#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sq5 s THR 1010N 0.00 1.34 -2.00 2.03 -4.23 -1.26 -5.01 115.64 106.51 1sq5 s THR 1010Ca 0.00 -2.07 0.06 0.00 -1.18 0.00 0.00 61.69 58.50 1sq5 s THR 1010Cb 0.00 -2.47 0.17 0.00 1.34 0.00 0.00 72.50 71.54 1sq5 s THR 1010CO 0.00 -0.26 0.80 -2.65 -0.54 0.00 0.00 174.62 171.97 1sq5 n PRO 1011N -0.54 0.46 -5.07 3.99 -0.02 -1.26 -4.77 135.00 127.79 1sq5 n PRO 1011Ca -0.05 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.14 1sq5 n PRO 1011Cb 0.64 -1.20 -0.15 0.00 -0.02 0.00 0.00 33.50 32.77 1sq5 n PRO 1011CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1sq5 s TYR 1012N -2.00 2.16 0.23 6.00 1.51 -1.26 -0.88 117.35 123.12 1sq5 s TYR 1012Ca 0.09 -0.41 -0.22 0.00 -1.01 0.00 0.00 57.07 55.53 1sq5 s TYR 1012Cb 0.04 -1.36 -0.08 0.00 -0.11 0.00 0.00 41.96 40.45 1sq5 s TYR 1012CO 0.07 0.02 0.77 -0.51 -1.11 0.00 0.00 175.55 174.79 1sq5 s LEU 1013N -0.80 4.38 -0.02 -1.29 1.43 0.22 -4.85 118.68 117.75 1sq5 s LEU 1013Ca 0.10 1.53 0.07 0.00 -1.03 0.00 0.00 54.13 54.79 1sq5 s LEU 1013Cb -0.09 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.49 1sq5 s LEU 1013CO 0.00 0.04 -0.22 -1.58 0.23 0.00 0.00 176.35 174.82 1sq5 s GLN 1014N -1.86 1.79 -0.03 1.70 0.74 -1.26 -1.30 119.66 119.42 1sq5 s GLN 1014Ca 0.43 -0.79 0.00 0.00 0.05 0.00 0.00 55.36 55.05 1sq5 s GLN 1014Cb -0.18 -1.73 0.03 0.00 1.10 0.00 0.00 33.01 32.23 1sq5 s GLN 1014CO 0.22 0.47 0.00 -0.06 -0.55 0.00 0.00 175.29 175.38 1sq5 s PHE 1015N -0.52 0.35 0.81 1.67 0.40 -0.06 -5.00 117.98 115.63 1sq5 s PHE 1015Ca 0.09 -0.01 -0.10 0.00 -0.60 0.00 0.00 56.93 56.31 1sq5 s PHE 1015Cb -0.09 -0.46 0.12 0.00 0.51 0.00 0.00 43.02 43.10 1sq5 s PHE 1015CO -0.01 -0.15 1.14 0.16 0.70 0.00 0.00 175.22 177.06 1sq5 s ASP 1016N 1.17 4.12 0.19 1.36 1.47 -1.26 -0.69 116.67 123.04 1sq5 s ASP 1016Ca -0.08 0.30 -0.15 0.00 1.18 0.00 0.00 52.55 53.80 1sq5 s ASP 1016Cb -0.13 -0.67 0.18 0.00 -0.34 0.00 0.00 42.92 41.96 1sq5 s ASP 1016CO -0.02 -2.07 1.64 -0.09 0.68 0.00 0.00 175.17 175.31 1sq5 h ARG 1017N -1.00 -0.01 -0.49 2.11 2.43 -1.73 -1.01 114.38 114.68 1sq5 h ARG 1017Ca -0.43 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.73 1sq5 h ARG 1017Cb 1.28 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.81 1sq5 h ARG 1017CO 0.50 -0.01 0.28 -0.91 -1.51 0.00 0.00 179.97 178.33 1sq5 h ASN 1018N -0.01 0.61 -0.29 -3.80 2.35 -1.93 0.13 115.58 112.64 1sq5 h ASN 1018Ca 0.26 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1sq5 h ASN 1018Cb 0.41 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1sq5 h ASN 1018CO -0.57 0.51 0.18 1.56 -1.65 0.00 0.00 177.43 177.47 1sq5 h GLN 1019N 0.66 0.39 -0.60 0.81 4.20 -1.80 0.09 115.11 118.86 1sq5 h GLN 1019Ca 0.18 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 1sq5 h GLN 1019Cb 0.03 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 1sq5 h GLN 1019CO -0.03 0.27 0.24 2.35 -0.67 0.00 0.00 178.83 180.99 1sq5 h TRP 1020N 0.38 0.91 0.00 2.96 2.91 -0.91 -2.42 115.95 119.78 1sq5 h TRP 1020Ca 0.10 -0.07 -0.06 0.00 1.13 0.00 0.00 58.89 59.99 1sq5 h TRP 1020Cb -0.02 -0.27 -0.01 0.00 -0.51 0.00 0.00 29.16 28.35 1sq5 h TRP 1020CO -0.05 0.73 -0.31 0.00 -1.03 0.00 0.00 178.44 177.78 1sq5 h ALA 1021N 1.09 1.18 0.00 2.65 0.00 -0.50 -2.61 119.26 121.07 1sq5 h ALA 1021Ca 0.20 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1sq5 h ALA 1021Cb 0.20 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1sq5 h ALA 1021CO -0.02 0.39 -0.01 0.00 0.00 0.00 0.00 179.25 179.61 1sq5 h ALA 1022N 1.69 1.04 -0.00 0.00 0.00 -0.46 -2.70 119.26 118.84 1sq5 h ALA 1022Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sq5 h ALA 1022Cb 0.68 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1sq5 h ALA 1022CO 0.04 0.01 0.00 -0.07 0.00 0.00 0.00 179.25 179.23 1sq5 h LEU 1023N 0.00 0.00-10.27 0.00 4.07 -1.46 -3.43 115.31 104.21 1sq5 h LEU 1023Ca -0.00 0.00 -0.51 0.00 0.08 0.00 0.00 57.88 57.45 1sq5 h LEU 1023Cb 0.15 0.00 0.18 0.00 1.08 0.00 0.00 40.66 42.07 1sq5 h LEU 1023CO 0.00 0.00 0.22 -0.13 -1.08 0.00 0.00 178.44 177.45 1sq5 s ARG 1024N -4.71 1.08 -0.09 1.13 0.52 -1.02 -5.09 118.95 110.77 1sq5 s ARG 1024Ca -0.05 1.33 -0.13 0.00 -0.52 0.00 0.00 55.73 56.37 1sq5 s ARG 1024Cb 0.15 -1.75 -0.10 0.00 0.52 0.00 0.00 34.95 33.77 1sq5 s ARG 1024CO 0.57 -2.51 0.42 -0.44 0.02 0.00 0.00 175.30 173.36 1sq5 h ASP 1025N -1.77 -0.08 0.00 0.23 3.32 -1.91 -3.52 116.42 112.69 1sq5 h ASP 1025Ca -0.46 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.27 1sq5 h ASP 1025Cb 1.27 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1sq5 h ASP 1025CO 0.46 0.55 0.00 0.23 -1.72 0.00 0.00 179.24 178.76 1sq5 n MET 1029N -4.80 0.00 -5.00 3.56 0.00 -1.26 -5.15 117.12 104.47 1sq5 n MET 1029Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.36 1sq5 n MET 1029Cb 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.26 1sq5 n MET 1029CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1sq5 s LEU 1031N -1.39 2.12 0.00 4.03 1.02 -1.26 -5.26 118.68 117.93 1sq5 s LEU 1031Ca 0.00 -0.52 -0.15 0.00 0.02 0.00 0.00 54.13 53.48 1sq5 s LEU 1031Cb 0.00 -1.23 0.22 0.00 0.02 0.00 0.00 46.19 45.20 1sq5 s LEU 1031CO 0.00 0.26 1.30 -1.54 0.02 0.00 0.00 176.35 176.39 1sq5 n SER 1032N 2.07 0.27 -0.14 2.29 3.41 -1.26 -4.84 113.62 115.41 1sq5 n SER 1032Ca -0.16 -1.57 -0.11 0.00 -0.26 0.00 0.00 58.87 56.76 1sq5 n SER 1032Cb 0.52 -0.98 -0.01 0.00 -0.26 0.00 0.00 64.21 63.48 1sq5 n SER 1032CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1sq5 h GLU 1033N 0.00 0.85 -0.31 4.33 9.09 -2.05 -1.33 114.58 125.16 1sq5 h GLU 1033Ca -0.42 -0.35 -0.04 0.00 0.05 0.00 0.00 59.36 58.60 1sq5 h GLU 1033Cb 1.20 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 28.25 1sq5 h GLU 1033CO 0.31 0.99 0.04 -0.44 0.05 0.00 0.00 179.01 179.96 1sq5 h ASP 1034N 0.67 0.50 -0.38 3.06 5.19 -1.99 -2.53 116.42 120.94 1sq5 h ASP 1034Ca 0.10 -0.27 -0.06 0.00 -0.62 0.00 0.00 57.03 56.19 1sq5 h ASP 1034Cb 0.71 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.06 1sq5 h ASP 1034CO 0.05 0.64 0.06 -0.33 -3.12 0.00 0.00 179.24 176.54 1sq5 h GLU 1035N 0.34 0.72 -0.09 3.56 5.08 -1.91 -1.03 114.58 121.25 1sq5 h GLU 1035Ca 0.09 -0.16 -0.16 0.00 -1.00 0.00 0.00 59.36 58.13 1sq5 h GLU 1035Cb 0.36 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1sq5 h GLU 1035CO 0.01 0.70 -0.63 0.82 -1.00 0.00 0.00 179.01 178.90 1sq5 h ILE 1036N 0.69 1.37 -0.10 3.13 2.04 -1.18 -2.19 117.51 121.26 1sq5 h ILE 1036Ca 0.15 -2.00 -0.15 0.00 1.00 0.00 0.00 64.86 63.85 1sq5 h ILE 1036Cb 0.34 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 1sq5 h ILE 1036CO 0.01 0.60 -0.60 0.00 0.00 0.00 0.00 178.15 178.16 1sq5 h ALA 1037N 1.08 0.78 -0.41 1.87 0.00 -1.16 -2.31 119.26 119.11 1sq5 h ALA 1037Ca -0.01 -0.54 -0.14 0.00 0.00 0.00 0.00 54.91 54.22 1sq5 h ALA 1037Cb 1.16 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1sq5 h ALA 1037CO 0.10 0.72 -0.31 -0.09 0.00 0.00 0.00 179.25 179.67 1sq5 h ARG 1038N 0.26 0.92 -0.36 0.00 2.43 -1.05 -0.30 114.38 116.28 1sq5 h ARG 1038Ca -0.00 -0.44 -0.11 0.00 -0.81 0.00 0.00 59.98 58.62 1sq5 h ARG 1038Cb 1.12 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1sq5 h ARG 1038CO 0.10 1.09 -0.22 -0.07 -1.51 0.00 0.00 179.97 179.36 1sq5 h LEU 1039N 0.77 0.70 -0.52 3.80 3.38 -1.31 -1.20 115.31 120.93 1sq5 h LEU 1039Ca 0.08 -0.24 -0.16 0.00 0.09 0.00 0.00 57.88 57.64 1sq5 h LEU 1039Cb 0.89 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1sq5 h LEU 1039CO 0.08 0.91 -0.65 0.11 0.09 0.00 0.00 178.44 178.98 1sq5 h LYS 1040N 0.61 0.36 0.00 1.13 1.57 -1.28 -2.44 116.57 116.52 1sq5 h LYS 1040Ca 0.09 -0.27 -0.04 0.00 -1.87 0.00 0.00 60.65 58.56 1sq5 h LYS 1040Cb 0.70 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1sq5 h LYS 1040CO 0.05 0.89 -0.18 0.78 -0.57 0.00 0.00 179.45 180.42 1sq5 h GLY 1041N 1.33 0.00 0.60 3.86 0.00 -0.65 -2.38 103.07 105.83 1sq5 h GLY 1041Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 1sq5 h GLY 1041CO 0.11 0.00 -0.00 -2.22 0.00 0.00 0.00 176.54 174.42 1sq5 h ILE 1042N 0.00 1.33 -1.38 2.60 2.04 -0.77 -3.44 117.51 117.89 1sq5 h ILE 1042Ca -0.00 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 64.85 1sq5 h ILE 1042Cb 0.33 1.97 -0.25 0.00 -0.74 0.00 0.00 36.82 38.13 1sq5 h ILE 1042CO 0.02 0.25 -0.39 0.21 0.00 0.00 0.00 178.15 178.25 1sq5 s ASN 1043N -5.63 -0.66 0.64 1.72 3.84 -0.99 -5.02 114.94 108.84 1sq5 s ASN 1043Ca -0.15 0.38 0.33 0.00 0.21 0.00 0.00 52.86 53.63 1sq5 s ASN 1043Cb 0.02 1.66 1.81 0.00 -0.55 0.00 0.00 41.25 44.19 1sq5 s ASN 1043CO 0.68 -0.29 2.06 1.05 -2.79 0.00 0.00 177.10 177.80 1sq5 h GLU 1044N 8.08 0.00 -0.02 0.43 -0.00 -1.71 0.19 114.58 121.55 1sq5 h GLU 1044Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.20 1sq5 h GLU 1044Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.91 1sq5 h GLU 1044CO 0.25 0.00 -0.04 -0.25 -0.00 0.00 0.00 179.01 178.96 1sq5 n ASP 1045N -3.21 1.72 -4.67 3.06 8.00 -1.26 -4.90 116.55 115.29 1sq5 n ASP 1045Ca -0.01 -1.51 -0.43 0.00 0.71 0.00 0.00 54.79 53.56 1sq5 n ASP 1045Cb 0.32 0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 41.43 1sq5 n ASP 1045CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1sq5 s LEU 1046N -2.07 4.25 -0.04 0.64 2.96 0.67 -4.98 118.68 120.10 1sq5 s LEU 1046Ca 0.34 1.87 -0.30 0.00 -0.22 0.00 0.00 54.13 55.82 1sq5 s LEU 1046Cb 0.21 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 1sq5 s LEU 1046CO 0.36 -0.72 1.25 -0.55 -1.32 0.00 0.00 176.35 175.37 1sq5 s SER 1047N 1.96 7.00 0.42 3.68 0.15 -1.26 -4.93 113.70 120.73 1sq5 s SER 1047Ca 0.59 1.90 0.16 0.00 0.70 0.00 0.00 55.95 59.30 1sq5 s SER 1047Cb -0.26 -2.56 0.94 0.00 -1.71 0.00 0.00 66.02 62.44 1sq5 s SER 1047CO 0.21 -0.61 1.91 -0.07 1.20 0.00 0.00 173.24 175.88 1sq5 h LEU 1048N 8.16 0.00 -0.35 3.45 3.38 -1.99 -1.09 115.31 126.87 1sq5 h LEU 1048Ca -0.35 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.42 1sq5 h LEU 1048Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1sq5 h LEU 1048CO 0.88 0.27 -0.80 -0.08 0.09 0.00 0.00 178.44 178.80 1sq5 h GLU 1049N 0.00 0.32 -0.40 1.13 4.81 -1.99 -1.37 114.58 117.08 1sq5 h GLU 1049Ca -0.00 -0.30 -0.05 0.00 -0.13 0.00 0.00 59.36 58.87 1sq5 h GLU 1049Cb 0.52 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1sq5 h GLU 1049CO 0.03 0.97 0.04 1.49 -0.73 0.00 0.00 179.01 180.82 1sq5 h GLU 1050N 0.20 0.69 -0.14 1.92 4.57 -1.77 -0.64 114.58 119.41 1sq5 h GLU 1050Ca -0.04 -0.20 -0.00 0.00 -1.18 0.00 0.00 59.36 57.94 1sq5 h GLU 1050Cb 1.40 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.91 1sq5 h GLU 1050CO 0.13 0.75 0.08 0.28 -1.18 0.00 0.00 179.01 179.08 1sq5 h VAL 1051N 0.53 1.06 -0.52 0.32 2.07 -1.11 0.24 116.25 118.84 1sq5 h VAL 1051Ca 0.12 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 1sq5 h VAL 1051Cb 0.41 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1sq5 h VAL 1051CO 0.01 0.05 0.09 0.00 0.02 0.00 0.00 177.57 177.75 1sq5 h ALA 1052N 1.02 1.18 0.00 1.67 0.00 -1.12 -0.15 119.26 121.87 1sq5 h ALA 1052Ca 0.05 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1sq5 h ALA 1052Cb 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1sq5 h ALA 1052CO -0.01 0.55 -1.43 0.39 0.00 0.00 0.00 179.25 178.75 1sq5 n GLU 1053N -4.26 0.63 -0.00 0.00 1.02 -0.26 -4.48 120.64 113.28 1sq5 n GLU 1053Ca 0.03 0.12 -0.04 0.00 -0.02 0.00 0.00 57.16 57.26 1sq5 n GLU 1053Cb 0.25 -1.76 -0.01 0.00 -0.02 0.00 0.00 31.44 29.89 1sq5 n GLU 1053CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1sq5 n ILE 1054N -2.74 1.10 0.12 -3.67 2.08 0.84 -4.06 119.36 113.04 1sq5 n ILE 1054Ca -0.08 0.22 -0.02 0.00 0.56 0.00 0.00 62.75 63.43 1sq5 n ILE 1054Cb 0.74 -1.76 0.15 0.00 -0.75 0.00 0.00 39.64 38.01 1sq5 n ILE 1054CO 0.00 0.00 0.00 1.88 0.56 0.00 0.00 176.55 178.99 1sq5 h TYR 1055N -0.29 0.05 -0.06 1.39 -1.99 -1.42 -2.35 116.97 112.31 1sq5 h TYR 1055Ca -0.05 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.65 1sq5 h TYR 1055Cb 0.51 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 39.23 1sq5 h TYR 1055CO -0.10 0.67 -0.00 -0.07 -0.00 0.00 0.00 178.16 178.66 1sq5 h LEU 1056N 0.03 0.11 -1.31 3.88 3.38 -1.26 -0.26 115.31 119.87 1sq5 h LEU 1056Ca -0.01 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1sq5 h LEU 1056Cb 1.14 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 1sq5 h LEU 1056CO 0.09 0.39 0.41 -0.65 0.09 0.00 0.00 178.44 178.77 1sq5 h PRO 1057N -0.18 0.88 -0.66 1.13 0.11 -1.80 -0.70 132.00 130.77 1sq5 h PRO 1057Ca 0.02 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.98 1sq5 h PRO 1057Cb 0.34 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.23 1sq5 h PRO 1057CO 0.00 0.60 0.09 1.25 -0.21 0.00 0.00 178.00 179.74 1sq5 h LEU 1058N 0.90 1.06 -1.00 2.35 5.85 -1.23 -0.37 115.31 122.87 1sq5 h LEU 1058Ca 0.24 -0.27 -0.10 0.00 0.84 0.00 0.00 57.88 58.59 1sq5 h LEU 1058Cb -0.07 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.67 1sq5 h LEU 1058CO -0.05 1.05 -0.41 0.77 -0.34 0.00 0.00 178.44 179.46 1sq5 h SER 1059N 1.02 0.18 -0.15 1.25 4.64 -0.29 -1.34 113.55 118.86 1sq5 h SER 1059Ca 0.20 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.41 1sq5 h SER 1059Cb 0.46 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1sq5 h SER 1059CO 0.02 0.58 -0.02 0.03 -0.87 0.00 0.00 176.83 176.57 1sq5 h ARG 1060N 0.15 0.28 -0.34 4.77 3.08 -0.67 -1.23 114.38 120.42 1sq5 h ARG 1060Ca 0.01 -0.10 0.06 0.00 0.07 0.00 0.00 59.98 60.02 1sq5 h ARG 1060Cb 0.80 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.78 1sq5 h ARG 1060CO 0.06 0.53 0.02 1.25 -1.07 0.00 0.00 179.97 180.77 1sq5 h LEU 1061N -0.00 -0.08 -0.83 3.04 5.85 -0.78 -1.41 115.31 121.10 1sq5 h LEU 1061Ca 0.04 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.86 1sq5 h LEU 1061Cb 0.42 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 1sq5 h LEU 1061CO 0.01 -0.01 0.53 -0.07 -0.34 0.00 0.00 178.44 178.56 1sq5 h LEU 1062N 0.13 0.88 -1.39 2.25 3.38 -1.15 -1.81 115.31 117.60 1sq5 h LEU 1062Ca 0.16 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1sq5 h LEU 1062Cb 0.21 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1sq5 h LEU 1062CO -0.25 0.60 0.27 -1.13 0.09 0.00 0.00 178.44 178.03 1sq5 h ASN 1063N 1.03 0.61 -0.62 -0.43 -0.73 -0.30 -0.01 115.58 115.13 1sq5 h ASN 1063Ca 0.33 -0.04 -0.06 0.00 1.87 0.00 0.00 56.30 58.40 1sq5 h ASN 1063Cb 0.01 -0.16 -0.03 0.00 0.27 0.00 0.00 38.32 38.42 1sq5 h ASN 1063CO -0.11 0.50 0.17 -0.26 -0.37 0.00 0.00 177.43 177.35 1sq5 h PHE 1064N 0.70 1.03 -0.49 0.67 0.05 -0.43 0.30 116.94 118.76 1sq5 h PHE 1064Ca 0.18 -0.12 -0.11 0.00 3.82 0.00 0.00 57.97 61.75 1sq5 h PHE 1064Cb 0.02 -0.29 -0.02 0.00 2.00 0.00 0.00 35.95 37.66 1sq5 h PHE 1064CO 0.00 0.86 -0.11 1.88 -0.18 0.00 0.00 178.31 180.75 1sq5 h TYR 1065N 0.90 1.06 -0.25 -0.55 -1.99 -0.98 -1.02 116.97 114.14 1sq5 h TYR 1065Ca 0.20 -0.23 -0.04 0.00 2.00 0.00 0.00 58.73 60.66 1sq5 h TYR 1065Cb 0.33 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 38.79 1sq5 h TYR 1065CO 0.02 1.02 -0.00 0.82 -0.00 0.00 0.00 178.16 180.02 1sq5 h ILE 1066N 0.80 1.26 -0.06 -2.88 2.04 -0.77 -1.66 117.51 116.23 1sq5 h ILE 1066Ca 0.12 -0.91 0.01 0.00 1.00 0.00 0.00 64.86 65.09 1sq5 h ILE 1066Cb 0.67 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 1sq5 h ILE 1066CO 0.05 0.28 -0.00 0.28 0.00 0.00 0.00 178.15 178.76 1sq5 h SER 1067N 0.21 -0.03 -0.92 1.72 0.02 -0.36 0.15 113.55 114.34 1sq5 h SER 1067Ca 0.07 0.01 0.13 0.00 -0.84 0.00 0.00 61.79 61.17 1sq5 h SER 1067Cb 0.42 0.03 -0.09 0.00 0.14 0.00 0.00 62.40 62.89 1sq5 h SER 1067CO 0.01 -0.01 0.54 -1.28 -1.14 0.00 0.00 176.83 174.96 1sq5 h SER 1068N 0.02 0.75 -0.38 3.07 0.87 -1.10 -0.24 113.55 116.53 1sq5 h SER 1068Ca 0.03 0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.60 1sq5 h SER 1068Cb 0.04 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1sq5 h SER 1068CO -0.05 0.36 0.03 -1.13 -0.53 0.00 0.00 176.83 175.52 1sq5 h ASN 1069N 0.82 0.63 -0.64 6.23 -0.73 -0.45 -1.48 115.58 119.95 1sq5 h ASN 1069Ca 0.48 -0.28 -0.03 0.00 1.87 0.00 0.00 56.30 58.34 1sq5 h ASN 1069Cb 0.57 -0.17 -0.03 0.00 0.27 0.00 0.00 38.32 38.96 1sq5 h ASN 1069CO -0.30 0.75 0.29 -0.07 -0.37 0.00 0.00 177.43 177.73 1sq5 h LEU 1070N 0.48 0.86 -0.51 0.34 3.38 0.11 -1.27 115.31 118.70 1sq5 h LEU 1070Ca 0.11 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 1sq5 h LEU 1070Cb 0.41 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1sq5 h LEU 1070CO 0.01 0.77 -0.05 0.03 0.09 0.00 0.00 178.44 179.29 1sq5 h ARG 1071N 0.89 0.94 -0.13 1.13 3.08 -1.00 -2.31 114.38 116.97 1sq5 h ARG 1071Ca 0.22 -0.33 0.04 0.00 0.07 0.00 0.00 59.98 59.98 1sq5 h ARG 1071Cb 0.15 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 1sq5 h ARG 1071CO -0.02 0.98 -0.11 -0.09 -1.07 0.00 0.00 179.97 179.66 1sq5 h ARG 1072N 0.80 -0.12 -0.62 0.04 1.12 -1.03 -1.87 114.38 112.71 1sq5 h ARG 1072Ca 0.14 0.01 0.12 0.00 -1.11 0.00 0.00 59.98 59.14 1sq5 h ARG 1072Cb 0.60 0.03 -0.09 0.00 -0.01 0.00 0.00 29.97 30.49 1sq5 h ARG 1072CO 0.04 -0.08 0.12 0.37 -3.11 0.00 0.00 179.97 177.31 1sq5 h GLN 1073N -0.12 0.23 -0.45 0.20 -0.00 -0.99 0.11 115.11 114.09 1sq5 h GLN 1073Ca 0.09 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.71 1sq5 h GLN 1073Cb 0.25 -0.05 -0.02 0.00 0.00 0.00 0.00 27.48 27.65 1sq5 h GLN 1073CO -0.21 0.15 0.22 0.00 0.00 0.00 0.00 178.83 179.00 1sq5 h ALA 1074N 1.50 0.58 -0.70 3.38 0.00 -0.88 0.26 119.26 123.40 1sq5 h ALA 1074Ca 0.33 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1sq5 h ALA 1074Cb 0.50 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1sq5 h ALA 1074CO -0.43 0.14 0.42 0.28 0.00 0.00 0.00 179.25 179.65 1sq5 h VAL 1075N 0.58 1.20 -0.06 0.00 2.07 -0.46 -2.24 116.25 117.35 1sq5 h VAL 1075Ca 0.15 -0.46 -0.14 0.00 0.82 0.00 0.00 66.70 67.08 1sq5 h VAL 1075Cb 0.11 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1sq5 h VAL 1075CO -0.02 0.21 -0.58 -0.07 0.02 0.00 0.00 177.57 177.13 1sq5 h LEU 1076N 0.96 0.20 -0.92 2.57 3.38 -0.45 -2.49 115.31 118.56 1sq5 h LEU 1076Ca 0.25 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1sq5 h LEU 1076Cb -0.02 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1sq5 h LEU 1076CO -0.05 0.74 0.26 -0.08 0.09 0.00 0.00 178.44 179.40 1sq5 h GLU 1077N 0.13 1.05 -0.09 1.13 4.81 0.00 0.25 114.58 121.87 1sq5 h GLU 1077Ca -0.00 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.01 1sq5 h GLU 1077Cb 1.06 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.27 1sq5 h GLU 1077CO 0.09 0.86 -0.04 0.37 -0.73 0.00 0.00 179.01 179.56 1sq5 h GLN 1078N 1.02 0.18 -0.15 1.92 4.15 -1.29 -0.09 115.11 120.84 1sq5 h GLN 1078Ca 0.23 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 1sq5 h GLN 1078Cb 0.22 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 1sq5 h GLN 1078CO -0.02 0.54 0.07 0.35 -1.93 0.00 0.00 178.83 177.84 1sq5 h PHE 1079N -0.18 0.23 0.00 3.99 3.57 -1.15 -3.02 116.94 120.38 1sq5 h PHE 1079Ca 0.02 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1sq5 h PHE 1079Cb 0.48 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.15 1sq5 h PHE 1079CO 0.07 0.29 0.00 1.28 -2.23 0.00 0.00 178.31 177.71 1sq5 n LEU 1080N -4.88 0.48 -1.99 0.59 4.77 0.86 -4.93 117.00 111.90 1sq5 n LEU 1080Ca -0.05 0.55 -0.19 0.00 -0.03 0.00 0.00 56.01 56.29 1sq5 n LEU 1080Cb 0.11 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.77 1sq5 n LEU 1080CO 0.35 -0.12 -0.23 0.61 -1.33 0.00 0.00 177.39 176.66 1sq5 n GLY 1081N 1.32 0.19 3.94 -0.72 0.00 -0.07 -4.99 105.19 104.86 1sq5 n GLY 1081Ca 0.06 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1sq5 n GLY 1081CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sq5 s THR 1082N -2.89 2.00 -0.17 2.61 -4.23 -1.10 -5.04 115.64 106.83 1sq5 s THR 1082Ca 0.00 -0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.48 1sq5 s THR 1082Cb 0.00 -2.98 -0.10 0.00 1.34 0.00 0.00 72.50 70.76 1sq5 s THR 1082CO 0.00 0.00 -0.17 -0.46 -0.54 0.00 0.00 174.62 173.45 1sq5 n ASN 1083N -3.80 2.38 -3.86 3.99 0.23 -1.26 -4.90 115.26 108.04 1sq5 n ASN 1083Ca 0.16 -0.02 -0.12 0.00 -0.53 0.00 0.00 54.58 54.07 1sq5 n ASN 1083Cb 0.59 -0.32 -0.13 0.00 -2.08 0.00 0.00 39.78 37.84 1sq5 n ASN 1083CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 1sq5 s GLN 1085N -2.33 0.12 -0.11 -3.83 0.74 -1.26 -5.07 119.66 107.92 1sq5 s GLN 1085Ca -0.23 0.03 -0.20 0.00 0.05 0.00 0.00 55.36 55.01 1sq5 s GLN 1085Cb 0.07 0.05 -0.04 0.00 1.10 0.00 0.00 33.01 34.19 1sq5 s GLN 1085CO 0.37 -0.02 0.56 -0.98 -0.55 0.00 0.00 175.29 174.67 1sq5 s ARG 1086N -0.12 4.36 -0.12 1.67 1.04 -1.26 -5.06 118.95 119.46 1sq5 s ARG 1086Ca -0.02 0.60 0.03 0.00 -1.04 0.00 0.00 55.73 55.30 1sq5 s ARG 1086Cb -0.01 -3.45 0.01 0.00 -2.04 0.00 0.00 34.95 29.45 1sq5 s ARG 1086CO 0.00 0.09 -0.21 0.42 -0.04 0.00 0.00 175.30 175.57 1sq5 s ILE 1087N 0.79 1.90 0.33 4.99 1.09 -1.26 -4.79 121.20 124.25 1sq5 s ILE 1087Ca 0.30 -0.90 -0.29 0.00 -1.10 0.00 0.00 60.65 58.66 1sq5 s ILE 1087Cb -0.16 -1.68 -0.12 0.00 -1.06 0.00 0.00 42.46 39.44 1sq5 s ILE 1087CO 0.13 0.52 1.43 -2.65 -0.10 0.00 0.00 174.94 174.27 1sq5 n PRO 1088N 3.91 2.38 -2.88 2.79 -0.02 -1.26 -4.97 135.00 134.95 1sq5 n PRO 1088Ca -0.20 0.84 -0.40 0.00 -2.02 0.00 0.00 63.50 61.72 1sq5 n PRO 1088Cb 0.52 -2.52 -0.05 0.00 -0.02 0.00 0.00 33.50 31.44 1sq5 n PRO 1088CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1sq5 s TYR 1089N -0.72 3.76 -0.10 6.00 5.04 -0.56 -4.90 117.35 125.88 1sq5 s TYR 1089Ca 0.58 1.60 0.04 0.00 -2.44 0.00 0.00 57.07 56.86 1sq5 s TYR 1089Cb -0.54 -2.92 0.00 0.00 0.35 0.00 0.00 41.96 38.85 1sq5 s TYR 1089CO 0.58 0.24 -0.24 0.42 -1.34 0.00 0.00 175.55 175.22 1sq5 s ILE 1090N -0.02 2.03 -0.13 3.14 1.01 -1.26 -0.98 121.20 124.99 1sq5 s ILE 1090Ca 0.42 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 60.08 1sq5 s ILE 1090Cb -0.22 -1.76 0.00 0.00 0.01 0.00 0.00 42.46 40.50 1sq5 s ILE 1090CO 0.26 0.55 -0.19 -0.63 0.00 0.00 0.00 174.94 174.93 1sq5 s ILE 1091N 0.34 2.36 0.15 2.92 1.01 0.11 -0.81 121.20 127.28 1sq5 s ILE 1091Ca -0.19 -0.89 0.07 0.00 0.00 0.00 0.00 60.65 59.64 1sq5 s ILE 1091Cb -0.18 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 1sq5 s ILE 1091CO 0.09 0.54 0.00 -0.94 0.00 0.00 0.00 174.94 174.63 1sq5 s SER 1092N 0.61 4.84 -0.13 3.58 1.04 -0.40 0.46 113.70 123.72 1sq5 s SER 1092Ca -0.11 -0.34 -0.01 0.00 0.48 0.00 0.00 55.95 55.97 1sq5 s SER 1092Cb -0.16 -1.06 0.04 0.00 0.10 0.00 0.00 66.02 64.93 1sq5 s SER 1092CO 0.03 0.11 -0.01 -0.63 0.98 0.00 0.00 173.24 173.72 1sq5 s ILE 1093N -1.61 0.63 0.49 -1.02 1.01 0.24 -0.97 121.20 119.98 1sq5 s ILE 1093Ca 0.27 -0.24 0.05 0.00 0.00 0.00 0.00 60.65 60.73 1sq5 s ILE 1093Cb -0.10 -0.86 -0.00 0.00 0.01 0.00 0.00 42.46 41.50 1sq5 s ILE 1093CO 0.18 0.13 0.26 0.00 0.00 0.00 0.00 174.94 175.52 1sq5 s ALA 1094N 1.85 4.10 0.00 9.38 0.00 0.11 -1.28 121.76 135.91 1sq5 s ALA 1094Ca 0.03 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.59 1sq5 s ALA 1094Cb -0.14 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.47 1sq5 s ALA 1094CO -0.07 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.83 1sq5 n GLY 1095N -1.50 3.11 3.63 0.00 0.00 -1.26 -0.66 105.19 108.51 1sq5 n GLY 1095Ca -0.04 -1.78 -0.34 0.00 0.00 0.00 0.00 46.02 43.86 1sq5 n GLY 1095CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sq5 n SER 1096N 0.00 0.41 -4.76 1.61 2.88 -1.26 -4.30 113.62 108.20 1sq5 n SER 1096Ca 0.00 0.58 -0.41 0.00 -1.33 0.00 0.00 58.87 57.71 1sq5 n SER 1096Cb 0.00 -1.43 -0.02 0.00 -0.75 0.00 0.00 64.21 62.01 1sq5 n SER 1096CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1sq5 s VAL 1097N -2.07 2.36 -0.19 2.46 1.01 -1.26 -2.06 120.40 120.64 1sq5 s VAL 1097Ca 0.71 0.32 0.00 0.00 0.00 0.00 0.00 61.98 63.01 1sq5 s VAL 1097Cb -0.30 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1sq5 s VAL 1097CO 0.53 0.06 0.00 0.00 0.00 0.00 0.00 175.10 175.69 1sq5 n ALA 1098N 1.71 -0.03 0.18 5.51 0.00 -1.26 -4.89 120.51 121.73 1sq5 n ALA 1098Ca 0.05 0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.59 1sq5 n ALA 1098Cb 0.39 -0.67 0.12 0.00 0.00 0.00 0.00 19.45 19.29 1sq5 n ALA 1098CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1sq5 h VAL 1099N 0.00 0.49 0.00 0.00 3.04 -1.77 -3.42 116.25 114.59 1sq5 h VAL 1099Ca -0.04 -1.65 0.00 0.00 -1.01 0.00 0.00 66.70 64.01 1sq5 h VAL 1099Cb 0.39 2.21 0.00 0.00 -2.01 0.00 0.00 31.29 31.88 1sq5 h VAL 1099CO 0.05 0.27 0.00 0.61 -1.01 0.00 0.00 177.57 177.50 1sq5 n GLY 1100N 1.10 1.98 0.15 3.17 0.00 -1.26 -4.97 105.19 105.35 1sq5 n GLY 1100Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1sq5 n GLY 1100CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sq5 h LYS 1101N 0.00 0.43 -0.68 1.61 1.57 -1.91 -0.48 116.57 117.11 1sq5 h LYS 1101Ca 0.00 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1sq5 h LYS 1101Cb 0.00 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1sq5 h LYS 1101CO 0.00 0.42 0.37 1.03 -0.57 0.00 0.00 179.45 180.70 1sq5 h SER 1102N 0.34 0.86 -0.20 0.86 0.87 -1.96 0.12 113.55 114.43 1sq5 h SER 1102Ca 0.10 -0.10 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 1sq5 h SER 1102Cb 0.14 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1sq5 h SER 1102CO -0.01 0.71 -0.06 0.74 -0.53 0.00 0.00 176.83 177.68 1sq5 h THR 1103N 0.94 1.29 -0.39 2.23 2.02 -1.95 -2.02 112.91 115.03 1sq5 h THR 1103Ca 0.24 -1.06 0.02 0.00 0.77 0.00 0.00 66.41 66.38 1sq5 h THR 1103Cb 0.05 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 1sq5 h THR 1103CO -0.04 0.32 0.22 0.74 0.37 0.00 0.00 175.52 177.13 1sq5 h THR 1104N 0.11 1.02 0.08 3.16 2.02 -0.82 -0.22 112.91 118.26 1sq5 h THR 1104Ca 0.05 -0.15 0.01 0.00 0.77 0.00 0.00 66.41 67.09 1sq5 h THR 1104Cb 0.51 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1sq5 h THR 1104CO 0.02 0.08 -0.10 0.00 0.37 0.00 0.00 175.52 175.89 1sq5 h ALA 1105N 1.18 -0.18 -0.42 6.16 0.00 -0.75 -0.55 119.26 124.70 1sq5 h ALA 1105Ca 0.16 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1sq5 h ALA 1105Cb 0.03 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1sq5 h ALA 1105CO -0.09 -0.62 0.07 0.00 0.00 0.00 0.00 179.25 178.62 1sq5 h ARG 1106N -0.22 0.65 -0.18 0.00 3.08 -1.15 0.15 114.38 116.71 1sq5 h ARG 1106Ca 0.01 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 1sq5 h ARG 1106Cb 0.22 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1sq5 h ARG 1106CO -0.05 0.61 0.00 0.28 -1.07 0.00 0.00 179.97 179.75 1sq5 h VAL 1107N 0.62 1.25 -0.32 2.04 2.07 -0.77 -2.16 116.25 118.98 1sq5 h VAL 1107Ca 0.14 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 1sq5 h VAL 1107Cb 0.28 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1sq5 h VAL 1107CO 0.00 0.26 0.02 -0.07 0.02 0.00 0.00 177.57 177.80 1sq5 h LEU 1108N 0.08 0.45 -0.54 2.57 3.38 -0.65 -0.75 115.31 119.86 1sq5 h LEU 1108Ca 0.05 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1sq5 h LEU 1108Cb 0.38 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1sq5 h LEU 1108CO 0.01 0.51 0.20 -0.61 0.09 0.00 0.00 178.44 178.64 1sq5 h GLN 1109N 0.47 0.82 -0.05 1.13 4.15 -0.54 -0.36 115.11 120.73 1sq5 h GLN 1109Ca 0.11 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 1sq5 h GLN 1109Cb 0.29 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.85 1sq5 h GLN 1109CO 0.01 0.73 0.00 0.00 -1.93 0.00 0.00 178.83 177.64 1sq5 h ALA 1110N 1.05 0.06 -0.50 3.38 0.00 -0.84 -2.95 119.26 119.46 1sq5 h ALA 1110Ca 0.18 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1sq5 h ALA 1110Cb 0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1sq5 h ALA 1110CO -0.01 -0.28 0.08 -0.07 0.00 0.00 0.00 179.25 178.97 1sq5 h LEU 1111N -0.20 0.80 -2.36 0.00 3.38 -1.08 -2.66 115.31 113.20 1sq5 h LEU 1111Ca 0.01 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 1sq5 h LEU 1111Cb 0.31 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1sq5 h LEU 1111CO 0.00 0.86 -0.02 -0.07 0.09 0.00 0.00 178.44 179.30 1sq5 h LEU 1112N 0.71 0.00 -0.48 1.67 3.38 -1.10 -1.05 115.31 118.43 1sq5 h LEU 1112Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1sq5 h LEU 1112Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1sq5 h LEU 1112CO 0.01 0.02 0.00 -1.20 0.09 0.00 0.00 178.44 177.36 1sq5 n SER 1113N -3.21 0.51 0.21 -0.43 7.64 -1.00 -3.14 113.62 114.20 1sq5 n SER 1113Ca -0.02 0.62 0.05 0.00 1.01 0.00 0.00 58.87 60.53 1sq5 n SER 1113Cb 0.17 -0.73 0.47 0.00 -1.01 0.00 0.00 64.21 63.10 1sq5 n SER 1113CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1sq5 h ARG 1114N 0.00 0.00 -6.48 1.43 3.08 -1.28 -3.43 114.38 107.71 1sq5 h ARG 1114Ca 0.00 -0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 1sq5 h ARG 1114Cb 0.36 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1sq5 h ARG 1114CO 0.00 0.23 0.34 -1.58 -1.07 0.00 0.00 179.97 177.88 1sq5 s TRP 1115N -4.54 3.75 0.55 3.04 0.51 -1.19 -4.94 118.94 116.12 1sq5 s TRP 1115Ca -0.04 1.72 0.23 0.00 -2.12 0.00 0.00 56.10 55.90 1sq5 s TRP 1115Cb 0.15 -3.04 1.44 0.00 -0.81 0.00 0.00 33.47 31.21 1sq5 s TRP 1115CO 0.70 0.15 2.08 -1.35 -0.51 0.00 0.00 176.95 178.02 1sq5 h PRO 1116N 5.99 0.00 -0.20 4.98 0.11 -1.91 -2.09 132.00 138.88 1sq5 h PRO 1116Ca -0.42 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.56 1sq5 h PRO 1116Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1sq5 h PRO 1116CO 0.73 0.00 -0.43 0.93 -0.21 0.00 0.00 178.00 179.02 1sq5 h GLU 1117N 0.00 0.47 -3.02 1.05 3.07 -1.94 -3.32 114.58 110.90 1sq5 h GLU 1117Ca 0.12 -0.25 -0.75 0.00 -0.50 0.00 0.00 59.36 57.98 1sq5 h GLU 1117Cb 0.52 0.01 -0.14 0.00 -0.84 0.00 0.00 28.75 28.29 1sq5 h GLU 1117CO -0.00 0.82 2.19 0.72 -1.40 0.00 0.00 179.01 181.34 1sq5 n HIS 1118N -4.01 2.73 0.16 4.33 8.25 -0.79 -4.72 115.22 121.17 1sq5 n HIS 1118Ca -0.02 -2.80 0.04 0.00 -0.26 0.00 0.00 57.72 54.69 1sq5 n HIS 1118Cb 0.52 -1.87 0.46 0.00 1.12 0.00 0.00 29.99 30.22 1sq5 n HIS 1118CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sq5 h ARG 1119N 5.14 0.17 -3.83 -0.41 3.08 -1.76 -3.41 114.38 113.36 1sq5 h ARG 1119Ca 0.55 -0.03 -0.53 0.00 0.07 0.00 0.00 59.98 60.04 1sq5 h ARG 1119Cb 0.46 -0.03 -0.39 0.00 0.08 0.00 0.00 29.97 30.09 1sq5 h ARG 1119CO 1.54 0.27 -0.77 1.03 -1.07 0.00 0.00 179.97 180.97 1sq5 s ARG 1120N -4.82 0.98 -0.28 0.04 0.52 -1.26 -5.03 118.95 109.09 1sq5 s ARG 1120Ca -0.05 -0.49 0.01 0.00 -0.52 0.00 0.00 55.73 54.67 1sq5 s ARG 1120Cb 0.16 -2.08 0.05 0.00 0.52 0.00 0.00 34.95 33.61 1sq5 s ARG 1120CO 0.71 -0.56 -0.06 0.08 0.02 0.00 0.00 175.30 175.50 1sq5 s VAL 1121N 1.74 2.58 0.15 3.52 1.01 -1.26 -1.32 120.40 126.82 1sq5 s VAL 1121Ca -0.01 -1.50 -0.03 0.00 0.00 0.00 0.00 61.98 60.44 1sq5 s VAL 1121Cb -0.17 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 1sq5 s VAL 1121CO -0.07 -0.06 0.36 -1.61 0.00 0.00 0.00 175.10 173.71 1sq5 s GLU 1122N 1.18 3.56 -0.09 2.72 0.41 0.02 -4.98 118.70 121.51 1sq5 s GLU 1122Ca -0.07 -0.23 0.00 0.00 -0.41 0.00 0.00 54.97 54.26 1sq5 s GLU 1122Cb -0.20 -2.87 0.02 0.00 -1.78 0.00 0.00 34.13 29.30 1sq5 s GLU 1122CO -0.03 0.47 -0.08 -1.17 -0.49 0.00 0.00 175.26 173.96 1sq5 s LEU 1123N -2.87 1.26 -0.04 1.80 0.20 -1.26 0.04 118.68 117.81 1sq5 s LEU 1123Ca 0.39 -0.27 0.03 0.00 0.69 0.00 0.00 54.13 54.98 1sq5 s LEU 1123Cb -0.12 -0.77 0.00 0.00 -0.43 0.00 0.00 46.19 44.88 1sq5 s LEU 1123CO 0.27 -0.08 -0.14 -0.63 -0.29 0.00 0.00 176.35 175.48 1sq5 s ILE 1124N 1.41 1.16 0.13 6.68 -1.09 -0.07 -4.97 121.20 124.45 1sq5 s ILE 1124Ca -0.01 -0.56 0.04 0.00 -2.23 0.00 0.00 60.65 57.89 1sq5 s ILE 1124Cb -0.13 -1.02 -0.04 0.00 -1.58 0.00 0.00 42.46 39.69 1sq5 s ILE 1124CO -0.04 0.35 0.14 0.42 -1.23 0.00 0.00 174.94 174.57 1sq5 s THR 1125N 0.18 4.65 -0.89 2.92 -4.23 -1.26 -1.01 115.64 116.00 1sq5 s THR 1125Ca -0.05 -0.90 0.27 0.00 -1.18 0.00 0.00 61.69 59.83 1sq5 s THR 1125Cb -0.11 -3.33 0.25 0.00 1.34 0.00 0.00 72.50 70.65 1sq5 s THR 1125CO 0.02 -0.02 1.85 0.35 -0.54 0.00 0.00 174.62 176.27 1sq5 n THR 1126N -0.10 0.28 -0.29 3.99 -2.24 0.29 -3.67 114.28 112.54 1sq5 n THR 1126Ca -0.08 -0.08 0.11 0.00 -2.27 0.00 0.00 64.05 61.73 1sq5 n THR 1126Cb 0.53 -0.58 0.27 0.00 -2.10 0.00 0.00 70.33 68.45 1sq5 n THR 1126CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1sq5 h ASP 1127N 0.00 0.32 -0.16 3.42 3.32 -1.95 0.39 116.42 121.77 1sq5 h ASP 1127Ca 0.00 0.14 0.05 0.00 0.02 0.00 0.00 57.03 57.23 1sq5 h ASP 1127Cb 0.56 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1sq5 h ASP 1127CO 0.00 0.04 0.13 1.23 -1.72 0.00 0.00 179.24 178.93 1sq5 h GLY 1128N 0.43 0.00 -0.44 2.75 0.00 -1.77 -1.67 103.07 102.37 1sq5 h GLY 1128Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 1sq5 h GLY 1128CO -0.49 0.00 0.00 0.69 0.00 0.00 0.00 176.54 176.74 1sq5 n PHE 1129N -4.22 0.18 -1.79 5.60 3.01 0.13 -4.38 117.46 115.99 1sq5 n PHE 1129Ca 0.01 -0.09 -0.33 0.00 1.01 0.00 0.00 57.45 58.05 1sq5 n PHE 1129Cb 0.26 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.77 1sq5 n PHE 1129CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1sq5 s LEU 1130N -1.14 3.39 0.29 4.37 1.43 -0.63 -0.62 118.68 125.77 1sq5 s LEU 1130Ca 0.15 1.96 -0.29 0.00 -1.03 0.00 0.00 54.13 54.91 1sq5 s LEU 1130Cb 0.08 -4.55 -0.10 0.00 0.03 0.00 0.00 46.19 41.65 1sq5 s LEU 1130CO 0.11 -1.55 1.16 -1.00 0.23 0.00 0.00 176.35 175.29 1sq5 s HIS 1131N -2.39 3.44 0.88 0.29 3.76 0.74 -4.71 115.29 117.30 1sq5 s HIS 1131Ca 0.66 1.61 -0.13 0.00 -0.15 0.00 0.00 55.06 57.05 1sq5 s HIS 1131Cb -0.19 -3.39 0.06 0.00 1.11 0.00 0.00 32.58 30.17 1sq5 s HIS 1131CO 0.41 -0.92 0.76 -2.30 -0.85 0.00 0.00 174.74 171.84 1sq5 n PRO 1132N 1.19 -0.16 -0.22 8.40 -0.02 -1.26 -4.57 135.00 138.36 1sq5 n PRO 1132Ca -0.00 0.01 0.12 0.00 -2.02 0.00 0.00 63.50 61.60 1sq5 n PRO 1132Cb 0.44 -2.09 0.41 0.00 -0.02 0.00 0.00 33.50 32.23 1sq5 n PRO 1132CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1sq5 h ASN 1133N -1.36 0.58 0.13 2.55 2.35 -1.92 -0.50 115.58 117.41 1sq5 h ASN 1133Ca -0.44 0.03 0.02 0.00 -0.55 0.00 0.00 56.30 55.35 1sq5 h ASN 1133Cb 1.29 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 39.54 1sq5 h ASN 1133CO 0.39 0.32 -0.27 -0.61 -1.65 0.00 0.00 177.43 175.61 1sq5 h GLN 1134N 0.62 -0.48 -0.78 0.81 4.15 -2.00 0.81 115.11 118.25 1sq5 h GLN 1134Ca 0.39 0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.81 1sq5 h GLN 1134Cb 0.64 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.41 1sq5 h GLN 1134CO -0.15 -0.32 0.34 0.28 -1.93 0.00 0.00 178.83 177.05 1sq5 h VAL 1135N -0.49 1.25 -0.75 2.39 2.07 -1.67 -2.37 116.25 116.68 1sq5 h VAL 1135Ca 0.03 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 1sq5 h VAL 1135Cb 0.51 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1sq5 h VAL 1135CO -0.15 0.31 0.24 -0.07 0.02 0.00 0.00 177.57 177.93 1sq5 h LEU 1136N 1.12 1.08 -0.55 2.57 3.38 -0.62 -2.42 115.31 119.87 1sq5 h LEU 1136Ca 0.26 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1sq5 h LEU 1136Cb 0.17 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1sq5 h LEU 1136CO -0.03 1.00 0.36 0.50 0.09 0.00 0.00 178.44 180.37 1sq5 h LYS 1137N 1.11 0.73 -0.91 1.13 3.64 -0.64 0.39 116.57 122.02 1sq5 h LYS 1137Ca 0.24 -0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.68 1sq5 h LYS 1137Cb 0.30 -0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 31.88 1sq5 h LYS 1137CO -0.01 0.49 0.55 0.93 -2.27 0.00 0.00 179.45 179.14 1sq5 h GLU 1138N 0.75 0.87 -0.03 1.90 5.08 -1.08 -0.55 114.58 121.52 1sq5 h GLU 1138Ca 0.20 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1sq5 h GLU 1138Cb -0.08 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 28.98 1sq5 h GLU 1138CO -0.04 0.58 0.00 0.54 -1.00 0.00 0.00 179.01 179.08 1sq5 n ARG 1139N -4.68 1.61 -2.92 2.33 1.74 -0.80 -4.92 116.66 109.02 1sq5 n ARG 1139Ca 0.16 -0.89 -0.15 0.00 -0.77 0.00 0.00 57.85 56.20 1sq5 n ARG 1139Cb 0.30 -1.47 0.03 0.00 -1.02 0.00 0.00 32.46 30.31 1sq5 n ARG 1139CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sq5 n GLY 1140N 1.15 -0.07 0.48 -0.13 0.00 0.04 -4.93 105.19 101.72 1sq5 n GLY 1140Ca 0.19 -0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.16 1sq5 n GLY 1140CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sq5 n LEU 1141N -2.98 3.10 0.13 0.99 4.77 0.12 -4.68 117.00 118.44 1sq5 n LEU 1141Ca -0.04 -3.03 0.11 0.00 -0.03 0.00 0.00 56.01 53.02 1sq5 n LEU 1141Cb 0.56 -0.48 0.50 0.00 -2.33 0.00 0.00 43.42 41.68 1sq5 n LEU 1141CO 0.35 0.69 0.84 0.80 -1.33 0.00 0.00 177.39 178.75 1sq5 n MET 1142N -0.95 0.18 -0.47 3.23 1.56 -1.24 -1.19 117.12 118.23 1sq5 n MET 1142Ca 0.18 0.46 0.08 0.00 -0.27 0.00 0.00 57.70 58.15 1sq5 n MET 1142Cb 0.76 -1.88 0.27 0.00 2.15 0.00 0.00 33.22 34.52 1sq5 n MET 1142CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1sq5 n LYS 1143N -2.22 3.21 -0.65 2.12 4.76 -1.26 -4.47 118.16 119.65 1sq5 n LYS 1143Ca 0.01 -2.78 0.05 0.00 -2.87 0.00 0.00 58.31 52.73 1sq5 n LYS 1143Cb 0.19 -1.82 0.10 0.00 -1.84 0.00 0.00 35.03 31.66 1sq5 n LYS 1143CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1sq5 n LYS 1144N -0.13 0.77 -1.79 1.97 4.76 -0.33 -4.90 118.16 118.50 1sq5 n LYS 1144Ca 0.21 -2.28 -0.42 0.00 -2.87 0.00 0.00 58.31 52.95 1sq5 n LYS 1144Cb 0.87 -0.95 -0.03 0.00 -1.84 0.00 0.00 35.03 33.08 1sq5 n LYS 1144CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1sq5 s LYS 1145N -1.63 4.15 0.00 1.97 1.02 -1.24 -1.59 119.74 122.42 1sq5 s LYS 1145Ca 0.27 2.53 0.00 0.00 0.02 0.00 0.00 55.97 58.79 1sq5 s LYS 1145Cb 0.27 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.47 1sq5 s LYS 1145CO -0.05 -0.71 0.00 0.41 -0.92 0.00 0.00 175.35 174.08 1sq5 n GLY 1146N 3.92 2.94 3.84 -3.33 0.00 -1.26 -4.92 105.19 106.38 1sq5 n GLY 1146Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1sq5 n GLY 1146CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sq5 s PHE 1147N -2.63 3.40 0.23 1.61 0.40 -0.62 -4.94 117.98 115.44 1sq5 s PHE 1147Ca 0.00 1.47 -0.12 0.00 -0.60 0.00 0.00 56.93 57.68 1sq5 s PHE 1147Cb 0.00 -2.82 0.31 0.00 0.51 0.00 0.00 43.02 41.02 1sq5 s PHE 1147CO 0.00 -0.45 1.60 -1.35 0.70 0.00 0.00 175.22 175.72 1sq5 h PRO 1148N 0.86 -0.01 0.00 0.24 0.11 -1.87 -0.76 132.00 130.57 1sq5 h PRO 1148Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1sq5 h PRO 1148Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1sq5 h PRO 1148CO 0.61 -0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.55 1sq5 n GLU 1149N -5.50 0.14 0.00 1.05 0.00 -1.26 -1.81 120.64 113.26 1sq5 n GLU 1149Ca 0.10 0.55 0.14 0.00 0.00 0.00 0.00 57.16 57.94 1sq5 n GLU 1149Cb 0.39 -1.88 0.49 0.00 0.00 0.00 0.00 31.44 30.44 1sq5 n GLU 1149CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1sq5 n SER 1150N -2.17 0.88 -4.77 -1.84 3.41 -0.29 -4.88 113.62 103.96 1sq5 n SER 1150Ca -0.00 -0.87 -0.32 0.00 -0.26 0.00 0.00 58.87 57.42 1sq5 n SER 1150Cb 0.10 0.04 -0.07 0.00 -0.26 0.00 0.00 64.21 64.02 1sq5 n SER 1150CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1sq5 s TYR 1151N -2.41 3.23 -1.20 7.33 1.51 -0.75 -0.19 117.35 124.88 1sq5 s TYR 1151Ca 0.28 0.15 -0.09 0.00 -1.01 0.00 0.00 57.07 56.40 1sq5 s TYR 1151Cb 0.20 -1.69 0.22 0.00 -0.11 0.00 0.00 41.96 40.58 1sq5 s TYR 1151CO 0.48 0.53 1.62 -3.47 -1.11 0.00 0.00 175.55 173.59 1sq5 n ASP 1152N 0.93 5.54 -0.36 2.29 2.03 0.21 -4.81 116.55 122.38 1sq5 n ASP 1152Ca -0.11 -3.17 0.02 0.00 0.52 0.00 0.00 54.79 52.05 1sq5 n ASP 1152Cb 0.52 -1.43 0.17 0.00 -0.72 0.00 0.00 41.12 39.67 1sq5 n ASP 1152CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1sq5 h MET 1153N 5.98 1.11 -0.70 -0.67 2.86 -1.89 -2.24 114.93 119.39 1sq5 h MET 1153Ca 0.31 -0.07 0.06 0.00 -2.06 0.00 0.00 59.70 57.94 1sq5 h MET 1153Cb 0.69 -0.25 -0.04 0.00 0.06 0.00 0.00 31.60 32.06 1sq5 h MET 1153CO 1.42 0.73 0.46 0.45 1.06 0.00 0.00 176.91 181.03 1sq5 h HIS 1154N 1.14 0.73 -0.34 -0.22 3.86 -1.94 0.22 115.15 118.60 1sq5 h HIS 1154Ca 0.42 0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 59.49 1sq5 h HIS 1154Cb 0.17 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.40 1sq5 h HIS 1154CO -0.01 0.39 -0.44 -0.09 0.86 0.00 0.00 177.93 178.64 1sq5 h ARG 1155N 0.72 0.90 -0.48 2.45 2.43 -1.82 -1.68 114.38 116.91 1sq5 h ARG 1155Ca 0.30 -0.51 -0.03 0.00 -0.81 0.00 0.00 59.98 58.92 1sq5 h ARG 1155Cb 0.25 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1sq5 h ARG 1155CO -0.10 1.16 0.17 1.25 -1.51 0.00 0.00 179.97 180.94 1sq5 h LEU 1156N 0.70 0.68 -0.43 3.80 5.85 -1.00 -1.16 115.31 123.75 1sq5 h LEU 1156Ca 0.04 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1sq5 h LEU 1156Cb 1.05 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 1sq5 h LEU 1156CO 0.10 0.69 0.28 0.58 -0.34 0.00 0.00 178.44 179.75 1sq5 h VAL 1157N 0.63 1.12 0.00 1.05 2.07 -0.95 -2.13 116.25 118.04 1sq5 h VAL 1157Ca 0.16 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1sq5 h VAL 1157Cb 0.24 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1sq5 h VAL 1157CO -0.01 0.12 -0.18 0.50 0.02 0.00 0.00 177.57 178.01 1sq5 h LYS 1158N 0.58 0.00 0.46 1.57 3.64 -1.04 0.06 116.57 121.83 1sq5 h LYS 1158Ca 0.16 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1sq5 h LYS 1158Cb -0.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1sq5 h LYS 1158CO -0.03 0.18 -0.22 0.35 -2.27 0.00 0.00 179.45 177.46 1sq5 h PHE 1159N 0.00 -0.57 -0.01 1.91 3.57 -0.53 0.20 116.94 121.51 1sq5 h PHE 1159Ca -0.00 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 1sq5 h PHE 1159Cb 0.33 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1sq5 h PHE 1159CO 0.00 -0.29 -0.50 -0.39 -2.23 0.00 0.00 178.31 174.90 1sq5 h VAL 1160N -0.74 1.36 -0.29 1.41 -1.51 -1.38 -2.32 116.25 112.77 1sq5 h VAL 1160Ca -0.06 -1.72 -0.02 0.00 -1.23 0.00 0.00 66.70 63.67 1sq5 h VAL 1160Cb 0.53 1.92 -0.01 0.00 -2.13 0.00 0.00 31.29 31.60 1sq5 h VAL 1160CO 0.10 0.49 0.10 -1.28 -1.23 0.00 0.00 177.57 175.76 1sq5 h SER 1161N 0.01 0.41 -0.74 4.19 0.87 -0.79 -0.39 113.55 117.11 1sq5 h SER 1161Ca -0.00 -0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.36 1sq5 h SER 1161Cb 0.89 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.71 1sq5 h SER 1161CO 0.07 0.48 0.40 0.44 -0.53 0.00 0.00 176.83 177.68 1sq5 h ASP 1162N 0.31 0.93 -0.68 6.23 3.32 -0.42 -0.90 116.42 125.21 1sq5 h ASP 1162Ca 0.10 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1sq5 h ASP 1162Cb 0.21 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1sq5 h ASP 1162CO -0.01 0.77 0.39 -0.07 -1.72 0.00 0.00 179.24 178.61 1sq5 h LEU 1163N 1.02 0.83 0.00 1.55 3.38 -1.20 -0.93 115.31 119.97 1sq5 h LEU 1163Ca 0.26 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1sq5 h LEU 1163Cb 0.05 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1sq5 h LEU 1163CO -0.04 0.67 0.00 1.17 0.09 0.00 0.00 178.44 180.33 1sq5 n LYS 1164N -4.53 0.96 0.00 1.13 3.00 -0.18 -2.32 118.16 116.22 1sq5 n LYS 1164Ca 0.06 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.45 1sq5 n LYS 1164Cb 0.07 -1.37 -0.09 0.00 0.00 0.00 0.00 35.03 33.64 1sq5 n LYS 1164CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1sq5 n SER 1165N -0.87 0.97 0.00 3.14 7.64 -0.39 -4.97 113.62 119.14 1sq5 n SER 1165Ca 0.17 -0.99 0.00 0.00 1.01 0.00 0.00 58.87 59.06 1sq5 n SER 1165Cb 0.08 0.94 0.00 0.00 -1.01 0.00 0.00 64.21 64.22 1sq5 n SER 1165CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sq5 n GLY 1166N 1.41 0.80 3.67 0.23 0.00 -0.98 -5.02 105.19 105.30 1sq5 n GLY 1166Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1sq5 n GLY 1166CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sq5 n VAL 1167N -2.22 0.70 -0.02 1.61 0.31 -0.86 -4.89 118.33 112.96 1sq5 n VAL 1167Ca 0.00 -0.13 -0.09 0.00 -0.01 0.00 0.00 64.34 64.11 1sq5 n VAL 1167Cb 0.00 -2.21 -0.03 0.00 -0.91 0.00 0.00 33.84 30.70 1sq5 n VAL 1167CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1sq5 h PRO 1168N 10.13 -0.30 -5.09 5.55 0.13 -1.95 -3.41 132.00 137.05 1sq5 h PRO 1168Ca -0.49 0.02 -0.65 0.00 -0.87 0.00 0.00 66.00 64.00 1sq5 h PRO 1168Cb 1.25 0.07 -0.34 0.00 0.13 0.00 0.00 31.00 32.10 1sq5 h PRO 1168CO 0.94 -0.20 -0.86 -0.80 -0.23 0.00 0.00 178.00 176.85 1sq5 s ASN 1169N -4.99 2.95 -0.02 1.44 0.01 -1.26 -4.51 114.94 108.56 1sq5 s ASN 1169Ca -0.15 -0.56 0.07 0.00 -0.71 0.00 0.00 52.86 51.51 1sq5 s ASN 1169Cb 0.11 -1.36 -0.02 0.00 0.41 0.00 0.00 41.25 40.40 1sq5 s ASN 1169CO 0.67 0.07 -0.23 -0.69 -1.51 0.00 0.00 177.10 175.41 1sq5 s VAL 1170N 0.84 1.81 -0.05 1.60 1.01 -0.60 -4.96 120.40 120.05 1sq5 s VAL 1170Ca -0.07 -0.97 -0.00 0.00 0.00 0.00 0.00 61.98 60.93 1sq5 s VAL 1170Cb -0.15 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 1sq5 s VAL 1170CO -0.02 0.51 -0.01 -0.89 0.00 0.00 0.00 175.10 174.70 1sq5 s THR 1171N -0.49 4.19 0.00 3.92 2.01 -1.26 0.23 115.64 124.24 1sq5 s THR 1171Ca 0.08 -0.42 0.04 0.00 0.31 0.00 0.00 61.69 61.70 1sq5 s THR 1171Cb -0.09 -2.80 -0.01 0.00 0.01 0.00 0.00 72.50 69.61 1sq5 s THR 1171CO -0.00 0.51 -0.13 0.00 -0.69 0.00 0.00 174.62 174.30 1sq5 s ALA 1172N -0.96 1.12 0.70 7.40 0.00 0.64 -4.96 121.76 125.71 1sq5 s ALA 1172Ca 0.16 -0.64 -0.12 0.00 0.00 0.00 0.00 51.96 51.35 1sq5 s ALA 1172Cb -0.11 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.77 1sq5 s ALA 1172CO 0.05 0.26 1.08 -1.25 0.00 0.00 0.00 175.76 175.90 1sq5 s PRO 1173N -0.54 2.70 -0.02 0.00 0.04 -1.26 0.00 135.00 135.92 1sq5 s PRO 1173Ca 0.04 1.16 0.06 0.00 0.04 0.00 0.00 61.00 62.30 1sq5 s PRO 1173Cb -0.06 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 1sq5 s PRO 1173CO -0.00 -1.30 -0.20 0.08 0.04 0.00 0.00 177.00 175.62 1sq5 s VAL 1174N -2.76 1.61 0.06 -0.36 1.01 -1.26 -4.43 120.40 114.27 1sq5 s VAL 1174Ca 0.62 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1sq5 s VAL 1174Cb -0.17 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 1sq5 s VAL 1174CO 0.50 0.46 0.04 -0.47 0.00 0.00 0.00 175.10 175.62 1sq5 s TYR 1175N -0.37 3.11 -0.22 5.22 5.04 -1.26 -0.90 117.35 127.95 1sq5 s TYR 1175Ca 0.05 0.05 0.01 0.00 -2.44 0.00 0.00 57.07 54.74 1sq5 s TYR 1175Cb -0.09 -1.61 0.05 0.00 0.35 0.00 0.00 41.96 40.66 1sq5 s TYR 1175CO -0.00 0.50 -0.07 0.45 -1.34 0.00 0.00 175.55 175.09 1sq5 s SER 1176N -2.15 3.67 0.12 4.32 0.15 -0.71 -4.88 113.70 114.23 1sq5 s SER 1176Ca 0.26 -1.07 0.18 0.00 0.70 0.00 0.00 55.95 56.02 1sq5 s SER 1176Cb -0.12 -1.19 0.78 0.00 -1.71 0.00 0.00 66.02 63.78 1sq5 s SER 1176CO 0.18 -0.20 1.57 1.41 1.20 0.00 0.00 173.24 177.39 1sq5 n HIS 1177N 4.68 0.38 -0.04 3.44 8.25 -1.26 0.55 115.22 131.22 1sq5 n HIS 1177Ca -0.13 0.15 -0.17 0.00 -0.26 0.00 0.00 57.72 57.32 1sq5 n HIS 1177Cb 0.45 -0.74 -0.06 0.00 1.12 0.00 0.00 29.99 30.75 1sq5 n HIS 1177CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1sq5 h LEU 1178N 0.00 0.96 -1.11 2.41 4.07 -1.94 -3.22 115.31 116.48 1sq5 h LEU 1178Ca 0.00 -0.60 0.00 0.00 0.08 0.00 0.00 57.88 57.36 1sq5 h LEU 1178Cb 0.29 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.75 1sq5 h LEU 1178CO 0.00 1.40 -0.23 2.30 -1.08 0.00 0.00 178.44 180.83 1sq5 n ILE 1179N -3.96 0.00 -3.65 1.22 -5.35 -0.94 -1.33 119.36 105.35 1sq5 n ILE 1179Ca -0.07 -0.39 -0.24 0.00 -0.27 0.00 0.00 62.75 61.78 1sq5 n ILE 1179Cb 0.71 1.24 0.07 0.00 -1.74 0.00 0.00 39.64 39.92 1sq5 n ILE 1179CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sq5 n TYR 1180N 0.20 -2.70 -3.71 4.28 9.36 0.19 -4.83 117.16 119.96 1sq5 n TYR 1180Ca 0.08 0.99 -0.06 0.00 3.32 0.00 0.00 57.90 62.22 1sq5 n TYR 1180Cb 0.36 -4.83 -0.02 0.00 -0.63 0.00 0.00 39.34 34.22 1sq5 n TYR 1180CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1sq5 s ASP 1181N -3.44 -0.27 0.33 2.98 2.15 -1.05 -4.87 116.67 112.50 1sq5 s ASP 1181Ca 0.54 -0.35 -0.28 0.00 0.43 0.00 0.00 52.55 52.89 1sq5 s ASP 1181Cb -0.24 0.55 -0.09 0.00 -0.30 0.00 0.00 42.92 42.83 1sq5 s ASP 1181CO 0.75 -0.98 1.15 -0.69 -0.17 0.00 0.00 175.17 175.22 1sq5 s VAL 1182N -3.48 3.30 -0.42 1.11 1.01 -1.26 -1.73 120.40 118.93 1sq5 s VAL 1182Ca 0.10 1.21 -0.27 0.00 0.00 0.00 0.00 61.98 63.02 1sq5 s VAL 1182Cb -0.02 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.64 1sq5 s VAL 1182CO 0.00 0.22 1.00 -0.63 0.00 0.00 0.00 175.10 175.69 1sq5 s ILE 1183N -1.28 4.44 0.09 2.22 1.01 -0.08 -4.90 121.20 122.70 1sq5 s ILE 1183Ca 0.50 1.14 -0.18 0.00 0.00 0.00 0.00 60.65 62.11 1sq5 s ILE 1183Cb -0.32 -4.45 -0.04 0.00 0.01 0.00 0.00 42.46 37.66 1sq5 s ILE 1183CO 0.41 -0.74 1.07 -0.81 0.00 0.00 0.00 174.94 174.86 1sq5 n PRO 1184N 7.19 -0.26 -2.39 2.79 -0.04 -1.26 -2.50 135.00 138.53 1sq5 n PRO 1184Ca 0.09 1.05 -0.27 0.00 -0.04 0.00 0.00 63.50 64.33 1sq5 n PRO 1184Cb 0.48 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 1sq5 n PRO 1184CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1sq5 n ASP 1185N -4.48 4.87 -0.32 3.54 5.75 -1.26 -4.75 116.55 119.90 1sq5 n ASP 1185Ca 0.01 -3.73 0.08 0.00 -0.01 0.00 0.00 54.79 51.14 1sq5 n ASP 1185Cb 0.15 -0.47 0.16 0.00 -1.03 0.00 0.00 41.12 39.93 1sq5 n ASP 1185CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sq5 n GLY 1186N -0.51 4.28 3.60 6.12 0.00 -1.04 -5.06 105.19 112.58 1sq5 n GLY 1186Ca 0.40 -0.92 -0.48 0.00 0.00 0.00 0.00 46.02 45.02 1sq5 n GLY 1186CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sq5 n ASP 1187N -0.94 1.71 -4.80 1.61 9.92 -1.26 -4.46 116.55 118.33 1sq5 n ASP 1187Ca 0.15 1.14 -0.37 0.00 -0.53 0.00 0.00 54.79 55.18 1sq5 n ASP 1187Cb 0.65 -1.26 -0.07 0.00 -0.64 0.00 0.00 41.12 39.80 1sq5 n ASP 1187CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1sq5 s LYS 1188N -0.23 3.94 -0.33 -1.24 2.20 0.10 -4.87 119.74 119.31 1sq5 s LYS 1188Ca 0.74 0.09 -0.11 0.00 -0.36 0.00 0.00 55.97 56.32 1sq5 s LYS 1188Cb -0.82 -3.31 -0.01 0.00 -1.51 0.00 0.00 37.83 32.18 1sq5 s LYS 1188CO 0.50 0.50 0.20 0.99 -0.36 0.00 0.00 175.35 177.19 1sq5 s THR 1189N -0.33 4.94 -0.20 3.43 2.01 -1.26 -0.26 115.64 123.97 1sq5 s THR 1189Ca 0.17 -0.33 -0.21 0.00 0.31 0.00 0.00 61.69 61.63 1sq5 s THR 1189Cb -0.13 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 1sq5 s THR 1189CO 0.06 0.02 0.65 -0.69 -0.69 0.00 0.00 174.62 173.97 1sq5 s VAL 1190N 1.67 5.00 -0.39 3.82 1.01 0.14 -4.93 120.40 126.71 1sq5 s VAL 1190Ca 0.05 1.23 0.15 0.00 0.00 0.00 0.00 61.98 63.41 1sq5 s VAL 1190Cb -0.17 -3.96 0.51 0.00 0.00 0.00 0.00 36.38 32.75 1sq5 s VAL 1190CO 0.08 0.09 1.42 1.33 0.00 0.00 0.00 175.10 178.02 1sq5 n VAL 1191N 4.74 2.02 -3.54 2.92 0.24 -1.26 -1.55 118.33 121.89 1sq5 n VAL 1191Ca -0.01 -1.63 -0.16 0.00 -2.04 0.00 0.00 64.34 60.51 1sq5 n VAL 1191Cb 0.50 -0.07 -0.05 0.00 -1.47 0.00 0.00 33.84 32.74 1sq5 n VAL 1191CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1sq5 s PRO 1193N -2.38 1.05 0.03 7.34 0.04 -1.26 -5.05 135.00 134.78 1sq5 s PRO 1193Ca 0.39 0.02 -0.08 0.00 0.04 0.00 0.00 61.00 61.37 1sq5 s PRO 1193Cb 0.30 0.49 -0.31 0.00 0.04 0.00 0.00 34.50 35.02 1sq5 s PRO 1193CO 0.12 -0.36 0.98 -0.44 0.04 0.00 0.00 177.00 177.34 1sq5 h ASP 1194N 2.88 0.57 -3.81 6.66 3.32 -1.58 -3.36 116.42 121.09 1sq5 h ASP 1194Ca -0.29 -0.66 -0.32 0.00 0.02 0.00 0.00 57.03 55.78 1sq5 h ASP 1194Cb 1.18 -0.18 -0.29 0.00 0.22 0.00 0.00 39.33 40.26 1sq5 h ASP 1194CO 0.39 1.53 -0.75 -0.63 -1.72 0.00 0.00 179.24 178.07 1sq5 s ILE 1195N -2.62 0.33 -0.11 0.35 1.01 -0.85 -1.49 121.20 117.82 1sq5 s ILE 1195Ca -0.08 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.44 1sq5 s ILE 1195Cb 0.06 -0.30 0.01 0.00 0.01 0.00 0.00 42.46 42.25 1sq5 s ILE 1195CO 0.89 0.11 -0.16 -0.22 0.00 0.00 0.00 174.94 175.56 1sq5 s LEU 1196N 0.07 1.78 -0.29 2.97 2.96 -0.15 -0.80 118.68 125.22 1sq5 s LEU 1196Ca -0.00 -0.45 -0.10 0.00 -0.22 0.00 0.00 54.13 53.35 1sq5 s LEU 1196Cb -0.04 -1.14 -0.04 0.00 0.50 0.00 0.00 46.19 45.48 1sq5 s LEU 1196CO -0.00 0.02 0.17 -0.63 -1.32 0.00 0.00 176.35 174.59 1sq5 s ILE 1197N 0.96 5.03 -0.35 6.68 1.01 0.11 -0.71 121.20 133.92 1sq5 s ILE 1197Ca -0.07 -0.02 -0.09 0.00 0.00 0.00 0.00 60.65 60.47 1sq5 s ILE 1197Cb -0.15 -3.43 0.03 0.00 0.01 0.00 0.00 42.46 38.91 1sq5 s ILE 1197CO -0.02 0.21 0.16 -0.22 0.00 0.00 0.00 174.94 175.07 1sq5 s LEU 1198N 1.71 4.47 -0.18 2.97 2.96 0.17 -0.89 118.68 129.89 1sq5 s LEU 1198Ca 0.06 -0.98 -0.05 0.00 -0.22 0.00 0.00 54.13 52.95 1sq5 s LEU 1198Cb -0.16 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 1sq5 s LEU 1198CO 0.09 -0.34 -0.00 -0.70 -1.32 0.00 0.00 176.35 174.08 1sq5 s GLU 1199N 1.51 3.70 0.00 1.98 -6.30 -0.18 -0.59 118.70 118.82 1sq5 s GLU 1199Ca 0.01 -0.49 0.00 0.00 -2.50 0.00 0.00 54.97 51.99 1sq5 s GLU 1199Cb -0.19 -3.04 0.00 0.00 0.00 0.00 0.00 34.13 30.90 1sq5 s GLU 1199CO 0.05 0.15 0.00 0.41 0.02 0.00 0.00 175.26 175.89 1sq5 n GLY 1200N 3.85 1.16 0.28 -1.50 0.00 -0.41 -0.55 105.19 108.01 1sq5 n GLY 1200Ca -0.17 -0.25 0.18 0.00 0.00 0.00 0.00 46.02 45.78 1sq5 n GLY 1200CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1sq5 h LEU 1201N 0.00 0.00 -2.91 0.99 8.10 -1.80 -3.11 115.31 116.58 1sq5 h LEU 1201Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1sq5 h LEU 1201Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1sq5 h LEU 1201CO 0.00 0.00 0.00 -0.46 -4.11 0.00 0.00 178.44 173.87 1sq5 n ASN 1202N -2.92 3.32 0.15 0.17 6.94 -1.26 -4.34 115.26 117.32 1sq5 n ASN 1202Ca -0.01 -2.12 0.11 0.00 -0.02 0.00 0.00 54.58 52.54 1sq5 n ASN 1202Cb 0.18 -0.33 0.56 0.00 -2.36 0.00 0.00 39.78 37.83 1sq5 n ASN 1202CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1sq5 n VAL 1203N 0.66 0.95 0.80 3.53 0.24 -1.17 -1.74 118.33 121.60 1sq5 n VAL 1203Ca 0.16 0.55 0.09 0.00 -2.04 0.00 0.00 64.34 63.09 1sq5 n VAL 1203Cb 0.53 -1.53 -0.01 0.00 -1.47 0.00 0.00 33.84 31.37 1sq5 n VAL 1203CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1sq5 n LEU 1204N -2.27 1.71 -4.72 1.34 4.77 -1.26 -4.05 117.00 112.53 1sq5 n LEU 1204Ca -0.00 -0.75 -0.29 0.00 -0.03 0.00 0.00 56.01 54.94 1sq5 n LEU 1204Cb 0.11 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.35 1sq5 n LEU 1204CO 0.14 0.33 0.67 -1.10 -1.33 0.00 0.00 177.39 176.09 1sq5 s GLN 1205N -2.10 0.83 0.00 3.23 -0.21 -0.71 -4.93 119.66 115.77 1sq5 s GLN 1205Ca 0.15 0.53 0.00 0.00 0.02 0.00 0.00 55.36 56.06 1sq5 s GLN 1205Cb 0.14 -1.78 0.00 0.00 1.00 0.00 0.00 33.01 32.37 1sq5 s GLN 1205CO 0.47 -2.46 0.00 -1.13 -2.12 0.00 0.00 175.29 170.05 1sq5 n SER 1206N -3.99 0.00 -0.27 5.90 3.41 -1.26 -4.54 113.62 112.87 1sq5 n SER 1206Ca 0.06 -0.44 0.10 0.00 -0.26 0.00 0.00 58.87 58.32 1sq5 n SER 1206Cb 0.57 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 64.86 1sq5 n SER 1206CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1sq5 h GLY 1207N 0.00 1.24 2.00 5.00 0.00 -1.94 -1.23 103.07 108.15 1sq5 h GLY 1207Ca 0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 1sq5 h GLY 1207CO 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 176.54 176.67 1sq5 h MET 1208N 0.78 0.00 -0.00 4.80 -0.00 -1.97 -0.36 114.93 118.18 1sq5 h MET 1208Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.13 1sq5 h MET 1208Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.17 1sq5 h MET 1208CO -0.19 0.01 -0.21 -0.25 -0.00 0.00 0.00 176.91 176.26 1sq5 n ASP 1209N -3.24 0.42 -2.97 -0.10 8.00 -0.46 -4.16 116.55 114.03 1sq5 n ASP 1209Ca -0.03 -0.26 -0.22 0.00 0.71 0.00 0.00 54.79 54.99 1sq5 n ASP 1209Cb 0.10 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.12 1sq5 n ASP 1209CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1sq5 n TYR 1210N -1.21 2.33 0.29 1.24 4.02 -0.15 -4.77 117.16 118.92 1sq5 n TYR 1210Ca 0.10 -3.77 0.15 0.00 -0.01 0.00 0.00 57.90 54.37 1sq5 n TYR 1210Cb 0.31 -0.42 0.90 0.00 -0.02 0.00 0.00 39.34 40.12 1sq5 n TYR 1210CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1sq5 h PRO 1211N 2.95 0.00 0.00 -0.72 0.13 -1.72 -0.06 132.00 132.58 1sq5 h PRO 1211Ca 0.12 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.22 1sq5 h PRO 1211Cb 0.76 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 1sq5 h PRO 1211CO 0.68 0.00 -0.12 1.12 -0.23 0.00 0.00 178.00 179.44 1sq5 h HIS 1212N 0.00 0.00 -0.38 1.56 2.07 -1.92 -3.38 115.15 113.10 1sq5 h HIS 1212Ca 0.01 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 57.35 1sq5 h HIS 1212Cb 0.04 0.00 -0.15 0.00 2.57 0.00 0.00 27.41 29.87 1sq5 h HIS 1212CO 0.00 0.12 -0.46 -3.47 -3.07 0.00 0.00 177.93 171.06 1sq5 n ASP 1213N -3.21 -3.00 -4.77 3.10 4.64 -0.40 -5.16 116.55 107.74 1sq5 n ASP 1213Ca 0.01 -3.02 -0.41 0.00 -1.38 0.00 0.00 54.79 49.99 1sq5 n ASP 1213Cb 0.44 1.73 -0.01 0.00 -1.04 0.00 0.00 41.12 42.23 1sq5 n ASP 1213CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 1sq5 s PRO 1214N 0.75 4.19 0.11 -0.67 0.04 -0.17 -4.85 135.00 134.39 1sq5 s PRO 1214Ca 0.31 2.35 0.11 0.00 0.04 0.00 0.00 61.00 63.81 1sq5 s PRO 1214Cb 0.14 -2.98 -0.04 0.00 0.04 0.00 0.00 34.50 31.66 1sq5 s PRO 1214CO -0.16 -0.38 -0.27 -3.38 0.04 0.00 0.00 177.00 172.85 1sq5 s HIS 1215N -1.15 2.31 -1.49 0.56 -3.43 -1.26 -5.06 115.29 105.77 1sq5 s HIS 1215Ca 0.52 -0.39 0.15 0.00 -0.80 0.00 0.00 55.06 54.54 1sq5 s HIS 1215Cb -0.42 -1.28 0.03 0.00 -1.43 0.00 0.00 32.58 29.48 1sq5 s HIS 1215CO 0.57 0.29 0.85 0.72 -2.00 0.00 0.00 174.74 175.16 1sq5 n HIS 1216N 1.12 0.00 -4.30 0.38 8.25 -1.26 -3.99 115.22 115.42 1sq5 n HIS 1216Ca -0.18 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.02 1sq5 n HIS 1216Cb 0.53 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.47 1sq5 n HIS 1216CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1sq5 s VAL 1217N -1.63 1.23 0.42 1.59 1.01 -1.26 -5.03 120.40 116.72 1sq5 s VAL 1217Ca 0.14 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.67 1sq5 s VAL 1217Cb 0.12 -1.16 -0.00 0.00 0.00 0.00 0.00 36.38 35.34 1sq5 s VAL 1217CO 0.32 0.39 0.61 -0.36 0.00 0.00 0.00 175.10 176.06 1sq5 s PHE 1218N 1.13 3.15 0.22 5.22 2.99 -1.26 -4.97 117.98 124.46 1sq5 s PHE 1218Ca -0.05 0.06 -0.08 0.00 0.00 0.00 0.00 56.93 56.86 1sq5 s PHE 1218Cb -0.14 -2.24 0.32 0.00 0.00 0.00 0.00 43.02 40.96 1sq5 s PHE 1218CO -0.02 -0.29 1.76 0.28 -0.00 0.00 0.00 175.22 176.95 1sq5 h VAL 1219N 0.54 0.80 -0.06 -0.44 2.07 -1.85 -0.26 116.25 117.05 1sq5 h VAL 1219Ca -0.46 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 66.91 1sq5 h VAL 1219Cb 1.26 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1sq5 h VAL 1219CO 0.55 0.09 0.08 0.77 0.02 0.00 0.00 177.57 179.08 1sq5 h SER 1220N 0.51 0.00 0.55 0.57 4.64 -1.85 0.36 113.55 118.32 1sq5 h SER 1220Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1sq5 h SER 1220Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1sq5 h SER 1220CO -0.30 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.13 1sq5 n ASP 1221N -3.76 0.05 -0.07 4.97 8.00 -0.11 -2.21 116.55 123.41 1sq5 n ASP 1221Ca -0.01 0.51 0.06 0.00 0.71 0.00 0.00 54.79 56.05 1sq5 n ASP 1221Cb 0.17 -0.52 0.08 0.00 -0.02 0.00 0.00 41.12 40.83 1sq5 n ASP 1221CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1sq5 n PHE 1222N -1.56 0.00 -4.87 1.24 3.01 0.10 -5.01 117.46 110.38 1sq5 n PHE 1222Ca 0.04 -0.72 -0.33 0.00 1.01 0.00 0.00 57.45 57.45 1sq5 n PHE 1222Cb 0.18 -0.10 -0.14 0.00 -0.01 0.00 0.00 39.48 39.41 1sq5 n PHE 1222CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1sq5 s VAL 1223N -1.93 2.92 -0.05 -4.37 1.01 -0.94 -4.77 120.40 112.27 1sq5 s VAL 1223Ca 0.18 -0.73 -0.19 0.00 0.00 0.00 0.00 61.98 61.24 1sq5 s VAL 1223Cb 0.15 -2.19 -0.31 0.00 0.00 0.00 0.00 36.38 34.03 1sq5 s VAL 1223CO 0.02 0.55 0.82 0.44 0.00 0.00 0.00 175.10 176.92 1sq5 h ASP 1224N 6.34 0.53 -3.66 3.32 5.19 -1.27 -3.47 116.42 123.41 1sq5 h ASP 1224Ca -0.30 -0.92 -0.33 0.00 -0.62 0.00 0.00 57.03 54.85 1sq5 h ASP 1224Cb 1.20 -0.17 -0.31 0.00 0.18 0.00 0.00 39.33 40.22 1sq5 h ASP 1224CO 0.53 1.54 -0.75 0.12 -3.12 0.00 0.00 179.24 177.56 1sq5 s PHE 1225N -2.48 0.40 -0.03 4.55 5.36 -0.95 -5.04 117.98 119.79 1sq5 s PHE 1225Ca -0.14 -0.06 0.06 0.00 -0.96 0.00 0.00 56.93 55.82 1sq5 s PHE 1225Cb 0.03 -0.37 -0.01 0.00 -0.34 0.00 0.00 43.02 42.33 1sq5 s PHE 1225CO 0.84 -0.08 -0.20 -1.54 -1.46 0.00 0.00 175.22 172.78 1sq5 s SER 1226N 0.50 2.40 -0.07 6.13 1.04 -1.26 -1.27 113.70 121.17 1sq5 s SER 1226Ca -0.05 -0.38 0.05 0.00 0.48 0.00 0.00 55.95 56.05 1sq5 s SER 1226Cb -0.08 -0.40 -0.01 0.00 0.10 0.00 0.00 66.02 65.63 1sq5 s SER 1226CO -0.01 0.23 -0.24 -0.63 0.98 0.00 0.00 173.24 173.57 1sq5 s ILE 1227N -0.32 1.98 -0.26 -1.02 1.01 -0.14 -0.20 121.20 122.24 1sq5 s ILE 1227Ca 0.04 -1.01 -0.02 0.00 0.00 0.00 0.00 60.65 59.66 1sq5 s ILE 1227Cb -0.09 -1.68 0.02 0.00 0.01 0.00 0.00 42.46 40.72 1sq5 s ILE 1227CO 0.00 0.55 -0.04 -0.47 0.00 0.00 0.00 174.94 174.98 1sq5 s TYR 1228N -0.01 3.09 -0.17 3.97 5.04 0.47 0.04 117.35 129.78 1sq5 s TYR 1228Ca -0.08 -1.50 -0.25 0.00 -2.44 0.00 0.00 57.07 52.80 1sq5 s TYR 1228Cb -0.15 -2.08 -0.01 0.00 0.35 0.00 0.00 41.96 40.07 1sq5 s TYR 1228CO 0.05 -0.71 0.85 0.08 -1.34 0.00 0.00 175.55 174.47 1sq5 s VAL 1229N 1.34 4.87 0.08 3.14 1.01 0.17 -0.78 120.40 130.22 1sq5 s VAL 1229Ca 0.00 1.66 0.09 0.00 0.00 0.00 0.00 61.98 63.73 1sq5 s VAL 1229Cb -0.17 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 1sq5 s VAL 1229CO -0.04 0.01 -0.24 -0.62 0.00 0.00 0.00 175.10 174.22 1sq5 s ASP 1230N 1.17 3.43 -0.06 3.32 2.15 0.21 -4.25 116.67 122.63 1sq5 s ASP 1230Ca 0.39 -0.61 -0.29 0.00 0.43 0.00 0.00 52.55 52.46 1sq5 s ASP 1230Cb -0.16 -0.36 0.10 0.00 -0.30 0.00 0.00 42.92 42.20 1sq5 s ASP 1230CO 0.12 0.22 0.86 0.00 -0.17 0.00 0.00 175.17 176.20 1sq5 s ALA 1231N -0.96 -1.84 0.65 3.66 0.00 -1.26 0.63 121.76 122.65 1sq5 s ALA 1231Ca 0.14 1.28 -0.17 0.00 0.00 0.00 0.00 51.96 53.20 1sq5 s ALA 1231Cb -0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 23.12 22.91 1sq5 s ALA 1231CO 0.05 -0.46 1.21 -2.14 0.00 0.00 0.00 175.76 174.41 1sq5 s PRO 1232N -1.89 2.62 0.26 0.00 0.02 -1.26 -4.83 135.00 129.92 1sq5 s PRO 1232Ca -0.02 1.78 -0.03 0.00 0.02 0.00 0.00 61.00 62.76 1sq5 s PRO 1232Cb -0.01 -1.89 0.40 0.00 0.02 0.00 0.00 34.50 33.03 1sq5 s PRO 1232CO -0.00 -1.47 1.88 1.49 -0.33 0.00 0.00 177.00 178.57 1sq5 h GLU 1233N 0.35 1.15 -0.53 5.54 4.22 -2.01 -1.50 114.58 121.79 1sq5 h GLU 1233Ca -0.49 -0.07 -0.03 0.00 0.08 0.00 0.00 59.36 58.85 1sq5 h GLU 1233Cb 1.30 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 1sq5 h GLU 1233CO 0.53 0.76 0.19 0.38 -2.18 0.00 0.00 179.01 178.68 1sq5 h ASP 1234N 1.18 0.70 0.15 1.04 2.03 -2.00 -1.04 116.42 118.49 1sq5 h ASP 1234Ca 0.43 -0.09 -0.27 0.00 -0.73 0.00 0.00 57.03 56.37 1sq5 h ASP 1234Cb 0.16 -0.18 0.02 0.00 -0.83 0.00 0.00 39.33 38.50 1sq5 h ASP 1234CO -0.17 0.65 -1.10 -0.07 -1.03 0.00 0.00 179.24 177.53 1sq5 h LEU 1235N 0.76 0.79 -0.79 0.15 3.38 -1.80 -3.01 115.31 114.79 1sq5 h LEU 1235Ca 0.18 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1sq5 h LEU 1235Cb 0.19 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1sq5 h LEU 1235CO -0.01 1.48 0.49 -0.07 0.09 0.00 0.00 178.44 180.42 1sq5 h LEU 1236N 0.30 0.93 -0.25 1.67 3.38 -1.00 -0.74 115.31 119.60 1sq5 h LEU 1236Ca -0.14 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1sq5 h LEU 1236Cb 1.75 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 1sq5 h LEU 1236CO 0.21 0.70 0.14 -0.61 0.09 0.00 0.00 178.44 178.97 1sq5 h GLN 1237N 1.07 0.34 -0.24 1.13 4.15 -1.24 0.72 115.11 121.05 1sq5 h GLN 1237Ca 0.28 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.67 1sq5 h GLN 1237Cb -0.08 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.53 1sq5 h GLN 1237CO -0.06 0.29 0.16 1.15 -1.93 0.00 0.00 178.83 178.44 1sq5 h THR 1238N 0.30 1.06 -0.78 2.39 2.02 -1.34 -0.68 112.91 115.89 1sq5 h THR 1238Ca 0.09 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.10 1sq5 h THR 1238Cb 0.04 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 1sq5 h THR 1238CO -0.02 0.06 0.31 -0.50 0.37 0.00 0.00 175.52 175.75 1sq5 h TRP 1239N 0.32 1.18 0.09 3.16 6.55 -0.93 -0.49 115.95 125.82 1sq5 h TRP 1239Ca 0.09 -0.08 -0.00 0.00 0.95 0.00 0.00 58.89 59.84 1sq5 h TRP 1239Cb -0.03 -0.35 0.00 0.00 -0.86 0.00 0.00 29.16 27.92 1sq5 h TRP 1239CO -0.06 0.89 -0.04 -0.92 -1.05 0.00 0.00 178.44 177.26 1sq5 h TYR 1240N 1.13 -0.11 -0.05 0.49 3.20 -0.55 -1.51 116.97 119.58 1sq5 h TYR 1240Ca 0.26 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.13 1sq5 h TYR 1240Cb 0.21 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.51 1sq5 h TYR 1240CO 0.02 0.05 0.03 0.82 -1.64 0.00 0.00 178.16 177.44 1sq5 h ILE 1241N -0.25 1.02 -0.32 1.81 2.04 -0.96 -0.32 117.51 120.53 1sq5 h ILE 1241Ca -0.01 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1sq5 h ILE 1241Cb 0.21 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1sq5 h ILE 1241CO 0.02 0.01 0.16 0.78 0.00 0.00 0.00 178.15 179.13 1sq5 h ASN 1242N 0.06 0.38 -0.08 1.72 2.35 -1.06 0.93 115.58 119.88 1sq5 h ASN 1242Ca 0.02 -0.02 -0.17 0.00 -0.55 0.00 0.00 56.30 55.57 1sq5 h ASN 1242Cb -0.00 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 1sq5 h ASN 1242CO -0.00 0.32 -0.56 -0.09 -1.65 0.00 0.00 177.43 175.45 1sq5 h ARG 1243N 0.44 0.67 -0.02 0.81 2.43 -0.90 -2.47 114.38 115.34 1sq5 h ARG 1243Ca 0.11 -0.43 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1sq5 h ARG 1243Cb 0.03 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1sq5 h ARG 1243CO -0.02 1.04 0.01 0.35 -1.51 0.00 0.00 179.97 179.85 1sq5 h PHE 1244N 0.51 0.02 -1.00 2.20 3.57 0.40 -1.85 116.94 120.80 1sq5 h PHE 1244Ca 0.01 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.57 1sq5 h PHE 1244Cb 1.13 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.79 1sq5 h PHE 1244CO 0.06 0.03 0.64 -0.07 -2.23 0.00 0.00 178.31 176.74 1sq5 h LEU 1245N 0.01 1.03 -0.60 0.59 3.38 -0.81 0.19 115.31 119.11 1sq5 h LEU 1245Ca 0.01 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1sq5 h LEU 1245Cb 0.01 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1sq5 h LEU 1245CO -0.00 0.66 0.18 0.11 0.09 0.00 0.00 178.44 179.47 1sq5 h LYS 1246N 1.17 0.94 -0.61 1.13 1.57 -1.10 -0.21 116.57 119.46 1sq5 h LYS 1246Ca 0.43 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.95 1sq5 h LYS 1246Cb 0.16 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1sq5 h LYS 1246CO -0.17 0.84 0.20 0.74 -0.57 0.00 0.00 179.45 180.49 1sq5 h PHE 1247N 0.85 0.97 0.44 -1.35 0.05 -0.54 -1.08 116.94 116.29 1sq5 h PHE 1247Ca 0.19 -0.09 -0.02 0.00 3.82 0.00 0.00 57.97 61.87 1sq5 h PHE 1247Cb 0.30 -0.28 0.00 0.00 2.00 0.00 0.00 35.95 37.98 1sq5 h PHE 1247CO 0.02 0.80 -0.21 -0.09 -0.18 0.00 0.00 178.31 178.65 1sq5 h ARG 1248N 0.86 -0.57 -0.94 1.51 2.43 -0.59 -2.72 114.38 114.36 1sq5 h ARG 1248Ca 0.20 0.04 0.16 0.00 -0.81 0.00 0.00 59.98 59.56 1sq5 h ARG 1248Cb 0.28 0.13 -0.10 0.00 -0.42 0.00 0.00 29.97 29.86 1sq5 h ARG 1248CO -0.01 -0.35 0.54 0.93 -1.51 0.00 0.00 179.97 179.57 1sq5 h GLU 1249N -0.66 0.72 0.00 0.20 5.08 -0.96 0.88 114.58 119.85 1sq5 h GLU 1249Ca -0.06 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1sq5 h GLU 1249Cb 0.49 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1sq5 h GLU 1249CO 0.10 0.48 0.00 0.41 -1.00 0.00 0.00 179.01 179.00 1sq5 n GLY 1250N -1.33 -0.59 0.20 -3.84 0.00 -0.42 -2.66 105.19 96.56 1sq5 n GLY 1250Ca 0.20 -0.11 0.02 0.00 0.00 0.00 0.00 46.02 46.12 1sq5 n GLY 1250CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sq5 n ALA 1251N -0.99 2.29 -0.22 4.61 0.00 0.30 -4.74 120.51 121.77 1sq5 n ALA 1251Ca 0.14 -0.78 0.17 0.00 0.00 0.00 0.00 53.44 52.96 1sq5 n ALA 1251Cb 0.06 -0.15 0.49 0.00 0.00 0.00 0.00 19.45 19.85 1sq5 n ALA 1251CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1sq5 h PHE 1252N 0.77 0.56 -0.09 0.00 0.05 -1.46 -2.35 116.94 114.43 1sq5 h PHE 1252Ca 0.00 0.02 -0.04 0.00 3.82 0.00 0.00 57.97 61.77 1sq5 h PHE 1252Cb 0.37 -0.17 -0.02 0.00 2.00 0.00 0.00 35.95 38.12 1sq5 h PHE 1252CO 0.04 0.18 -0.25 0.25 -0.18 0.00 0.00 178.31 178.35 1sq5 n THR 1253N -4.51 2.21 -3.59 -1.55 -2.24 -1.26 -4.86 114.28 98.47 1sq5 n THR 1253Ca 0.17 -2.79 -0.28 0.00 -2.27 0.00 0.00 64.05 58.88 1sq5 n THR 1253Cb 0.60 -0.26 -0.12 0.00 -2.10 0.00 0.00 70.33 68.46 1sq5 n THR 1253CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sq5 s ASP 1254N -2.90 2.94 0.00 3.42 -1.08 -0.88 -4.96 116.67 113.20 1sq5 s ASP 1254Ca 0.38 -2.97 0.05 0.00 -0.52 0.00 0.00 52.55 49.49 1sq5 s ASP 1254Cb 0.35 -0.83 0.27 0.00 -1.46 0.00 0.00 42.92 41.25 1sq5 s ASP 1254CO -0.02 -0.20 0.91 -0.81 0.52 0.00 0.00 175.17 175.57 1sq5 n PRO 1255N 3.04 0.11 0.00 4.34 -0.04 -1.26 -0.66 135.00 140.52 1sq5 n PRO 1255Ca 0.19 0.14 0.11 0.00 -0.04 0.00 0.00 63.50 63.91 1sq5 n PRO 1255Cb 0.40 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.44 1sq5 n PRO 1255CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1sq5 n ASP 1256N -1.17 0.81 -4.75 3.54 8.00 -1.26 -4.89 116.55 116.82 1sq5 n ASP 1256Ca 0.03 -0.67 -0.40 0.00 0.71 0.00 0.00 54.79 54.46 1sq5 n ASP 1256Cb 0.03 0.59 -0.05 0.00 -0.02 0.00 0.00 41.12 41.67 1sq5 n ASP 1256CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1sq5 s SER 1257N -2.96 7.46 0.26 -2.24 0.15 0.17 -4.85 113.70 111.69 1sq5 s SER 1257Ca 0.11 1.74 -0.04 0.00 0.70 0.00 0.00 55.95 58.45 1sq5 s SER 1257Cb 0.17 -2.55 0.34 0.00 -1.71 0.00 0.00 66.02 62.27 1sq5 s SER 1257CO 0.76 0.10 1.90 0.22 1.20 0.00 0.00 173.24 177.42 1sq5 h TYR 1258N 4.78 1.20 0.00 3.44 3.20 -1.51 -1.69 116.97 126.39 1sq5 h TYR 1258Ca -0.45 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.45 1sq5 h TYR 1258Cb 1.21 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 39.08 1sq5 h TYR 1258CO 0.63 0.67 0.00 1.19 -1.64 0.00 0.00 178.16 179.02 1sq5 n PHE 1259N -4.47 0.00 0.29 -3.82 3.01 -1.26 -2.57 117.46 108.64 1sq5 n PHE 1259Ca 0.14 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.77 1sq5 n PHE 1259Cb 0.12 -0.36 0.87 0.00 -0.01 0.00 0.00 39.48 40.10 1sq5 n PHE 1259CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1sq5 h HIS 1260N 0.00 0.00 0.00 1.38 2.76 -1.52 -0.81 115.15 116.96 1sq5 h HIS 1260Ca 0.00 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 1sq5 h HIS 1260Cb 0.18 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.14 1sq5 h HIS 1260CO 0.00 0.05 -0.10 -0.91 -1.30 0.00 0.00 177.93 175.67 1sq5 h ASN 1261N 0.00 0.00 0.43 3.26 2.35 -1.69 -2.25 115.58 117.68 1sq5 h ASN 1261Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1sq5 h ASN 1261Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1sq5 h ASN 1261CO 0.01 0.10 -0.55 -1.22 -1.65 0.00 0.00 177.43 174.12 1sq5 n TYR 1262N -3.52 0.00 0.23 1.19 4.02 -0.31 -3.80 117.16 114.96 1sq5 n TYR 1262Ca -0.02 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.98 1sq5 n TYR 1262Cb 0.24 -0.21 0.46 0.00 -0.02 0.00 0.00 39.34 39.80 1sq5 n TYR 1262CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1sq5 h ALA 1263N 3.03 1.00 0.00 -0.72 0.00 -1.41 -2.72 119.26 118.45 1sq5 h ALA 1263Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1sq5 h ALA 1263Cb 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1sq5 h ALA 1263CO 0.00 0.24 0.00 1.57 0.00 0.00 0.00 179.25 181.06 1sq5 h LYS 1264N 0.00 0.00 -6.62 0.00 2.10 -1.68 -3.44 116.57 106.93 1sq5 h LYS 1264Ca -0.00 0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 58.14 1sq5 h LYS 1264Cb 0.75 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.07 1sq5 h LYS 1264CO 0.02 0.00 -0.02 -0.51 -2.00 0.00 0.00 179.45 176.94 1sq5 s LEU 1265N -5.97 4.01 0.72 7.07 1.43 -1.03 -5.06 118.68 119.85 1sq5 s LEU 1265Ca 0.02 0.96 -0.11 0.00 -1.03 0.00 0.00 54.13 53.97 1sq5 s LEU 1265Cb 0.08 -3.79 0.03 0.00 0.03 0.00 0.00 46.19 42.55 1sq5 s LEU 1265CO 0.55 -0.24 1.08 0.42 0.23 0.00 0.00 176.35 178.39 1sq5 s THR 1266N -2.11 3.62 0.22 5.49 -4.23 -1.26 -4.78 115.64 112.59 1sq5 s THR 1266Ca 0.48 0.56 -0.08 0.00 -1.18 0.00 0.00 61.69 61.47 1sq5 s THR 1266Cb -0.11 -3.14 0.17 0.00 1.34 0.00 0.00 72.50 70.76 1sq5 s THR 1266CO 0.27 -0.66 1.74 0.50 -0.54 0.00 0.00 174.62 175.94 1sq5 h LYS 1267N -0.78 0.41 -0.49 3.99 3.64 -1.94 0.56 116.57 121.96 1sq5 h LYS 1267Ca -0.44 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 58.93 1sq5 h LYS 1267Cb 1.22 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 1sq5 h LYS 1267CO 0.54 0.27 0.30 0.93 -2.27 0.00 0.00 179.45 179.23 1sq5 h GLU 1268N 0.43 0.60 0.00 1.90 5.08 -2.00 0.07 114.58 120.66 1sq5 h GLU 1268Ca 0.34 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.56 1sq5 h GLU 1268Cb 0.44 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1sq5 h GLU 1268CO -0.33 0.39 -0.48 1.49 -1.00 0.00 0.00 179.01 179.08 1sq5 h GLU 1269N 0.61 0.00 -0.49 2.33 4.81 -1.76 -2.65 114.58 117.42 1sq5 h GLU 1269Ca 0.19 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.29 1sq5 h GLU 1269Cb -0.02 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1sq5 h GLU 1269CO -0.07 0.48 -0.19 0.00 -0.73 0.00 0.00 179.01 178.50 1sq5 h ALA 1270N 1.52 0.72 -0.61 2.92 0.00 -0.26 -0.61 119.26 122.94 1sq5 h ALA 1270Ca -0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1sq5 h ALA 1270Cb 1.05 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1sq5 h ALA 1270CO 0.06 0.67 0.21 0.82 0.00 0.00 0.00 179.25 181.01 1sq5 h ILE 1271N 0.86 1.24 -0.28 0.00 2.04 -0.83 -0.53 117.51 120.01 1sq5 h ILE 1271Ca 0.12 -0.80 -0.10 0.00 1.00 0.00 0.00 64.86 65.08 1sq5 h ILE 1271Cb 0.77 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1sq5 h ILE 1271CO 0.06 0.31 -0.23 0.11 0.00 0.00 0.00 178.15 178.40 1sq5 h LYS 1272N 0.86 0.54 -0.19 2.37 1.57 -1.26 0.00 116.57 120.47 1sq5 h LYS 1272Ca 0.20 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1sq5 h LYS 1272Cb 0.26 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1sq5 h LYS 1272CO -0.01 0.73 0.06 1.15 -0.57 0.00 0.00 179.45 180.81 1sq5 h THR 1273N 0.48 1.18 -0.78 -0.16 2.02 -0.76 -0.76 112.91 114.13 1sq5 h THR 1273Ca 0.07 -0.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 1sq5 h THR 1273Cb 0.66 1.21 -0.04 0.00 -1.74 0.00 0.00 68.15 68.24 1sq5 h THR 1273CO 0.05 0.18 0.48 0.00 0.37 0.00 0.00 175.52 176.60 1sq5 h ALA 1274N 0.89 1.00 -0.57 6.16 0.00 -0.85 -0.52 119.26 125.36 1sq5 h ALA 1274Ca 0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1sq5 h ALA 1274Cb 0.22 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1sq5 h ALA 1274CO -0.00 0.45 0.24 1.98 0.00 0.00 0.00 179.25 181.92 1sq5 h MET 1275N 1.07 0.82 -0.23 0.00 -1.53 -0.73 -0.87 114.93 113.46 1sq5 h MET 1275Ca 0.28 -0.12 -0.20 0.00 -3.44 0.00 0.00 59.70 56.23 1sq5 h MET 1275Cb -0.06 -0.15 0.00 0.00 -0.55 0.00 0.00 31.60 30.85 1sq5 h MET 1275CO -0.05 0.66 -0.63 1.15 0.14 0.00 0.00 176.91 178.17 1sq5 h THR 1276N 0.81 1.28 -0.80 -0.77 2.02 -0.47 -1.67 112.91 113.30 1sq5 h THR 1276Ca 0.20 -1.83 -0.01 0.00 0.77 0.00 0.00 66.41 65.54 1sq5 h THR 1276Cb 0.14 1.77 -0.04 0.00 -1.74 0.00 0.00 68.15 68.28 1sq5 h THR 1276CO -0.02 0.59 0.47 -0.07 0.37 0.00 0.00 175.52 176.86 1sq5 h LEU 1277N 0.60 0.97 0.08 2.58 3.38 -0.52 -1.38 115.31 121.00 1sq5 h LEU 1277Ca -0.01 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1sq5 h LEU 1277Cb 1.24 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1sq5 h LEU 1277CO 0.13 0.75 -0.04 -0.25 0.09 0.00 0.00 178.44 179.13 1sq5 h TRP 1278N 1.11 -0.09 -0.24 1.13 2.91 -1.05 -2.26 115.95 117.46 1sq5 h TRP 1278Ca 0.29 -0.00 -0.06 0.00 1.13 0.00 0.00 58.89 60.24 1sq5 h TRP 1278Cb -0.03 0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 28.64 1sq5 h TRP 1278CO 0.01 0.32 -0.10 0.87 -1.03 0.00 0.00 178.44 178.50 1sq5 h LYS 1279N -0.53 0.49 0.00 2.65 1.57 -1.19 0.58 116.57 120.14 1sq5 h LYS 1279Ca -0.01 -0.21 -0.11 0.00 -1.87 0.00 0.00 60.65 58.45 1sq5 h LYS 1279Cb 0.45 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1sq5 h LYS 1279CO 0.02 0.75 -0.70 0.93 -0.57 0.00 0.00 179.45 179.88 1sq5 h GLU 1280N 0.21 0.00 0.00 3.15 5.08 -1.39 -3.30 114.58 118.33 1sq5 h GLU 1280Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1sq5 h GLU 1280Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1sq5 h GLU 1280CO 0.03 0.42 -0.08 -0.89 -1.00 0.00 0.00 179.01 177.49 1sq5 n ILE 1281N -3.13 0.29 -0.20 3.13 5.41 -0.87 -4.59 119.36 119.40 1sq5 n ILE 1281Ca -0.00 0.21 -0.09 0.00 1.00 0.00 0.00 62.75 63.87 1sq5 n ILE 1281Cb 0.74 -1.34 0.02 0.00 -0.71 0.00 0.00 39.64 38.35 1sq5 n ILE 1281CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 1sq5 h ASN 1282N -0.08 0.90 -0.15 4.38 2.35 -1.32 -1.31 115.58 120.35 1sq5 h ASN 1282Ca 0.00 -0.27 -0.15 0.00 -0.55 0.00 0.00 56.30 55.33 1sq5 h ASN 1282Cb 0.08 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1sq5 h ASN 1282CO 0.00 0.94 -0.45 -0.25 -1.65 0.00 0.00 177.43 176.02 1sq5 h TRP 1283N 0.83 0.86 -0.66 1.19 7.01 -0.01 -0.54 115.95 124.63 1sq5 h TRP 1283Ca 0.17 -0.27 -0.06 0.00 2.11 0.00 0.00 58.89 60.83 1sq5 h TRP 1283Cb 0.43 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.28 1sq5 h TRP 1283CO 0.03 1.03 0.17 1.25 -2.79 0.00 0.00 178.44 178.13 1sq5 h LEU 1284N 0.57 0.99 -0.83 0.65 5.85 -1.61 -1.46 115.31 119.47 1sq5 h LEU 1284Ca 0.04 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.48 1sq5 h LEU 1284Cb 1.00 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 1sq5 h LEU 1284CO 0.10 0.97 0.30 -1.13 -0.34 0.00 0.00 178.44 178.33 1sq5 h ASN 1285N 0.98 1.07 0.05 1.25 -1.24 -0.97 -0.97 115.58 115.74 1sq5 h ASN 1285Ca 0.21 -0.17 -0.00 0.00 0.71 0.00 0.00 56.30 57.04 1sq5 h ASN 1285Cb 0.36 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 39.13 1sq5 h ASN 1285CO 0.00 0.96 -0.02 0.25 -1.29 0.00 0.00 177.43 177.33 1sq5 h LEU 1286N 1.13 -0.05 -0.38 0.34 5.85 -0.47 0.58 115.31 122.32 1sq5 h LEU 1286Ca 0.26 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 1sq5 h LEU 1286Cb 0.23 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1sq5 h LEU 1286CO -0.02 -0.01 -0.00 0.11 -0.34 0.00 0.00 178.44 178.17 1sq5 h LYS 1287N -0.09 0.67 0.04 1.25 1.57 -1.09 0.29 116.57 119.21 1sq5 h LYS 1287Ca -0.01 -0.21 -0.25 0.00 -1.87 0.00 0.00 60.65 58.31 1sq5 h LYS 1287Cb 0.07 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1sq5 h LYS 1287CO 0.01 0.77 -1.28 1.96 -0.57 0.00 0.00 179.45 180.34 1sq5 h GLN 1288N 0.48 0.09 0.00 3.15 4.20 -1.18 -3.42 115.11 118.43 1sq5 h GLN 1288Ca 0.11 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1sq5 h GLN 1288Cb 0.47 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1sq5 h GLN 1288CO 0.02 0.95 -0.75 0.09 -0.67 0.00 0.00 178.83 178.47 1sq5 n ASN 1289N -3.33 3.77 -0.08 1.46 3.02 0.14 -4.86 115.26 115.37 1sq5 n ASN 1289Ca -0.08 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.36 1sq5 n ASN 1289Cb 0.99 0.38 -0.05 0.00 -0.61 0.00 0.00 39.78 40.49 1sq5 n ASN 1289CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1sq5 n ILE 1290N -1.63 1.46 -0.26 2.41 5.41 -0.86 -4.44 119.36 121.45 1sq5 n ILE 1290Ca 0.00 0.12 0.13 0.00 1.00 0.00 0.00 62.75 64.00 1sq5 n ILE 1290Cb 0.38 -2.27 0.40 0.00 -0.71 0.00 0.00 39.64 37.43 1sq5 n ILE 1290CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1sq5 h LEU 1291N -1.00 0.61 -2.16 1.39 5.85 -0.70 -1.59 115.31 117.71 1sq5 h LEU 1291Ca -0.13 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1sq5 h LEU 1291Cb 0.80 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.75 1sq5 h LEU 1291CO -0.08 0.31 0.00 -0.65 -0.34 0.00 0.00 178.44 177.68 1sq5 h PRO 1292N 0.65 0.00 -0.01 5.25 0.11 -1.78 -1.92 132.00 134.30 1sq5 h PRO 1292Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 1sq5 h PRO 1292Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1sq5 h PRO 1292CO -0.20 0.00 -0.19 0.25 -0.21 0.00 0.00 178.00 177.65 1sq5 n THR 1293N -2.88 0.00 -0.27 -1.15 -2.24 -0.60 -4.44 114.28 102.70 1sq5 n THR 1293Ca -0.01 -0.14 0.05 0.00 -2.27 0.00 0.00 64.05 61.67 1sq5 n THR 1293Cb 0.14 0.35 0.19 0.00 -2.10 0.00 0.00 70.33 68.91 1sq5 n THR 1293CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1sq5 h ARG 1294N 1.33 0.53 0.00 -0.78 2.43 -1.44 -1.66 114.38 114.80 1sq5 h ARG 1294Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1sq5 h ARG 1294Cb 0.49 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1sq5 h ARG 1294CO 0.00 0.35 0.00 0.39 -1.51 0.00 0.00 179.97 179.20 1sq5 n GLU 1295N -4.92 0.63 0.00 0.20 4.71 -1.26 -2.15 120.64 117.85 1sq5 n GLU 1295Ca 0.14 0.00 0.12 0.00 -0.01 0.00 0.00 57.16 57.42 1sq5 n GLU 1295Cb 0.38 -1.39 0.24 0.00 -1.01 0.00 0.00 31.44 29.67 1sq5 n GLU 1295CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1sq5 n ARG 1296N -0.89 0.94 -2.67 3.49 1.74 -0.62 -4.95 116.66 113.71 1sq5 n ARG 1296Ca 0.12 -0.65 -0.33 0.00 -0.77 0.00 0.00 57.85 56.22 1sq5 n ARG 1296Cb 0.05 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 29.95 1sq5 n ARG 1296CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sq5 s ALA 1297N -2.51 3.00 0.17 7.54 0.00 -0.91 -4.96 121.76 124.08 1sq5 s ALA 1297Ca 0.22 0.41 -0.04 0.00 0.00 0.00 0.00 51.96 52.55 1sq5 s ALA 1297Cb 0.19 -3.17 0.04 0.00 0.00 0.00 0.00 23.12 20.17 1sq5 s ALA 1297CO 0.54 -0.06 1.44 0.77 0.00 0.00 0.00 175.76 178.46 1sq5 h SER 1298N 1.63 0.64 -3.64 0.00 0.02 -0.93 -3.45 113.55 107.81 1sq5 h SER 1298Ca -0.49 -0.38 -0.22 0.00 -0.84 0.00 0.00 61.79 59.86 1sq5 h SER 1298Cb 1.19 -0.19 -0.29 0.00 0.14 0.00 0.00 62.40 63.26 1sq5 h SER 1298CO 0.60 1.12 -0.61 -0.22 -1.14 0.00 0.00 176.83 176.59 1sq5 s LEU 1299N -8.22 1.29 -0.19 5.07 0.20 -0.13 -1.05 118.68 115.66 1sq5 s LEU 1299Ca -0.07 0.22 -0.03 0.00 0.69 0.00 0.00 54.13 54.93 1sq5 s LEU 1299Cb 0.10 0.32 -0.02 0.00 -0.43 0.00 0.00 46.19 46.17 1sq5 s LEU 1299CO 0.85 -0.08 -0.05 -0.63 -0.29 0.00 0.00 176.35 176.16 1sq5 s ILE 1300N 0.48 3.51 -0.45 6.68 1.01 0.43 -0.39 121.20 132.47 1sq5 s ILE 1300Ca -0.04 -0.47 -0.10 0.00 0.00 0.00 0.00 60.65 60.04 1sq5 s ILE 1300Cb -0.05 -2.56 0.09 0.00 0.01 0.00 0.00 42.46 39.95 1sq5 s ILE 1300CO -0.02 0.46 0.31 -0.76 0.00 0.00 0.00 174.94 174.93 1sq5 s LEU 1301N 0.97 5.42 -0.27 2.97 1.43 0.04 -1.39 118.68 127.86 1sq5 s LEU 1301Ca -0.00 -1.61 -0.18 0.00 -1.03 0.00 0.00 54.13 51.31 1sq5 s LEU 1301Cb -0.15 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 1sq5 s LEU 1301CO 0.01 -0.61 0.53 -0.89 0.23 0.00 0.00 176.35 175.62 1sq5 s THR 1302N 1.45 5.05 0.23 5.49 2.01 -0.52 0.68 115.64 130.02 1sq5 s THR 1302Ca 0.04 0.88 -0.00 0.00 0.31 0.00 0.00 61.69 62.92 1sq5 s THR 1302Cb -0.24 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 1sq5 s THR 1302CO 0.02 0.06 0.42 -0.54 -0.69 0.00 0.00 174.62 173.88 1sq5 s LYS 1303N 2.35 3.52 0.00 4.92 1.02 0.21 -1.07 119.74 130.68 1sq5 s LYS 1303Ca 0.22 -0.35 0.00 0.00 0.02 0.00 0.00 55.97 55.86 1sq5 s LYS 1303Cb -0.16 -2.81 0.00 0.00 -0.52 0.00 0.00 37.83 34.34 1sq5 s LYS 1303CO 0.09 0.36 0.00 0.45 -0.92 0.00 0.00 175.35 175.34 1sq5 n SER 1304N -0.85 1.20 -4.47 2.83 2.88 0.35 -4.53 113.62 111.02 1sq5 n SER 1304Ca -0.05 -0.59 -0.41 0.00 -1.33 0.00 0.00 58.87 56.50 1sq5 n SER 1304Cb 0.54 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.02 1sq5 n SER 1304CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sq5 n ALA 1305N -3.00 -1.24 -1.70 -1.46 0.00 -1.26 -1.06 120.51 110.79 1sq5 n ALA 1305Ca 0.00 0.12 -0.17 0.00 0.00 0.00 0.00 53.44 53.39 1sq5 n ALA 1305Cb 0.00 -1.82 -0.06 0.00 0.00 0.00 0.00 19.45 17.57 1sq5 n ALA 1305CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1sq5 n ASN 1306N 1.00 -4.64 -0.08 0.00 3.02 -1.26 -1.82 115.26 111.48 1sq5 n ASN 1306Ca 0.11 0.35 -0.01 0.00 -0.03 0.00 0.00 54.58 55.00 1sq5 n ASN 1306Cb 0.42 -4.12 -0.00 0.00 -0.61 0.00 0.00 39.78 35.47 1sq5 n ASN 1306CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1sq5 n HIS 1307N -2.50 0.00 -2.19 3.10 8.25 -0.22 -4.97 115.22 116.69 1sq5 n HIS 1307Ca -0.18 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.86 1sq5 n HIS 1307Cb 0.58 -1.09 -0.03 0.00 1.12 0.00 0.00 29.99 30.57 1sq5 n HIS 1307CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sq5 s ALA 1308N -1.58 3.57 0.06 -1.41 0.00 -0.76 -4.58 121.76 117.06 1sq5 s ALA 1308Ca 0.00 1.11 -0.30 0.00 0.00 0.00 0.00 51.96 52.77 1sq5 s ALA 1308Cb 0.00 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 1sq5 s ALA 1308CO 0.00 -0.59 1.12 0.08 0.00 0.00 0.00 175.76 176.37 1sq5 s VAL 1309N 0.80 4.26 -0.13 0.00 1.01 -1.26 0.13 120.40 125.21 1sq5 s VAL 1309Ca 0.62 1.66 0.05 0.00 0.00 0.00 0.00 61.98 64.32 1sq5 s VAL 1309Cb -0.37 -4.07 -0.07 0.00 0.00 0.00 0.00 36.38 31.88 1sq5 s VAL 1309CO 0.33 0.15 0.17 -1.84 0.00 0.00 0.00 175.10 173.91 1sq5 n GLU 1310N 3.68 2.76 -3.67 2.72 0.28 -0.23 -4.67 120.64 121.51 1sq5 n GLU 1310Ca 0.07 -0.02 -0.15 0.00 -0.16 0.00 0.00 57.16 56.90 1sq5 n GLU 1310Cb 0.48 -0.93 -0.08 0.00 1.43 0.00 0.00 31.44 32.33 1sq5 n GLU 1310CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1sq5 s GLU 1311N -1.93 0.75 -0.06 3.44 2.12 -1.17 -2.30 118.70 119.55 1sq5 s GLU 1311Ca 0.00 0.29 -0.00 0.00 0.36 0.00 0.00 54.97 55.62 1sq5 s GLU 1311Cb 0.04 0.35 0.03 0.00 0.26 0.00 0.00 34.13 34.80 1sq5 s GLU 1311CO 0.22 -0.18 -0.02 0.08 -0.54 0.00 0.00 175.26 174.82 1sq5 s VAL 1312N -0.65 0.47 -0.12 3.70 1.01 0.14 -1.44 120.40 123.51 1sq5 s VAL 1312Ca -0.07 -0.00 0.03 0.00 0.00 0.00 0.00 61.98 61.93 1sq5 s VAL 1312Cb -0.03 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.78 1sq5 s VAL 1312CO 0.04 0.25 -0.21 -0.13 0.00 0.00 0.00 175.10 175.05 1sq5 s ARG 1313N 1.49 3.09 -0.07 2.72 0.52 -0.48 -0.88 118.95 125.34 1sq5 s ARG 1313Ca -0.02 -0.84 0.04 0.00 -0.52 0.00 0.00 55.73 54.39 1sq5 s ARG 1313Cb -0.13 -2.40 -0.00 0.00 0.52 0.00 0.00 34.95 32.93 1sq5 s ARG 1313CO -0.03 0.11 -0.20 -1.17 0.02 0.00 0.00 175.30 174.02 1sq5 s LEU 1314N 0.53 1.95 0.23 2.53 2.96 -0.42 -0.43 118.68 126.04 1sq5 s LEU 1314Ca -0.13 -0.44 -0.32 0.00 -0.22 0.00 0.00 54.13 53.02 1sq5 s LEU 1314Cb -0.17 -1.17 -0.13 0.00 0.50 0.00 0.00 46.19 45.23 1sq5 s LEU 1314CO 0.04 0.15 1.55 0.54 -1.32 0.00 0.00 176.35 177.31 1sq5 n ARG 1315N 3.33 2.35 0.00 1.98 5.12 -0.21 0.69 116.66 129.92 1sq5 n ARG 1315Ca -0.19 0.84 0.09 0.00 -1.93 0.00 0.00 57.85 56.66 1sq5 n ARG 1315Cb 0.53 -2.59 0.54 0.00 -1.16 0.00 0.00 32.46 29.78 1sq5 n ARG 1315CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33