0.35 -0.32 0.29 1.49 0.86 0.00 0.00 177.93 180.60 1a5u h GLU 4474N -0.12 0.72 -0.99 2.45 4.81 -1.93 0.59 114.58 120.10 1a5u h GLU 4474Ca 0.24 -0.08 0.08 0.00 -0.13 0.00 0.00 59.36 59.47 1a5u h GLU 4474Cb 0.49 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 29.66 1a5u h GLU 4474CO -0.59 0.55 0.63 0.78 -0.73 0.00 0.00 179.01 179.65 1a5u h GLY 4475N 0.69 1.54 0.44 1.92 0.00 -1.54 0.15 103.07 106.27 1a5u h GLY 4475Ca 0.18 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1a5u h GLY 4475CO -0.03 0.27 -0.01 -2.08 0.00 0.00 0.00 176.54 174.69 1a5u h VAL 4476N 1.09 1.46 -1.02 4.60 2.07 -0.51 -2.57 116.25 121.36 1a5u h VAL 4476Ca 0.45 -1.36 0.25 0.00 0.82 0.00 0.00 66.70 66.86 1a5u h VAL 4476Cb 0.28 2.37 -0.10 0.00 -1.52 0.00 0.00 31.29 32.31 1a5u h VAL 4476CO -0.21 0.36 0.64 -0.09 0.02 0.00 0.00 177.57 178.29 1a5u h ARG 4477N -0.55 0.46 -0.27 1.57 2.43 0.96 -1.47 114.38 117.51 1a5u h ARG 4477Ca 0.00 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 1a5u h ARG 4477Cb 0.59 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.96 1a5u h ARG 4477CO 0.00 0.31 -0.12 0.54 -1.51 0.00 0.00 179.97 179.19 1a5u n ARG 4478N -4.71 1.91 -0.16 0.20 1.74 0.47 -4.82 116.66 111.28 1a5u n ARG 4478Ca 0.25 -3.12 -0.03 0.00 -0.77 0.00 0.00 57.85 54.18 1a5u n ARG 4478Cb 0.81 -1.78 0.04 0.00 -1.02 0.00 0.00 32.46 30.51 1a5u n ARG 4478CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1a5u h PHE 4479N 1.04 -0.32 -0.17 -1.55 3.57 -0.84 -2.39 116.94 116.28 1a5u h PHE 4479Ca 0.15 0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.75 1a5u h PHE 4479Cb 1.50 0.22 -0.07 0.00 2.79 0.00 0.00 35.95 40.40 1a5u h PHE 4479CO 0.87 -0.24 -0.38 -0.44 -2.23 0.00 0.00 178.31 175.89 1a5u h ASP 4480N -0.02 -1.19 0.05 0.41 3.32 -1.88 1.06 116.42 118.16 1a5u h ASP 4480Ca 0.24 0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.44 1a5u h ASP 4480Cb 0.39 0.50 -0.00 0.00 0.22 0.00 0.00 39.33 40.44 1a5u h ASP 4480CO -0.53 -0.39 -0.07 1.05 -1.72 0.00 0.00 179.24 177.58 1a5u h GLU 4481N -0.43 0.06 -0.15 3.56 4.11 -1.94 0.26 114.58 120.06 1a5u h GLU 4481Ca 0.10 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.49 1a5u h GLU 4481Cb 0.59 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1a5u h GLU 4481CO -0.41 0.13 -0.02 0.82 0.07 0.00 0.00 179.01 179.61 1a5u h ILE 4482N 0.06 1.27 -0.73 -1.06 2.04 -0.29 -1.47 117.51 117.33 1a5u h ILE 4482Ca 0.01 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 64.97 1a5u h ILE 4482Cb 0.16 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 1a5u h ILE 4482CO 0.01 0.27 0.47 0.25 0.00 0.00 0.00 178.15 179.15 1a5u h LEU 4483N -0.01 0.80 -0.63 1.44 5.85 0.26 -0.14 115.31 122.88 1a5u h LEU 4483Ca 0.04 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1a5u h LEU 4483Cb 0.42 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1a5u h LEU 4483CO 0.01 0.57 0.29 -0.08 -0.34 0.00 0.00 178.44 178.89 1a5u h GLU 4484N 0.95 0.92 0.00 1.25 4.57 -0.41 -1.84 114.58 120.02 1a5u h GLU 4484Ca 0.27 -0.15 -0.04 0.00 -1.18 0.00 0.00 59.36 58.27 1a5u h GLU 4484Cb -0.07 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.36 1a5u h GLU 4484CO -0.08 0.75 -0.18 0.00 -1.18 0.00 0.00 179.01 178.33 1a5u h ALA 4485N 1.12 1.04 -1.67 2.92 0.00 -0.62 -3.45 119.26 118.60 1a5u h ALA 4485Ca 0.21 -0.16 -0.44 0.00 0.00 0.00 0.00 54.91 54.52 1a5u h ALA 4485Cb 0.15 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1a5u h ALA 4485CO -0.02 0.22 -0.32 -1.12 0.00 0.00 0.00 179.25 178.01 1a5u s SER 4486N -6.11 5.77 0.20 0.00 0.01 -0.13 -4.93 113.70 108.52 1a5u s SER 4486Ca 0.00 -0.31 0.16 0.00 1.31 0.00 0.00 55.95 57.11 1a5u s SER 4486Cb 0.10 -0.99 -0.01 0.00 0.21 0.00 0.00 66.02 65.33 1a5u s SER 4486CO 0.62 -0.54 1.22 0.44 0.41 0.00 0.00 173.24 175.39 1a5u h ASP 4487N 0.84 0.00 -5.79 2.44 3.32 -1.67 -3.47 116.42 112.09 1a5u h ASP 4487Ca -0.44 0.00 0.33 0.00 0.02 0.00 0.00 57.03 56.95 1a5u h ASP 4487Cb 1.26 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.69 1a5u h ASP 4487CO 0.51 0.51 0.84 -0.83 -1.72 0.00 0.00 179.24 178.54 1a5u s GLY 4488N -4.57 -0.42 0.09 2.75 0.00 -1.12 -4.14 107.32 99.91 1a5u s GLY 4488Ca 0.02 0.70 0.05 0.00 0.00 0.00 0.00 44.72 45.49 1a5u s GLY 4488CO 0.77 0.17 -0.14 -0.42 0.00 0.00 0.00 173.10 173.47 1a5u s ILE 4489N -2.40 1.21 -0.09 0.90 -1.09 -0.39 0.20 121.20 119.54 1a5u s ILE 4489Ca 0.14 -1.47 0.02 0.00 -2.23 0.00 0.00 60.65 57.11 1a5u s ILE 4489Cb 0.05 -1.26 0.01 0.00 -1.58 0.00 0.00 42.46 39.69 1a5u s ILE 4489CO -0.04 -0.29 -0.14 -0.32 -1.23 0.00 0.00 174.94 172.92 1a5u s MET 4490N -2.10 1.98 -0.60 2.79 -2.45 0.00 0.40 119.30 119.33 1a5u s MET 4490Ca 0.02 -0.48 -0.23 0.00 -1.25 0.00 0.00 55.69 53.75 1a5u s MET 4490Cb -0.08 -1.70 0.05 0.00 1.25 0.00 0.00 34.83 34.36 1a5u s MET 4490CO 0.02 -0.05 0.94 0.08 1.05 0.00 0.00 175.02 177.07 1a5u s VAL 4491N 0.94 4.37 -1.16 10.11 1.01 0.27 -1.52 120.40 134.42 1a5u s VAL 4491Ca -0.08 -0.01 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 1a5u s VAL 4491Cb -0.15 -4.59 0.16 0.00 0.00 0.00 0.00 36.38 31.79 1a5u s VAL 4491CO -0.00 -1.25 1.39 0.00 0.00 0.00 0.00 175.10 175.24 1a5u s ALA 4492N 3.97 3.83 0.39 5.51 0.00 -0.68 -2.32 121.76 132.48 1a5u s ALA 4492Ca 0.26 -3.21 0.06 0.00 0.00 0.00 0.00 51.96 49.07 1a5u s ALA 4492Cb -0.14 -4.14 0.80 0.00 0.00 0.00 0.00 23.12 19.64 1a5u s ALA 4492CO 0.15 -2.85 2.03 0.00 0.00 0.00 0.00 175.76 175.09 1a5u h ARG 4493N 7.52 0.57 0.00 0.00 3.08 -1.81 -0.52 114.38 123.23 1a5u h ARG 4493Ca 0.29 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1a5u h ARG 4493Cb 0.90 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1a5u h ARG 4493CO 1.23 0.40 0.00 0.41 -1.07 0.00 0.00 179.97 180.94 1a5u n GLY 4494N -1.40 -2.82 0.24 0.04 0.00 -1.26 -0.21 105.19 99.78 1a5u n GLY 4494Ca 0.03 0.30 -0.03 0.00 0.00 0.00 0.00 46.02 46.33 1a5u n GLY 4494CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a5u h ASP 4495N 0.00 0.44 -0.77 1.61 3.32 -1.87 -2.79 116.42 116.36 1a5u h ASP 4495Ca 0.00 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 1a5u h ASP 4495Cb 0.00 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 1a5u h ASP 4495CO 0.00 0.68 0.45 0.25 -1.72 0.00 0.00 179.24 178.91 1a5u h LEU 4496N 0.40 0.93 -2.03 1.55 5.85 -0.92 -0.92 115.31 120.17 1a5u h LEU 4496Ca 0.06 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.77 1a5u h LEU 4496Cb 0.63 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1a5u h LEU 4496CO 0.05 0.73 0.11 1.23 -0.34 0.00 0.00 178.44 180.21 1a5u h GLY 4497N 1.10 0.00 0.41 3.75 0.00 -0.30 -1.19 103.07 106.83 1a5u h GLY 4497Ca 0.28 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.24 1a5u h GLY 4497CO -0.05 0.00 -2.15 0.29 0.00 0.00 0.00 176.54 174.63 1a5u n ILE 4498N -4.43 1.62 -0.26 2.60 -0.00 -0.87 -3.71 119.36 114.31 1a5u n ILE 4498Ca 0.01 -0.67 -0.00 0.00 -0.00 0.00 0.00 62.75 62.08 1a5u n ILE 4498Cb 0.24 -1.39 0.20 0.00 -0.00 0.00 0.00 39.64 38.68 1a5u n ILE 4498CO 0.00 0.00 0.00 -0.33 -0.00 0.00 0.00 176.55 176.22 1a5u h GLU 4499N 0.03 1.08 -5.43 6.28 4.39 -0.99 -3.45 114.58 116.49 1a5u h GLU 4499Ca -0.47 -0.08 -0.48 0.00 0.34 0.00 0.00 59.36 58.68 1a5u h GLU 4499Cb 2.01 -0.24 -0.14 0.00 -0.10 0.00 0.00 28.75 30.29 1a5u h GLU 4499CO 0.03 0.73 -0.66 0.96 -1.16 0.00 0.00 179.01 178.90 1a5u s ILE 4500N -5.88 1.53 0.21 3.13 -4.36 -0.47 -4.70 121.20 110.66 1a5u s ILE 4500Ca -0.11 -2.09 -0.32 0.00 -0.26 0.00 0.00 60.65 57.86 1a5u s ILE 4500Cb 0.18 -2.50 -0.13 0.00 1.25 0.00 0.00 42.46 41.26 1a5u s ILE 4500CO 0.79 -0.26 1.63 -2.65 0.24 0.00 0.00 174.94 174.70 1a5u n PRO 4501N -0.59 2.48 -0.33 0.37 -0.02 -1.26 -4.55 135.00 131.10 1a5u n PRO 4501Ca -0.05 0.89 0.17 0.00 -2.02 0.00 0.00 63.50 62.49 1a5u n PRO 4501Cb 0.64 -2.69 0.37 0.00 -0.02 0.00 0.00 33.50 31.80 1a5u n PRO 4501CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a5u h ALA 4502N 5.95 1.69 0.00 3.55 0.00 -1.92 0.49 119.26 129.02 1a5u h ALA 4502Ca -0.44 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1a5u h ALA 4502Cb 1.23 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1a5u h ALA 4502CO 0.89 -0.33 0.00 -0.85 0.00 0.00 0.00 179.25 178.96 1a5u n GLU 4503N -4.96 0.15 0.03 0.00 0.00 -1.26 -3.14 120.64 111.46 1a5u n GLU 4503Ca 0.26 0.48 0.07 0.00 0.00 0.00 0.00 57.16 57.97 1a5u n GLU 4503Cb 0.74 -1.85 -0.09 0.00 0.00 0.00 0.00 31.44 30.24 1a5u n GLU 4503CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1a5u n LYS 4504N -2.14 0.64 -0.29 3.44 5.02 0.17 -4.57 118.16 120.42 1a5u n LYS 4504Ca 0.01 0.01 0.24 0.00 -2.02 0.00 0.00 58.31 56.55 1a5u n LYS 4504Cb 0.15 -1.68 0.56 0.00 -0.02 0.00 0.00 35.03 34.04 1a5u n LYS 4504CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1a5u h VAL 4505N 0.00 0.55 0.00 -0.18 2.07 -1.48 -1.74 116.25 115.47 1a5u h VAL 4505Ca -0.08 -0.11 -0.13 0.00 0.82 0.00 0.00 66.70 67.20 1a5u h VAL 4505Cb 1.22 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1a5u h VAL 4505CO 0.01 0.06 -0.62 2.19 0.02 0.00 0.00 177.57 179.23 1a5u h PHE 4506N 0.32 0.00 -0.20 1.57 -0.00 -1.82 -0.36 116.94 116.44 1a5u h PHE 4506Ca 0.55 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 58.50 1a5u h PHE 4506Cb 1.53 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.47 1a5u h PHE 4506CO -0.00 0.62 0.08 -0.07 -0.00 0.00 0.00 178.31 178.94 1a5u h LEU 4507N 0.00 0.27 -0.68 2.10 3.38 -1.63 -1.20 115.31 117.55 1a5u h LEU 4507Ca -0.01 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 1a5u h LEU 4507Cb 1.30 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 1a5u h LEU 4507CO 0.08 0.36 0.07 0.00 0.09 0.00 0.00 178.44 179.05 1a5u h ALA 4508N 0.92 0.90 -0.57 1.53 0.00 -1.34 -1.10 119.26 119.60 1a5u h ALA 4508Ca 0.07 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1a5u h ALA 4508Cb 0.17 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1a5u h ALA 4508CO -0.01 0.67 0.22 0.37 0.00 0.00 0.00 179.25 180.50 1a5u h GLN 4509N 1.01 0.86 -0.17 0.00 4.15 -0.94 -1.30 115.11 118.72 1a5u h GLN 4509Ca 0.19 -0.16 -0.12 0.00 0.77 0.00 0.00 58.65 59.34 1a5u h GLN 4509Cb 0.48 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.03 1a5u h GLN 4509CO 0.02 0.75 -0.35 0.87 -1.93 0.00 0.00 178.83 178.19 1a5u h LYS 4510N 0.78 0.54 -0.30 1.69 1.57 -1.13 -1.18 116.57 118.54 1a5u h LYS 4510Ca 0.19 -0.35 0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1a5u h LYS 4510Cb 0.22 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1a5u h LYS 4510CO -0.01 0.96 0.19 1.98 -0.57 0.00 0.00 179.45 181.99 1a5u h MET 4511N 0.19 0.37 0.60 3.15 4.05 -1.12 0.45 114.93 122.61 1a5u h MET 4511Ca 0.01 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.37 1a5u h MET 4511Cb 0.95 -0.08 0.01 0.00 -0.80 0.00 0.00 31.60 31.67 1a5u h MET 4511CO 0.08 0.24 -0.29 0.82 0.23 0.00 0.00 176.91 177.99 1a5u h ILE 4512N 0.38 0.40 -0.56 1.77 2.04 -1.25 0.23 117.51 120.52 1a5u h ILE 4512Ca 0.11 -0.06 0.07 0.00 1.00 0.00 0.00 64.86 65.98 1a5u h ILE 4512Cb -0.03 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 36.42 1a5u h ILE 4512CO -0.04 0.01 0.25 0.40 0.00 0.00 0.00 178.15 178.77 1a5u h ILE 4513N -0.85 0.87 -0.49 -0.67 2.04 -1.10 -0.31 117.51 116.99 1a5u h ILE 4513Ca -0.08 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 65.66 1a5u h ILE 4513Cb 0.64 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1a5u h ILE 4513CO 0.14 0.08 0.23 1.23 0.00 0.00 0.00 178.15 179.83 1a5u h GLY 4514N 0.46 0.68 2.00 5.37 0.00 0.14 -1.23 103.07 110.49 1a5u h GLY 4514Ca 0.27 -0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.39 1a5u h GLY 4514CO -0.23 0.09 -0.24 3.21 0.00 0.00 0.00 176.54 179.37 1a5u h ARG 4515N 0.46 0.00 -0.08 4.80 3.08 0.60 -2.20 114.38 121.04 1a5u h ARG 4515Ca 0.22 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.06 1a5u h ARG 4515Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1a5u h ARG 4515CO -0.17 0.24 -0.81 0.00 -1.07 0.00 0.00 179.97 178.16 1a5u h ASN 4517N 0.37 0.53 -0.33 0.00 -0.26 -1.12 0.50 115.58 115.27 1a5u h ASN 4517Ca -0.06 -0.08 -0.04 0.00 -0.56 0.00 0.00 56.30 55.57 1a5u h ASN 4517Cb 1.43 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 38.53 1a5u h ASN 4517CO 0.15 0.45 0.08 -0.09 -1.06 0.00 0.00 177.43 176.97 1a5u h ARG 4518N 0.56 0.61 0.02 0.81 2.43 -1.36 -3.09 114.38 114.37 1a5u h ARG 4518Ca 0.15 -0.11 -0.31 0.00 -0.81 0.00 0.00 59.98 58.90 1a5u h ARG 4518Cb 0.03 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.44 1a5u h ARG 4518CO -0.03 0.57 -1.82 0.00 -1.51 0.00 0.00 179.97 177.19 1a5u n ALA 4519N -2.47 1.40 0.00 2.80 0.00 -0.85 -4.82 120.51 116.57 1a5u n ALA 4519Ca 0.02 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1a5u n ALA 4519Cb 0.21 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1a5u n ALA 4519CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5u n GLY 4520N 1.65 1.13 3.74 0.00 0.00 0.17 -5.08 105.19 106.80 1a5u n GLY 4520Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 1a5u n GLY 4520CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5u s LYS 4521N -0.66 3.25 0.27 1.61 1.02 -0.76 -4.97 119.74 119.50 1a5u s LYS 4521Ca 0.00 -0.31 -0.30 0.00 0.02 0.00 0.00 55.97 55.38 1a5u s LYS 4521Cb 0.00 -2.97 -0.13 0.00 -0.52 0.00 0.00 37.83 34.20 1a5u s LYS 4521CO 0.00 0.68 1.27 -2.30 -0.92 0.00 0.00 175.35 174.08 1a5u n PRO 4522N 2.25 1.82 -4.43 -1.68 -0.02 -1.26 -4.45 135.00 127.23 1a5u n PRO 4522Ca -0.19 0.64 -0.22 0.00 -2.02 0.00 0.00 63.50 61.72 1a5u n PRO 4522Cb 0.54 -2.21 -0.13 0.00 -0.02 0.00 0.00 33.50 31.68 1a5u n PRO 4522CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1a5u s VAL 4523N -0.55 1.31 -0.06 -1.45 0.11 -1.26 -1.26 120.40 117.24 1a5u s VAL 4523Ca 0.63 -1.10 0.04 0.00 -2.93 0.00 0.00 61.98 58.62 1a5u s VAL 4523Cb -0.66 -1.17 0.00 0.00 -1.53 0.00 0.00 36.38 33.02 1a5u s VAL 4523CO 0.55 0.05 -0.18 -0.63 -3.33 0.00 0.00 175.10 171.57 1a5u s ILE 4524N -0.87 1.50 -0.19 7.04 1.01 0.16 -1.14 121.20 128.72 1a5u s ILE 4524Ca 0.03 -0.73 -0.08 0.00 0.00 0.00 0.00 60.65 59.87 1a5u s ILE 4524Cb -0.08 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 1a5u s ILE 4524CO 0.02 0.43 0.09 0.00 0.00 0.00 0.00 174.94 175.48 1a5u s ALA 4526N 0.28 0.83 0.01 0.00 0.00 -0.98 -1.79 121.76 120.11 1a5u s ALA 4526Ca 0.06 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.63 1a5u s ALA 4526Cb -0.12 0.55 0.00 0.00 0.00 0.00 0.00 23.12 23.55 1a5u s ALA 4526CO -0.01 -0.40 0.00 2.41 0.00 0.00 0.00 175.76 177.77 1a5u n THR 4527N -0.04 -2.34 -1.97 0.00 -1.04 -1.26 -3.21 114.28 104.40 1a5u n THR 4527Ca -0.09 0.10 -0.14 0.00 -2.04 0.00 0.00 64.05 61.88 1a5u n THR 4527Cb 0.62 -2.27 -0.02 0.00 -1.82 0.00 0.00 70.33 66.84 1a5u n THR 4527CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a5u n GLN 4528N 0.06 -1.06 -0.05 -2.82 6.02 -1.26 -4.66 117.38 113.61 1a5u n GLN 4528Ca 0.00 0.78 -0.13 0.00 -0.01 0.00 0.00 57.00 57.63 1a5u n GLN 4528Cb 0.00 -4.98 -0.07 0.00 1.02 0.00 0.00 30.24 26.20 1a5u n GLN 4528CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1a5u h MET 4529N 0.00 0.38 -0.87 -1.09 2.86 -1.89 -3.26 114.93 111.06 1a5u h MET 4529Ca -0.31 -0.22 -0.56 0.00 -2.06 0.00 0.00 59.70 56.55 1a5u h MET 4529Cb 1.13 0.02 -0.43 0.00 0.06 0.00 0.00 31.60 32.38 1a5u h MET 4529CO 0.40 0.79 -0.80 1.28 1.06 0.00 0.00 176.91 179.64 1a5u n LEU 4530N -4.51 4.91 -0.38 1.22 4.77 -1.26 -4.62 117.00 117.13 1a5u n LEU 4530Ca -0.06 -4.82 -0.11 0.00 -0.03 0.00 0.00 56.01 50.99 1a5u n LEU 4530Cb 0.39 -0.36 -0.10 0.00 -2.33 0.00 0.00 43.42 41.03 1a5u n LEU 4530CO 0.40 2.13 0.49 -0.08 -1.33 0.00 0.00 177.39 178.99 1a5u h GLU 4531N 2.24 -0.05 -0.91 3.23 4.57 -1.96 -0.56 114.58 121.13 1a5u h GLU 4531Ca 0.36 0.00 0.27 0.00 -1.18 0.00 0.00 59.36 58.81 1a5u h GLU 4531Cb 1.44 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 30.01 1a5u h GLU 4531CO 0.78 -0.04 0.86 0.66 -1.18 0.00 0.00 179.01 180.09 1a5u h SER 4532N -0.06 0.00 0.00 1.04 4.64 -1.91 -2.01 113.55 115.25 1a5u h SER 4532Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1a5u h SER 4532Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1a5u h SER 4532CO -0.89 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.30 1a5u n MET 4533N -3.70 0.44 0.10 4.77 2.81 -0.22 -1.50 117.12 119.82 1a5u n MET 4533Ca 0.20 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 56.03 1a5u n MET 4533Cb 1.16 -1.26 0.03 0.00 -0.71 0.00 0.00 33.22 32.44 1a5u n MET 4533CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1a5u h ILE 4534N 0.00 1.54 0.00 2.02 2.04 -1.56 -3.19 117.51 118.36 1a5u h ILE 4534Ca 0.00 -2.64 -0.10 0.00 1.00 0.00 0.00 64.86 63.12 1a5u h ILE 4534Cb 0.00 2.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 1a5u h ILE 4534CO 0.00 0.76 -1.36 0.29 0.00 0.00 0.00 178.15 177.84 1a5u n LYS 4535N -3.63 2.39 -4.05 2.37 4.76 -0.89 0.24 118.16 119.35 1a5u n LYS 4535Ca -0.02 0.01 -0.23 0.00 -2.87 0.00 0.00 58.31 55.21 1a5u n LYS 4535Cb 0.77 -1.13 -0.06 0.00 -1.84 0.00 0.00 35.03 32.76 1a5u n LYS 4535CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1a5u s LYS 4536N -2.13 2.44 0.07 1.97 3.01 -0.56 -4.92 119.74 119.62 1a5u s LYS 4536Ca -0.04 -1.50 0.25 0.00 -1.01 0.00 0.00 55.97 53.67 1a5u s LYS 4536Cb 0.02 -2.23 0.45 0.00 -1.01 0.00 0.00 37.83 35.05 1a5u s LYS 4536CO 0.20 0.11 1.38 -0.35 0.51 0.00 0.00 175.35 177.20 1a5u n PRO 4537N -1.19 0.17 -4.67 -1.68 -0.05 -1.26 -4.34 135.00 121.98 1a5u n PRO 4537Ca -0.03 0.05 -0.23 0.00 -0.05 0.00 0.00 63.50 63.24 1a5u n PRO 4537Cb 0.61 -1.61 -0.15 0.00 -0.05 0.00 0.00 33.50 32.30 1a5u n PRO 4537CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 175.50 176.48 1a5u s ARG 4538N -3.10 1.18 0.74 0.54 0.52 -1.26 -4.94 118.95 112.64 1a5u s ARG 4538Ca 0.08 -0.52 -0.11 0.00 -0.52 0.00 0.00 55.73 54.66 1a5u s ARG 4538Cb 0.15 -1.14 0.04 0.00 0.52 0.00 0.00 34.95 34.52 1a5u s ARG 4538CO 0.70 0.31 1.12 -1.25 0.02 0.00 0.00 175.30 176.20 1a5u s PRO 4539N -0.33 2.46 0.98 3.54 0.04 -1.26 -4.72 135.00 135.71 1a5u s PRO 4539Ca 0.05 0.26 -0.17 0.00 0.04 0.00 0.00 61.00 61.19 1a5u s PRO 4539Cb -0.06 -2.01 0.23 0.00 0.04 0.00 0.00 34.50 32.70 1a5u s PRO 4539CO -0.01 -1.26 1.26 0.25 0.04 0.00 0.00 177.00 177.28 1a5u n THR 4540N -3.11 0.00 0.13 1.26 -2.24 -1.26 -4.90 114.28 104.15 1a5u n THR 4540Ca 0.07 -0.89 -0.23 0.00 -2.27 0.00 0.00 64.05 60.74 1a5u n THR 4540Cb 0.59 -1.49 -0.15 0.00 -2.10 0.00 0.00 70.33 67.19 1a5u n THR 4540CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1a5u h ARG 4541N 0.00 0.51 -0.94 -0.78 2.47 -1.99 -2.86 114.38 110.79 1a5u h ARG 4541Ca -0.42 -0.82 0.04 0.00 -1.26 0.00 0.00 59.98 57.52 1a5u h ARG 4541Cb 1.16 0.30 -0.06 0.00 -1.65 0.00 0.00 29.97 29.72 1a5u h ARG 4541CO 0.29 1.39 0.61 0.00 0.56 0.00 0.00 179.97 182.82 1a5u h ALA 4542N 0.27 1.25 0.06 0.04 0.00 -1.99 -0.53 119.26 118.37 1a5u h ALA 4542Ca -0.22 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1a5u h ALA 4542Cb 2.07 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1a5u h ALA 4542CO 0.26 0.48 -0.03 0.93 0.00 0.00 0.00 179.25 180.88 1a5u h GLU 4543N 1.18 -0.08 -0.64 0.00 5.08 -1.81 0.12 114.58 118.43 1a5u h GLU 4543Ca 0.38 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.81 1a5u h GLU 4543Cb 0.02 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1a5u h GLU 4543CO -0.13 0.07 0.43 0.78 -1.00 0.00 0.00 179.01 179.16 1a5u h GLY 4544N -0.21 0.78 0.91 -3.84 0.00 -1.12 -1.27 103.07 98.32 1a5u h GLY 4544Ca -0.01 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 1a5u h GLY 4544CO 0.01 0.18 -0.09 0.23 0.00 0.00 0.00 176.54 176.87 1a5u h SER 4545N 0.61 0.63 0.23 0.19 0.87 -0.67 -2.83 113.55 112.58 1a5u h SER 4545Ca 0.28 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1a5u h SER 4545Cb 0.32 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.07 1a5u h SER 4545CO -0.09 0.85 -0.53 -0.78 -0.53 0.00 0.00 176.83 175.76 1a5u h ASP 4546N 0.39 -1.54 0.16 6.23 3.58 0.20 0.72 116.42 126.15 1a5u h ASP 4546Ca 0.08 0.15 0.02 0.00 0.42 0.00 0.00 57.03 57.70 1a5u h ASP 4546Cb 0.59 0.55 -0.04 0.00 1.72 0.00 0.00 39.33 42.15 1a5u h ASP 4546CO 0.03 -0.59 -0.37 0.58 -2.88 0.00 0.00 179.24 176.01 1a5u h VAL 4547N -0.83 0.24 -0.24 2.25 2.07 -1.52 0.12 116.25 118.34 1a5u h VAL 4547Ca -0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.55 1a5u h VAL 4547Cb 0.80 0.24 -0.08 0.00 -1.52 0.00 0.00 31.29 30.73 1a5u h VAL 4547CO -0.23 0.00 -0.43 0.00 0.02 0.00 0.00 177.57 176.94 1a5u h ALA 4548N -0.08 -0.54 -0.54 1.67 0.00 -1.26 0.26 119.26 118.77 1a5u h ALA 4548Ca 0.02 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1a5u h ALA 4548Cb 0.64 0.83 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 1a5u h ALA 4548CO -0.19 -0.91 0.36 -0.91 0.00 0.00 0.00 179.25 177.60 1a5u h ASN 4549N -0.43 0.46 -0.45 0.00 -0.26 -0.76 -0.08 115.58 114.07 1a5u h ASN 4549Ca 0.10 -0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.76 1a5u h ASN 4549Cb 0.61 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.75 1a5u h ASN 4549CO -0.47 0.31 0.00 0.00 -1.06 0.00 0.00 177.43 176.21 1a5u h ALA 4550N 1.70 1.04 -0.25 -0.83 0.00 0.13 0.30 119.26 121.37 1a5u h ALA 4550Ca 0.23 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1a5u h ALA 4550Cb 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1a5u h ALA 4550CO -0.06 0.60 -0.01 0.28 0.00 0.00 0.00 179.25 180.06 1a5u h VAL 4551N 0.80 1.26 -0.61 0.00 2.07 -0.54 -2.42 116.25 116.82 1a5u h VAL 4551Ca 0.15 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 1a5u h VAL 4551Cb 0.47 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1a5u h VAL 4551CO 0.02 0.29 0.31 -0.07 0.02 0.00 0.00 177.57 178.14 1a5u h LEU 4552N 0.21 0.75 -1.66 2.57 4.07 -0.85 -1.42 115.31 118.99 1a5u h LEU 4552Ca 0.07 -0.06 -0.04 0.00 0.08 0.00 0.00 57.88 57.93 1a5u h LEU 4552Cb 0.42 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 1a5u h LEU 4552CO 0.01 0.63 -0.17 0.44 -1.08 0.00 0.00 178.44 178.27 1a5u h ASP 4553N 0.85 0.00 0.00 -0.43 3.32 -0.14 -3.47 116.42 116.55 1a5u h ASP 4553Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1a5u h ASP 4553Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1a5u h ASP 4553CO -0.03 0.17 0.00 0.61 -1.72 0.00 0.00 179.24 178.27 1a5u n GLY 4554N -1.04 1.26 3.70 2.75 0.00 -0.53 -4.68 105.19 106.64 1a5u n GLY 4554Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 1a5u n GLY 4554CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5u n ALA 4555N -0.15 2.02 0.05 4.61 0.00 -0.94 -4.90 120.51 121.19 1a5u n ALA 4555Ca 0.00 0.41 -0.06 0.00 0.00 0.00 0.00 53.44 53.80 1a5u n ALA 4555Cb 0.00 -2.42 0.13 0.00 0.00 0.00 0.00 19.45 17.17 1a5u n ALA 4555CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1a5u h ASP 4556N 5.73 0.39 -4.89 0.00 5.19 -1.44 -3.45 116.42 117.95 1a5u h ASP 4556Ca -0.45 -0.20 -0.18 0.00 -0.62 0.00 0.00 57.03 55.58 1a5u h ASP 4556Cb 1.23 -0.11 -0.16 0.00 0.18 0.00 0.00 39.33 40.48 1a5u h ASP 4556CO 0.87 0.83 -0.69 0.00 -3.12 0.00 0.00 179.24 177.13 1a5u s ILE 4558N -3.44 1.29 0.19 0.00 -4.36 0.14 -1.34 121.20 113.68 1a5u s ILE 4558Ca 0.07 -1.25 0.09 0.00 -0.26 0.00 0.00 60.65 59.30 1a5u s ILE 4558Cb 0.04 -1.19 -0.04 0.00 1.25 0.00 0.00 42.46 42.52 1a5u s ILE 4558CO -0.06 -0.08 -0.19 -0.32 0.24 0.00 0.00 174.94 174.53 1a5u s MET 4559N -1.53 1.35 -0.16 0.37 1.75 -0.74 -0.85 119.30 119.50 1a5u s MET 4559Ca 0.02 -1.48 0.00 0.00 -1.25 0.00 0.00 55.69 52.98 1a5u s MET 4559Cb -0.09 -1.41 0.03 0.00 2.84 0.00 0.00 34.83 36.20 1a5u s MET 4559CO 0.02 0.28 -0.12 -0.51 -0.65 0.00 0.00 175.02 174.04 1a5u s LEU 4560N -2.84 1.80 0.00 4.11 1.43 0.71 -4.33 118.68 119.56 1a5u s LEU 4560Ca 0.19 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1a5u s LEU 4560Cb -0.05 -1.15 0.00 0.00 0.03 0.00 0.00 46.19 45.02 1a5u s LEU 4560CO 0.08 -0.09 0.00 -1.20 0.23 0.00 0.00 176.35 175.37 1a5u n SER 4561N 4.77 0.00 0.17 2.29 7.64 -1.26 -1.59 113.62 125.64 1a5u n SER 4561Ca -0.16 0.00 0.19 0.00 1.01 0.00 0.00 58.87 59.91 1a5u n SER 4561Cb 0.49 0.00 0.76 0.00 -1.01 0.00 0.00 64.21 64.45 1a5u n SER 4561CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1a5u h GLY 4562N 0.00 0.00 1.01 0.23 0.00 -1.97 -0.01 103.07 102.33 1a5u h GLY 4562Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.46 1a5u h GLY 4562CO 0.00 0.00 0.37 0.83 0.00 0.00 0.00 176.54 177.74 1a5u h GLU 4563N 0.00 0.13 0.00 4.80 3.07 -1.90 0.42 114.58 121.10 1a5u h GLU 4563Ca 0.13 -0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 58.87 1a5u h GLU 4563Cb 0.94 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.80 1a5u h GLU 4563CO -0.00 0.08 -1.42 0.25 -1.40 0.00 0.00 179.01 176.53 1a5u n THR 4564N -4.42 0.42 -0.03 1.13 -2.24 -0.42 -3.34 114.28 105.37 1a5u n THR 4564Ca 0.09 -0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.51 1a5u n THR 4564Cb 0.51 -0.84 -0.05 0.00 -2.10 0.00 0.00 70.33 67.85 1a5u n THR 4564CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a5u h ALA 4565N 0.29 0.18 0.00 6.98 0.00 -0.80 -3.15 119.26 122.76 1a5u h ALA 4565Ca -0.17 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1a5u h ALA 4565Cb 1.37 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1a5u h ALA 4565CO 0.01 -0.25 -0.20 0.36 0.00 0.00 0.00 179.25 179.17 1a5u n LYS 4566N -4.91 4.32 -0.63 0.00 2.85 -0.82 0.03 118.16 119.01 1a5u n LYS 4566Ca -0.05 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.90 1a5u n LYS 4566Cb 0.10 -0.56 0.18 0.00 -0.65 0.00 0.00 35.03 34.11 1a5u n LYS 4566CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1a5u n GLY 4567N 0.52 -2.51 0.13 2.58 0.00 0.08 -4.71 105.19 101.28 1a5u n GLY 4567Ca 0.00 -0.85 0.12 0.00 0.00 0.00 0.00 46.02 45.29 1a5u n GLY 4567CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a5u h ASP 4568N -2.22 0.00 -2.11 1.61 3.32 0.29 -3.39 116.42 113.92 1a5u h ASP 4568Ca -0.53 -0.05 -0.55 0.00 0.02 0.00 0.00 57.03 55.92 1a5u h ASP 4568Cb 1.33 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.47 1a5u h ASP 4568CO 0.38 0.03 -0.93 -1.22 -1.72 0.00 0.00 179.24 175.78 1a5u n TYR 4569N -2.62 1.70 -0.04 4.55 4.01 -1.20 -4.93 117.16 118.63 1a5u n TYR 4569Ca 0.02 -3.87 -0.12 0.00 -0.16 0.00 0.00 57.90 53.77 1a5u n TYR 4569Cb 0.51 -0.45 -0.07 0.00 -0.31 0.00 0.00 39.34 39.02 1a5u n TYR 4569CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1a5u h PRO 4570N 3.38 0.24 -0.68 -0.72 0.13 -1.76 -1.34 132.00 131.25 1a5u h PRO 4570Ca 0.12 -0.09 -0.03 0.00 -0.87 0.00 0.00 66.00 65.13 1a5u h PRO 4570Cb 0.77 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.86 1a5u h PRO 4570CO 0.63 0.53 0.32 -0.07 -0.23 0.00 0.00 178.00 179.18 1a5u h LEU 4571N -0.06 0.90 -0.56 1.56 3.38 -1.92 0.20 115.31 118.82 1a5u h LEU 4571Ca 0.03 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.90 1a5u h LEU 4571Cb 0.44 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1a5u h LEU 4571CO 0.01 0.79 0.31 -0.33 0.09 0.00 0.00 178.44 179.31 1a5u h GLU 4572N 0.95 0.58 -0.66 1.13 3.07 -1.95 0.33 114.58 118.03 1a5u h GLU 4572Ca 0.23 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1a5u h GLU 4572Cb 0.14 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 27.89 1a5u h GLU 4572CO -0.03 0.38 0.43 0.00 -1.40 0.00 0.00 179.01 178.40 1a5u h ALA 4573N 1.28 0.84 -0.30 3.43 0.00 -0.72 0.41 119.26 124.21 1a5u h ALA 4573Ca 0.24 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1a5u h ALA 4573Cb 0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1a5u h ALA 4573CO -0.14 0.28 0.09 0.28 0.00 0.00 0.00 179.25 179.76 1a5u h VAL 4574N 0.90 1.20 -0.71 0.00 2.07 -0.03 -2.02 116.25 117.67 1a5u h VAL 4574Ca 0.24 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 1a5u h VAL 4574Cb -0.09 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1a5u h VAL 4574CO -0.05 0.22 0.32 0.03 0.02 0.00 0.00 177.57 178.11 1a5u h ARG 4575N 0.32 1.02 -0.55 1.57 3.08 0.40 -2.41 114.38 117.81 1a5u h ARG 4575Ca 0.10 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1a5u h ARG 4575Cb 0.25 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 1a5u h ARG 4575CO -0.00 0.80 0.36 1.98 -1.07 0.00 0.00 179.97 182.03 1a5u h MET 4576N 1.01 0.73 -0.60 0.04 4.05 0.12 -1.38 114.93 118.91 1a5u h MET 4576Ca 0.24 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.61 1a5u h MET 4576Cb 0.13 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 30.74 1a5u h MET 4576CO -0.03 0.50 0.37 1.96 0.23 0.00 0.00 176.91 179.94 1a5u h GLN 4577N 0.75 0.80 -0.99 0.39 4.20 -1.01 -0.23 115.11 119.03 1a5u h GLN 4577Ca 0.20 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.87 1a5u h GLN 4577Cb -0.07 -0.17 -0.05 0.00 0.30 0.00 0.00 27.48 27.49 1a5u h GLN 4577CO -0.04 0.57 0.65 1.25 -0.67 0.00 0.00 178.83 180.59 1a5u h HIS 4578N 0.81 1.23 -0.17 2.96 2.76 -1.05 -1.03 115.15 120.66 1a5u h HIS 4578Ca 0.22 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.35 1a5u h HIS 4578Cb -0.04 -0.41 -0.00 0.00 1.55 0.00 0.00 27.41 28.50 1a5u h HIS 4578CO -0.02 0.74 -0.16 -0.07 -1.30 0.00 0.00 177.93 177.13 1a5u h LEU 4579N 1.30 0.42 -0.43 0.26 3.38 -0.68 -2.95 115.31 116.62 1a5u h LEU 4579Ca 0.38 -0.47 -0.16 0.00 0.09 0.00 0.00 57.88 57.71 1a5u h LEU 4579Cb -0.08 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1a5u h LEU 4579CO -0.10 0.81 -0.45 0.40 0.09 0.00 0.00 178.44 179.19 1a5u h ILE 4580N 0.04 1.28 -0.22 1.22 2.04 -0.86 -3.16 117.51 117.85 1a5u h ILE 4580Ca 0.03 -1.63 0.04 0.00 1.00 0.00 0.00 64.86 64.29 1a5u h ILE 4580Cb 0.69 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 1a5u h ILE 4580CO 0.04 0.53 0.00 0.00 0.00 0.00 0.00 178.15 178.73 1a5u h ALA 4581N 0.83 0.20 -0.75 1.87 0.00 -1.22 -1.97 119.26 118.22 1a5u h ALA 4581Ca 0.04 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.12 1a5u h ALA 4581Cb 1.02 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 1a5u h ALA 4581CO 0.10 -0.42 0.36 0.00 0.00 0.00 0.00 179.25 179.29 1a5u h ARG 4582N 0.08 0.57 -0.28 0.00 3.08 -1.51 0.31 114.38 116.63 1a5u h ARG 4582Ca 0.11 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1a5u h ARG 4582Cb 0.13 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1a5u h ARG 4582CO -0.18 0.37 0.10 0.93 -1.07 0.00 0.00 179.97 180.13 1a5u h GLU 4583N 0.58 0.43 -0.32 0.04 4.39 -1.39 -2.15 114.58 116.16 1a5u h GLU 4583Ca 0.39 -0.08 -0.11 0.00 0.34 0.00 0.00 59.36 59.89 1a5u h GLU 4583Cb 0.47 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1a5u h GLU 4583CO -0.31 0.47 -0.25 0.00 -1.16 0.00 0.00 179.01 177.75 1a5u h ALA 4584N 0.94 0.96 0.36 3.43 0.00 -0.89 -0.64 119.26 123.42 1a5u h ALA 4584Ca 0.09 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1a5u h ALA 4584Cb 0.21 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1a5u h ALA 4584CO -0.01 0.60 -0.21 0.93 0.00 0.00 0.00 179.25 180.57 1a5u h GLU 4585N 0.55 -0.52 -0.47 0.00 5.08 -0.24 -1.07 114.58 117.92 1a5u h GLU 4585Ca 0.08 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.55 1a5u h GLU 4585Cb 0.73 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.07 1a5u h GLU 4585CO 0.06 -0.35 0.32 0.00 -1.00 0.00 0.00 179.01 178.04 1a5u h ALA 4586N 0.08 2.07 0.00 3.43 0.00 -1.16 -1.72 119.26 121.95 1a5u h ALA 4586Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1a5u h ALA 4586Cb 0.44 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1a5u h ALA 4586CO 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.13 1a5u n ALA 4587N -2.54 2.42 -2.18 0.00 0.00 -0.27 -4.54 120.51 113.40 1a5u n ALA 4587Ca 0.07 -0.03 -0.27 0.00 0.00 0.00 0.00 53.44 53.21 1a5u n ALA 4587Cb 0.34 -1.08 0.01 0.00 0.00 0.00 0.00 19.45 18.72 1a5u n ALA 4587CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1a5u s MET 4588N -2.00 3.26 -1.21 0.00 -1.94 -0.65 -4.95 119.30 111.80 1a5u s MET 4588Ca 0.08 0.09 -0.04 0.00 -1.71 0.00 0.00 55.69 54.10 1a5u s MET 4588Cb 0.03 -2.34 0.20 0.00 2.01 0.00 0.00 34.83 34.74 1a5u s MET 4588CO 0.06 -0.43 2.15 0.34 -0.01 0.00 0.00 175.02 177.13 1a5u n PHE 4589N -2.40 2.66 -0.35 -0.03 7.35 -1.26 -4.82 117.46 118.61 1a5u n PHE 4589Ca 0.02 -2.72 0.10 0.00 -0.76 0.00 0.00 57.45 54.10 1a5u n PHE 4589Cb 0.56 -1.60 0.21 0.00 0.35 0.00 0.00 39.48 39.01 1a5u n PHE 4589CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 1a5u n HIS 4590N 1.14 0.49 0.02 -5.13 8.25 -1.26 -1.22 115.22 117.51 1a5u n HIS 4590Ca 0.55 1.21 -0.10 0.00 -0.26 0.00 0.00 57.72 59.12 1a5u n HIS 4590Cb 0.26 -1.16 -0.04 0.00 1.12 0.00 0.00 29.99 30.16 1a5u n HIS 4590CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1a5u h ARG 4591N 0.00 -0.12 -0.13 -0.41 1.12 -1.88 0.22 114.38 113.18 1a5u h ARG 4591Ca 0.54 0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 59.39 1a5u h ARG 4591Cb 0.98 0.03 -0.00 0.00 -0.01 0.00 0.00 29.97 30.96 1a5u h ARG 4591CO -0.98 -0.08 -0.01 -0.22 -3.11 0.00 0.00 179.97 175.57 1a5u h LYS 4592N -0.12 0.24 -0.31 0.20 1.63 -1.58 -2.75 116.57 113.88 1a5u h LYS 4592Ca 0.06 -0.08 0.04 0.00 -0.85 0.00 0.00 60.65 59.82 1a5u h LYS 4592Cb 0.21 -0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 31.76 1a5u h LYS 4592CO -0.15 0.50 -0.45 1.25 -3.45 0.00 0.00 179.45 177.14 1a5u h LEU 4593N -0.04 -1.51 -0.31 5.20 5.85 -0.86 0.10 115.31 123.74 1a5u h LEU 4593Ca 0.04 0.20 0.05 0.00 0.84 0.00 0.00 57.88 59.00 1a5u h LEU 4593Cb 0.39 0.61 -0.08 0.00 0.37 0.00 0.00 40.66 41.96 1a5u h LEU 4593CO 0.01 -0.34 -0.49 0.15 -0.34 0.00 0.00 178.44 177.43 1a5u h PHE 4594N -0.34 -1.45 -0.86 1.25 3.57 -0.59 0.19 116.94 118.72 1a5u h PHE 4594Ca 0.06 0.07 0.16 0.00 3.53 0.00 0.00 57.97 61.78 1a5u h PHE 4594Cb 0.49 0.68 -0.10 0.00 2.79 0.00 0.00 35.95 39.81 1a5u h PHE 4594CO -0.69 -0.48 0.43 0.93 -2.23 0.00 0.00 178.31 176.26 1a5u h GLU 4595N -0.43 0.57 0.00 1.11 5.08 -1.14 -0.62 114.58 119.14 1a5u h GLU 4595Ca 0.09 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 1a5u h GLU 4595Cb 0.62 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1a5u h GLU 4595CO -0.53 0.37 -0.44 0.93 -1.00 0.00 0.00 179.01 178.34 1a5u h GLU 4596N 0.58 0.00 -0.05 2.33 5.08 0.13 -2.61 114.58 120.03 1a5u h GLU 4596Ca 0.48 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.60 1a5u h GLU 4596Cb 0.73 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.99 1a5u h GLU 4596CO -0.39 0.44 -0.93 -0.07 -1.00 0.00 0.00 179.01 177.06 1a5u h LEU 4597N 0.00 0.86 -0.98 1.33 4.07 0.64 -2.68 115.31 118.55 1a5u h LEU 4597Ca -0.00 -0.64 -0.10 0.00 0.08 0.00 0.00 57.88 57.21 1a5u h LEU 4597Cb 0.95 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.42 1a5u h LEU 4597CO 0.06 1.44 -0.50 0.00 -1.08 0.00 0.00 178.44 178.36 1a5u h ALA 4598N 0.52 1.13 -0.43 1.53 0.00 -1.09 -0.60 119.26 120.33 1a5u h ALA 4598Ca -0.09 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.22 1a5u h ALA 4598Cb 1.57 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1a5u h ALA 4598CO 0.18 0.62 -0.27 -0.09 0.00 0.00 0.00 179.25 179.69 1a5u h ARG 4599N 0.00 0.94 0.00 0.00 9.65 -1.48 -0.36 114.38 123.13 1a5u h ARG 4599Ca -0.00 -0.44 -0.09 0.00 -1.10 0.00 0.00 59.98 58.35 1a5u h ARG 4599Cb 0.90 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.46 1a5u h ARG 4599CO 0.06 1.10 -0.42 0.66 2.80 0.00 0.00 179.97 184.18 1a5u h SER 4600N 0.77 0.00 0.56 -3.80 4.64 -1.14 -3.03 113.55 111.55 1a5u h SER 4600Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1a5u h SER 4600Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1a5u h SER 4600CO 0.08 0.42 -0.42 -0.24 -0.87 0.00 0.00 176.83 175.79 1a5u n SER 4601N -3.31 0.44 -0.27 4.97 2.88 -0.26 -4.55 113.62 113.53 1a5u n SER 4601Ca 0.01 -0.17 0.16 0.00 -1.33 0.00 0.00 58.87 57.55 1a5u n SER 4601Cb 0.63 0.14 0.31 0.00 -0.75 0.00 0.00 64.21 64.54 1a5u n SER 4601CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1a5u n SER 4602N -1.47 0.03 0.26 -3.46 3.41 -0.16 -0.42 113.62 111.81 1a5u n SER 4602Ca 0.06 1.33 0.08 0.00 -0.26 0.00 0.00 58.87 60.08 1a5u n SER 4602Cb 0.34 -0.54 0.64 0.00 -0.26 0.00 0.00 64.21 64.38 1a5u n SER 4602CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1a5u h HIS 4603N 0.00 0.00 -3.42 7.33 3.86 -1.82 -3.43 115.15 117.67 1a5u h HIS 4603Ca 0.54 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 59.21 1a5u h HIS 4603Cb 1.25 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.69 1a5u h HIS 4603CO -0.27 0.01 0.00 0.45 0.86 0.00 0.00 177.93 178.98 1a5u s SER 4604N -7.05 6.95 0.00 2.45 0.15 0.44 -4.96 113.70 111.68 1a5u s SER 4604Ca -0.05 1.24 0.00 0.00 0.70 0.00 0.00 55.95 57.84 1a5u s SER 4604Cb 0.17 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 1a5u s SER 4604CO 0.67 0.09 0.79 0.35 1.20 0.00 0.00 173.24 176.34 1a5u n THR 4605N 0.87 0.61 -1.47 6.45 -2.24 -1.26 -5.03 114.28 112.21 1a5u n THR 4605Ca -0.05 -0.76 -0.50 0.00 -2.27 0.00 0.00 64.05 60.48 1a5u n THR 4605Cb 0.51 0.73 -0.04 0.00 -2.10 0.00 0.00 70.33 69.43 1a5u n THR 4605CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1a5u n ASP 4606N -0.31 -0.25 0.13 3.42 -0.08 -1.26 -4.79 116.55 113.41 1a5u n ASP 4606Ca 0.00 1.14 -0.02 0.00 -1.51 0.00 0.00 54.79 54.40 1a5u n ASP 4606Cb 0.19 -1.04 0.15 0.00 2.34 0.00 0.00 41.12 42.77 1a5u n ASP 4606CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1a5u h LEU 4607N 1.88 0.03 0.00 -2.67 3.38 -1.98 -1.41 115.31 114.53 1a5u h LEU 4607Ca -0.36 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 1a5u h LEU 4607Cb 1.41 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 1a5u h LEU 4607CO 0.61 0.66 -0.40 -0.03 0.09 0.00 0.00 178.44 179.37 1a5u h MET 4608N 0.02 0.00 0.21 1.13 4.05 -1.93 -1.97 114.93 116.43 1a5u h MET 4608Ca -0.01 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 1a5u h MET 4608Cb 1.13 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.94 1a5u h MET 4608CO 0.08 0.11 -0.10 0.93 0.23 0.00 0.00 176.91 178.16 1a5u h GLU 4609N 0.00 -0.27 -0.83 0.39 5.08 -1.87 -0.37 114.58 116.70 1a5u h GLU 4609Ca -0.01 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.49 1a5u h GLU 4609Cb 1.11 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 30.33 1a5u h GLU 4609CO 0.01 0.08 0.44 0.00 -1.00 0.00 0.00 179.01 178.54 1a5u h ALA 4610N -0.01 1.21 -0.34 3.43 0.00 -1.23 -0.87 119.26 121.46 1a5u h ALA 4610Ca -0.03 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1a5u h ALA 4610Cb 0.48 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1a5u h ALA 4610CO 0.05 -0.03 -0.34 0.52 0.00 0.00 0.00 179.25 179.44 1a5u h MET 4611N 0.67 0.75 0.84 0.00 2.86 -1.29 -2.36 114.93 116.40 1a5u h MET 4611Ca 0.43 -0.36 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 1a5u h MET 4611Cb 0.54 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.20 1a5u h MET 4611CO -0.32 0.98 -0.40 0.00 1.06 0.00 0.00 176.91 178.23 1a5u h ALA 4612N 0.98 -1.13 -0.70 6.32 0.00 0.06 -1.61 119.26 123.17 1a5u h ALA 4612Ca 0.06 -0.25 0.14 0.00 0.00 0.00 0.00 54.91 54.87 1a5u h ALA 4612Cb 0.88 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 19.00 1a5u h ALA 4612CO 0.08 -1.06 0.19 0.52 0.00 0.00 0.00 179.25 178.97 1a5u h MET 4613N -1.28 0.29 -0.41 0.00 2.86 -1.30 0.30 114.93 115.39 1a5u h MET 4613Ca -0.12 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 1a5u h MET 4613Cb 0.87 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.44 1a5u h MET 4613CO 0.19 0.19 0.11 0.78 1.06 0.00 0.00 176.91 179.24 1a5u h GLY 4614N 0.30 0.65 0.90 8.32 0.00 -1.42 -1.39 103.07 110.43 1a5u h GLY 4614Ca 0.39 -0.34 -0.15 0.00 0.00 0.00 0.00 47.33 47.22 1a5u h GLY 4614CO -0.46 0.32 -0.54 1.76 0.00 0.00 0.00 176.54 177.62 1a5u h SER 4615N 0.59 0.64 0.89 0.19 0.02 0.40 -0.91 113.55 115.39 1a5u h SER 4615Ca 0.14 -0.65 -0.04 0.00 -0.84 0.00 0.00 61.79 60.40 1a5u h SER 4615Cb 0.22 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.57 1a5u h SER 4615CO -0.00 1.19 -0.46 0.58 -1.14 0.00 0.00 176.83 177.00 1a5u h VAL 4616N 0.15 0.00 -0.78 2.27 2.07 -0.55 0.38 116.25 119.78 1a5u h VAL 4616Ca -0.04 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.62 1a5u h VAL 4616Cb 1.18 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.81 1a5u h VAL 4616CO 0.11 0.00 -0.32 -0.08 0.02 0.00 0.00 177.57 177.30 1a5u h GLU 4617N -1.23 -0.07 -0.38 1.57 4.57 -1.32 0.77 114.58 118.49 1a5u h GLU 4617Ca -0.12 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.05 1a5u h GLU 4617Cb 0.95 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.54 1a5u h GLU 4617CO 0.18 -0.05 0.17 0.00 -1.18 0.00 0.00 179.01 178.13 1a5u h ALA 4618N 1.32 1.57 -0.36 2.92 0.00 -1.03 -0.39 119.26 123.28 1a5u h ALA 4618Ca 0.31 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1a5u h ALA 4618Cb 0.58 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1a5u h ALA 4618CO -0.83 0.34 0.19 0.66 0.00 0.00 0.00 179.25 179.61 1a5u h SER 4619N 0.54 0.47 -0.00 0.00 4.64 0.28 -2.18 113.55 117.29 1a5u h SER 4619Ca 0.13 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1a5u h SER 4619Cb 0.09 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1a5u h SER 4619CO -0.02 0.44 0.00 1.88 -0.87 0.00 0.00 176.83 178.26 1a5u h TYR 4620N 0.46 0.01 -0.53 4.77 0.05 -0.83 0.23 116.97 121.12 1a5u h TYR 4620Ca 0.13 -0.00 0.11 0.00 0.05 0.00 0.00 58.73 59.01 1a5u h TYR 4620Cb 0.09 -0.00 -0.09 0.00 1.01 0.00 0.00 36.73 37.73 1a5u h TYR 4620CO -0.02 0.06 -0.02 -0.22 -1.05 0.00 0.00 178.16 176.90 1a5u h LYS 4621N -0.05 0.09 -0.26 4.88 1.63 -0.83 -2.68 116.57 119.36 1a5u h LYS 4621Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1a5u h LYS 4621Cb 0.05 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 1a5u h LYS 4621CO -0.00 0.06 0.00 0.00 -3.45 0.00 0.00 179.45 176.06 1a5u n LEU 4623N -0.50 -1.05 -4.77 0.00 4.77 0.67 -4.87 117.00 111.25 1a5u n LEU 4623Ca 0.21 -1.22 -0.40 0.00 -0.03 0.00 0.00 56.01 54.57 1a5u n LEU 4623Cb 0.87 -1.80 0.01 0.00 -2.33 0.00 0.00 43.42 40.17 1a5u n LEU 4623CO 0.15 0.63 1.05 0.00 -1.33 0.00 0.00 177.39 177.89 1a5u s ALA 4624N -3.80 3.32 0.32 -1.18 0.00 -0.37 -4.87 121.76 115.17 1a5u s ALA 4624Ca 0.30 1.42 0.20 0.00 0.00 0.00 0.00 51.96 53.88 1a5u s ALA 4624Cb -0.15 -3.56 0.97 0.00 0.00 0.00 0.00 23.12 20.38 1a5u s ALA 4624CO 0.95 -1.05 1.89 0.00 0.00 0.00 0.00 175.76 177.55 1a5u h ALA 4625N 2.59 1.23 -1.69 0.00 0.00 -0.23 -3.43 119.26 117.73 1a5u h ALA 4625Ca -0.50 -0.25 0.25 0.00 0.00 0.00 0.00 54.91 54.41 1a5u h ALA 4625Cb 1.25 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.86 1a5u h ALA 4625CO 0.62 0.34 0.73 0.00 0.00 0.00 0.00 179.25 180.95 1a5u s ALA 4626N -4.01 -2.05 -0.19 0.00 0.00 -1.26 -4.07 121.76 110.18 1a5u s ALA 4626Ca -0.02 0.96 -0.03 0.00 0.00 0.00 0.00 51.96 52.88 1a5u s ALA 4626Cb 0.13 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.48 1a5u s ALA 4626CO 0.66 -0.85 -0.06 -0.51 0.00 0.00 0.00 175.76 175.00 1a5u s LEU 4627N -2.64 2.90 -0.24 0.00 1.02 -0.53 -0.34 118.68 118.85 1a5u s LEU 4627Ca 0.11 -0.35 -0.08 0.00 0.02 0.00 0.00 54.13 53.84 1a5u s LEU 4627Cb 0.01 -1.72 -0.03 0.00 0.02 0.00 0.00 46.19 44.47 1a5u s LEU 4627CO -0.04 0.04 0.08 -0.63 0.02 0.00 0.00 176.35 175.83 1a5u s ILE 4628N 1.11 4.53 -0.09 -0.59 1.01 0.33 -0.35 121.20 127.16 1a5u s ILE 4628Ca 0.01 -0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.59 1a5u s ILE 4628Cb -0.15 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.22 1a5u s ILE 4628CO -0.01 0.35 -0.20 -0.69 0.00 0.00 0.00 174.94 174.40 1a5u s VAL 4629N 1.37 1.71 -0.30 2.92 1.01 -0.60 -0.21 120.40 126.30 1a5u s VAL 4629Ca 0.05 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 61.03 1a5u s VAL 4629Cb -0.15 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 1a5u s VAL 4629CO 0.04 0.48 0.55 -0.76 0.00 0.00 0.00 175.10 175.42 1a5u s LEU 4630N 0.45 4.16 0.06 3.92 1.43 -0.77 -2.09 118.68 125.85 1a5u s LEU 4630Ca -0.17 0.33 -0.10 0.00 -1.03 0.00 0.00 54.13 53.16 1a5u s LEU 4630Cb -0.17 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.36 1a5u s LEU 4630CO 0.07 -0.41 0.21 0.28 0.23 0.00 0.00 176.35 176.73 1a5u s THR 4631N 2.44 0.12 0.00 5.49 -1.32 -0.99 -4.82 115.64 116.57 1a5u s THR 4631Ca 0.22 -0.99 0.00 0.00 -1.21 0.00 0.00 61.69 59.70 1a5u s THR 4631Cb -0.15 -1.10 0.00 0.00 -1.51 0.00 0.00 72.50 69.73 1a5u s THR 4631CO 0.11 -0.55 0.00 -0.62 -2.21 0.00 0.00 174.62 171.35 1a5u n GLU 4632N 0.34 1.26 0.02 7.08 -0.58 -1.26 -4.19 120.64 123.30 1a5u n GLU 4632Ca -0.17 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.68 1a5u n GLU 4632Cb 0.61 -0.99 0.05 0.00 -0.57 0.00 0.00 31.44 30.54 1a5u n GLU 4632CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1a5u n SER 4633N -2.31 0.64 0.00 1.62 3.41 -1.26 -4.58 113.62 111.14 1a5u n SER 4633Ca 0.00 -0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 1a5u n SER 4633Cb 0.49 0.70 0.00 0.00 -0.26 0.00 0.00 64.21 65.14 1a5u n SER 4633CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a5u n GLY 4634N 1.41 1.50 0.24 5.00 0.00 -1.26 -4.93 105.19 107.15 1a5u n GLY 4634Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1a5u n GLY 4634CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1a5u h ARG 4635N 2.87 -0.27 -0.71 1.61 3.08 -1.96 -1.33 114.38 117.66 1a5u h ARG 4635Ca 0.00 0.02 0.16 0.00 0.07 0.00 0.00 59.98 60.23 1a5u h ARG 4635Cb 0.00 0.06 -0.12 0.00 0.08 0.00 0.00 29.97 29.99 1a5u h ARG 4635CO 0.00 -0.18 -0.01 0.77 -1.07 0.00 0.00 179.97 179.48 1a5u h SER 4636N -0.28 -0.35 0.13 7.04 0.02 -1.92 -1.83 113.55 116.36 1a5u h SER 4636Ca 0.09 0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 1a5u h SER 4636Cb 0.40 0.33 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1a5u h SER 4636CO -0.25 -0.17 -0.06 0.00 -1.14 0.00 0.00 176.83 175.21 1a5u h ALA 4637N 1.67 -0.17 -0.35 3.77 0.00 -1.84 -2.47 119.26 119.87 1a5u h ALA 4637Ca 0.38 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.31 1a5u h ALA 4637Cb 0.65 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1a5u h ALA 4637CO -0.63 -0.54 0.37 0.45 0.00 0.00 0.00 179.25 178.90 1a5u h HIS 4638N -0.29 0.00 -0.05 0.00 -0.00 -0.48 0.99 115.15 115.32 1a5u h HIS 4638Ca -0.02 0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.28 1a5u h HIS 4638Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.64 1a5u h HIS 4638CO -0.03 0.00 -0.23 1.96 -0.00 0.00 0.00 177.93 179.62 1a5u h GLN 4639N 0.00 0.25 0.07 2.45 1.08 -0.99 -2.14 115.11 115.84 1a5u h GLN 4639Ca 0.17 -0.20 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1a5u h GLN 4639Cb 0.90 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.37 1a5u h GLN 4639CO -0.00 0.84 -0.03 0.28 -0.95 0.00 0.00 178.83 178.97 1a5u h VAL 4640N -0.28 0.95 -0.82 -0.54 2.07 -0.65 -2.95 116.25 114.04 1a5u h VAL 4640Ca -0.01 -0.07 0.13 0.00 0.82 0.00 0.00 66.70 67.57 1a5u h VAL 4640Cb 0.88 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 1a5u h VAL 4640CO 0.05 0.02 0.54 0.00 0.02 0.00 0.00 177.57 178.19 1a5u h ALA 4641N 0.81 1.91 0.00 1.67 0.00 -0.89 -1.02 119.26 121.74 1a5u h ALA 4641Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1a5u h ALA 4641Cb 0.10 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1a5u h ALA 4641CO 0.02 -0.12 -0.01 0.07 0.00 0.00 0.00 179.25 179.21 1a5u h ARG 4642N 0.61 0.00 -0.08 0.00 0.11 -1.20 -2.14 114.38 111.69 1a5u h ARG 4642Ca 0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.48 1a5u h ARG 4642Cb 0.69 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.77 1a5u h ARG 4642CO -0.16 0.01 0.00 0.66 0.10 0.00 0.00 179.97 180.58 1a5u n TYR 4643N -3.12 0.09 -3.48 4.08 4.01 -0.39 -4.99 117.16 113.36 1a5u n TYR 4643Ca -0.01 -0.04 -0.24 0.00 -0.16 0.00 0.00 57.90 57.45 1a5u n TYR 4643Cb 0.23 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.31 1a5u n TYR 4643CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1a5u n ARG 4644N 0.16 -1.73 -0.95 -0.72 5.12 -0.80 -4.72 116.66 113.02 1a5u n ARG 4644Ca 0.18 0.65 -0.29 0.00 -1.93 0.00 0.00 57.85 56.46 1a5u n ARG 4644Cb 0.33 -4.92 0.19 0.00 -1.16 0.00 0.00 32.46 26.90 1a5u n ARG 4644CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1a5u s PRO 4645N -5.25 0.29 -0.08 5.56 0.04 -1.26 -4.93 135.00 129.37 1a5u s PRO 4645Ca 0.47 0.79 -0.08 0.00 0.04 0.00 0.00 61.00 62.22 1a5u s PRO 4645Cb -0.12 -1.70 -0.28 0.00 0.04 0.00 0.00 34.50 32.44 1a5u s PRO 4645CO 0.81 -2.90 0.54 -0.09 0.04 0.00 0.00 177.00 175.40 1a5u h ARG 4646N -2.02 0.32 -7.20 4.56 2.43 -1.94 -3.47 114.38 107.06 1a5u h ARG 4646Ca -0.54 -0.54 -0.49 0.00 -0.81 0.00 0.00 59.98 57.59 1a5u h ARG 4646Cb 1.31 0.20 0.06 0.00 -0.42 0.00 0.00 29.97 31.13 1a5u h ARG 4646CO 0.53 1.24 0.38 0.00 -1.51 0.00 0.00 179.97 180.61 1a5u s ALA 4647N -2.57 2.74 0.26 2.80 0.00 -1.26 -5.01 121.76 118.72 1a5u s ALA 4647Ca -0.18 0.37 -0.30 0.00 0.00 0.00 0.00 51.96 51.85 1a5u s ALA 4647Cb 0.06 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.86 1a5u s ALA 4647CO 0.82 -0.82 1.29 -1.25 0.00 0.00 0.00 175.76 175.79 1a5u s PRO 4648N -4.13 4.40 -0.45 0.00 0.04 -1.26 -4.76 135.00 128.84 1a5u s PRO 4648Ca 0.63 2.09 -0.17 0.00 0.04 0.00 0.00 61.00 63.59 1a5u s PRO 4648Cb -0.16 -3.15 0.04 0.00 0.04 0.00 0.00 34.50 31.28 1a5u s PRO 4648CO 0.38 -0.18 0.45 0.42 0.04 0.00 0.00 177.00 178.11 1a5u s ILE 4649N -0.48 5.11 -0.58 0.56 1.01 -0.31 -1.46 121.20 125.06 1a5u s ILE 4649Ca 0.53 -0.64 -0.21 0.00 0.00 0.00 0.00 60.65 60.32 1a5u s ILE 4649Cb -0.37 -4.11 0.07 0.00 0.01 0.00 0.00 42.46 38.06 1a5u s ILE 4649CO 0.44 -0.54 0.82 -0.63 0.00 0.00 0.00 174.94 175.03 1a5u s ILE 4650N 2.03 4.58 -0.47 2.92 1.01 0.53 0.65 121.20 132.45 1a5u s ILE 4650Ca 0.09 -0.36 -0.17 0.00 0.00 0.00 0.00 60.65 60.21 1a5u s ILE 4650Cb -0.20 -4.51 0.05 0.00 0.01 0.00 0.00 42.46 37.81 1a5u s ILE 4650CO 0.11 -1.14 0.47 0.00 0.00 0.00 0.00 174.94 174.37 1a5u s ALA 4651N 3.40 3.47 -0.21 9.38 0.00 -0.44 -1.56 121.76 135.80 1a5u s ALA 4651Ca 0.20 -1.83 -0.24 0.00 0.00 0.00 0.00 51.96 50.10 1a5u s ALA 4651Cb -0.18 -3.14 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 1a5u s ALA 4651CO 0.12 -1.76 0.77 0.08 0.00 0.00 0.00 175.76 174.97 1a5u s VAL 4652N 2.06 4.90 0.09 0.00 1.01 -0.89 0.16 120.40 127.73 1a5u s VAL 4652Ca 0.09 1.47 -0.04 0.00 0.00 0.00 0.00 61.98 63.50 1a5u s VAL 4652Cb -0.21 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 1a5u s VAL 4652CO 0.10 0.00 0.09 0.28 0.00 0.00 0.00 175.10 175.57 1a5u s THR 4653N 2.42 0.15 -1.15 3.92 -1.32 0.38 -2.34 115.64 117.70 1a5u s THR 4653Ca 0.34 -1.62 0.16 0.00 -1.21 0.00 0.00 61.69 59.36 1a5u s THR 4653Cb -0.16 -1.63 -0.08 0.00 -1.51 0.00 0.00 72.50 69.12 1a5u s THR 4653CO 0.10 -0.70 0.77 0.54 -2.21 0.00 0.00 174.62 173.11 1a5u n ARG 4654N -0.02 1.78 -3.33 7.08 1.74 -1.26 0.51 116.66 123.15 1a5u n ARG 4654Ca -0.11 -0.45 -0.43 0.00 -0.77 0.00 0.00 57.85 56.09 1a5u n ARG 4654Cb 0.62 -1.26 -0.09 0.00 -1.02 0.00 0.00 32.46 30.72 1a5u n ARG 4654CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1a5u s ASN 4655N -2.16 6.18 0.13 0.55 3.84 -1.26 -4.89 114.94 117.33 1a5u s ASN 4655Ca 0.10 -0.77 -0.19 0.00 0.21 0.00 0.00 52.86 52.21 1a5u s ASN 4655Cb 0.12 -2.22 -0.03 0.00 -0.55 0.00 0.00 41.25 38.57 1a5u s ASN 4655CO 0.51 -0.59 1.76 0.45 -2.79 0.00 0.00 177.10 176.45 1a5u h HIS 4656N 8.73 0.20 -0.93 0.43 3.86 -1.94 -2.57 115.15 122.94 1a5u h HIS 4656Ca -0.27 0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.07 1a5u h HIS 4656Cb 1.11 -0.06 -0.08 0.00 1.06 0.00 0.00 27.41 29.44 1a5u h HIS 4656CO 0.62 0.11 0.55 0.37 0.86 0.00 0.00 177.93 180.44 1a5u h GLN 4657N 0.23 0.84 -0.08 2.45 4.15 -1.97 -0.08 115.11 120.65 1a5u h GLN 4657Ca 0.10 -0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.50 1a5u h GLN 4657Cb 0.03 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.50 1a5u h GLN 4657CO -0.07 0.56 -0.11 1.15 -1.93 0.00 0.00 178.83 178.43 1a5u h THR 4658N 0.87 0.71 -0.20 2.39 2.02 -1.76 0.24 112.91 117.17 1a5u h THR 4658Ca 0.47 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.70 1a5u h THR 4658Cb 0.50 0.71 -0.07 0.00 -1.74 0.00 0.00 68.15 67.55 1a5u h THR 4658CO -0.28 0.00 -0.30 0.00 0.37 0.00 0.00 175.52 175.30 1a5u h ALA 4659N 0.91 -0.29 -0.17 6.16 0.00 -0.88 0.11 119.26 125.10 1a5u h ALA 4659Ca 0.07 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1a5u h ALA 4659Cb 0.24 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1a5u h ALA 4659CO -0.17 -0.76 0.07 0.00 0.00 0.00 0.00 179.25 178.40 1a5u h ARG 4660N -0.34 0.25 -0.00 0.00 3.08 -0.73 -2.87 114.38 113.77 1a5u h ARG 4660Ca 0.12 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1a5u h ARG 4660Cb 0.53 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 1a5u h ARG 4660CO -0.39 0.31 0.01 1.96 -1.07 0.00 0.00 179.97 180.79 1a5u h GLN 4661N 0.13 0.00 -0.03 0.04 4.20 0.03 -2.93 115.11 116.55 1a5u h GLN 4661Ca 0.06 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 1a5u h GLN 4661Cb 0.15 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1a5u h GLN 4661CO -0.01 0.00 -0.16 0.00 -0.67 0.00 0.00 178.83 178.00 1a5u h ALA 4662N 1.99 1.69 0.00 3.87 0.00 -0.56 -2.82 119.26 123.42 1a5u h ALA 4662Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1a5u h ALA 4662Cb 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1a5u h ALA 4662CO -0.00 0.24 0.11 0.72 0.00 0.00 0.00 179.25 180.32 1a5u n HIS 4663N -4.33 0.57 0.20 0.00 8.25 -1.11 -0.67 115.22 118.13 1a5u n HIS 4663Ca -0.02 0.30 0.07 0.00 -0.26 0.00 0.00 57.72 57.81 1a5u n HIS 4663Cb 0.24 -0.90 0.33 0.00 1.12 0.00 0.00 29.99 30.78 1a5u n HIS 4663CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1a5u h LEU 4664N 0.00 0.00 -9.13 2.41 5.85 -1.73 -3.41 115.31 109.30 1a5u h LEU 4664Ca 0.00 0.00 -0.61 0.00 0.84 0.00 0.00 57.88 58.11 1a5u h LEU 4664Cb 0.22 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 41.11 1a5u h LEU 4664CO 0.00 0.31 -0.53 -0.31 -0.34 0.00 0.00 178.44 177.58 1a5u s TYR 4665N -3.48 3.31 0.12 1.25 1.51 0.15 -4.58 117.35 115.63 1a5u s TYR 4665Ca 0.01 0.16 -0.35 0.00 -1.01 0.00 0.00 57.07 55.88 1a5u s TYR 4665Cb 0.10 -2.16 -0.16 0.00 -0.11 0.00 0.00 41.96 39.63 1a5u s TYR 4665CO 0.67 0.15 1.27 -2.13 -1.11 0.00 0.00 175.55 174.41 1a5u n ARG 4666N 3.77 1.15 -1.46 -0.62 3.00 -1.26 -2.12 116.66 119.12 1a5u n ARG 4666Ca -0.16 0.41 -0.16 0.00 -0.00 0.00 0.00 57.85 57.95 1a5u n ARG 4666Cb 0.52 -2.00 -0.07 0.00 0.00 0.00 0.00 32.46 30.91 1a5u n ARG 4666CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1a5u n GLY 4667N 2.33 1.53 3.55 5.14 0.00 -0.42 -4.73 105.19 112.59 1a5u n GLY 4667Ca 0.17 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1a5u n GLY 4667CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a5u s ILE 4668N -2.41 5.18 -0.50 -0.61 1.01 -0.90 -1.16 121.20 121.80 1a5u s ILE 4668Ca 0.00 0.04 -0.12 0.00 0.00 0.00 0.00 60.65 60.57 1a5u s ILE 4668Cb 0.00 -3.81 0.12 0.00 0.01 0.00 0.00 42.46 38.79 1a5u s ILE 4668CO 0.00 -0.07 0.41 -0.36 0.00 0.00 0.00 174.94 174.92 1a5u s PHE 4669N 1.99 3.34 0.17 3.97 0.08 0.21 -4.51 117.98 123.23 1a5u s PHE 4669Ca 0.11 -1.58 -0.31 0.00 0.12 0.00 0.00 56.93 55.28 1a5u s PHE 4669Cb -0.17 -3.61 -0.09 0.00 -0.57 0.00 0.00 43.02 38.59 1a5u s PHE 4669CO 0.11 -1.00 1.37 -1.25 -0.10 0.00 0.00 175.22 174.36 1a5u s PRO 4670N 1.48 4.34 -0.17 0.24 0.04 -1.26 -1.33 135.00 138.34 1a5u s PRO 4670Ca 0.04 2.10 -0.00 0.00 0.04 0.00 0.00 61.00 63.18 1a5u s PRO 4670Cb -0.28 -3.20 0.04 0.00 0.04 0.00 0.00 34.50 31.10 1a5u s PRO 4670CO 0.01 -0.36 -0.07 0.08 0.04 0.00 0.00 177.00 176.70 1a5u s VAL 4671N 0.54 1.25 -0.15 -0.36 1.01 0.42 -4.60 120.40 118.50 1a5u s VAL 4671Ca 0.61 -0.68 -0.28 0.00 0.00 0.00 0.00 61.98 61.63 1a5u s VAL 4671Cb -0.37 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 1a5u s VAL 4671CO 0.35 0.18 0.94 -0.69 0.00 0.00 0.00 175.10 175.89 1a5u s VAL 4672N 1.58 4.81 -0.35 2.92 1.01 -1.26 -0.47 120.40 128.64 1a5u s VAL 4672Ca 0.01 1.88 -0.13 0.00 0.00 0.00 0.00 61.98 63.74 1a5u s VAL 4672Cb -0.15 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 1a5u s VAL 4672CO -0.08 -0.02 0.23 0.00 0.00 0.00 0.00 175.10 175.24 1a5u n LYS 4674N 5.09 0.16 -0.98 0.00 5.02 -1.26 -4.50 118.16 121.68 1a5u n LYS 4674Ca -0.13 0.01 -0.29 0.00 -2.02 0.00 0.00 58.31 55.88 1a5u n LYS 4674Cb 0.49 -1.57 0.17 0.00 -0.02 0.00 0.00 35.03 34.11 1a5u n LYS 4674CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a5u s ASP 4675N -3.56 2.70 0.32 4.39 1.11 -1.26 -5.02 116.67 115.35 1a5u s ASP 4675Ca 0.07 1.55 0.05 0.00 0.18 0.00 0.00 52.55 54.40 1a5u s ASP 4675Cb 0.15 -2.21 -0.02 0.00 1.07 0.00 0.00 42.92 41.91 1a5u s ASP 4675CO 0.76 -3.14 0.47 -2.16 1.18 0.00 0.00 175.17 172.28 1a5u s PRO 4676N -4.79 3.25 -0.03 8.23 0.04 -1.26 -5.04 135.00 135.41 1a5u s PRO 4676Ca 0.65 -0.79 -0.30 0.00 0.04 0.00 0.00 61.00 60.60 1a5u s PRO 4676Cb -0.20 -2.79 -0.07 0.00 0.04 0.00 0.00 34.50 31.48 1a5u s PRO 4676CO 0.59 0.14 1.75 0.08 0.04 0.00 0.00 177.00 179.60 1a5u s VAL 4677N -2.18 3.41 0.49 -0.36 1.01 -1.26 -4.97 120.40 116.54 1a5u s VAL 4677Ca 0.41 0.50 -0.22 0.00 0.00 0.00 0.00 61.98 62.67 1a5u s VAL 4677Cb -0.09 -3.32 -0.06 0.00 0.00 0.00 0.00 36.38 32.90 1a5u s VAL 4677CO 0.32 -0.04 1.23 -1.10 0.00 0.00 0.00 175.10 175.51 1a5u s GLN 4678N 4.16 3.54 0.47 2.72 -1.52 -1.26 -4.91 119.66 122.86 1a5u s GLN 4678Ca 0.78 1.93 0.31 0.00 -1.95 0.00 0.00 55.36 56.43 1a5u s GLN 4678Cb -0.36 -2.35 1.31 0.00 -0.22 0.00 0.00 33.01 31.39 1a5u s GLN 4678CO 0.33 -0.78 1.92 1.05 -0.25 0.00 0.00 175.29 177.57 1a5u h GLU 4679N 1.83 0.00 -4.77 2.91 4.11 -1.98 -3.39 114.58 113.29 1a5u h GLU 4679Ca -0.50 0.00 -0.68 0.00 0.07 0.00 0.00 59.36 58.25 1a5u h GLU 4679Cb 1.27 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.24 1a5u h GLU 4679CO 0.59 0.00 -0.63 0.00 0.07 0.00 0.00 179.01 179.04 1a5u s ALA 4680N -3.59 3.01 0.26 1.06 0.00 -1.26 -4.97 121.76 116.26 1a5u s ALA 4680Ca 0.02 -1.57 -0.11 0.00 0.00 0.00 0.00 51.96 50.30 1a5u s ALA 4680Cb 0.09 -2.13 0.39 0.00 0.00 0.00 0.00 23.12 21.47 1a5u s ALA 4680CO 0.49 -1.07 1.57 2.35 0.00 0.00 0.00 175.76 179.10 1a5u h TRP 4681N 8.19 -0.62 -0.14 0.00 -0.00 -1.99 0.65 115.95 122.04 1a5u h TRP 4681Ca -0.28 0.09 0.05 0.00 -0.00 0.00 0.00 58.89 58.74 1a5u h TRP 4681Cb 1.11 0.42 -0.06 0.00 -0.00 0.00 0.00 29.16 30.63 1a5u h TRP 4681CO 0.60 -0.41 -0.21 0.00 -0.00 0.00 0.00 178.44 178.43 1a5u h ALA 4682N 1.83 -0.15 -0.44 2.65 0.00 -1.94 0.17 119.26 121.38 1a5u h ALA 4682Ca 0.43 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.45 1a5u h ALA 4682Cb 0.67 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1a5u h ALA 4682CO -0.97 -0.66 0.14 0.93 0.00 0.00 0.00 179.25 178.69 1a5u h GLU 4683N -0.25 0.29 -0.49 0.00 5.08 -0.33 0.61 114.58 119.48 1a5u h GLU 4683Ca 0.10 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1a5u h GLU 4683Cb 0.41 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1a5u h GLU 4683CO -0.29 0.19 0.25 0.22 -1.00 0.00 0.00 179.01 178.37 1a5u h ASP 4684N 0.30 0.35 0.26 1.42 3.58 0.64 -0.69 116.42 122.27 1a5u h ASP 4684Ca 0.21 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.68 1a5u h ASP 4684Cb 0.22 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.24 1a5u h ASP 4684CO -0.23 0.24 -0.12 0.58 -2.88 0.00 0.00 179.24 176.83 1a5u h VAL 4685N 0.48 0.76 0.00 2.25 2.07 0.10 -1.49 116.25 120.42 1a5u h VAL 4685Ca 0.22 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 1a5u h VAL 4685Cb 0.13 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1a5u h VAL 4685CO -0.15 0.14 -0.00 0.44 0.02 0.00 0.00 177.57 178.02 1a5u h ASP 4686N -0.75 0.00 0.14 0.57 3.32 0.29 0.61 116.42 120.61 1a5u h ASP 4686Ca -0.04 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.79 1a5u h ASP 4686Cb 0.50 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.07 1a5u h ASP 4686CO 0.06 0.00 -1.02 0.25 -1.72 0.00 0.00 179.24 176.81 1a5u h LEU 4687N 0.00 0.48 -0.16 1.55 5.85 -1.05 -0.64 115.31 121.34 1a5u h LEU 4687Ca -0.00 -0.93 -0.01 0.00 0.84 0.00 0.00 57.88 57.78 1a5u h LEU 4687Cb 0.06 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1a5u h LEU 4687CO 0.00 1.48 0.06 0.03 -0.34 0.00 0.00 178.44 179.66 1a5u h ARG 4688N -0.31 0.25 -0.61 1.25 3.08 -0.15 -1.40 114.38 116.49 1a5u h ARG 4688Ca -0.19 -0.05 0.10 0.00 0.07 0.00 0.00 59.98 59.91 1a5u h ARG 4688Cb 1.72 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 31.65 1a5u h ARG 4688CO 0.14 0.36 0.19 0.28 -1.07 0.00 0.00 179.97 179.87 1a5u h VAL 4689N 0.09 0.71 0.00 2.04 2.07 0.14 0.59 116.25 121.89 1a5u h VAL 4689Ca 0.05 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1a5u h VAL 4689Cb 0.21 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1a5u h VAL 4689CO -0.00 0.06 -0.03 -1.13 0.02 0.00 0.00 177.57 176.49 1a5u h ASN 4690N 0.34 0.00 0.52 0.57 -1.24 -0.82 -1.00 115.58 113.95 1a5u h ASN 4690Ca 0.31 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.30 1a5u h ASN 4690Cb 0.43 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.48 1a5u h ASN 4690CO -0.35 0.03 -0.25 0.25 -1.29 0.00 0.00 177.43 175.83 1a5u h LEU 4691N 0.00 -0.59 -1.25 0.34 5.85 0.25 -2.29 115.31 117.62 1a5u h LEU 4691Ca -0.00 -0.04 0.24 0.00 0.84 0.00 0.00 57.88 58.92 1a5u h LEU 4691Cb 0.07 0.15 -0.10 0.00 0.37 0.00 0.00 40.66 41.16 1a5u h LEU 4691CO 0.00 -0.31 0.64 0.00 -0.34 0.00 0.00 178.44 178.43 1a5u h ALA 4692N -0.44 2.04 0.13 1.25 0.00 -1.14 0.59 119.26 121.69 1a5u h ALA 4692Ca -0.07 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1a5u h ALA 4692Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1a5u h ALA 4692CO 0.12 -0.43 -0.06 1.98 0.00 0.00 0.00 179.25 180.85 1a5u h MET 4693N 0.51 -0.17 -0.23 0.00 1.85 -0.73 -1.47 114.93 114.68 1a5u h MET 4693Ca 0.58 0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.65 1a5u h MET 4693Cb 1.29 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 33.34 1a5u h MET 4693CO -0.33 -0.07 -0.00 -0.91 -0.40 0.00 0.00 176.91 175.20 1a5u h ASN 4694N -0.23 0.32 0.10 1.39 -0.26 -0.42 -2.08 115.58 114.40 1a5u h ASN 4694Ca -0.02 -0.05 -0.00 0.00 -0.56 0.00 0.00 56.30 55.67 1a5u h ASN 4694Cb 0.18 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.36 1a5u h ASN 4694CO 0.03 0.38 -0.05 0.58 -1.06 0.00 0.00 177.43 177.31 1a5u h VAL 4695N 0.34 1.10 -0.10 2.81 2.07 -0.85 -0.77 116.25 120.85 1a5u h VAL 4695Ca 0.08 -0.77 -0.09 0.00 0.82 0.00 0.00 66.70 66.74 1a5u h VAL 4695Cb 0.24 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1a5u h VAL 4695CO 0.01 0.19 -0.33 1.23 0.02 0.00 0.00 177.57 178.68 1a5u h GLY 4696N -0.49 0.21 0.77 2.17 0.00 -1.07 -0.85 103.07 103.81 1a5u h GLY 4696Ca -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1a5u h GLY 4696CO 0.02 0.16 -0.06 0.50 0.00 0.00 0.00 176.54 177.16 1a5u h LYS 4697N 0.17 -0.16 -0.92 4.80 1.57 -1.40 1.56 116.57 122.19 1a5u h LYS 4697Ca 0.02 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.88 1a5u h LYS 4697Cb 0.67 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.96 1a5u h LYS 4697CO 0.05 0.09 0.60 0.00 -0.57 0.00 0.00 179.45 179.62 1a5u h ALA 4698N 0.45 1.49 -0.29 3.86 0.00 -0.83 -2.12 119.26 121.81 1a5u h ALA 4698Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1a5u h ALA 4698Cb 0.32 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1a5u h ALA 4698CO 0.03 0.37 0.00 0.54 0.00 0.00 0.00 179.25 180.19 1a5u n ARG 4699N -4.49 1.78 -1.86 0.00 1.74 -0.35 -4.90 116.66 108.59 1a5u n ARG 4699Ca 0.14 -1.20 -0.12 0.00 -0.77 0.00 0.00 57.85 55.90 1a5u n ARG 4699Cb 0.19 -1.31 -0.02 0.00 -1.02 0.00 0.00 32.46 30.30 1a5u n ARG 4699CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a5u n GLY 4700N 1.08 0.47 0.17 -0.13 0.00 -0.80 -4.86 105.19 101.12 1a5u n GLY 4700Ca 0.13 -0.43 0.05 0.00 0.00 0.00 0.00 46.02 45.77 1a5u n GLY 4700CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1a5u h PHE 4701N 0.00 0.00 -1.72 1.61 0.04 0.20 -3.45 116.94 113.63 1a5u h PHE 4701Ca -0.26 0.00 0.30 0.00 2.80 0.00 0.00 57.97 60.81 1a5u h PHE 4701Cb 1.02 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 39.07 1a5u h PHE 4701CO 0.32 0.40 0.79 -0.59 -0.60 0.00 0.00 178.31 178.62 1a5u s PHE 4702N -3.31 -0.03 0.09 -0.55 -0.12 -1.11 -4.86 117.98 108.09 1a5u s PHE 4702Ca 0.02 -0.11 0.01 0.00 -0.05 0.00 0.00 56.93 56.80 1a5u s PHE 4702Cb 0.09 0.57 -0.00 0.00 -0.63 0.00 0.00 43.02 43.05 1a5u s PHE 4702CO 0.70 -0.38 0.04 0.36 -0.05 0.00 0.00 175.22 175.90 1a5u n LYS 4703N -0.57 0.72 -1.92 1.99 2.85 -1.26 -3.98 118.16 115.99 1a5u n LYS 4703Ca -0.06 -0.81 -0.41 0.00 -1.05 0.00 0.00 58.31 55.98 1a5u n LYS 4703Cb 0.62 0.48 -0.01 0.00 -0.65 0.00 0.00 35.03 35.47 1a5u n LYS 4703CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1a5u s LYS 4704N -2.36 4.13 0.00 -1.58 1.02 -1.26 -2.53 119.74 117.17 1a5u s LYS 4704Ca 0.06 2.41 0.00 0.00 0.02 0.00 0.00 55.97 58.46 1a5u s LYS 4704Cb 0.00 -2.95 0.00 0.00 -0.52 0.00 0.00 37.83 34.36 1a5u s LYS 4704CO 0.04 -0.45 0.00 0.41 -0.92 0.00 0.00 175.35 174.43 1a5u n GLY 4705N 0.59 2.76 3.27 -3.33 0.00 0.69 -4.88 105.19 104.29 1a5u n GLY 4705Ca 0.01 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 1a5u n GLY 4705CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a5u n ASP 4706N 1.10 -3.44 -4.37 1.61 9.92 -1.05 -4.02 116.55 116.30 1a5u n ASP 4706Ca 0.00 0.31 -0.32 0.00 -0.53 0.00 0.00 54.79 54.25 1a5u n ASP 4706Cb 0.00 -1.04 -0.15 0.00 -0.64 0.00 0.00 41.12 39.29 1a5u n ASP 4706CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1a5u s VAL 4707N -2.20 2.48 0.18 2.53 -7.23 -1.26 0.25 120.40 115.14 1a5u s VAL 4707Ca 0.52 -0.94 0.08 0.00 -1.81 0.00 0.00 61.98 59.83 1a5u s VAL 4707Cb -0.22 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 1a5u s VAL 4707CO 0.72 0.58 -0.16 0.68 -0.31 0.00 0.00 175.10 176.61 1a5u s VAL 4708N -0.55 1.73 -0.23 1.32 -7.23 0.59 0.55 120.40 116.58 1a5u s VAL 4708Ca 0.08 -2.02 -0.13 0.00 -1.81 0.00 0.00 61.98 58.10 1a5u s VAL 4708Cb -0.11 -1.89 -0.05 0.00 0.56 0.00 0.00 36.38 34.89 1a5u s VAL 4708CO 0.00 -0.45 0.25 -0.63 -0.31 0.00 0.00 175.10 173.97 1a5u s ILE 4709N -2.46 5.29 -0.19 -0.62 1.01 0.54 -0.66 121.20 124.11 1a5u s ILE 4709Ca 0.18 0.38 -0.07 0.00 0.00 0.00 0.00 60.65 61.14 1a5u s ILE 4709Cb -0.03 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 1a5u s ILE 4709CO 0.06 0.30 0.04 -0.69 0.00 0.00 0.00 174.94 174.65 1a5u s VAL 4710N 1.22 4.49 -0.22 2.92 1.01 0.67 -0.51 120.40 129.98 1a5u s VAL 4710Ca 0.12 -0.14 -0.00 0.00 0.00 0.00 0.00 61.98 61.96 1a5u s VAL 4710Cb -0.14 -3.03 0.02 0.00 0.00 0.00 0.00 36.38 33.24 1a5u s VAL 4710CO 0.06 0.44 -0.12 -0.76 0.00 0.00 0.00 175.10 174.72 1a5u s LEU 4711N 0.61 2.75 0.30 3.92 1.43 0.71 0.46 118.68 128.85 1a5u s LEU 4711Ca 0.02 -0.79 0.05 0.00 -1.03 0.00 0.00 54.13 52.38 1a5u s LEU 4711Cb -0.13 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 1a5u s LEU 4711CO 0.02 -0.07 0.23 0.42 0.23 0.00 0.00 176.35 177.18 1a5u s THR 4712N 1.30 0.05 -0.19 5.49 -4.23 -0.09 -1.84 115.64 116.12 1a5u s THR 4712Ca 0.02 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.45 1a5u s THR 4712Cb -0.15 -2.49 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 1a5u s THR 4712CO -0.08 0.00 0.07 -0.83 -0.54 0.00 0.00 174.62 173.24 1a5u s GLY 4713N -3.33 1.89 0.31 3.99 0.00 -1.26 -0.33 107.32 108.58 1a5u s GLY 4713Ca 0.39 -0.80 0.07 0.00 0.00 0.00 0.00 44.72 44.38 1a5u s GLY 4713CO 0.23 0.13 1.69 -0.25 0.00 0.00 0.00 173.10 174.89 1a5u h TRP 4714N 6.92 0.73 -4.03 1.90 -0.00 -1.90 -3.43 115.95 116.15 1a5u h TRP 4714Ca -0.37 0.04 -0.16 0.00 -0.00 0.00 0.00 58.89 58.40 1a5u h TRP 4714Cb 1.17 -0.17 -0.11 0.00 -0.00 0.00 0.00 29.16 30.05 1a5u h TRP 4714CO 0.58 -0.08 -0.28 1.03 -0.00 0.00 0.00 178.44 179.70 1a5u s ARG 4715N -5.83 1.53 0.69 2.65 0.52 -1.26 -5.02 118.95 112.22 1a5u s ARG 4715Ca -0.11 -1.47 -0.17 0.00 -0.52 0.00 0.00 55.73 53.46 1a5u s ARG 4715Cb 0.27 0.41 -0.02 0.00 0.52 0.00 0.00 34.95 36.13 1a5u s ARG 4715CO 0.78 -0.60 0.89 -2.30 0.02 0.00 0.00 175.30 174.09 1a5u n PRO 4716N -0.39 0.57 -4.11 3.54 -0.01 -1.26 -2.49 135.00 130.85 1a5u n PRO 4716Ca 0.00 0.24 -0.31 0.00 -0.01 0.00 0.00 63.50 63.43 1a5u n PRO 4716Cb 0.63 -2.14 -0.03 0.00 -0.01 0.00 0.00 33.50 31.95 1a5u n PRO 4716CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1a5u n GLY 4717N 1.25 -0.32 0.17 -1.23 0.00 -1.26 -4.81 105.19 98.99 1a5u n GLY 4717Ca 0.13 0.14 0.05 0.00 0.00 0.00 0.00 46.02 46.34 1a5u n GLY 4717CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1a5u h SER 4718N -1.68 0.00 0.00 1.61 0.02 -1.86 -3.47 113.55 108.17 1a5u h SER 4718Ca -0.61 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 1a5u h SER 4718Cb 1.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.92 1a5u h SER 4718CO 0.70 0.41 0.00 0.61 -1.14 0.00 0.00 176.83 177.42 1a5u n GLY 4719N 0.57 2.88 3.60 -3.77 0.00 -1.26 -4.95 105.19 102.26 1a5u n GLY 4719Ca 0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 1a5u n GLY 4719CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1a5u n PHE 4720N 0.00 -2.30 -2.88 1.61 -1.74 -1.26 -5.01 117.46 105.89 1a5u n PHE 4720Ca 0.00 -1.80 -0.43 0.00 -0.56 0.00 0.00 57.45 54.66 1a5u n PHE 4720Cb 0.00 0.88 -0.03 0.00 1.52 0.00 0.00 39.48 41.85 1a5u n PHE 4720CO 0.00 0.00 0.00 -0.08 -0.56 0.00 0.00 176.76 176.12 1a5u s THR 4721N -2.15 4.47 -2.36 1.97 -1.32 -1.26 -4.18 115.64 110.80 1a5u s THR 4721Ca 0.16 -0.82 0.20 0.00 -1.21 0.00 0.00 61.69 60.02 1a5u s THR 4721Cb -0.05 -4.73 0.27 0.00 -1.51 0.00 0.00 72.50 66.48 1a5u s THR 4721CO 0.12 -1.48 1.24 -0.46 -2.21 0.00 0.00 174.62 171.82 1a5u n ASN 4722N 7.30 2.98 -4.14 8.08 0.23 0.55 -4.77 115.26 125.49 1a5u n ASN 4722Ca 0.07 -1.90 -0.33 0.00 -0.53 0.00 0.00 54.58 51.89 1a5u n ASN 4722Cb 0.47 -0.11 -0.15 0.00 -2.08 0.00 0.00 39.78 37.90 1a5u n ASN 4722CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1a5u s THR 4723N -1.54 2.29 -0.11 5.53 2.01 0.36 -4.88 115.64 119.31 1a5u s THR 4723Ca 0.29 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 61.31 1a5u s THR 4723Cb 0.19 -2.05 -0.01 0.00 0.01 0.00 0.00 72.50 70.64 1a5u s THR 4723CO 0.27 0.41 -0.18 -0.32 -0.69 0.00 0.00 174.62 174.11 1a5u s MET 4724N 1.29 3.18 0.06 4.92 1.75 -1.26 -0.92 119.30 128.32 1a5u s MET 4724Ca 0.03 -0.77 0.04 0.00 -1.25 0.00 0.00 55.69 53.74 1a5u s MET 4724Cb -0.14 -2.48 -0.03 0.00 2.84 0.00 0.00 34.83 35.02 1a5u s MET 4724CO -0.10 0.23 -0.11 1.03 -0.65 0.00 0.00 175.02 175.42 1a5u s ARG 4725N 0.26 0.70 -0.32 4.11 0.52 0.17 -4.93 118.95 119.45 1a5u s ARG 4725Ca -0.12 -0.89 -0.10 0.00 -0.52 0.00 0.00 55.73 54.10 1a5u s ARG 4725Cb -0.16 -0.57 -0.00 0.00 0.52 0.00 0.00 34.95 34.74 1a5u s ARG 4725CO 0.06 0.12 0.17 0.08 0.02 0.00 0.00 175.30 175.75 1a5u s VAL 4726N -1.44 4.63 0.07 3.52 1.01 -1.26 0.24 120.40 127.16 1a5u s VAL 4726Ca -0.05 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.49 1a5u s VAL 4726Cb -0.09 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1a5u s VAL 4726CO 0.01 0.00 -0.16 -0.69 0.00 0.00 0.00 175.10 174.27 1a5u s VAL 4727N 1.61 1.25 -0.04 2.92 1.01 0.16 -4.97 120.40 122.34 1a5u s VAL 4727Ca 0.04 -1.27 -0.10 0.00 0.00 0.00 0.00 61.98 60.65 1a5u s VAL 4727Cb -0.17 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 1a5u s VAL 4727CO 0.07 -0.12 0.29 -2.16 0.00 0.00 0.00 175.10 173.18 1a5u s PRO 4728N -1.59 3.68 -0.09 2.72 0.04 -1.26 0.22 135.00 138.72 1a5u s PRO 4728Ca 0.01 0.12 -0.30 0.00 0.04 0.00 0.00 61.00 60.88 1a5u s PRO 4728Cb -0.09 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 1a5u s PRO 4728CO 0.02 0.71 1.38 0.08 0.04 0.00 0.00 177.00 179.23 1a5u s VAL 4729N -1.12 4.00 -2.12 -0.36 1.01 0.69 -4.80 120.40 117.68 1a5u s VAL 4729Ca 0.22 1.26 0.31 0.00 0.00 0.00 0.00 61.98 63.76 1a5u s VAL 4729Cb -0.14 -3.81 0.82 0.00 0.00 0.00 0.00 36.38 33.25 1a5u s VAL 4729CO 0.11 -0.08 2.11 -0.81 0.00 0.00 0.00 175.10 176.43