#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sq5 s THR 4010N 0.00 1.59 -2.00 2.03 -1.32 -1.26 -5.01 115.64 109.66 1sq5 s THR 4010Ca 0.00 -2.01 0.11 0.00 -1.21 0.00 0.00 61.69 58.58 1sq5 s THR 4010Cb 0.00 -2.87 0.32 0.00 -1.51 0.00 0.00 72.50 68.44 1sq5 s THR 4010CO 0.00 -0.02 1.33 -2.65 -2.21 0.00 0.00 174.62 171.07 1sq5 n PRO 4011N -0.81 0.87 -5.04 7.08 -0.02 -1.26 -4.81 135.00 131.01 1sq5 n PRO 4011Ca -0.04 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.15 1sq5 n PRO 4011Cb 0.67 -1.20 -0.15 0.00 -0.02 0.00 0.00 33.50 32.79 1sq5 n PRO 4011CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1sq5 s TYR 4012N -2.00 2.12 0.22 6.00 1.51 -1.26 -0.55 117.35 123.40 1sq5 s TYR 4012Ca 0.17 -0.40 -0.21 0.00 -1.01 0.00 0.00 57.07 55.61 1sq5 s TYR 4012Cb 0.08 -1.33 -0.08 0.00 -0.11 0.00 0.00 41.96 40.51 1sq5 s TYR 4012CO 0.13 0.02 0.76 -0.51 -1.11 0.00 0.00 175.55 174.84 1sq5 s LEU 4013N -0.80 4.39 -0.02 -1.29 1.43 0.18 -4.86 118.68 117.70 1sq5 s LEU 4013Ca 0.09 1.51 0.07 0.00 -1.03 0.00 0.00 54.13 54.77 1sq5 s LEU 4013Cb -0.09 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 1sq5 s LEU 4013CO 0.00 0.05 -0.22 -1.58 0.23 0.00 0.00 176.35 174.83 1sq5 s GLN 4014N -1.83 1.83 -0.04 1.70 0.74 -1.26 -1.51 119.66 119.30 1sq5 s GLN 4014Ca 0.42 -0.79 0.00 0.00 0.05 0.00 0.00 55.36 55.04 1sq5 s GLN 4014Cb -0.18 -1.76 0.03 0.00 1.10 0.00 0.00 33.01 32.20 1sq5 s GLN 4014CO 0.22 0.47 0.00 -0.06 -0.55 0.00 0.00 175.29 175.37 1sq5 s PHE 4015N -0.49 0.37 0.85 1.67 0.40 -0.03 -5.00 117.98 115.74 1sq5 s PHE 4015Ca 0.08 -0.01 -0.11 0.00 -0.60 0.00 0.00 56.93 56.28 1sq5 s PHE 4015Cb -0.09 -0.48 0.14 0.00 0.51 0.00 0.00 43.02 43.10 1sq5 s PHE 4015CO -0.01 -0.16 1.19 0.16 0.70 0.00 0.00 175.22 177.10 1sq5 s ASP 4016N 1.22 3.90 0.19 1.36 1.47 -1.26 -0.47 116.67 123.07 1sq5 s ASP 4016Ca -0.07 0.32 -0.15 0.00 1.18 0.00 0.00 52.55 53.82 1sq5 s ASP 4016Cb -0.13 -0.61 0.16 0.00 -0.34 0.00 0.00 42.92 42.00 1sq5 s ASP 4016CO -0.02 -2.22 1.65 -0.09 0.68 0.00 0.00 175.17 175.16 1sq5 h ARG 4017N -1.16 -0.00 -0.51 2.11 2.43 -1.61 -1.82 114.38 113.81 1sq5 h ARG 4017Ca -0.44 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1sq5 h ARG 4017Cb 1.27 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.80 1sq5 h ARG 4017CO 0.48 -0.00 0.31 -0.91 -1.51 0.00 0.00 179.97 178.34 1sq5 h ASN 4018N -0.00 0.61 -0.10 -3.80 2.35 -1.93 0.19 115.58 112.90 1sq5 h ASN 4018Ca 0.25 -0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 55.87 1sq5 h ASN 4018Cb 0.37 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 1sq5 h ASN 4018CO -0.53 0.49 -0.14 1.56 -1.65 0.00 0.00 177.43 177.16 1sq5 h GLN 4019N 0.68 0.45 -0.03 0.81 4.20 -1.84 -1.79 115.11 117.60 1sq5 h GLN 4019Ca 0.18 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1sq5 h GLN 4019Cb -0.01 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1sq5 h GLN 4019CO -0.03 0.59 -0.06 2.35 -0.67 0.00 0.00 178.83 181.01 1sq5 h TRP 4020N 0.42 0.10 -0.02 2.96 2.91 -0.99 -3.07 115.95 118.25 1sq5 h TRP 4020Ca 0.08 -0.04 0.01 0.00 1.13 0.00 0.00 58.89 60.07 1sq5 h TRP 4020Cb 0.49 -0.02 -0.00 0.00 -0.51 0.00 0.00 29.16 29.12 1sq5 h TRP 4020CO 0.01 0.65 0.03 0.00 -1.03 0.00 0.00 178.44 178.10 1sq5 h ALA 4021N 0.44 1.53 0.00 2.65 0.00 -0.84 0.37 119.26 123.41 1sq5 h ALA 4021Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sq5 h ALA 4021Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1sq5 h ALA 4021CO 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.22 1sq5 n ALA 4022N -2.31 1.88 0.37 0.00 0.00 -0.68 -2.75 120.51 117.03 1sq5 n ALA 4022Ca -0.02 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.47 1sq5 n ALA 4022Cb 0.11 -1.27 0.32 0.00 0.00 0.00 0.00 19.45 18.62 1sq5 n ALA 4022CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1sq5 h LEU 4023N 0.00 0.00-10.08 0.00 3.38 -1.01 -3.45 115.31 104.15 1sq5 h LEU 4023Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 1sq5 h LEU 4023Cb 0.17 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.97 1sq5 h LEU 4023CO 0.00 0.00 0.41 0.00 0.09 0.00 0.00 178.44 178.94 1sq5 s ARG 4024N -3.23 3.56 0.00 1.13 1.70 -1.11 -5.01 118.95 115.99 1sq5 s ARG 4024Ca 0.07 1.49 0.00 0.00 -0.47 0.00 0.00 55.73 56.82 1sq5 s ARG 4024Cb 0.08 -2.05 0.00 0.00 -0.57 0.00 0.00 34.95 32.41 1sq5 s ARG 4024CO 0.62 -0.66 0.86 -0.25 -1.08 0.00 0.00 175.30 174.79 1sq5 n ASP 4025N -1.16 0.00 0.00 -2.89 8.00 -1.26 -5.12 116.55 114.11 1sq5 n ASP 4025Ca 0.10 0.86 0.00 0.00 0.71 0.00 0.00 54.79 56.47 1sq5 n ASP 4025Cb 0.52 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1sq5 n ASP 4025CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1sq5 n MET 4029N -1.64 0.00 -5.03 -1.24 2.81 -1.26 -5.17 117.12 105.59 1sq5 n MET 4029Ca 0.00 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.57 1sq5 n MET 4029Cb 0.00 0.00 -0.15 0.00 -0.71 0.00 0.00 33.22 32.36 1sq5 n MET 4029CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1sq5 s THR 4030N -1.35 2.66 -0.07 2.03 2.01 -1.26 -5.11 115.64 114.55 1sq5 s THR 4030Ca 0.00 -0.86 -0.15 0.00 0.31 0.00 0.00 61.69 61.00 1sq5 s THR 4030Cb 0.00 -2.02 -0.05 0.00 0.01 0.00 0.00 72.50 70.44 1sq5 s THR 4030CO 0.00 0.57 0.38 -0.76 -0.69 0.00 0.00 174.62 174.13 1sq5 s LEU 4031N -0.40 4.37 1.19 4.42 1.43 -1.26 -5.08 118.68 123.36 1sq5 s LEU 4031Ca 0.04 0.80 -0.15 0.00 -1.03 0.00 0.00 54.13 53.78 1sq5 s LEU 4031Cb -0.12 -2.53 0.28 0.00 0.03 0.00 0.00 46.19 43.85 1sq5 s LEU 4031CO 0.02 0.21 1.03 -0.55 0.23 0.00 0.00 176.35 177.29 1sq5 s SER 4032N -0.34 0.91 0.16 2.29 0.15 -1.26 -4.75 113.70 110.85 1sq5 s SER 4032Ca 0.22 1.17 -0.09 0.00 0.70 0.00 0.00 55.95 57.95 1sq5 s SER 4032Cb -0.15 -1.79 0.01 0.00 -1.71 0.00 0.00 66.02 62.38 1sq5 s SER 4032CO 0.10 -4.20 1.52 1.05 1.20 0.00 0.00 173.24 172.91 1sq5 h GLU 4033N -2.62 0.91 -0.32 5.44 9.09 -1.98 -0.87 114.58 124.23 1sq5 h GLU 4033Ca -0.55 -0.45 -0.12 0.00 0.05 0.00 0.00 59.36 58.30 1sq5 h GLU 4033Cb 1.33 -0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.42 1sq5 h GLU 4033CO 0.46 1.10 -0.28 -0.44 0.05 0.00 0.00 179.01 179.91 1sq5 h ASP 4034N 0.76 0.67 -0.30 3.06 3.32 -1.99 -0.85 116.42 121.10 1sq5 h ASP 4034Ca 0.08 -0.25 -0.12 0.00 0.02 0.00 0.00 57.03 56.76 1sq5 h ASP 4034Cb 0.91 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1sq5 h ASP 4034CO 0.08 0.91 -0.23 -0.33 -1.72 0.00 0.00 179.24 177.96 1sq5 h GLU 4035N 0.56 0.78 -0.20 3.56 5.08 -1.85 -1.04 114.58 121.48 1sq5 h GLU 4035Ca 0.07 -0.32 -0.14 0.00 -1.00 0.00 0.00 59.36 57.97 1sq5 h GLU 4035Cb 0.76 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1sq5 h GLU 4035CO 0.06 0.94 -0.46 0.82 -1.00 0.00 0.00 179.01 179.37 1sq5 h ILE 4036N 0.68 1.31 -0.34 3.13 2.04 -0.91 -2.26 117.51 121.16 1sq5 h ILE 4036Ca 0.09 -1.66 -0.12 0.00 1.00 0.00 0.00 64.86 64.17 1sq5 h ILE 4036Cb 0.75 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 1sq5 h ILE 4036CO 0.06 0.52 -0.29 0.00 0.00 0.00 0.00 178.15 178.44 1sq5 h ALA 4037N 1.10 0.85 -0.43 1.87 0.00 -0.88 -2.39 119.26 119.39 1sq5 h ALA 4037Ca 0.03 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1sq5 h ALA 4037Cb 0.96 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1sq5 h ALA 4037CO 0.09 0.63 -0.06 -0.09 0.00 0.00 0.00 179.25 179.82 1sq5 h ARG 4038N 0.61 0.79 -0.54 0.00 2.43 -1.02 -1.07 114.38 115.59 1sq5 h ARG 4038Ca 0.07 -0.28 -0.02 0.00 -0.81 0.00 0.00 59.98 58.94 1sq5 h ARG 4038Cb 0.80 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 1sq5 h ARG 4038CO 0.07 0.89 0.24 -0.07 -1.51 0.00 0.00 179.97 179.59 1sq5 h LEU 4039N 0.62 0.72 -0.76 3.80 3.38 -1.31 0.13 115.31 121.89 1sq5 h LEU 4039Ca 0.11 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1sq5 h LEU 4039Cb 0.57 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1sq5 h LEU 4039CO 0.03 0.67 0.35 0.11 0.09 0.00 0.00 178.44 179.69 1sq5 h LYS 4040N 0.73 1.11 -0.42 1.13 1.57 -1.34 -1.83 116.57 117.51 1sq5 h LYS 4040Ca 0.18 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1sq5 h LYS 4040Cb 0.15 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1sq5 h LYS 4040CO -0.02 0.88 0.16 0.78 -0.57 0.00 0.00 179.45 180.67 1sq5 h GLY 4041N 1.08 0.65 0.89 3.86 0.00 -0.49 -2.16 103.07 106.89 1sq5 h GLY 4041Ca 0.26 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1sq5 h GLY 4041CO -0.03 0.30 0.08 -2.22 0.00 0.00 0.00 176.54 174.67 1sq5 h ILE 4042N 0.60 1.17 -1.76 2.60 2.04 0.04 -3.43 117.51 118.77 1sq5 h ILE 4042Ca 0.15 -0.53 0.04 0.00 1.00 0.00 0.00 64.86 65.51 1sq5 h ILE 4042Cb 0.14 1.13 -0.22 0.00 -0.74 0.00 0.00 36.82 37.13 1sq5 h ILE 4042CO -0.01 0.17 -0.24 0.21 0.00 0.00 0.00 178.15 178.28 1sq5 s ASN 4043N -5.64 -0.97 0.60 1.72 3.84 -0.86 -5.03 114.94 108.60 1sq5 s ASN 4043Ca -0.14 1.16 0.34 0.00 0.21 0.00 0.00 52.86 54.43 1sq5 s ASN 4043Cb 0.07 2.02 1.91 0.00 -0.55 0.00 0.00 41.25 44.71 1sq5 s ASN 4043CO 0.71 -0.24 2.25 -0.33 -2.79 0.00 0.00 177.10 176.70 1sq5 h GLU 4044N 8.04 0.00 -0.01 0.43 5.08 -1.67 -2.03 114.58 124.42 1sq5 h GLU 4044Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1sq5 h GLU 4044Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1sq5 h GLU 4044CO 0.17 0.02 -0.36 -0.25 -1.00 0.00 0.00 179.01 177.59 1sq5 n ASP 4045N -3.58 1.23 -4.64 1.42 8.00 -1.26 -4.89 116.55 112.84 1sq5 n ASP 4045Ca -0.03 -1.00 -0.43 0.00 0.71 0.00 0.00 54.79 54.04 1sq5 n ASP 4045Cb 0.11 0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 41.45 1sq5 n ASP 4045CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1sq5 s LEU 4046N -2.55 4.06 0.15 0.64 2.96 -0.76 -4.94 118.68 118.24 1sq5 s LEU 4046Ca 0.21 1.99 -0.31 0.00 -0.22 0.00 0.00 54.13 55.80 1sq5 s LEU 4046Cb 0.19 -3.53 -0.09 0.00 0.50 0.00 0.00 46.19 43.26 1sq5 s LEU 4046CO 0.56 -1.19 1.46 -0.55 -1.32 0.00 0.00 176.35 175.31 1sq5 s SER 4047N 4.39 6.72 0.35 3.68 0.15 -1.26 -4.90 113.70 122.81 1sq5 s SER 4047Ca 0.77 2.48 0.15 0.00 0.70 0.00 0.00 55.95 60.06 1sq5 s SER 4047Cb -0.31 -2.59 0.61 0.00 -1.71 0.00 0.00 66.02 62.01 1sq5 s SER 4047CO 0.31 -0.72 1.72 -0.07 1.20 0.00 0.00 173.24 175.68 1sq5 h LEU 4048N 6.52 0.00 -0.20 3.45 3.38 -1.99 -1.96 115.31 124.52 1sq5 h LEU 4048Ca -0.43 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.44 1sq5 h LEU 4048Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1sq5 h LEU 4048CO 0.87 0.45 -0.27 -0.08 0.09 0.00 0.00 178.44 179.50 1sq5 h GLU 4049N 0.00 0.53 -0.70 1.13 4.81 -1.99 -2.23 114.58 116.13 1sq5 h GLU 4049Ca -0.00 -0.31 0.08 0.00 -0.13 0.00 0.00 59.36 59.00 1sq5 h GLU 4049Cb 0.91 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.25 1sq5 h GLU 4049CO 0.06 0.90 0.36 1.49 -0.73 0.00 0.00 179.01 181.09 1sq5 h GLU 4050N 0.20 0.61 -0.21 1.92 4.57 -1.87 0.88 114.58 120.69 1sq5 h GLU 4050Ca 0.02 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1sq5 h GLU 4050Cb 0.84 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 1sq5 h GLU 4050CO 0.06 0.41 0.12 0.28 -1.18 0.00 0.00 179.01 178.70 1sq5 h VAL 4051N 0.63 1.09 -0.61 0.32 2.07 -1.26 0.22 116.25 118.72 1sq5 h VAL 4051Ca 0.33 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.57 1sq5 h VAL 4051Cb 0.31 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1sq5 h VAL 4051CO -0.24 0.08 0.13 0.00 0.02 0.00 0.00 177.57 177.56 1sq5 h ALA 4052N 1.03 1.08 0.00 1.67 0.00 -0.67 -0.05 119.26 122.31 1sq5 h ALA 4052Ca 0.07 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1sq5 h ALA 4052Cb 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1sq5 h ALA 4052CO -0.01 0.61 -1.33 0.39 0.00 0.00 0.00 179.25 178.91 1sq5 n GLU 4053N -4.24 0.62 -0.00 0.00 1.02 0.21 -4.47 120.64 113.78 1sq5 n GLU 4053Ca 0.04 0.17 -0.04 0.00 -0.02 0.00 0.00 57.16 57.31 1sq5 n GLU 4053Cb 0.25 -1.80 -0.01 0.00 -0.02 0.00 0.00 31.44 29.86 1sq5 n GLU 4053CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1sq5 n ILE 4054N -2.79 1.11 0.13 -3.67 2.08 0.76 -3.85 119.36 113.13 1sq5 n ILE 4054Ca -0.07 0.23 -0.02 0.00 0.56 0.00 0.00 62.75 63.45 1sq5 n ILE 4054Cb 0.74 -1.76 0.16 0.00 -0.75 0.00 0.00 39.64 38.02 1sq5 n ILE 4054CO 0.00 0.00 0.00 1.88 0.56 0.00 0.00 176.55 178.99 1sq5 h TYR 4055N -0.29 0.04 -0.14 1.39 -1.99 -1.41 -2.34 116.97 112.23 1sq5 h TYR 4055Ca -0.05 -0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.64 1sq5 h TYR 4055Cb 0.49 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 39.21 1sq5 h TYR 4055CO -0.10 0.65 -0.02 -0.07 -0.00 0.00 0.00 178.16 178.62 1sq5 h LEU 4056N 0.02 0.26 -1.24 3.88 3.38 -1.24 -0.14 115.31 120.23 1sq5 h LEU 4056Ca -0.01 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 1sq5 h LEU 4056Cb 1.12 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 1sq5 h LEU 4056CO 0.08 0.54 0.28 -0.65 0.09 0.00 0.00 178.44 178.78 1sq5 h PRO 4057N -0.03 0.80 -0.57 1.13 0.11 -1.80 -0.78 132.00 130.87 1sq5 h PRO 4057Ca 0.04 -0.10 -0.09 0.00 0.11 0.00 0.00 66.00 65.96 1sq5 h PRO 4057Cb 0.42 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 1sq5 h PRO 4057CO 0.01 0.62 0.01 1.25 -0.21 0.00 0.00 178.00 179.68 1sq5 h LEU 4058N 0.80 0.94 -0.93 2.35 5.85 -1.22 -0.48 115.31 122.62 1sq5 h LEU 4058Ca 0.20 -0.25 -0.11 0.00 0.84 0.00 0.00 57.88 58.56 1sq5 h LEU 4058Cb 0.08 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1sq5 h LEU 4058CO -0.03 1.00 -0.48 0.77 -0.34 0.00 0.00 178.44 179.36 1sq5 h SER 4059N 0.90 0.14 -0.16 1.25 4.64 -0.32 -1.38 113.55 118.62 1sq5 h SER 4059Ca 0.17 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.39 1sq5 h SER 4059Cb 0.51 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1sq5 h SER 4059CO 0.03 0.60 -0.02 0.03 -0.87 0.00 0.00 176.83 176.59 1sq5 h ARG 4060N 0.10 0.30 -0.34 4.77 3.08 -0.66 -1.25 114.38 120.38 1sq5 h ARG 4060Ca 0.00 -0.11 0.05 0.00 0.07 0.00 0.00 59.98 60.00 1sq5 h ARG 4060Cb 0.89 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.87 1sq5 h ARG 4060CO 0.07 0.55 0.07 1.25 -1.07 0.00 0.00 179.97 180.84 1sq5 h LEU 4061N 0.02 0.02 -0.93 3.04 5.85 -0.86 -1.41 115.31 121.04 1sq5 h LEU 4061Ca 0.04 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1sq5 h LEU 4061Cb 0.43 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 1sq5 h LEU 4061CO 0.01 0.05 0.61 -0.07 -0.34 0.00 0.00 178.44 178.70 1sq5 h LEU 4062N 0.19 1.04 -1.40 2.25 3.38 -1.16 -1.83 115.31 117.79 1sq5 h LEU 4062Ca 0.16 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1sq5 h LEU 4062Cb 0.18 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1sq5 h LEU 4062CO -0.21 0.74 0.13 -1.13 0.09 0.00 0.00 178.44 178.06 1sq5 h ASN 4063N 1.23 0.48 -0.63 -0.43 -0.73 -0.24 0.00 115.58 115.25 1sq5 h ASN 4063Ca 0.35 -0.05 -0.08 0.00 1.87 0.00 0.00 56.30 58.39 1sq5 h ASN 4063Cb -0.09 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 38.36 1sq5 h ASN 4063CO -0.09 0.46 0.09 -0.26 -0.37 0.00 0.00 177.43 177.26 1sq5 h PHE 4064N 0.53 1.12 -0.41 0.67 0.05 -0.45 0.25 116.94 118.70 1sq5 h PHE 4064Ca 0.13 -0.16 -0.11 0.00 3.82 0.00 0.00 57.97 61.65 1sq5 h PHE 4064Cb 0.15 -0.31 -0.01 0.00 2.00 0.00 0.00 35.95 37.78 1sq5 h PHE 4064CO 0.01 0.96 -0.16 1.88 -0.18 0.00 0.00 178.31 180.81 1sq5 h TYR 4065N 0.96 0.95 -0.28 -0.55 -1.99 -0.98 -1.10 116.97 113.98 1sq5 h TYR 4065Ca 0.19 -0.22 -0.03 0.00 2.00 0.00 0.00 58.73 60.66 1sq5 h TYR 4065Cb 0.45 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 38.95 1sq5 h TYR 4065CO 0.03 0.98 0.04 0.82 -0.00 0.00 0.00 178.16 180.03 1sq5 h ILE 4066N 0.64 1.23 -0.15 -2.88 2.04 -0.82 -1.75 117.51 115.83 1sq5 h ILE 4066Ca 0.10 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 65.16 1sq5 h ILE 4066Cb 0.71 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1sq5 h ILE 4066CO 0.05 0.26 0.08 0.28 0.00 0.00 0.00 178.15 178.82 1sq5 h SER 4067N 0.29 0.12 -0.92 1.72 0.02 -0.46 -0.12 113.55 114.20 1sq5 h SER 4067Ca 0.09 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 61.17 1sq5 h SER 4067Cb 0.34 -0.02 -0.07 0.00 0.14 0.00 0.00 62.40 62.79 1sq5 h SER 4067CO 0.01 0.09 0.59 -1.28 -1.14 0.00 0.00 176.83 175.10 1sq5 h SER 4068N 0.17 0.75 -0.32 3.07 0.87 -1.09 0.76 113.55 117.75 1sq5 h SER 4068Ca 0.06 0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.58 1sq5 h SER 4068Cb 0.00 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 1sq5 h SER 4068CO -0.03 0.40 -0.09 -1.13 -0.53 0.00 0.00 176.83 175.45 1sq5 h ASN 4069N 0.81 0.64 -0.65 6.23 -0.73 -0.34 -2.04 115.58 119.50 1sq5 h ASN 4069Ca 0.45 -0.37 -0.07 0.00 1.87 0.00 0.00 56.30 58.18 1sq5 h ASN 4069Cb 0.60 -0.17 -0.03 0.00 0.27 0.00 0.00 38.32 38.98 1sq5 h ASN 4069CO -0.22 0.86 0.13 -0.07 -0.37 0.00 0.00 177.43 177.77 1sq5 h LEU 4070N 0.41 1.01 -0.06 0.34 3.38 0.28 -1.11 115.31 119.56 1sq5 h LEU 4070Ca 0.08 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1sq5 h LEU 4070Cb 0.59 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1sq5 h LEU 4070CO 0.03 1.00 0.02 0.03 0.09 0.00 0.00 178.44 179.61 1sq5 h ARG 4071N 0.97 0.09 -0.73 1.13 2.47 -0.87 -2.28 114.38 115.17 1sq5 h ARG 4071Ca 0.20 -0.02 0.03 0.00 -1.26 0.00 0.00 59.98 58.93 1sq5 h ARG 4071Cb 0.40 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.67 1sq5 h ARG 4071CO 0.01 0.26 0.48 -0.09 0.56 0.00 0.00 179.97 181.19 1sq5 h ARG 4072N -0.09 0.87 -0.52 0.04 2.43 -1.26 -0.53 114.38 115.31 1sq5 h ARG 4072Ca 0.02 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1sq5 h ARG 4072Cb 0.21 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1sq5 h ARG 4072CO -0.00 0.57 0.31 0.37 -1.51 0.00 0.00 179.97 179.71 1sq5 h GLN 4073N 0.90 0.71 -0.13 0.20 4.15 -0.86 0.95 115.11 121.02 1sq5 h GLN 4073Ca 0.29 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.58 1sq5 h GLN 4073Cb 0.03 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.57 1sq5 h GLN 4073CO -0.08 0.50 -0.19 0.00 -1.93 0.00 0.00 178.83 177.14 1sq5 h ALA 4074N 1.62 0.19 -0.70 3.38 0.00 -0.56 0.45 119.26 123.64 1sq5 h ALA 4074Ca 0.19 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1sq5 h ALA 4074Cb -0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1sq5 h ALA 4074CO -0.03 0.12 0.40 0.28 0.00 0.00 0.00 179.25 180.01 1sq5 h VAL 4075N -0.05 1.20 0.05 0.00 2.07 -0.72 -2.15 116.25 116.64 1sq5 h VAL 4075Ca 0.01 -0.48 -0.23 0.00 0.82 0.00 0.00 66.70 66.82 1sq5 h VAL 4075Cb 0.75 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1sq5 h VAL 4075CO 0.04 0.22 -1.04 -0.07 0.02 0.00 0.00 177.57 176.75 1sq5 h LEU 4076N 0.97 0.29 -0.58 2.57 3.38 -0.78 -2.73 115.31 118.43 1sq5 h LEU 4076Ca 0.25 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1sq5 h LEU 4076Cb -0.00 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1sq5 h LEU 4076CO -0.04 1.15 0.27 -0.08 0.09 0.00 0.00 178.44 179.83 1sq5 h GLU 4077N 0.09 0.84 -0.35 1.13 4.81 -0.52 0.24 114.58 120.81 1sq5 h GLU 4077Ca -0.07 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 1sq5 h GLU 4077Cb 1.73 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.94 1sq5 h GLU 4077CO 0.16 0.69 0.16 0.37 -0.73 0.00 0.00 179.01 179.66 1sq5 h GLN 4078N 0.79 0.51 0.09 1.92 4.15 -1.43 0.25 115.11 121.38 1sq5 h GLN 4078Ca 0.20 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.54 1sq5 h GLN 4078Cb 0.13 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.73 1sq5 h GLN 4078CO -0.02 0.47 -0.04 0.35 -1.93 0.00 0.00 178.83 177.65 1sq5 h PHE 4079N 0.43 -0.11 0.00 3.99 3.57 -1.19 -3.18 116.94 120.44 1sq5 h PHE 4079Ca 0.12 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1sq5 h PHE 4079Cb 0.13 0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1sq5 h PHE 4079CO -0.01 0.26 0.00 1.28 -2.23 0.00 0.00 178.31 177.61 1sq5 n LEU 4080N -4.97 0.00 -2.10 0.59 4.77 0.81 -4.90 117.00 111.20 1sq5 n LEU 4080Ca -0.08 0.47 -0.16 0.00 -0.03 0.00 0.00 56.01 56.20 1sq5 n LEU 4080Cb 0.22 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 1sq5 n LEU 4080CO 0.32 -0.05 -0.19 0.61 -1.33 0.00 0.00 177.39 176.75 1sq5 n GLY 4081N 1.18 0.20 3.16 -0.72 0.00 0.85 -4.91 105.19 104.95 1sq5 n GLY 4081Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1sq5 n GLY 4081CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sq5 s THR 4082N -2.68 4.13 0.00 2.61 2.01 -1.11 -4.92 115.64 115.68 1sq5 s THR 4082Ca 0.00 -2.54 -0.05 0.00 0.31 0.00 0.00 61.69 59.41 1sq5 s THR 4082Cb 0.00 -3.67 -0.21 0.00 0.01 0.00 0.00 72.50 68.63 1sq5 s THR 4082CO 0.00 -0.87 3.03 0.59 -0.69 0.00 0.00 174.62 176.68 1sq5 n ASN 4083N 3.97 4.46 -3.28 3.53 3.02 -1.26 -4.75 115.26 120.95 1sq5 n ASN 4083Ca 0.05 -2.32 -0.31 0.00 -0.03 0.00 0.00 54.58 51.97 1sq5 n ASN 4083Cb 0.40 -1.18 0.30 0.00 -0.61 0.00 0.00 39.78 38.69 1sq5 n ASN 4083CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sq5 n GLY 4084N 2.48 -3.88 3.76 7.41 0.00 -1.26 -4.97 105.19 108.73 1sq5 n GLY 4084Ca 0.33 -1.69 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 1sq5 n GLY 4084CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sq5 s GLN 4085N -5.05 2.59 0.00 1.61 -1.52 -1.26 -4.97 119.66 111.07 1sq5 s GLN 4085Ca 0.67 1.49 -0.30 0.00 -1.95 0.00 0.00 55.36 55.27 1sq5 s GLN 4085Cb -0.13 -1.92 -0.04 0.00 -0.22 0.00 0.00 33.01 30.71 1sq5 s GLN 4085CO 0.57 -1.43 1.10 1.03 -0.25 0.00 0.00 175.29 176.31 1sq5 s ARG 4086N -4.06 4.47 -0.19 2.91 0.52 -1.26 -5.02 118.95 116.32 1sq5 s ARG 4086Ca 0.69 1.59 -0.09 0.00 -0.52 0.00 0.00 55.73 57.39 1sq5 s ARG 4086Cb -0.23 -3.44 -0.05 0.00 0.52 0.00 0.00 34.95 31.76 1sq5 s ARG 4086CO 0.43 -0.21 0.11 0.42 0.02 0.00 0.00 175.30 176.06 1sq5 s ILE 4087N 1.31 5.22 0.29 1.52 -1.09 -1.26 -4.91 121.20 122.28 1sq5 s ILE 4087Ca 0.55 0.12 -0.30 0.00 -2.23 0.00 0.00 60.65 58.79 1sq5 s ILE 4087Cb -0.24 -3.37 -0.11 0.00 -1.58 0.00 0.00 42.46 37.16 1sq5 s ILE 4087CO 0.27 0.46 1.54 -2.84 -1.23 0.00 0.00 174.94 173.13 1sq5 s PRO 4088N 0.29 4.16 -0.05 2.79 0.02 -1.26 -4.97 135.00 135.98 1sq5 s PRO 4088Ca 0.07 2.50 -0.29 0.00 0.02 0.00 0.00 61.00 63.30 1sq5 s PRO 4088Cb -0.11 -3.04 -0.03 0.00 0.02 0.00 0.00 34.50 31.34 1sq5 s PRO 4088CO -0.01 -0.56 0.93 -0.47 -0.33 0.00 0.00 177.00 176.57 1sq5 s TYR 4089N -0.13 3.60 -0.15 6.54 5.04 -0.33 -4.88 117.35 127.03 1sq5 s TYR 4089Ca 0.61 1.58 -0.02 0.00 -2.44 0.00 0.00 57.07 56.80 1sq5 s TYR 4089Cb -0.46 -3.08 -0.02 0.00 0.35 0.00 0.00 41.96 38.75 1sq5 s TYR 4089CO 0.48 -0.06 -0.09 0.42 -1.34 0.00 0.00 175.55 174.96 1sq5 s ILE 4090N 1.30 3.35 -0.13 3.14 1.01 -1.26 -1.18 121.20 127.43 1sq5 s ILE 4090Ca 0.48 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.60 1sq5 s ILE 4090Cb -0.20 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.83 1sq5 s ILE 4090CO 0.23 0.50 -0.20 -0.63 0.00 0.00 0.00 174.94 174.85 1sq5 s ILE 4091N 0.49 2.35 0.16 2.92 1.01 0.04 -0.69 121.20 127.48 1sq5 s ILE 4091Ca -0.07 -0.89 0.07 0.00 0.00 0.00 0.00 60.65 59.76 1sq5 s ILE 4091Cb -0.15 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 1sq5 s ILE 4091CO 0.04 0.54 0.01 -0.94 0.00 0.00 0.00 174.94 174.59 1sq5 s SER 4092N 0.61 4.88 -0.12 3.58 1.04 -0.36 0.29 113.70 123.62 1sq5 s SER 4092Ca -0.11 -0.34 -0.01 0.00 0.48 0.00 0.00 55.95 55.97 1sq5 s SER 4092Cb -0.16 -1.08 0.04 0.00 0.10 0.00 0.00 66.02 64.91 1sq5 s SER 4092CO 0.03 0.10 -0.01 -0.63 0.98 0.00 0.00 173.24 173.71 1sq5 s ILE 4093N -1.68 0.60 0.48 -1.02 1.01 0.29 -0.93 121.20 119.94 1sq5 s ILE 4093Ca 0.28 -0.18 0.05 0.00 0.00 0.00 0.00 60.65 60.80 1sq5 s ILE 4093Cb -0.10 -0.81 -0.01 0.00 0.01 0.00 0.00 42.46 41.55 1sq5 s ILE 4093CO 0.19 0.16 0.23 0.00 0.00 0.00 0.00 174.94 175.53 1sq5 s ALA 4094N 1.87 4.01 0.00 9.38 0.00 0.12 -1.36 121.76 135.78 1sq5 s ALA 4094Ca 0.03 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.53 1sq5 s ALA 4094Cb -0.14 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.53 1sq5 s ALA 4094CO -0.07 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 175.86 1sq5 n GLY 4095N -1.45 2.97 3.64 0.00 0.00 -1.26 -0.73 105.19 108.36 1sq5 n GLY 4095Ca -0.05 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 43.86 1sq5 n GLY 4095CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sq5 n SER 4096N 0.00 0.52 -4.76 1.61 2.88 -1.26 -4.26 113.62 108.34 1sq5 n SER 4096Ca 0.00 0.58 -0.41 0.00 -1.33 0.00 0.00 58.87 57.70 1sq5 n SER 4096Cb 0.00 -1.45 -0.02 0.00 -0.75 0.00 0.00 64.21 62.00 1sq5 n SER 4096CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1sq5 s VAL 4097N -2.09 2.36 -0.16 2.46 1.01 -1.26 -2.15 120.40 120.56 1sq5 s VAL 4097Ca 0.71 0.32 0.00 0.00 0.00 0.00 0.00 61.98 63.02 1sq5 s VAL 4097Cb -0.30 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1sq5 s VAL 4097CO 0.53 0.06 0.00 0.00 0.00 0.00 0.00 175.10 175.69 1sq5 n ALA 4098N 1.60 -0.02 0.19 5.51 0.00 -1.26 -4.89 120.51 121.63 1sq5 n ALA 4098Ca 0.05 0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.59 1sq5 n ALA 4098Cb 0.39 -0.65 0.11 0.00 0.00 0.00 0.00 19.45 19.31 1sq5 n ALA 4098CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1sq5 h VAL 4099N 0.00 0.34 0.00 0.00 3.04 -1.79 -3.42 116.25 114.42 1sq5 h VAL 4099Ca -0.03 -1.48 0.00 0.00 -1.01 0.00 0.00 66.70 64.18 1sq5 h VAL 4099Cb 0.39 2.17 0.00 0.00 -2.01 0.00 0.00 31.29 31.84 1sq5 h VAL 4099CO 0.05 0.19 0.00 0.61 -1.01 0.00 0.00 177.57 177.41 1sq5 n GLY 4100N 1.15 1.97 0.15 3.17 0.00 -1.26 -4.97 105.19 105.39 1sq5 n GLY 4100Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1sq5 n GLY 4100CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sq5 h LYS 4101N 0.00 0.42 -0.67 1.61 1.57 -1.91 -0.57 116.57 117.02 1sq5 h LYS 4101Ca 0.00 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1sq5 h LYS 4101Cb 0.00 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1sq5 h LYS 4101CO 0.00 0.44 0.36 1.03 -0.57 0.00 0.00 179.45 180.72 1sq5 h SER 4102N 0.31 0.84 -0.23 0.86 0.87 -1.96 0.12 113.55 114.36 1sq5 h SER 4102Ca 0.09 -0.10 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 1sq5 h SER 4102Cb 0.18 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1sq5 h SER 4102CO -0.01 0.70 -0.05 0.74 -0.53 0.00 0.00 176.83 177.68 1sq5 h THR 4103N 0.92 1.28 -0.50 2.23 2.02 -1.94 -1.97 112.91 114.95 1sq5 h THR 4103Ca 0.24 -1.02 0.02 0.00 0.77 0.00 0.00 66.41 66.41 1sq5 h THR 4103Cb 0.05 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 1sq5 h THR 4103CO -0.04 0.32 0.31 0.74 0.37 0.00 0.00 175.52 177.22 1sq5 h THR 4104N 0.17 1.08 0.07 3.16 2.02 -0.83 -0.18 112.91 118.41 1sq5 h THR 4104Ca 0.06 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 1sq5 h THR 4104Cb 0.49 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1sq5 h THR 4104CO 0.02 0.11 -0.03 0.00 0.37 0.00 0.00 175.52 175.99 1sq5 h ALA 4105N 1.21 -0.10 -0.40 6.16 0.00 -0.72 -0.62 119.26 124.79 1sq5 h ALA 4105Ca 0.19 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1sq5 h ALA 4105Cb -0.02 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1sq5 h ALA 4105CO -0.07 -0.55 0.05 0.00 0.00 0.00 0.00 179.25 178.67 1sq5 h ARG 4106N -0.10 0.61 -0.13 0.00 3.08 -1.13 0.17 114.38 116.88 1sq5 h ARG 4106Ca -0.01 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 1sq5 h ARG 4106Cb 0.08 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 1sq5 h ARG 4106CO 0.02 0.60 -0.01 0.28 -1.07 0.00 0.00 179.97 179.78 1sq5 h VAL 4107N 0.59 1.27 -0.33 2.04 2.07 -0.79 -2.16 116.25 118.93 1sq5 h VAL 4107Ca 0.13 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 1sq5 h VAL 4107Cb 0.30 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 1sq5 h VAL 4107CO 0.01 0.26 0.06 -0.07 0.02 0.00 0.00 177.57 177.85 1sq5 h LEU 4108N -0.05 0.45 -0.48 2.57 3.38 -0.69 -0.86 115.31 119.64 1sq5 h LEU 4108Ca 0.03 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1sq5 h LEU 4108Cb 0.40 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1sq5 h LEU 4108CO 0.01 0.47 0.18 -0.61 0.09 0.00 0.00 178.44 178.58 1sq5 h GLN 4109N 0.48 0.72 -0.04 1.13 4.15 -0.51 -0.36 115.11 120.68 1sq5 h GLN 4109Ca 0.11 -0.14 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 1sq5 h GLN 4109Cb 0.22 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.79 1sq5 h GLN 4109CO -0.00 0.66 0.01 0.00 -1.93 0.00 0.00 178.83 177.57 1sq5 h ALA 4110N 1.03 0.06 -0.47 3.38 0.00 -0.83 -2.92 119.26 119.50 1sq5 h ALA 4110Ca 0.16 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1sq5 h ALA 4110Cb 0.22 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1sq5 h ALA 4110CO -0.01 -0.32 0.05 -0.07 0.00 0.00 0.00 179.25 178.90 1sq5 h LEU 4111N -0.15 0.77 -2.51 0.00 3.38 -1.10 -2.64 115.31 113.05 1sq5 h LEU 4111Ca 0.01 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1sq5 h LEU 4111Cb 0.24 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1sq5 h LEU 4111CO 0.00 0.85 -0.01 -0.07 0.09 0.00 0.00 178.44 179.30 1sq5 h LEU 4112N 0.66 0.00 -0.51 1.67 3.38 -1.09 -0.82 115.31 118.60 1sq5 h LEU 4112Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1sq5 h LEU 4112Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1sq5 h LEU 4112CO 0.01 0.01 0.00 -1.20 0.09 0.00 0.00 178.44 177.36 1sq5 n SER 4113N -3.21 0.57 0.21 -0.43 7.64 -0.99 -3.17 113.62 114.23 1sq5 n SER 4113Ca -0.02 0.63 0.05 0.00 1.01 0.00 0.00 58.87 60.53 1sq5 n SER 4113Cb 0.14 -0.75 0.48 0.00 -1.01 0.00 0.00 64.21 63.06 1sq5 n SER 4113CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1sq5 h ARG 4114N 0.00 0.04 -6.49 1.43 3.08 -1.24 -3.43 114.38 107.77 1sq5 h ARG 4114Ca 0.00 -0.01 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 1sq5 h ARG 4114Cb 0.39 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1sq5 h ARG 4114CO 0.00 0.22 0.33 -1.58 -1.07 0.00 0.00 179.97 177.87 1sq5 s TRP 4115N -4.64 3.77 0.55 3.04 0.51 -1.19 -4.93 118.94 116.05 1sq5 s TRP 4115Ca -0.04 1.72 0.24 0.00 -2.12 0.00 0.00 56.10 55.90 1sq5 s TRP 4115Cb 0.16 -3.03 1.47 0.00 -0.81 0.00 0.00 33.47 31.26 1sq5 s TRP 4115CO 0.70 0.17 2.10 -1.35 -0.51 0.00 0.00 176.95 178.07 1sq5 h PRO 4116N 5.85 0.00 -0.13 4.98 0.11 -1.91 -2.06 132.00 138.84 1sq5 h PRO 4116Ca -0.43 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.57 1sq5 h PRO 4116Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1sq5 h PRO 4116CO 0.72 0.00 -0.43 0.93 -0.21 0.00 0.00 178.00 179.01 1sq5 h GLU 4117N 0.00 0.31 -3.12 1.05 3.07 -1.94 -3.34 114.58 110.61 1sq5 h GLU 4117Ca 0.09 -0.15 -0.79 0.00 -0.50 0.00 0.00 59.36 58.01 1sq5 h GLU 4117Cb 0.42 0.00 -0.23 0.00 -0.84 0.00 0.00 28.75 28.10 1sq5 h GLU 4117CO -0.00 0.69 1.29 0.72 -1.40 0.00 0.00 179.01 180.31 1sq5 n HIS 4118N -4.01 2.50 -0.01 4.33 8.25 -0.77 -4.78 115.22 120.73 1sq5 n HIS 4118Ca -0.02 -2.65 -0.12 0.00 -0.26 0.00 0.00 57.72 54.67 1sq5 n HIS 4118Cb 0.50 -1.52 -0.08 0.00 1.12 0.00 0.00 29.99 30.01 1sq5 n HIS 4118CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sq5 h ARG 4119N 5.51 0.06 -4.60 -0.41 3.08 -1.77 -3.41 114.38 112.84 1sq5 h ARG 4119Ca 0.29 -0.02 -0.71 0.00 0.07 0.00 0.00 59.98 59.61 1sq5 h ARG 4119Cb 0.61 -0.01 -0.25 0.00 0.08 0.00 0.00 29.97 30.40 1sq5 h ARG 4119CO 1.45 0.35 -0.53 -0.98 -1.07 0.00 0.00 179.97 179.19 1sq5 s ARG 4120N -4.97 2.79 -0.47 0.04 3.03 -1.26 -5.02 118.95 113.09 1sq5 s ARG 4120Ca -0.15 -1.10 0.04 0.00 2.03 0.00 0.00 55.73 56.55 1sq5 s ARG 4120Cb 0.04 -3.69 0.12 0.00 -1.03 0.00 0.00 34.95 30.40 1sq5 s ARG 4120CO 0.68 -0.70 0.21 0.08 -1.13 0.00 0.00 175.30 174.45 1sq5 s VAL 4121N 1.53 2.30 0.57 4.99 1.01 -1.26 -0.94 120.40 128.59 1sq5 s VAL 4121Ca 0.01 -2.97 -0.14 0.00 0.00 0.00 0.00 61.98 58.88 1sq5 s VAL 4121Cb -0.19 -2.62 -0.06 0.00 0.00 0.00 0.00 36.38 33.51 1sq5 s VAL 4121CO 0.06 -0.77 1.01 -1.61 0.00 0.00 0.00 175.10 173.79 1sq5 s GLU 4122N 0.08 3.70 -0.09 2.72 0.41 -0.17 -4.93 118.70 120.42 1sq5 s GLU 4122Ca 0.16 0.91 -0.01 0.00 -0.41 0.00 0.00 54.97 55.62 1sq5 s GLU 4122Cb -0.24 -2.10 0.03 0.00 -1.78 0.00 0.00 34.13 30.04 1sq5 s GLU 4122CO -0.02 -0.48 -0.02 -1.17 -0.49 0.00 0.00 175.26 173.08 1sq5 s LEU 4123N -4.58 0.81 -0.05 1.80 0.20 -1.26 -0.78 118.68 114.81 1sq5 s LEU 4123Ca 0.58 -0.20 0.04 0.00 0.69 0.00 0.00 54.13 55.23 1sq5 s LEU 4123Cb -0.11 -0.57 0.00 0.00 -0.43 0.00 0.00 46.19 45.08 1sq5 s LEU 4123CO 0.41 -0.18 -0.16 -0.63 -0.29 0.00 0.00 176.35 175.50 1sq5 s ILE 4124N 1.89 1.36 -0.05 6.68 -1.09 -0.19 -4.98 121.20 124.82 1sq5 s ILE 4124Ca 0.04 -0.66 -0.01 0.00 -2.23 0.00 0.00 60.65 57.79 1sq5 s ILE 4124Cb -0.13 -1.19 -0.04 0.00 -1.58 0.00 0.00 42.46 39.53 1sq5 s ILE 4124CO -0.06 0.40 0.05 0.28 -1.23 0.00 0.00 174.94 174.37 1sq5 s THR 4125N 0.22 4.58 -1.17 2.92 -1.32 -1.26 -1.06 115.64 118.55 1sq5 s THR 4125Ca -0.08 -0.30 0.19 0.00 -1.21 0.00 0.00 61.69 60.30 1sq5 s THR 4125Cb -0.13 -3.01 0.23 0.00 -1.51 0.00 0.00 72.50 68.08 1sq5 s THR 4125CO 0.03 0.49 1.61 0.35 -2.21 0.00 0.00 174.62 174.89 1sq5 n THR 4126N 1.68 0.58 -0.30 5.08 -2.24 -0.04 -3.21 114.28 115.84 1sq5 n THR 4126Ca -0.16 0.14 0.09 0.00 -2.27 0.00 0.00 64.05 61.85 1sq5 n THR 4126Cb 0.53 -0.82 0.31 0.00 -2.10 0.00 0.00 70.33 68.25 1sq5 n THR 4126CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1sq5 h ASP 4127N 0.00 0.79 0.04 3.42 3.32 -1.95 0.10 116.42 122.14 1sq5 h ASP 4127Ca 0.00 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1sq5 h ASP 4127Cb 0.27 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1sq5 h ASP 4127CO 0.00 0.44 -0.03 1.23 -1.72 0.00 0.00 179.24 179.16 1sq5 h GLY 4128N 0.86 0.00 -0.65 2.75 0.00 -1.75 -1.97 103.07 102.31 1sq5 h GLY 4128Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1sq5 h GLY 4128CO -0.20 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.03 1sq5 n PHE 4129N -4.21 0.21 -2.06 5.60 3.01 0.02 -4.37 117.46 115.67 1sq5 n PHE 4129Ca -0.03 -0.10 -0.33 0.00 1.01 0.00 0.00 57.45 58.01 1sq5 n PHE 4129Cb 0.11 -0.03 0.01 0.00 -0.01 0.00 0.00 39.48 39.56 1sq5 n PHE 4129CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1sq5 s LEU 4130N -0.93 3.50 0.38 4.37 1.43 -0.74 -0.87 118.68 125.82 1sq5 s LEU 4130Ca 0.09 1.79 -0.26 0.00 -1.03 0.00 0.00 54.13 54.72 1sq5 s LEU 4130Cb 0.05 -4.53 -0.09 0.00 0.03 0.00 0.00 46.19 41.65 1sq5 s LEU 4130CO 0.06 -1.12 1.15 -1.00 0.23 0.00 0.00 176.35 175.66 1sq5 s HIS 4131N -2.49 3.18 1.08 0.29 3.76 -0.04 -4.74 115.29 116.33 1sq5 s HIS 4131Ca 0.63 1.58 -0.13 0.00 -0.15 0.00 0.00 55.06 56.99 1sq5 s HIS 4131Cb -0.15 -3.36 0.20 0.00 1.11 0.00 0.00 32.58 30.38 1sq5 s HIS 4131CO 0.37 -1.13 0.80 -2.30 -0.85 0.00 0.00 174.74 171.63 1sq5 n PRO 4132N 0.28 -1.63 -0.13 8.40 -0.02 -1.26 -4.63 135.00 136.01 1sq5 n PRO 4132Ca 0.03 -0.44 0.02 0.00 -2.02 0.00 0.00 63.50 61.10 1sq5 n PRO 4132Cb 0.46 -2.10 0.32 0.00 -0.02 0.00 0.00 33.50 32.16 1sq5 n PRO 4132CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1sq5 h ASN 4133N -2.28 0.70 0.03 2.55 2.35 -1.93 -0.85 115.58 116.15 1sq5 h ASN 4133Ca -0.54 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.20 1sq5 h ASN 4133Cb 1.32 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.50 1sq5 h ASN 4133CO 0.44 0.51 -0.09 -0.61 -1.65 0.00 0.00 177.43 176.02 1sq5 h GLN 4134N 0.83 -0.16 -0.78 0.81 4.15 -1.99 0.28 115.11 118.24 1sq5 h GLN 4134Ca 0.23 0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.61 1sq5 h GLN 4134Cb -0.08 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.61 1sq5 h GLN 4134CO -0.05 -0.11 0.30 0.28 -1.93 0.00 0.00 178.83 177.32 1sq5 h VAL 4135N -0.17 1.26 -0.61 2.39 2.07 -1.80 -2.03 116.25 117.36 1sq5 h VAL 4135Ca 0.03 -0.83 -0.08 0.00 0.82 0.00 0.00 66.70 66.64 1sq5 h VAL 4135Cb 0.20 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1sq5 h VAL 4135CO -0.07 0.34 0.08 -0.07 0.02 0.00 0.00 177.57 177.86 1sq5 h LEU 4136N 1.14 0.97 -0.35 2.57 3.38 -0.66 -2.40 115.31 119.96 1sq5 h LEU 4136Ca 0.26 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1sq5 h LEU 4136Cb 0.23 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1sq5 h LEU 4136CO -0.02 0.98 -0.17 0.11 0.09 0.00 0.00 178.44 179.43 1sq5 h LYS 4137N 0.94 0.73 -0.02 1.13 1.57 -0.19 0.78 116.57 121.51 1sq5 h LYS 4137Ca 0.19 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 1sq5 h LYS 4137Cb 0.44 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1sq5 h LYS 4137CO 0.01 0.92 -0.19 1.05 -0.57 0.00 0.00 179.45 180.68 1sq5 h GLU 4138N 0.51 0.04 -0.48 3.15 4.11 -1.31 -0.34 114.58 120.25 1sq5 h GLU 4138Ca 0.08 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.50 1sq5 h GLU 4138Cb 0.70 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1sq5 h GLU 4138CO 0.05 0.23 0.00 0.54 0.07 0.00 0.00 179.01 179.90 1sq5 n ARG 4139N -4.29 2.15 -3.84 1.06 1.74 -0.91 -4.93 116.66 107.65 1sq5 n ARG 4139Ca -0.02 -1.79 -0.28 0.00 -0.77 0.00 0.00 57.85 54.99 1sq5 n ARG 4139Cb 0.26 -1.39 0.04 0.00 -1.02 0.00 0.00 32.46 30.34 1sq5 n ARG 4139CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sq5 n GLY 4140N 1.30 -0.47 0.23 -0.13 0.00 -0.14 -4.89 105.19 101.08 1sq5 n GLY 4140Ca 0.17 0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.46 1sq5 n GLY 4140CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sq5 n LEU 4141N -4.67 2.59 0.14 0.99 4.77 0.26 -4.72 117.00 116.37 1sq5 n LEU 4141Ca -0.02 -2.87 0.12 0.00 -0.03 0.00 0.00 56.01 53.20 1sq5 n LEU 4141Cb 0.55 -0.38 0.53 0.00 -2.33 0.00 0.00 43.42 41.79 1sq5 n LEU 4141CO 0.73 0.67 0.85 0.80 -1.33 0.00 0.00 177.39 179.11 1sq5 n MET 4142N -1.06 0.17 -0.48 3.23 1.56 -1.21 -0.97 117.12 118.37 1sq5 n MET 4142Ca 0.14 0.51 0.08 0.00 -0.27 0.00 0.00 57.70 58.16 1sq5 n MET 4142Cb 0.62 -1.91 0.27 0.00 2.15 0.00 0.00 33.22 34.35 1sq5 n MET 4142CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1sq5 n LYS 4143N -2.25 3.29 -0.59 2.12 4.76 -1.26 -4.47 118.16 119.76 1sq5 n LYS 4143Ca 0.01 -2.76 0.05 0.00 -2.87 0.00 0.00 58.31 52.74 1sq5 n LYS 4143Cb 0.15 -1.81 0.10 0.00 -1.84 0.00 0.00 35.03 31.63 1sq5 n LYS 4143CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1sq5 n LYS 4144N 0.00 0.81 -1.78 1.97 4.76 -0.14 -4.91 118.16 118.87 1sq5 n LYS 4144Ca 0.21 -2.28 -0.42 0.00 -2.87 0.00 0.00 58.31 52.95 1sq5 n LYS 4144Cb 0.86 -1.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.01 1sq5 n LYS 4144CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1sq5 s LYS 4145N -1.73 4.15 0.00 1.97 1.02 -1.24 -1.63 119.74 122.28 1sq5 s LYS 4145Ca 0.26 2.54 0.00 0.00 0.02 0.00 0.00 55.97 58.79 1sq5 s LYS 4145Cb 0.26 -3.24 0.00 0.00 -0.52 0.00 0.00 37.83 34.33 1sq5 s LYS 4145CO -0.04 -0.74 0.00 0.41 -0.92 0.00 0.00 175.35 174.06 1sq5 n GLY 4146N 3.99 2.76 3.84 -3.33 0.00 -1.26 -4.93 105.19 106.27 1sq5 n GLY 4146Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1sq5 n GLY 4146CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sq5 s PHE 4147N -2.51 3.44 0.23 1.61 0.40 -0.64 -4.94 117.98 115.56 1sq5 s PHE 4147Ca 0.00 1.45 -0.13 0.00 -0.60 0.00 0.00 56.93 57.65 1sq5 s PHE 4147Cb 0.00 -2.80 0.29 0.00 0.51 0.00 0.00 43.02 41.02 1sq5 s PHE 4147CO 0.00 -0.48 1.61 -1.35 0.70 0.00 0.00 175.22 175.69 1sq5 h PRO 4148N 0.69 -0.01 0.00 0.24 0.11 -1.87 -0.91 132.00 130.24 1sq5 h PRO 4148Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1sq5 h PRO 4148Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1sq5 h PRO 4148CO 0.61 -0.01 0.00 -0.85 -0.21 0.00 0.00 178.00 177.55 1sq5 n GLU 4149N -5.48 0.14 0.00 1.05 0.00 -1.26 -1.76 120.64 113.33 1sq5 n GLU 4149Ca 0.09 0.56 0.14 0.00 0.00 0.00 0.00 57.16 57.95 1sq5 n GLU 4149Cb 0.37 -1.89 0.48 0.00 0.00 0.00 0.00 31.44 30.40 1sq5 n GLU 4149CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1sq5 n SER 4150N -2.17 0.97 -4.78 -1.84 3.41 -0.35 -4.89 113.62 103.98 1sq5 n SER 4150Ca -0.00 -0.95 -0.31 0.00 -0.26 0.00 0.00 58.87 57.35 1sq5 n SER 4150Cb 0.08 0.06 -0.07 0.00 -0.26 0.00 0.00 64.21 64.02 1sq5 n SER 4150CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1sq5 s TYR 4151N -2.38 3.23 -1.18 7.33 1.51 -0.72 -0.86 117.35 124.28 1sq5 s TYR 4151Ca 0.29 0.13 -0.08 0.00 -1.01 0.00 0.00 57.07 56.39 1sq5 s TYR 4151Cb 0.20 -1.67 0.23 0.00 -0.11 0.00 0.00 41.96 40.61 1sq5 s TYR 4151CO 0.47 0.53 1.55 -3.47 -1.11 0.00 0.00 175.55 173.52 1sq5 n ASP 4152N 0.73 5.64 -0.35 2.29 -0.08 -0.05 -4.82 116.55 119.91 1sq5 n ASP 4152Ca -0.10 -3.18 0.01 0.00 -1.51 0.00 0.00 54.79 50.01 1sq5 n ASP 4152Cb 0.52 -1.41 0.16 0.00 2.34 0.00 0.00 41.12 42.73 1sq5 n ASP 4152CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 1sq5 h MET 4153N 6.01 1.08 -0.61 -0.67 2.86 -1.89 -2.22 114.93 119.48 1sq5 h MET 4153Ca 0.28 -0.06 0.07 0.00 -2.06 0.00 0.00 59.70 57.92 1sq5 h MET 4153Cb 0.70 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 1sq5 h MET 4153CO 1.37 0.71 0.41 0.45 1.06 0.00 0.00 176.91 180.91 1sq5 h HIS 4154N 1.11 0.58 -0.27 -0.22 3.86 -1.94 0.25 115.15 118.53 1sq5 h HIS 4154Ca 0.40 0.01 -0.19 0.00 -1.16 0.00 0.00 60.37 59.44 1sq5 h HIS 4154Cb 0.14 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.42 1sq5 h HIS 4154CO -0.01 0.31 -0.57 -0.09 0.86 0.00 0.00 177.93 178.42 1sq5 h ARG 4155N 0.57 0.86 -0.48 2.45 2.43 -1.82 -1.85 114.38 116.55 1sq5 h ARG 4155Ca 0.27 -0.57 -0.04 0.00 -0.81 0.00 0.00 59.98 58.83 1sq5 h ARG 4155Cb 0.31 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1sq5 h ARG 4155CO -0.08 1.20 0.16 1.25 -1.51 0.00 0.00 179.97 180.98 1sq5 h LEU 4156N 0.64 0.69 -0.47 3.80 5.85 -0.99 -1.25 115.31 123.58 1sq5 h LEU 4156Ca 0.00 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1sq5 h LEU 4156Cb 1.19 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 1sq5 h LEU 4156CO 0.13 0.70 0.30 0.58 -0.34 0.00 0.00 178.44 179.81 1sq5 h VAL 4157N 0.64 1.13 -0.10 1.05 2.07 -0.96 -2.10 116.25 117.98 1sq5 h VAL 4157Ca 0.15 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1sq5 h VAL 4157Cb 0.26 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1sq5 h VAL 4157CO -0.01 0.13 -0.13 0.50 0.02 0.00 0.00 177.57 178.08 1sq5 h LYS 4158N 0.63 0.15 0.47 1.57 3.64 -1.09 0.01 116.57 121.95 1sq5 h LYS 4158Ca 0.17 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1sq5 h LYS 4158Cb -0.04 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1sq5 h LYS 4158CO -0.03 0.29 -0.23 0.35 -2.27 0.00 0.00 179.45 177.56 1sq5 h PHE 4159N 0.15 -0.58 0.00 1.91 3.57 -0.53 0.27 116.94 121.72 1sq5 h PHE 4159Ca 0.03 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 1sq5 h PHE 4159Cb 0.33 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1sq5 h PHE 4159CO 0.00 -0.34 -0.45 -0.39 -2.23 0.00 0.00 178.31 174.90 1sq5 h VAL 4160N -0.68 1.16 -0.31 1.41 -1.51 -1.37 -2.34 116.25 112.61 1sq5 h VAL 4160Ca -0.06 -1.64 -0.04 0.00 -1.23 0.00 0.00 66.70 63.72 1sq5 h VAL 4160Cb 0.51 1.93 -0.01 0.00 -2.13 0.00 0.00 31.29 31.58 1sq5 h VAL 4160CO 0.11 0.44 0.03 -1.28 -1.23 0.00 0.00 177.57 175.64 1sq5 h SER 4161N 0.00 0.52 -0.65 4.19 0.87 -0.72 -0.54 113.55 117.22 1sq5 h SER 4161Ca -0.00 -0.28 -0.02 0.00 -1.23 0.00 0.00 61.79 60.25 1sq5 h SER 4161Cb 0.89 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.68 1sq5 h SER 4161CO 0.06 0.67 0.32 0.44 -0.53 0.00 0.00 176.83 177.79 1sq5 h ASP 4162N 0.35 0.83 -0.61 6.23 3.32 -0.30 -0.99 116.42 125.24 1sq5 h ASP 4162Ca 0.09 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1sq5 h ASP 4162Cb 0.38 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 1sq5 h ASP 4162CO 0.01 0.72 0.39 -0.07 -1.72 0.00 0.00 179.24 178.57 1sq5 h LEU 4163N 0.89 0.72 0.00 1.55 3.38 -1.25 -0.77 115.31 119.82 1sq5 h LEU 4163Ca 0.22 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1sq5 h LEU 4163Cb 0.10 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1sq5 h LEU 4163CO -0.03 0.55 0.00 0.29 0.09 0.00 0.00 178.44 179.33 1sq5 n LYS 4164N -4.63 0.90 -0.00 1.13 4.01 -0.22 -2.19 118.16 117.15 1sq5 n LYS 4164Ca 0.04 0.00 0.09 0.00 -0.51 0.00 0.00 58.31 57.93 1sq5 n LYS 4164Cb 0.04 -1.37 -0.11 0.00 -0.51 0.00 0.00 35.03 33.08 1sq5 n LYS 4164CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1sq5 n SER 4165N -0.87 0.87 0.00 4.39 7.64 -0.35 -4.97 113.62 120.32 1sq5 n SER 4165Ca 0.16 -0.91 0.00 0.00 1.01 0.00 0.00 58.87 59.13 1sq5 n SER 4165Cb 0.07 1.03 0.00 0.00 -1.01 0.00 0.00 64.21 64.30 1sq5 n SER 4165CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sq5 n GLY 4166N 1.44 0.81 3.66 0.23 0.00 -0.93 -5.03 105.19 105.37 1sq5 n GLY 4166Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 1sq5 n GLY 4166CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sq5 n VAL 4167N -2.14 0.72 -0.02 1.61 0.31 -0.87 -4.89 118.33 113.05 1sq5 n VAL 4167Ca 0.00 -0.14 -0.10 0.00 -0.01 0.00 0.00 64.34 64.10 1sq5 n VAL 4167Cb 0.00 -2.22 -0.03 0.00 -0.91 0.00 0.00 33.84 30.68 1sq5 n VAL 4167CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1sq5 h PRO 4168N 10.38 -0.32 -5.10 5.55 0.13 -1.95 -3.41 132.00 137.27 1sq5 h PRO 4168Ca -0.49 0.02 -0.66 0.00 -0.87 0.00 0.00 66.00 64.00 1sq5 h PRO 4168Cb 1.25 0.07 -0.34 0.00 0.13 0.00 0.00 31.00 32.11 1sq5 h PRO 4168CO 0.94 -0.22 -0.86 -0.80 -0.23 0.00 0.00 178.00 176.83 1sq5 s ASN 4169N -4.97 3.00 -0.03 1.44 0.01 -1.26 -4.50 114.94 108.63 1sq5 s ASN 4169Ca -0.15 -0.58 0.07 0.00 -0.71 0.00 0.00 52.86 51.49 1sq5 s ASN 4169Cb 0.11 -1.39 -0.01 0.00 0.41 0.00 0.00 41.25 40.37 1sq5 s ASN 4169CO 0.67 0.06 -0.23 -0.69 -1.51 0.00 0.00 177.10 175.40 1sq5 s VAL 4170N 0.90 1.84 -0.06 1.60 1.01 -0.65 -4.97 120.40 120.07 1sq5 s VAL 4170Ca -0.06 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 60.94 1sq5 s VAL 4170Cb -0.15 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 1sq5 s VAL 4170CO -0.03 0.52 0.01 -0.89 0.00 0.00 0.00 175.10 174.71 1sq5 s THR 4171N -0.39 4.34 0.00 3.92 2.01 -1.26 -0.14 115.64 124.11 1sq5 s THR 4171Ca 0.05 -0.35 0.04 0.00 0.31 0.00 0.00 61.69 61.74 1sq5 s THR 4171Cb -0.10 -2.87 -0.01 0.00 0.01 0.00 0.00 72.50 69.52 1sq5 s THR 4171CO 0.01 0.52 -0.14 0.00 -0.69 0.00 0.00 174.62 174.32 1sq5 s ALA 4172N -0.97 1.14 0.71 7.40 0.00 0.06 -4.97 121.76 125.12 1sq5 s ALA 4172Ca 0.16 -0.64 -0.12 0.00 0.00 0.00 0.00 51.96 51.36 1sq5 s ALA 4172Cb -0.11 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.76 1sq5 s ALA 4172CO 0.06 0.27 1.09 -1.25 0.00 0.00 0.00 175.76 175.92 1sq5 s PRO 4173N -0.49 2.62 -0.02 0.00 0.04 -1.26 -0.38 135.00 135.51 1sq5 s PRO 4173Ca 0.04 1.20 0.06 0.00 0.04 0.00 0.00 61.00 62.34 1sq5 s PRO 4173Cb -0.06 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 1sq5 s PRO 4173CO -0.00 -1.37 -0.20 0.08 0.04 0.00 0.00 177.00 175.55 1sq5 s VAL 4174N -2.73 1.60 0.06 -0.36 1.01 -1.26 -4.38 120.40 114.34 1sq5 s VAL 4174Ca 0.62 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.78 1sq5 s VAL 4174Cb -0.17 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1sq5 s VAL 4174CO 0.50 0.45 0.02 -0.47 0.00 0.00 0.00 175.10 175.60 1sq5 s TYR 4175N -0.42 3.07 -0.26 5.22 5.04 -1.26 -0.43 117.35 128.31 1sq5 s TYR 4175Ca 0.06 0.03 0.02 0.00 -2.44 0.00 0.00 57.07 54.74 1sq5 s TYR 4175Cb -0.08 -1.60 0.07 0.00 0.35 0.00 0.00 41.96 40.70 1sq5 s TYR 4175CO -0.00 0.49 -0.04 0.45 -1.34 0.00 0.00 175.55 175.10 1sq5 s SER 4176N -2.12 4.12 0.49 4.32 0.15 -0.63 -4.88 113.70 115.16 1sq5 s SER 4176Ca 0.25 -1.38 0.33 0.00 0.70 0.00 0.00 55.95 55.85 1sq5 s SER 4176Cb -0.12 -1.30 1.67 0.00 -1.71 0.00 0.00 66.02 64.56 1sq5 s SER 4176CO 0.17 -0.26 2.01 0.45 1.20 0.00 0.00 173.24 176.82 1sq5 h HIS 4177N 7.88 0.00 0.04 3.44 3.86 -1.96 0.34 115.15 128.75 1sq5 h HIS 4177Ca -0.16 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.81 1sq5 h HIS 4177Cb 1.05 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.50 1sq5 h HIS 4177CO 0.52 0.00 -1.15 -0.07 0.86 0.00 0.00 177.93 178.09 1sq5 h LEU 4178N 0.00 0.13 -0.73 2.43 4.07 -1.94 -3.22 115.31 116.05 1sq5 h LEU 4178Ca 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.81 1sq5 h LEU 4178Cb 0.17 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 41.86 1sq5 h LEU 4178CO 0.00 1.12 -0.57 2.30 -1.08 0.00 0.00 178.44 180.21 1sq5 n ILE 4179N -3.38 0.00 -3.55 1.22 -5.35 -0.92 -1.62 119.36 105.76 1sq5 n ILE 4179Ca -0.05 -0.21 -0.20 0.00 -0.27 0.00 0.00 62.75 62.02 1sq5 n ILE 4179Cb 0.98 1.18 0.07 0.00 -1.74 0.00 0.00 39.64 40.13 1sq5 n ILE 4179CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sq5 n TYR 4180N -0.41 -2.22 -3.62 4.28 9.36 0.12 -4.82 117.16 119.85 1sq5 n TYR 4180Ca 0.07 0.92 -0.02 0.00 3.32 0.00 0.00 57.90 62.19 1sq5 n TYR 4180Cb 0.41 -4.84 -0.01 0.00 -0.63 0.00 0.00 39.34 34.26 1sq5 n TYR 4180CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1sq5 s ASP 4181N -4.17 -0.13 0.29 2.98 2.15 -1.00 -4.89 116.67 111.89 1sq5 s ASP 4181Ca 0.11 -0.12 -0.29 0.00 0.43 0.00 0.00 52.55 52.68 1sq5 s ASP 4181Cb -0.05 0.23 -0.10 0.00 -0.30 0.00 0.00 42.92 42.70 1sq5 s ASP 4181CO 0.76 -0.40 1.30 -0.69 -0.17 0.00 0.00 175.17 175.96 1sq5 s VAL 4182N -2.63 2.90 -0.48 1.11 1.01 -1.26 -1.60 120.40 119.45 1sq5 s VAL 4182Ca 0.11 0.85 -0.28 0.00 0.00 0.00 0.00 61.98 62.66 1sq5 s VAL 4182Cb 0.01 -3.54 0.03 0.00 0.00 0.00 0.00 36.38 32.88 1sq5 s VAL 4182CO -0.04 0.18 1.10 -0.63 0.00 0.00 0.00 175.10 175.71 1sq5 s ILE 4183N -0.76 4.25 0.32 2.22 1.01 0.43 -4.89 121.20 123.77 1sq5 s ILE 4183Ca 0.51 1.12 0.04 0.00 0.00 0.00 0.00 60.65 62.32 1sq5 s ILE 4183Cb -0.38 -4.58 0.41 0.00 0.01 0.00 0.00 42.46 37.92 1sq5 s ILE 4183CO 0.48 -0.99 1.56 -0.81 0.00 0.00 0.00 174.94 175.18 1sq5 n PRO 4184N 7.72 -0.08 -2.17 2.79 -0.04 -1.26 -2.33 135.00 139.64 1sq5 n PRO 4184Ca 0.11 1.48 -0.09 0.00 -0.04 0.00 0.00 63.50 64.95 1sq5 n PRO 4184Cb 0.49 -2.38 0.05 0.00 -0.04 0.00 0.00 33.50 31.62 1sq5 n PRO 4184CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1sq5 n ASP 4185N -5.47 2.97 -1.39 3.54 5.75 -1.26 -4.84 116.55 115.85 1sq5 n ASP 4185Ca 0.25 -2.93 -0.10 0.00 -0.01 0.00 0.00 54.79 52.00 1sq5 n ASP 4185Cb 0.83 -0.41 0.14 0.00 -1.03 0.00 0.00 41.12 40.65 1sq5 n ASP 4185CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sq5 n GLY 4186N -0.60 5.49 3.74 6.12 0.00 -0.98 -5.05 105.19 113.91 1sq5 n GLY 4186Ca 0.24 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 1sq5 n GLY 4186CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sq5 s ASP 4187N -2.96 6.36 -0.20 1.61 1.11 -1.26 -4.22 116.67 117.10 1sq5 s ASP 4187Ca 0.47 2.94 -0.12 0.00 0.18 0.00 0.00 52.55 56.01 1sq5 s ASP 4187Cb 0.41 -2.62 -0.05 0.00 1.07 0.00 0.00 42.92 41.73 1sq5 s ASP 4187CO -0.01 -0.94 0.23 -0.75 1.18 0.00 0.00 175.17 174.88 1sq5 s LYS 4188N -0.00 4.17 -0.29 8.23 2.20 0.49 -4.89 119.74 129.66 1sq5 s LYS 4188Ca 0.67 -0.07 -0.14 0.00 -0.36 0.00 0.00 55.97 56.07 1sq5 s LYS 4188Cb -0.49 -3.48 -0.04 0.00 -1.51 0.00 0.00 37.83 32.32 1sq5 s LYS 4188CO 0.43 0.15 0.32 0.99 -0.36 0.00 0.00 175.35 176.88 1sq5 s THR 4189N 0.78 5.21 -0.21 3.43 2.01 -1.26 -0.76 115.64 124.83 1sq5 s THR 4189Ca 0.12 0.37 -0.17 0.00 0.31 0.00 0.00 61.69 62.33 1sq5 s THR 4189Cb -0.13 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 1sq5 s THR 4189CO 0.03 0.14 0.44 -0.69 -0.69 0.00 0.00 174.62 173.85 1sq5 s VAL 4190N 1.98 5.16 -0.24 3.82 1.01 0.80 -4.95 120.40 127.99 1sq5 s VAL 4190Ca 0.12 0.77 0.13 0.00 0.00 0.00 0.00 61.98 63.00 1sq5 s VAL 4190Cb -0.16 -3.76 0.49 0.00 0.00 0.00 0.00 36.38 32.95 1sq5 s VAL 4190CO 0.11 0.21 1.42 1.33 0.00 0.00 0.00 175.10 178.16 1sq5 n VAL 4191N 4.54 2.40 -3.60 2.92 0.24 -1.26 -1.64 118.33 121.92 1sq5 n VAL 4191Ca -0.07 -2.41 -0.16 0.00 -2.04 0.00 0.00 64.34 59.66 1sq5 n VAL 4191Cb 0.51 -0.29 -0.07 0.00 -1.47 0.00 0.00 33.84 32.52 1sq5 n VAL 4191CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1sq5 s PRO 4193N -3.07 0.92 0.14 7.34 0.04 -1.26 -5.06 135.00 134.06 1sq5 s PRO 4193Ca 0.43 0.25 -0.07 0.00 0.04 0.00 0.00 61.00 61.65 1sq5 s PRO 4193Cb 0.37 0.43 -0.03 0.00 0.04 0.00 0.00 34.50 35.31 1sq5 s PRO 4193CO 0.03 -0.26 1.39 -0.44 0.04 0.00 0.00 177.00 177.77 1sq5 h ASP 4194N 3.53 0.74 -3.80 6.66 3.32 -1.42 -3.37 116.42 122.08 1sq5 h ASP 4194Ca -0.28 -0.46 -0.33 0.00 0.02 0.00 0.00 57.03 55.98 1sq5 h ASP 4194Cb 1.15 -0.22 -0.30 0.00 0.22 0.00 0.00 39.33 40.19 1sq5 h ASP 4194CO 0.35 1.23 -0.75 -0.63 -1.72 0.00 0.00 179.24 177.71 1sq5 s ILE 4195N -3.79 0.38 -0.12 0.35 1.01 -0.71 -1.19 121.20 117.13 1sq5 s ILE 4195Ca -0.08 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.42 1sq5 s ILE 4195Cb 0.10 -0.35 0.01 0.00 0.01 0.00 0.00 42.46 42.24 1sq5 s ILE 4195CO 0.87 0.13 -0.17 -0.22 0.00 0.00 0.00 174.94 175.55 1sq5 s LEU 4196N 0.12 1.81 -0.28 2.97 2.96 -0.33 -1.00 118.68 124.94 1sq5 s LEU 4196Ca -0.01 -0.47 -0.10 0.00 -0.22 0.00 0.00 54.13 53.33 1sq5 s LEU 4196Cb -0.05 -1.18 -0.04 0.00 0.50 0.00 0.00 46.19 45.43 1sq5 s LEU 4196CO -0.00 0.02 0.16 -0.63 -1.32 0.00 0.00 176.35 174.58 1sq5 s ILE 4197N 0.99 5.04 -0.34 6.68 1.01 0.04 -0.78 121.20 133.83 1sq5 s ILE 4197Ca -0.06 0.05 -0.08 0.00 0.00 0.00 0.00 60.65 60.56 1sq5 s ILE 4197Cb -0.15 -3.40 0.03 0.00 0.01 0.00 0.00 42.46 38.95 1sq5 s ILE 4197CO -0.02 0.26 0.13 -0.22 0.00 0.00 0.00 174.94 175.09 1sq5 s LEU 4198N 1.72 4.34 -0.18 2.97 2.96 0.15 -1.02 118.68 129.60 1sq5 s LEU 4198Ca 0.07 -0.98 -0.05 0.00 -0.22 0.00 0.00 54.13 52.95 1sq5 s LEU 4198Cb -0.16 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 1sq5 s LEU 4198CO 0.09 -0.31 -0.01 -0.70 -1.32 0.00 0.00 176.35 174.10 1sq5 s GLU 4199N 1.48 3.67 0.00 1.98 -6.30 -0.23 -0.55 118.70 118.75 1sq5 s GLU 4199Ca 0.01 -0.50 0.00 0.00 -2.50 0.00 0.00 54.97 51.97 1sq5 s GLU 4199Cb -0.19 -3.03 0.00 0.00 0.00 0.00 0.00 34.13 30.91 1sq5 s GLU 4199CO 0.04 0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.85 1sq5 n GLY 4200N 3.91 1.22 0.30 -1.50 0.00 -0.46 -0.86 105.19 107.80 1sq5 n GLY 4200Ca -0.17 -0.20 0.20 0.00 0.00 0.00 0.00 46.02 45.85 1sq5 n GLY 4200CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1sq5 h LEU 4201N 0.00 0.00 -2.98 0.99 8.10 -1.80 -3.08 115.31 116.53 1sq5 h LEU 4201Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1sq5 h LEU 4201Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1sq5 h LEU 4201CO 0.00 0.00 0.00 -0.46 -4.11 0.00 0.00 178.44 173.87 1sq5 n ASN 4202N -2.99 3.53 0.14 0.17 6.94 -1.26 -4.32 115.26 117.47 1sq5 n ASN 4202Ca -0.01 -2.27 0.11 0.00 -0.02 0.00 0.00 54.58 52.39 1sq5 n ASN 4202Cb 0.16 -0.38 0.52 0.00 -2.36 0.00 0.00 39.78 37.72 1sq5 n ASN 4202CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1sq5 n VAL 4203N 0.55 0.95 0.80 3.53 0.24 -1.16 -2.00 118.33 121.23 1sq5 n VAL 4203Ca 0.17 0.46 0.09 0.00 -2.04 0.00 0.00 64.34 63.02 1sq5 n VAL 4203Cb 0.61 -1.42 0.00 0.00 -1.47 0.00 0.00 33.84 31.56 1sq5 n VAL 4203CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1sq5 n LEU 4204N -2.22 1.80 -4.72 1.34 4.77 -1.26 -4.04 117.00 112.66 1sq5 n LEU 4204Ca 0.01 -0.78 -0.29 0.00 -0.03 0.00 0.00 56.01 54.92 1sq5 n LEU 4204Cb 0.14 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.38 1sq5 n LEU 4204CO 0.15 0.34 0.67 -1.10 -1.33 0.00 0.00 177.39 176.12 1sq5 s GLN 4205N -2.06 0.92 0.00 3.23 -0.21 -0.85 -4.93 119.66 115.76 1sq5 s GLN 4205Ca 0.15 0.54 0.00 0.00 0.02 0.00 0.00 55.36 56.07 1sq5 s GLN 4205Cb 0.15 -1.79 0.00 0.00 1.00 0.00 0.00 33.01 32.36 1sq5 s GLN 4205CO 0.45 -2.40 0.00 -1.13 -2.12 0.00 0.00 175.29 170.08 1sq5 n SER 4206N -3.95 0.00 -0.30 5.90 3.41 -1.26 -4.54 113.62 112.88 1sq5 n SER 4206Ca 0.06 -0.37 0.08 0.00 -0.26 0.00 0.00 58.87 58.39 1sq5 n SER 4206Cb 0.57 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.83 1sq5 n SER 4206CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1sq5 h GLY 4207N 0.00 1.35 2.00 5.00 0.00 -1.94 -1.39 103.07 108.08 1sq5 h GLY 4207Ca 0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 1sq5 h GLY 4207CO 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 176.54 176.70 1sq5 h MET 4208N 0.86 0.00 -0.00 4.80 -0.00 -1.97 0.02 114.93 118.64 1sq5 h MET 4208Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.14 1sq5 h MET 4208Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.11 1sq5 h MET 4208CO -0.20 0.00 -0.18 -0.25 -0.00 0.00 0.00 176.91 176.28 1sq5 n ASP 4209N -3.41 0.36 -2.96 -0.10 8.00 -0.52 -4.14 116.55 113.78 1sq5 n ASP 4209Ca -0.03 -0.21 -0.22 0.00 0.71 0.00 0.00 54.79 55.04 1sq5 n ASP 4209Cb 0.08 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 1sq5 n ASP 4209CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1sq5 n TYR 4210N -1.23 2.36 0.29 1.24 4.02 -0.01 -4.75 117.16 119.08 1sq5 n TYR 4210Ca 0.10 -3.74 0.15 0.00 -0.01 0.00 0.00 57.90 54.40 1sq5 n TYR 4210Cb 0.31 -0.41 0.90 0.00 -0.02 0.00 0.00 39.34 40.12 1sq5 n TYR 4210CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1sq5 h PRO 4211N 2.95 0.00 0.00 -0.72 0.13 -1.72 0.06 132.00 132.70 1sq5 h PRO 4211Ca 0.12 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.22 1sq5 h PRO 4211Cb 0.77 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 1sq5 h PRO 4211CO 0.68 0.00 -0.13 1.12 -0.23 0.00 0.00 178.00 179.44 1sq5 h HIS 4212N 0.00 0.00 -0.32 1.56 2.07 -1.92 -3.38 115.15 113.16 1sq5 h HIS 4212Ca 0.00 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.34 1sq5 h HIS 4212Cb 0.02 0.00 -0.15 0.00 2.57 0.00 0.00 27.41 29.85 1sq5 h HIS 4212CO 0.00 0.13 -0.46 -3.47 -3.07 0.00 0.00 177.93 171.05 1sq5 n ASP 4213N -3.21 -2.99 -4.78 3.10 4.64 -0.36 -5.16 116.55 107.80 1sq5 n ASP 4213Ca 0.01 -3.07 -0.41 0.00 -1.38 0.00 0.00 54.79 49.94 1sq5 n ASP 4213Cb 0.44 1.74 -0.01 0.00 -1.04 0.00 0.00 41.12 42.25 1sq5 n ASP 4213CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 1sq5 s PRO 4214N 0.73 4.21 0.12 -0.67 0.04 -0.14 -4.85 135.00 134.44 1sq5 s PRO 4214Ca 0.31 2.42 0.11 0.00 0.04 0.00 0.00 61.00 63.88 1sq5 s PRO 4214Cb 0.15 -3.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.65 1sq5 s PRO 4214CO -0.18 -0.39 -0.26 -3.38 0.04 0.00 0.00 177.00 172.83 1sq5 s HIS 4215N -1.13 2.33 -1.42 0.56 -3.43 -1.26 -5.06 115.29 105.88 1sq5 s HIS 4215Ca 0.51 -0.37 0.14 0.00 -0.80 0.00 0.00 55.06 54.54 1sq5 s HIS 4215Cb -0.44 -1.28 0.02 0.00 -1.43 0.00 0.00 32.58 29.46 1sq5 s HIS 4215CO 0.59 0.32 0.83 0.72 -2.00 0.00 0.00 174.74 175.19 1sq5 n HIS 4216N 1.00 0.00 -4.23 0.38 8.25 -1.26 -3.98 115.22 115.39 1sq5 n HIS 4216Ca -0.18 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.02 1sq5 n HIS 4216Cb 0.53 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.47 1sq5 n HIS 4216CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1sq5 s VAL 4217N -1.60 1.16 0.44 1.59 1.01 -1.26 -5.03 120.40 116.70 1sq5 s VAL 4217Ca 0.13 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1sq5 s VAL 4217Cb 0.12 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.38 1sq5 s VAL 4217CO 0.31 0.38 0.64 -0.36 0.00 0.00 0.00 175.10 176.07 1sq5 s PHE 4218N 1.22 3.12 0.21 5.22 2.99 -1.26 -4.97 117.98 124.51 1sq5 s PHE 4218Ca -0.04 0.06 -0.09 0.00 0.00 0.00 0.00 56.93 56.86 1sq5 s PHE 4218Cb -0.14 -2.31 0.27 0.00 0.00 0.00 0.00 43.02 40.84 1sq5 s PHE 4218CO -0.03 -0.36 1.76 0.28 -0.00 0.00 0.00 175.22 176.86 1sq5 h VAL 4219N 0.47 0.82 -0.14 -0.44 2.07 -1.85 -0.31 116.25 116.87 1sq5 h VAL 4219Ca -0.45 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 66.95 1sq5 h VAL 4219Cb 1.26 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1sq5 h VAL 4219CO 0.55 0.09 0.15 0.77 0.02 0.00 0.00 177.57 179.15 1sq5 h SER 4220N 0.47 0.00 0.45 0.57 4.64 -1.85 0.46 113.55 118.29 1sq5 h SER 4220Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1sq5 h SER 4220Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1sq5 h SER 4220CO -0.27 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.16 1sq5 n ASP 4221N -3.89 0.00 -0.12 4.97 8.00 -0.13 -2.13 116.55 123.26 1sq5 n ASP 4221Ca 0.01 0.40 0.06 0.00 0.71 0.00 0.00 54.79 55.97 1sq5 n ASP 4221Cb 0.27 -0.45 0.09 0.00 -0.02 0.00 0.00 41.12 41.00 1sq5 n ASP 4221CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1sq5 n PHE 4222N -1.45 0.00 -5.00 1.24 3.01 0.14 -5.01 117.46 110.39 1sq5 n PHE 4222Ca 0.04 -0.72 -0.32 0.00 1.01 0.00 0.00 57.45 57.46 1sq5 n PHE 4222Cb 0.16 -0.11 -0.15 0.00 -0.01 0.00 0.00 39.48 39.36 1sq5 n PHE 4222CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1sq5 s VAL 4223N -1.98 2.59 -0.03 -4.37 1.01 -0.90 -4.77 120.40 111.95 1sq5 s VAL 4223Ca 0.20 -0.84 -0.20 0.00 0.00 0.00 0.00 61.98 61.13 1sq5 s VAL 4223Cb 0.17 -2.04 -0.32 0.00 0.00 0.00 0.00 36.38 34.19 1sq5 s VAL 4223CO 0.02 0.55 0.91 0.44 0.00 0.00 0.00 175.10 177.01 1sq5 h ASP 4224N 6.52 0.55 -3.62 3.32 5.19 -1.20 -3.47 116.42 123.71 1sq5 h ASP 4224Ca -0.26 -0.95 -0.34 0.00 -0.62 0.00 0.00 57.03 54.87 1sq5 h ASP 4224Cb 1.21 -0.18 -0.32 0.00 0.18 0.00 0.00 39.33 40.22 1sq5 h ASP 4224CO 0.51 1.47 -0.75 0.12 -3.12 0.00 0.00 179.24 177.47 1sq5 s PHE 4225N -2.47 0.41 -0.02 4.55 5.36 -0.91 -5.04 117.98 119.87 1sq5 s PHE 4225Ca -0.13 -0.06 0.07 0.00 -0.96 0.00 0.00 56.93 55.85 1sq5 s PHE 4225Cb 0.02 -0.39 -0.02 0.00 -0.34 0.00 0.00 43.02 42.28 1sq5 s PHE 4225CO 0.86 -0.10 -0.22 -1.54 -1.46 0.00 0.00 175.22 172.76 1sq5 s SER 4226N 0.59 2.62 -0.05 6.13 1.04 -1.26 -1.23 113.70 121.55 1sq5 s SER 4226Ca -0.06 -0.41 0.06 0.00 0.48 0.00 0.00 55.95 56.01 1sq5 s SER 4226Cb -0.10 -0.29 -0.01 0.00 0.10 0.00 0.00 66.02 65.73 1sq5 s SER 4226CO -0.01 0.27 -0.23 -0.63 0.98 0.00 0.00 173.24 173.63 1sq5 s ILE 4227N -0.53 1.87 -0.24 -1.02 1.01 -0.11 -0.60 121.20 121.58 1sq5 s ILE 4227Ca 0.09 -0.96 -0.01 0.00 0.00 0.00 0.00 60.65 59.76 1sq5 s ILE 4227Cb -0.09 -1.59 0.03 0.00 0.01 0.00 0.00 42.46 40.82 1sq5 s ILE 4227CO -0.01 0.52 -0.07 -0.47 0.00 0.00 0.00 174.94 174.92 1sq5 s TYR 4228N -0.09 3.06 -0.17 3.97 5.04 0.30 0.11 117.35 129.56 1sq5 s TYR 4228Ca -0.04 -1.56 -0.25 0.00 -2.44 0.00 0.00 57.07 52.78 1sq5 s TYR 4228Cb -0.13 -2.05 -0.02 0.00 0.35 0.00 0.00 41.96 40.11 1sq5 s TYR 4228CO 0.03 -0.73 0.82 0.08 -1.34 0.00 0.00 175.55 174.41 1sq5 s VAL 4229N 1.32 4.89 0.09 3.14 1.01 0.09 -0.96 120.40 129.98 1sq5 s VAL 4229Ca 0.00 1.60 0.10 0.00 0.00 0.00 0.00 61.98 63.69 1sq5 s VAL 4229Cb -0.16 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 1sq5 s VAL 4229CO -0.05 0.04 -0.26 -0.62 0.00 0.00 0.00 175.10 174.21 1sq5 s ASP 4230N 1.15 3.31 -0.03 3.32 2.15 0.26 -4.26 116.67 122.57 1sq5 s ASP 4230Ca 0.38 -0.65 -0.29 0.00 0.43 0.00 0.00 52.55 52.42 1sq5 s ASP 4230Cb -0.17 -0.29 0.10 0.00 -0.30 0.00 0.00 42.92 42.26 1sq5 s ASP 4230CO 0.12 0.22 0.83 0.00 -0.17 0.00 0.00 175.17 176.17 1sq5 s ALA 4231N -0.94 -1.81 0.65 3.66 0.00 -1.26 0.43 121.76 122.49 1sq5 s ALA 4231Ca 0.13 1.17 -0.17 0.00 0.00 0.00 0.00 51.96 53.09 1sq5 s ALA 4231Cb -0.10 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.08 1sq5 s ALA 4231CO 0.04 -0.52 1.20 -2.14 0.00 0.00 0.00 175.76 174.34 1sq5 s PRO 4232N -2.19 2.64 0.26 0.00 0.02 -1.26 -4.83 135.00 129.64 1sq5 s PRO 4232Ca -0.01 1.76 -0.03 0.00 0.02 0.00 0.00 61.00 62.73 1sq5 s PRO 4232Cb -0.01 -1.89 0.39 0.00 0.02 0.00 0.00 34.50 33.00 1sq5 s PRO 4232CO -0.02 -1.45 1.87 1.49 -0.33 0.00 0.00 177.00 178.56 1sq5 h GLU 4233N 0.34 1.07 -0.56 5.54 4.22 -2.01 -1.41 114.58 121.78 1sq5 h GLU 4233Ca -0.49 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 58.86 1sq5 h GLU 4233Cb 1.29 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 1sq5 h GLU 4233CO 0.53 0.71 0.24 0.38 -2.18 0.00 0.00 179.01 178.69 1sq5 h ASP 4234N 1.10 0.72 0.17 1.04 2.03 -2.00 -0.99 116.42 118.50 1sq5 h ASP 4234Ca 0.42 -0.08 -0.27 0.00 -0.73 0.00 0.00 57.03 56.36 1sq5 h ASP 4234Cb 0.18 -0.18 0.02 0.00 -0.83 0.00 0.00 39.33 38.51 1sq5 h ASP 4234CO -0.18 0.63 -1.13 -0.07 -1.03 0.00 0.00 179.24 177.47 1sq5 h LEU 4235N 0.79 0.78 -0.87 0.15 3.38 -1.80 -3.02 115.31 114.72 1sq5 h LEU 4235Ca 0.19 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1sq5 h LEU 4235Cb 0.13 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1sq5 h LEU 4235CO -0.02 1.49 0.55 -0.07 0.09 0.00 0.00 178.44 180.48 1sq5 h LEU 4236N 0.29 1.03 -0.20 1.67 3.38 -0.96 -0.77 115.31 119.75 1sq5 h LEU 4236Ca -0.15 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1sq5 h LEU 4236Cb 1.79 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 1sq5 h LEU 4236CO 0.21 0.77 0.09 -0.61 0.09 0.00 0.00 178.44 178.99 1sq5 h GLN 4237N 1.19 0.28 -0.30 1.13 4.15 -1.23 0.06 115.11 120.40 1sq5 h GLN 4237Ca 0.32 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.71 1sq5 h GLN 4237Cb -0.09 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 1sq5 h GLN 4237CO -0.06 0.31 0.18 1.15 -1.93 0.00 0.00 178.83 178.48 1sq5 h THR 4238N 0.19 1.04 -0.73 2.39 2.02 -1.34 -0.51 112.91 115.97 1sq5 h THR 4238Ca 0.07 -0.13 -0.06 0.00 0.77 0.00 0.00 66.41 67.07 1sq5 h THR 4238Cb 0.12 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 1sq5 h THR 4238CO -0.01 0.07 0.24 -0.50 0.37 0.00 0.00 175.52 175.69 1sq5 h TRP 4239N 0.37 1.16 0.16 3.16 6.55 -1.00 -0.65 115.95 125.70 1sq5 h TRP 4239Ca 0.12 -0.11 -0.01 0.00 0.95 0.00 0.00 58.89 59.84 1sq5 h TRP 4239Cb -0.01 -0.34 0.00 0.00 -0.86 0.00 0.00 29.16 27.96 1sq5 h TRP 4239CO -0.07 0.91 -0.08 -0.92 -1.05 0.00 0.00 178.44 177.23 1sq5 h TYR 4240N 1.08 -0.20 -0.17 0.49 3.20 -0.66 -1.43 116.97 119.29 1sq5 h TYR 4240Ca 0.24 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.10 1sq5 h TYR 4240Cb 0.29 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 1sq5 h TYR 4240CO 0.02 -0.03 0.11 0.82 -1.64 0.00 0.00 178.16 177.45 1sq5 h ILE 4241N -0.33 1.04 -0.32 1.81 2.04 -0.94 -0.18 117.51 120.63 1sq5 h ILE 4241Ca -0.02 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1sq5 h ILE 4241Cb 0.26 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1sq5 h ILE 4241CO 0.04 0.04 0.10 0.78 0.00 0.00 0.00 178.15 179.11 1sq5 h ASN 4242N 0.23 0.41 -0.19 1.72 2.35 -1.09 0.75 115.58 119.75 1sq5 h ASN 4242Ca 0.06 -0.04 -0.17 0.00 -0.55 0.00 0.00 56.30 55.60 1sq5 h ASN 4242Cb -0.03 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 1sq5 h ASN 4242CO -0.01 0.41 -0.49 -0.09 -1.65 0.00 0.00 177.43 175.59 1sq5 h ARG 4243N 0.46 0.77 -0.05 0.81 2.43 -0.82 -2.41 114.38 115.55 1sq5 h ARG 4243Ca 0.11 -0.45 0.01 0.00 -0.81 0.00 0.00 59.98 58.84 1sq5 h ARG 4243Cb 0.14 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1sq5 h ARG 4243CO -0.01 1.08 0.01 0.35 -1.51 0.00 0.00 179.97 179.89 1sq5 h PHE 4244N 0.60 0.02 -0.59 2.20 3.57 0.15 -1.50 116.94 121.40 1sq5 h PHE 4244Ca 0.03 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.58 1sq5 h PHE 4244Cb 1.06 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.75 1sq5 h PHE 4244CO 0.06 0.01 0.31 -0.07 -2.23 0.00 0.00 178.31 176.39 1sq5 h LEU 4245N 0.03 0.46 -1.31 0.59 3.38 -0.81 0.13 115.31 117.79 1sq5 h LEU 4245Ca 0.02 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1sq5 h LEU 4245Cb 0.02 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1sq5 h LEU 4245CO -0.03 0.31 0.09 0.11 0.09 0.00 0.00 178.44 179.00 1sq5 h LYS 4246N 0.60 0.56 -0.57 1.13 1.57 -1.20 0.86 116.57 119.52 1sq5 h LYS 4246Ca 0.26 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.85 1sq5 h LYS 4246Cb 0.15 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1sq5 h LYS 4246CO -0.17 0.52 -0.04 0.74 -0.57 0.00 0.00 179.45 179.93 1sq5 h PHE 4247N 0.55 1.11 -0.07 -1.35 0.05 -0.03 -1.01 116.94 116.18 1sq5 h PHE 4247Ca 0.13 -0.20 -0.02 0.00 3.82 0.00 0.00 57.97 61.70 1sq5 h PHE 4247Cb 0.22 -0.29 -0.00 0.00 2.00 0.00 0.00 35.95 37.88 1sq5 h PHE 4247CO 0.01 1.00 -0.02 -0.09 -0.18 0.00 0.00 178.31 179.03 1sq5 h ARG 4248N 0.92 0.14 -0.58 1.51 2.43 0.11 -2.88 114.38 116.03 1sq5 h ARG 4248Ca 0.16 -0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.36 1sq5 h ARG 4248Cb 0.59 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.06 1sq5 h ARG 4248CO 0.04 0.48 0.21 0.93 -1.51 0.00 0.00 179.97 180.12 1sq5 h GLU 4249N -0.20 0.38 0.00 0.20 5.08 -0.76 -0.06 114.58 119.22 1sq5 h GLU 4249Ca 0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1sq5 h GLU 4249Cb 0.43 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1sq5 h GLU 4249CO 0.01 0.25 0.00 0.78 -1.00 0.00 0.00 179.01 179.05 1sq5 h GLY 4250N 0.39 0.00 -1.95 -3.84 0.00 -1.09 -2.60 103.07 93.98 1sq5 h GLY 4250Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1sq5 h GLY 4250CO -0.29 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.25 1sq5 n ALA 4251N -1.94 2.45 -0.30 3.60 0.00 -0.05 -4.60 120.51 119.67 1sq5 n ALA 4251Ca -0.01 -0.74 0.12 0.00 0.00 0.00 0.00 53.44 52.80 1sq5 n ALA 4251Cb 0.11 -0.80 0.29 0.00 0.00 0.00 0.00 19.45 19.05 1sq5 n ALA 4251CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1sq5 h PHE 4252N 4.53 0.54 -0.41 0.00 0.05 -1.32 -1.48 116.94 118.86 1sq5 h PHE 4252Ca 0.00 0.04 0.00 0.00 3.82 0.00 0.00 57.97 61.83 1sq5 h PHE 4252Cb 0.97 -0.10 0.00 0.00 2.00 0.00 0.00 35.95 38.82 1sq5 h PHE 4252CO 0.05 -0.08 0.00 0.25 -0.18 0.00 0.00 178.31 178.34 1sq5 n THR 4253N -5.10 1.57 -3.80 -1.55 -2.24 -1.26 -4.84 114.28 97.06 1sq5 n THR 4253Ca 0.21 -1.30 -0.34 0.00 -2.27 0.00 0.00 64.05 60.34 1sq5 n THR 4253Cb 0.63 0.20 -0.11 0.00 -2.10 0.00 0.00 70.33 68.95 1sq5 n THR 4253CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sq5 s ASP 4254N -1.25 4.93 0.00 3.42 -1.08 -0.56 -4.91 116.67 117.22 1sq5 s ASP 4254Ca 0.36 -2.91 0.09 0.00 -0.52 0.00 0.00 52.55 49.57 1sq5 s ASP 4254Cb 0.24 -1.78 0.47 0.00 -1.46 0.00 0.00 42.92 40.38 1sq5 s ASP 4254CO 0.16 -0.32 1.18 -2.65 0.52 0.00 0.00 175.17 174.06 1sq5 n PRO 4255N 3.35 0.13 -0.94 4.34 -0.02 -1.26 -1.58 135.00 139.01 1sq5 n PRO 4255Ca 0.07 0.20 -0.03 0.00 -2.02 0.00 0.00 63.50 61.72 1sq5 n PRO 4255Cb 0.36 -1.50 0.30 0.00 -0.02 0.00 0.00 33.50 32.64 1sq5 n PRO 4255CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1sq5 n ASP 4256N -1.29 4.67 -4.47 2.55 8.00 -1.26 -4.94 116.55 119.81 1sq5 n ASP 4256Ca 0.04 -3.22 -0.30 0.00 0.71 0.00 0.00 54.79 52.02 1sq5 n ASP 4256Cb 0.07 -0.71 -0.12 0.00 -0.02 0.00 0.00 41.12 40.34 1sq5 n ASP 4256CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1sq5 s SER 4257N -1.21 3.87 0.22 -2.24 0.15 -0.62 -4.88 113.70 108.99 1sq5 s SER 4257Ca 0.53 -0.46 -0.04 0.00 0.70 0.00 0.00 55.95 56.68 1sq5 s SER 4257Cb 0.43 -0.61 0.19 0.00 -1.71 0.00 0.00 66.02 64.32 1sq5 s SER 4257CO 0.12 0.23 1.64 0.22 1.20 0.00 0.00 173.24 176.65 1sq5 h TYR 4258N 4.24 0.88 0.00 3.44 3.20 -1.62 -2.81 116.97 124.29 1sq5 h TYR 4258Ca -0.48 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 61.19 1sq5 h TYR 4258Cb 1.16 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.22 1sq5 h TYR 4258CO 0.56 0.92 0.00 1.19 -1.64 0.00 0.00 178.16 179.19 1sq5 n PHE 4259N -4.12 0.00 0.03 -3.82 3.01 -1.26 -2.98 117.46 108.33 1sq5 n PHE 4259Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.42 1sq5 n PHE 4259Cb 0.43 -0.01 0.17 0.00 -0.01 0.00 0.00 39.48 40.06 1sq5 n PHE 4259CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1sq5 h HIS 4260N 0.00 0.50 -0.94 1.38 2.76 -1.73 -2.44 115.15 114.68 1sq5 h HIS 4260Ca 0.00 -0.13 0.24 0.00 -2.20 0.00 0.00 60.37 58.28 1sq5 h HIS 4260Cb 0.01 -0.11 -0.06 0.00 1.55 0.00 0.00 27.41 28.80 1sq5 h HIS 4260CO 0.00 0.73 0.64 -0.91 -1.30 0.00 0.00 177.93 177.09 1sq5 h ASN 4261N 0.37 0.26 1.16 3.26 2.35 -1.73 0.25 115.58 121.49 1sq5 h ASN 4261Ca 0.04 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1sq5 h ASN 4261Cb 0.80 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.16 1sq5 h ASN 4261CO 0.06 0.09 -0.23 -1.22 -1.65 0.00 0.00 177.43 174.49 1sq5 n TYR 4262N -4.44 0.63 0.27 1.19 4.02 -0.92 -3.45 117.16 114.47 1sq5 n TYR 4262Ca 0.20 0.18 0.15 0.00 -0.01 0.00 0.00 57.90 58.43 1sq5 n TYR 4262Cb 0.84 -0.75 0.70 0.00 -0.02 0.00 0.00 39.34 40.11 1sq5 n TYR 4262CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1sq5 h ALA 4263N 2.61 1.06 0.00 -0.72 0.00 -0.49 -1.95 119.26 119.77 1sq5 h ALA 4263Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1sq5 h ALA 4263Cb 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1sq5 h ALA 4263CO 0.00 0.10 0.00 1.57 0.00 0.00 0.00 179.25 180.92 1sq5 h LYS 4264N 0.00 0.00 -6.26 0.00 2.10 -1.61 -3.45 116.57 107.35 1sq5 h LYS 4264Ca -0.00 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.09 1sq5 h LYS 4264Cb 0.48 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.78 1sq5 h LYS 4264CO 0.01 0.00 -0.26 -0.51 -2.00 0.00 0.00 179.45 176.69 1sq5 s LEU 4265N -5.18 4.22 0.66 7.07 1.43 -0.73 -5.06 118.68 121.08 1sq5 s LEU 4265Ca 0.06 0.64 -0.16 0.00 -1.03 0.00 0.00 54.13 53.65 1sq5 s LEU 4265Cb 0.09 -3.39 0.00 0.00 0.03 0.00 0.00 46.19 42.92 1sq5 s LEU 4265CO 0.54 -0.01 1.14 0.42 0.23 0.00 0.00 176.35 178.67 1sq5 s THR 4266N -1.77 2.94 0.24 5.49 -4.23 -1.26 -4.74 115.64 112.31 1sq5 s THR 4266Ca 0.42 0.47 -0.06 0.00 -1.18 0.00 0.00 61.69 61.35 1sq5 s THR 4266Cb -0.12 -3.03 0.20 0.00 1.34 0.00 0.00 72.50 70.90 1sq5 s THR 4266CO 0.25 -0.24 1.72 0.50 -0.54 0.00 0.00 174.62 176.31 1sq5 h LYS 4267N 0.15 0.36 -0.45 3.99 3.64 -1.95 0.11 116.57 122.43 1sq5 h LYS 4267Ca -0.48 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 58.94 1sq5 h LYS 4267Cb 1.26 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.95 1sq5 h LYS 4267CO 0.53 0.24 0.15 0.93 -2.27 0.00 0.00 179.45 179.03 1sq5 h GLU 4268N 0.37 0.30 0.00 1.90 5.08 -2.00 0.30 114.58 120.54 1sq5 h GLU 4268Ca 0.39 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.61 1sq5 h GLU 4268Cb 0.59 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1sq5 h GLU 4268CO -0.42 0.20 -0.55 1.49 -1.00 0.00 0.00 179.01 178.74 1sq5 h GLU 4269N 0.31 0.00 -0.47 2.33 4.81 -1.70 -2.77 114.58 117.09 1sq5 h GLU 4269Ca 0.21 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.38 1sq5 h GLU 4269Cb 0.22 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1sq5 h GLU 4269CO -0.22 0.55 0.03 0.00 -0.73 0.00 0.00 179.01 178.63 1sq5 h ALA 4270N 1.45 1.16 -0.23 2.92 0.00 0.26 0.23 119.26 125.05 1sq5 h ALA 4270Ca -0.01 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1sq5 h ALA 4270Cb 1.14 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1sq5 h ALA 4270CO 0.07 0.55 -0.09 0.82 0.00 0.00 0.00 179.25 180.60 1sq5 h ILE 4271N 0.72 1.30 -0.60 0.00 2.04 -0.79 -1.18 117.51 119.00 1sq5 h ILE 4271Ca 0.15 -1.14 -0.04 0.00 1.00 0.00 0.00 64.86 64.83 1sq5 h ILE 4271Cb 0.40 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 1sq5 h ILE 4271CO 0.01 0.35 0.20 0.11 0.00 0.00 0.00 178.15 178.82 1sq5 h LYS 4272N 0.19 0.90 -0.05 2.37 1.57 -1.22 0.29 116.57 120.62 1sq5 h LYS 4272Ca 0.05 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1sq5 h LYS 4272Cb 0.57 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 1sq5 h LYS 4272CO 0.03 0.77 0.03 1.15 -0.57 0.00 0.00 179.45 180.85 1sq5 h THR 4273N 0.88 1.11 -0.52 -0.16 2.02 -0.83 -0.87 112.91 114.54 1sq5 h THR 4273Ca 0.20 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 67.10 1sq5 h THR 4273Cb 0.24 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 1sq5 h THR 4273CO -0.01 0.09 0.31 0.00 0.37 0.00 0.00 175.52 176.28 1sq5 h ALA 4274N 0.90 0.67 -0.52 6.16 0.00 -0.69 -1.18 119.26 124.60 1sq5 h ALA 4274Ca 0.02 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1sq5 h ALA 4274Cb 0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1sq5 h ALA 4274CO -0.00 0.01 0.34 1.98 0.00 0.00 0.00 179.25 181.58 1sq5 h MET 4275N 0.61 0.54 -0.18 0.00 -1.53 -0.16 -1.33 114.93 112.88 1sq5 h MET 4275Ca 0.21 -0.03 -0.20 0.00 -3.44 0.00 0.00 59.70 56.24 1sq5 h MET 4275Cb 0.03 -0.12 0.00 0.00 -0.55 0.00 0.00 31.60 30.96 1sq5 h MET 4275CO -0.10 0.36 -0.68 1.15 0.14 0.00 0.00 176.91 177.78 1sq5 h THR 4276N 0.56 1.30 -0.84 -0.77 2.02 -0.01 -1.82 112.91 113.34 1sq5 h THR 4276Ca 0.21 -1.92 -0.02 0.00 0.77 0.00 0.00 66.41 65.45 1sq5 h THR 4276Cb 0.15 1.89 -0.04 0.00 -1.74 0.00 0.00 68.15 68.41 1sq5 h THR 4276CO -0.06 0.61 0.44 -0.07 0.37 0.00 0.00 175.52 176.81 1sq5 h LEU 4277N 0.51 1.06 0.32 2.58 3.38 -0.58 -1.62 115.31 120.96 1sq5 h LEU 4277Ca -0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1sq5 h LEU 4277Cb 1.28 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1sq5 h LEU 4277CO 0.14 0.87 -0.16 -0.25 0.09 0.00 0.00 178.44 179.12 1sq5 h TRP 4278N 1.17 -0.43 -0.15 1.13 2.91 -1.05 -1.79 115.95 117.75 1sq5 h TRP 4278Ca 0.29 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.35 1sq5 h TRP 4278Cb 0.05 0.15 -0.04 0.00 -0.51 0.00 0.00 29.16 28.81 1sq5 h TRP 4278CO 0.01 -0.26 -0.12 0.87 -1.03 0.00 0.00 178.44 177.91 1sq5 h LYS 4279N -0.44 -0.13 0.00 2.65 1.57 -1.33 0.49 116.57 119.38 1sq5 h LYS 4279Ca -0.04 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1sq5 h LYS 4279Cb 0.34 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 1sq5 h LYS 4279CO 0.06 -0.09 -0.07 0.93 -0.57 0.00 0.00 179.45 179.72 1sq5 h GLU 4280N -0.14 0.00 0.00 3.15 5.08 -1.40 -3.25 114.58 118.03 1sq5 h GLU 4280Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1sq5 h GLU 4280Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1sq5 h GLU 4280CO -0.23 0.07 -0.03 -0.89 -1.00 0.00 0.00 179.01 176.92 1sq5 n ILE 4281N -3.12 0.34 -0.18 3.13 5.41 -0.70 -4.66 119.36 119.58 1sq5 n ILE 4281Ca 0.04 0.15 -0.09 0.00 1.00 0.00 0.00 62.75 63.84 1sq5 n ILE 4281Cb 0.55 -1.23 0.01 0.00 -0.71 0.00 0.00 39.64 38.26 1sq5 n ILE 4281CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 1sq5 h ASN 4282N -0.03 0.85 -0.19 4.38 2.35 -1.12 -1.38 115.58 120.44 1sq5 h ASN 4282Ca 0.00 -0.27 -0.15 0.00 -0.55 0.00 0.00 56.30 55.33 1sq5 h ASN 4282Cb 0.03 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 1sq5 h ASN 4282CO 0.00 0.91 -0.41 -0.25 -1.65 0.00 0.00 177.43 176.03 1sq5 h TRP 4283N 0.76 0.88 -0.63 1.19 7.01 -0.22 -0.60 115.95 124.35 1sq5 h TRP 4283Ca 0.16 -0.27 -0.05 0.00 2.11 0.00 0.00 58.89 60.84 1sq5 h TRP 4283Cb 0.44 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 27.29 1sq5 h TRP 4283CO 0.03 1.02 0.18 1.25 -2.79 0.00 0.00 178.44 178.14 1sq5 h LEU 4284N 0.60 0.93 -0.96 0.65 5.85 -1.57 -1.48 115.31 119.34 1sq5 h LEU 4284Ca 0.05 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.50 1sq5 h LEU 4284Cb 0.96 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1sq5 h LEU 4284CO 0.09 0.91 0.23 -1.13 -0.34 0.00 0.00 178.44 178.19 1sq5 h ASN 4285N 0.92 0.91 0.01 1.25 -1.24 -1.01 -0.92 115.58 115.49 1sq5 h ASN 4285Ca 0.20 -0.14 -0.00 0.00 0.71 0.00 0.00 56.30 57.07 1sq5 h ASN 4285Cb 0.32 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.13 1sq5 h ASN 4285CO -0.00 0.83 -0.00 0.25 -1.29 0.00 0.00 177.43 177.22 1sq5 h LEU 4286N 0.95 -0.01 -0.36 0.34 5.85 -0.46 0.19 115.31 121.81 1sq5 h LEU 4286Ca 0.22 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 1sq5 h LEU 4286Cb 0.24 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1sq5 h LEU 4286CO -0.01 0.10 0.00 0.11 -0.34 0.00 0.00 178.44 178.30 1sq5 h LYS 4287N -0.12 0.64 0.03 1.25 1.57 -1.07 0.36 116.57 119.24 1sq5 h LYS 4287Ca -0.00 -0.20 -0.25 0.00 -1.87 0.00 0.00 60.65 58.33 1sq5 h LYS 4287Cb 0.11 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1sq5 h LYS 4287CO 0.00 0.75 -1.27 1.96 -0.57 0.00 0.00 179.45 180.32 1sq5 h GLN 4288N 0.46 0.07 0.00 3.15 4.20 -1.19 -3.42 115.11 118.37 1sq5 h GLN 4288Ca 0.10 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1sq5 h GLN 4288Cb 0.46 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1sq5 h GLN 4288CO 0.02 0.93 -0.75 0.09 -0.67 0.00 0.00 178.83 178.45 1sq5 n ASN 4289N -3.32 3.73 -0.08 1.46 3.02 -0.01 -4.87 115.26 115.19 1sq5 n ASN 4289Ca -0.07 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.37 1sq5 n ASN 4289Cb 0.99 0.38 -0.05 0.00 -0.61 0.00 0.00 39.78 40.49 1sq5 n ASN 4289CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1sq5 n ILE 4290N -1.61 1.46 -0.27 2.41 5.41 -0.84 -4.44 119.36 121.47 1sq5 n ILE 4290Ca 0.00 0.12 0.14 0.00 1.00 0.00 0.00 62.75 64.01 1sq5 n ILE 4290Cb 0.37 -2.27 0.41 0.00 -0.71 0.00 0.00 39.64 37.44 1sq5 n ILE 4290CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1sq5 h LEU 4291N -1.00 0.60 -2.22 1.39 5.85 -0.55 -1.49 115.31 117.88 1sq5 h LEU 4291Ca -0.13 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1sq5 h LEU 4291Cb 0.82 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.78 1sq5 h LEU 4291CO -0.08 0.27 0.00 -0.65 -0.34 0.00 0.00 178.44 177.65 1sq5 h PRO 4292N 0.62 0.00 -0.01 5.25 0.11 -1.78 -2.10 132.00 134.10 1sq5 h PRO 4292Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 1sq5 h PRO 4292Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1sq5 h PRO 4292CO -0.22 0.00 -0.23 0.25 -0.21 0.00 0.00 178.00 177.58 1sq5 n THR 4293N -2.95 0.00 -0.28 -1.15 -2.24 -0.56 -4.43 114.28 102.67 1sq5 n THR 4293Ca -0.01 -0.10 0.06 0.00 -2.27 0.00 0.00 64.05 61.73 1sq5 n THR 4293Cb 0.15 0.26 0.21 0.00 -2.10 0.00 0.00 70.33 68.85 1sq5 n THR 4293CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1sq5 h ARG 4294N 0.96 0.52 0.00 -0.78 2.43 -1.46 -1.53 114.38 114.52 1sq5 h ARG 4294Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1sq5 h ARG 4294Cb 0.47 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1sq5 h ARG 4294CO 0.00 0.34 0.00 0.39 -1.51 0.00 0.00 179.97 179.19 1sq5 n GLU 4295N -4.94 0.68 0.00 0.20 4.71 -1.26 -2.19 120.64 117.84 1sq5 n GLU 4295Ca 0.16 0.00 0.12 0.00 -0.01 0.00 0.00 57.16 57.43 1sq5 n GLU 4295Cb 0.43 -1.32 0.17 0.00 -1.01 0.00 0.00 31.44 29.71 1sq5 n GLU 4295CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1sq5 n ARG 4296N -0.82 0.81 -2.60 3.49 1.74 -0.57 -4.96 116.66 113.75 1sq5 n ARG 4296Ca 0.10 -0.58 -0.33 0.00 -0.77 0.00 0.00 57.85 56.27 1sq5 n ARG 4296Cb 0.05 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 29.95 1sq5 n ARG 4296CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sq5 s ALA 4297N -2.60 2.98 0.15 7.54 0.00 -0.93 -4.97 121.76 123.93 1sq5 s ALA 4297Ca 0.19 0.41 -0.06 0.00 0.00 0.00 0.00 51.96 52.50 1sq5 s ALA 4297Cb 0.18 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 20.11 1sq5 s ALA 4297CO 0.60 -0.14 1.39 0.77 0.00 0.00 0.00 175.76 178.38 1sq5 h SER 4298N 1.49 0.68 -3.66 0.00 0.02 -1.20 -3.45 113.55 107.44 1sq5 h SER 4298Ca -0.48 -0.44 -0.24 0.00 -0.84 0.00 0.00 61.79 59.79 1sq5 h SER 4298Cb 1.19 -0.20 -0.29 0.00 0.14 0.00 0.00 62.40 63.24 1sq5 h SER 4298CO 0.60 1.20 -0.66 -0.22 -1.14 0.00 0.00 176.83 176.61 1sq5 s LEU 4299N -8.18 1.48 -0.22 5.07 0.20 -0.42 -0.79 118.68 115.82 1sq5 s LEU 4299Ca -0.08 0.13 -0.04 0.00 0.69 0.00 0.00 54.13 54.83 1sq5 s LEU 4299Cb 0.10 0.16 -0.01 0.00 -0.43 0.00 0.00 46.19 46.01 1sq5 s LEU 4299CO 0.87 -0.06 -0.03 -0.63 -0.29 0.00 0.00 176.35 176.21 1sq5 s ILE 4300N 0.41 3.52 -0.37 6.68 1.01 0.89 -0.54 121.20 132.81 1sq5 s ILE 4300Ca -0.03 -0.44 -0.10 0.00 0.00 0.00 0.00 60.65 60.08 1sq5 s ILE 4300Cb -0.05 -2.61 0.03 0.00 0.01 0.00 0.00 42.46 39.85 1sq5 s ILE 4300CO -0.01 0.41 0.18 -0.22 0.00 0.00 0.00 174.94 175.30 1sq5 s LEU 4301N 1.45 4.65 -0.32 2.97 2.96 -0.13 -1.17 118.68 129.09 1sq5 s LEU 4301Ca 0.05 -1.08 -0.13 0.00 -0.22 0.00 0.00 54.13 52.75 1sq5 s LEU 4301Cb -0.14 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 1sq5 s LEU 4301CO -0.02 -0.38 0.26 -0.89 -1.32 0.00 0.00 176.35 174.00 1sq5 s THR 4302N 1.50 5.26 0.28 3.68 2.01 -0.55 0.93 115.64 128.75 1sq5 s THR 4302Ca 0.01 0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.04 1sq5 s THR 4302Cb -0.20 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.60 1sq5 s THR 4302CO 0.05 0.06 0.43 -0.54 -0.69 0.00 0.00 174.62 173.93 1sq5 s LYS 4303N 1.82 3.46 0.00 4.92 1.02 0.17 -1.05 119.74 130.08 1sq5 s LYS 4303Ca 0.08 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 55.52 1sq5 s LYS 4303Cb -0.17 -2.80 0.00 0.00 -0.52 0.00 0.00 37.83 34.34 1sq5 s LYS 4303CO 0.11 0.32 0.00 -1.13 -0.92 0.00 0.00 175.35 173.73 1sq5 n SER 4304N -1.46 0.22 -4.37 2.83 3.41 0.13 -4.51 113.62 109.86 1sq5 n SER 4304Ca -0.07 -0.15 -0.51 0.00 -0.26 0.00 0.00 58.87 57.88 1sq5 n SER 4304Cb 0.56 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.47 1sq5 n SER 4304CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sq5 n ALA 4305N -3.00 -3.11 -1.70 7.33 0.00 -1.26 -0.72 120.51 118.05 1sq5 n ALA 4305Ca 0.00 0.49 -0.20 0.00 0.00 0.00 0.00 53.44 53.72 1sq5 n ALA 4305Cb 0.00 -1.64 -0.08 0.00 0.00 0.00 0.00 19.45 17.73 1sq5 n ALA 4305CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1sq5 n ASN 4306N 1.81 -5.52 -0.10 0.00 3.02 -1.26 -2.09 115.26 111.12 1sq5 n ASN 4306Ca 0.18 0.44 -0.01 0.00 -0.03 0.00 0.00 54.58 55.16 1sq5 n ASN 4306Cb 0.19 -4.78 -0.01 0.00 -0.61 0.00 0.00 39.78 34.57 1sq5 n ASN 4306CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1sq5 n HIS 4307N -2.62 0.00 -2.20 3.10 8.25 0.11 -4.98 115.22 116.88 1sq5 n HIS 4307Ca -0.21 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.83 1sq5 n HIS 4307Cb 0.67 -1.07 -0.03 0.00 1.12 0.00 0.00 29.99 30.69 1sq5 n HIS 4307CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sq5 s ALA 4308N -1.64 3.56 0.09 -1.41 0.00 -0.89 -4.61 121.76 116.86 1sq5 s ALA 4308Ca 0.00 1.10 -0.30 0.00 0.00 0.00 0.00 51.96 52.76 1sq5 s ALA 4308Cb 0.00 -3.51 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 1sq5 s ALA 4308CO 0.00 -0.58 1.11 0.08 0.00 0.00 0.00 175.76 176.37 1sq5 s VAL 4309N 0.81 4.20 -0.11 0.00 1.01 -1.26 0.17 120.40 125.22 1sq5 s VAL 4309Ca 0.62 1.67 0.04 0.00 0.00 0.00 0.00 61.98 64.32 1sq5 s VAL 4309Cb -0.36 -4.07 -0.06 0.00 0.00 0.00 0.00 36.38 31.89 1sq5 s VAL 4309CO 0.32 0.18 0.14 -1.84 0.00 0.00 0.00 175.10 173.91 1sq5 n GLU 4310N 3.39 3.02 -3.66 2.72 0.28 -0.22 -4.64 120.64 121.53 1sq5 n GLU 4310Ca 0.06 -0.02 -0.15 0.00 -0.16 0.00 0.00 57.16 56.89 1sq5 n GLU 4310Cb 0.47 -0.89 -0.08 0.00 1.43 0.00 0.00 31.44 32.37 1sq5 n GLU 4310CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1sq5 s GLU 4311N -1.83 0.76 -0.06 3.44 2.12 -1.17 -1.79 118.70 120.17 1sq5 s GLU 4311Ca 0.00 0.32 -0.00 0.00 0.36 0.00 0.00 54.97 55.65 1sq5 s GLU 4311Cb 0.03 0.36 0.02 0.00 0.26 0.00 0.00 34.13 34.80 1sq5 s GLU 4311CO 0.18 -0.18 -0.02 0.08 -0.54 0.00 0.00 175.26 174.78 1sq5 s VAL 4312N -0.64 0.47 -0.12 3.70 1.01 0.38 -1.49 120.40 123.72 1sq5 s VAL 4312Ca -0.07 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 61.93 1sq5 s VAL 4312Cb -0.03 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 35.80 1sq5 s VAL 4312CO 0.05 0.24 -0.23 -0.13 0.00 0.00 0.00 175.10 175.03 1sq5 s ARG 4313N 1.43 3.04 -0.07 2.72 0.52 -0.31 -0.85 118.95 125.41 1sq5 s ARG 4313Ca -0.03 -0.87 0.04 0.00 -0.52 0.00 0.00 55.73 54.36 1sq5 s ARG 4313Cb -0.13 -2.37 -0.00 0.00 0.52 0.00 0.00 34.95 32.97 1sq5 s ARG 4313CO -0.03 0.08 -0.21 -1.17 0.02 0.00 0.00 175.30 173.99 1sq5 s LEU 4314N 0.58 1.98 0.24 2.53 2.96 -0.57 -0.08 118.68 126.33 1sq5 s LEU 4314Ca -0.13 -0.47 -0.31 0.00 -0.22 0.00 0.00 54.13 53.00 1sq5 s LEU 4314Cb -0.17 -1.22 -0.13 0.00 0.50 0.00 0.00 46.19 45.17 1sq5 s LEU 4314CO 0.03 0.17 1.54 0.54 -1.32 0.00 0.00 176.35 177.31 1sq5 n ARG 4315N 3.31 2.38 0.00 1.98 5.12 0.03 0.48 116.66 129.96 1sq5 n ARG 4315Ca -0.19 0.85 0.07 0.00 -1.93 0.00 0.00 57.85 56.65 1sq5 n ARG 4315Cb 0.52 -2.59 0.39 0.00 -1.16 0.00 0.00 32.46 29.63 1sq5 n ARG 4315CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33