#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bt4 s SER 1003N 0.00 5.84 0.52 0.55 1.04 -1.26 -4.77 113.70 115.62 2bt4 s SER 1003Ca 0.00 -0.27 0.21 0.00 0.48 0.00 0.00 55.95 56.37 2bt4 s SER 1003Cb 0.00 -1.08 1.38 0.00 0.10 0.00 0.00 66.02 66.43 2bt4 s SER 1003CO 0.00 -0.50 2.12 -0.07 0.98 0.00 0.00 173.24 175.77 2bt4 h LEU 1004N 0.87 0.00 -0.57 2.42 4.07 -1.83 -2.29 115.31 117.98 2bt4 h LEU 1004Ca -0.44 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.36 2bt4 h LEU 1004Cb 1.26 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.99 2bt4 h LEU 1004CO 0.52 0.07 -0.69 0.00 -1.08 0.00 0.00 178.44 177.26 2bt4 h ALA 1005N 1.93 0.78 0.00 1.53 0.00 -1.93 -3.32 119.26 118.26 2bt4 h ALA 1005Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2bt4 h ALA 1005Cb 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2bt4 h ALA 1005CO 0.01 0.80 -1.08 0.09 0.00 0.00 0.00 179.25 179.07 2bt4 n ASN 1006N -3.79 0.81 -3.59 0.00 3.02 -0.90 -4.99 115.26 105.82 2bt4 n ASN 1006Ca -0.02 -0.75 -0.17 0.00 -0.03 0.00 0.00 54.58 53.61 2bt4 n ASN 1006Cb 0.67 1.04 -0.07 0.00 -0.61 0.00 0.00 39.78 40.82 2bt4 n ASN 1006CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bt4 s ALA 1007N -3.08 -1.53 0.59 5.41 0.00 -0.98 -4.95 121.76 117.22 2bt4 s ALA 1007Ca 0.06 1.16 -0.16 0.00 0.00 0.00 0.00 51.96 53.02 2bt4 s ALA 1007Cb 0.16 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 2bt4 s ALA 1007CO 0.86 -0.34 1.07 -1.25 0.00 0.00 0.00 175.76 176.10 2bt4 s PRO 1008N -1.05 3.26 -0.02 0.00 0.04 -1.26 -4.33 135.00 131.64 2bt4 s PRO 1008Ca -0.10 1.27 -0.29 0.00 0.04 0.00 0.00 61.00 61.92 2bt4 s PRO 1008Cb -0.02 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 2bt4 s PRO 1008CO 0.08 -0.87 0.92 0.42 0.04 0.00 0.00 177.00 177.60 2bt4 s ILE 1009N -2.36 4.90 -0.09 0.56 1.01 0.02 -1.85 121.20 123.39 2bt4 s ILE 1009Ca 0.65 1.93 -0.27 0.00 0.00 0.00 0.00 60.65 62.96 2bt4 s ILE 1009Cb -0.17 -4.26 -0.02 0.00 0.01 0.00 0.00 42.46 38.01 2bt4 s ILE 1009CO 0.36 0.17 0.87 -0.32 0.00 0.00 0.00 174.94 176.02 2bt4 s MET 1010N 1.05 4.42 -0.27 2.79 -2.45 -0.37 -0.32 119.30 124.16 2bt4 s MET 1010Ca 0.49 1.16 -0.01 0.00 -1.25 0.00 0.00 55.69 56.08 2bt4 s MET 1010Cb -0.20 -3.51 0.04 0.00 1.25 0.00 0.00 34.83 32.41 2bt4 s MET 1010CO 0.25 -0.16 -0.05 0.42 1.05 0.00 0.00 175.02 176.53 2bt4 s ILE 1011N 1.51 2.84 -0.10 10.11 1.01 -0.15 -0.53 121.20 135.89 2bt4 s ILE 1011Ca 0.44 -1.20 -0.02 0.00 0.00 0.00 0.00 60.65 59.87 2bt4 s ILE 1011Cb -0.18 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.73 2bt4 s ILE 1011CO 0.19 0.08 -0.01 -0.76 0.00 0.00 0.00 174.94 174.44 2bt4 s LEU 1012N 1.28 3.47 -0.09 2.97 1.43 0.09 -0.86 118.68 126.98 2bt4 s LEU 1012Ca -0.02 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.16 2bt4 s LEU 1012Cb -0.18 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.25 2bt4 s LEU 1012CO -0.03 0.32 -0.14 0.20 0.23 0.00 0.00 176.35 176.93 2bt4 s ASN 1013N -0.55 2.13 0.47 2.29 0.01 0.15 -1.27 114.94 118.18 2bt4 s ASN 1013Ca 0.09 -0.36 0.00 0.00 -0.71 0.00 0.00 52.86 51.88 2bt4 s ASN 1013Cb -0.12 -0.96 0.00 0.00 0.41 0.00 0.00 41.25 40.59 2bt4 s ASN 1013CO 0.02 0.02 0.00 0.61 -1.51 0.00 0.00 177.10 176.24 2bt4 n GLY 1014N 4.04 -0.49 3.72 0.66 0.00 0.41 -1.26 105.19 112.27 2bt4 n GLY 1014Ca -0.20 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 2bt4 n GLY 1014CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bt4 n PRO 1015N -0.56 1.91 0.00 1.61 -0.04 -1.08 -3.23 135.00 133.61 2bt4 n PRO 1015Ca 0.00 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.14 2bt4 n PRO 1015Cb 0.00 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.01 2bt4 n PRO 1015CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2bt4 n ASN 1016N -0.12 0.00 0.14 3.54 3.02 -1.26 -4.57 115.26 116.02 2bt4 n ASN 1016Ca 0.07 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.75 2bt4 n ASN 1016Cb 0.41 -0.23 0.49 0.00 -0.61 0.00 0.00 39.78 39.85 2bt4 n ASN 1016CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2bt4 h LEU 1017N 0.00 0.00 -2.29 3.41 3.38 -1.92 -1.83 115.31 116.06 2bt4 h LEU 1017Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2bt4 h LEU 1017Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2bt4 h LEU 1017CO 0.00 0.00 0.22 -0.55 0.09 0.00 0.00 178.44 178.20 2bt4 h ASN 1018N 0.00 0.00 -0.68 -0.43 -1.07 -1.88 -0.97 115.58 110.56 2bt4 h ASN 1018Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2bt4 h ASN 1018Cb 0.44 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.69 2bt4 h ASN 1018CO 0.00 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.68 2bt4 n LEU 1019N -3.42 3.96 -4.62 6.14 4.77 -0.69 -4.73 117.00 118.42 2bt4 n LEU 1019Ca 0.00 -1.99 -0.43 0.00 -0.03 0.00 0.00 56.01 53.57 2bt4 n LEU 1019Cb 0.32 -0.49 -0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2bt4 n LEU 1019CO 0.22 0.89 0.65 -0.11 -1.33 0.00 0.00 177.39 177.72 2bt4 n LEU 1020N 1.43 2.54 0.00 2.23 7.94 -0.37 -1.76 117.00 129.01 2bt4 n LEU 1020Ca 0.24 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.26 2bt4 n LEU 1020Cb 0.66 -1.36 0.00 0.00 0.53 0.00 0.00 43.42 43.25 2bt4 n LEU 1020CO 0.18 -1.22 0.00 0.61 -1.11 0.00 0.00 177.39 175.85 2bt4 n GLY 1021N 1.10 3.00 0.15 -3.96 0.00 -1.19 -4.00 105.19 100.30 2bt4 n GLY 1021Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 2bt4 n GLY 1021CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2bt4 n GLN 1022N -2.00 0.60 -3.69 1.61 6.02 -0.72 -4.80 117.38 114.39 2bt4 n GLN 1022Ca 0.00 -0.31 -0.05 0.00 -0.01 0.00 0.00 57.00 56.63 2bt4 n GLN 1022Cb 0.00 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.75 2bt4 n GLN 1022CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2bt4 s ARG 1023N -2.62 1.14 -1.34 -1.09 1.70 -1.26 -5.03 118.95 110.46 2bt4 s ARG 1023Ca 0.22 -0.59 -0.11 0.00 -0.47 0.00 0.00 55.73 54.78 2bt4 s ARG 1023Cb 0.19 0.42 0.01 0.00 -0.57 0.00 0.00 34.95 34.99 2bt4 s ARG 1023CO 0.55 -0.52 0.48 1.04 -1.08 0.00 0.00 175.30 175.76 2bt4 n GLN 1024N -0.42 -1.83 0.27 3.89 6.02 -1.26 -4.80 117.38 119.25 2bt4 n GLN 1024Ca -0.07 0.30 0.15 0.00 -0.01 0.00 0.00 57.00 57.37 2bt4 n GLN 1024Cb 0.61 -3.89 0.75 0.00 1.02 0.00 0.00 30.24 28.73 2bt4 n GLN 1024CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2bt4 h PRO 1025N -1.99 0.00 0.00 -1.09 0.13 -1.92 -1.14 132.00 125.99 2bt4 h PRO 1025Ca -0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 2bt4 h PRO 1025Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2bt4 h PRO 1025CO 0.59 0.09 0.00 0.39 -0.23 0.00 0.00 178.00 178.84 2bt4 n GLU 1026N -3.41 0.21 -0.07 0.86 4.71 -1.26 -0.99 120.64 120.68 2bt4 n GLU 1026Ca -0.01 0.35 -0.09 0.00 -0.01 0.00 0.00 57.16 57.39 2bt4 n GLU 1026Cb 0.26 -1.84 -0.08 0.00 -1.01 0.00 0.00 31.44 28.76 2bt4 n GLU 1026CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 2bt4 n ILE 1027N -2.22 0.90 0.03 -3.67 5.41 -0.55 -4.82 119.36 114.43 2bt4 n ILE 1027Ca 0.03 -0.42 0.00 0.00 1.00 0.00 0.00 62.75 63.36 2bt4 n ILE 1027Cb 0.29 -0.92 -0.00 0.00 -0.71 0.00 0.00 39.64 38.30 2bt4 n ILE 1027CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2bt4 n TYR 1028N -2.78 0.00 0.00 1.39 4.02 -0.54 -4.45 117.16 114.79 2bt4 n TYR 1028Ca -0.25 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.64 2bt4 n TYR 1028Cb 0.84 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.16 2bt4 n TYR 1028CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2bt4 n GLY 1029N 0.82 -0.42 0.64 2.72 0.00 -0.16 -4.71 105.19 104.08 2bt4 n GLY 1029Ca 0.00 -1.81 0.07 0.00 0.00 0.00 0.00 46.02 44.28 2bt4 n GLY 1029CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bt4 n SER 1030N -0.66 2.52 -4.77 1.61 3.41 -1.26 -4.29 113.62 110.18 2bt4 n SER 1030Ca 0.00 -1.73 -0.38 0.00 -0.26 0.00 0.00 58.87 56.50 2bt4 n SER 1030Cb 0.00 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 63.81 2bt4 n SER 1030CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2bt4 s ASP 1031N -1.09 6.78 0.79 4.04 1.11 -1.26 -4.72 116.67 122.31 2bt4 s ASP 1031Ca 0.21 2.18 -0.07 0.00 0.18 0.00 0.00 52.55 55.05 2bt4 s ASP 1031Cb 0.13 -2.60 0.13 0.00 1.07 0.00 0.00 42.92 41.65 2bt4 s ASP 1031CO 0.18 -0.49 1.10 0.42 1.18 0.00 0.00 175.17 177.56 2bt4 s THR 1032N -1.48 2.14 0.34 -1.27 -4.23 -1.26 -3.16 115.64 106.73 2bt4 s THR 1032Ca 0.55 -0.32 0.10 0.00 -1.18 0.00 0.00 61.69 60.84 2bt4 s THR 1032Cb -0.27 -2.82 0.08 0.00 1.34 0.00 0.00 72.50 70.83 2bt4 s THR 1032CO 0.34 0.00 1.79 0.25 -0.54 0.00 0.00 174.62 176.46 2bt4 h LEU 1033N -0.89 0.13 -0.99 4.79 5.85 -1.81 -1.45 115.31 120.93 2bt4 h LEU 1033Ca -0.41 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.22 2bt4 h LEU 1033Cb 1.27 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.24 2bt4 h LEU 1033CO 0.45 0.47 0.25 0.00 -0.34 0.00 0.00 178.44 179.28 2bt4 h ALA 1034N 1.54 1.20 -0.75 1.25 0.00 -1.93 -0.74 119.26 119.82 2bt4 h ALA 1034Ca 0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2bt4 h ALA 1034Cb 0.68 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2bt4 h ALA 1034CO 0.05 0.58 0.34 -0.44 0.00 0.00 0.00 179.25 179.78 2bt4 h ASP 1035N 0.96 1.00 -0.47 0.00 3.32 -1.76 -0.84 116.42 118.62 2bt4 h ASP 1035Ca 0.22 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 2bt4 h ASP 1035Cb 0.20 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2bt4 h ASP 1035CO -0.02 0.87 0.27 0.58 -1.72 0.00 0.00 179.24 179.22 2bt4 h VAL 1036N 1.07 1.16 -0.77 -1.35 2.07 -0.83 -1.37 116.25 116.22 2bt4 h VAL 1036Ca 0.26 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.46 2bt4 h VAL 1036Cb 0.15 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.41 2bt4 h VAL 1036CO -0.03 0.16 0.45 -0.08 0.02 0.00 0.00 177.57 178.09 2bt4 h GLU 1037N 0.63 0.78 -0.73 1.57 4.81 -0.84 -0.66 114.58 120.14 2bt4 h GLU 1037Ca 0.17 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 2bt4 h GLU 1037Cb 0.02 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 2bt4 h GLU 1037CO -0.03 0.52 0.34 0.00 -0.73 0.00 0.00 179.01 179.11 2bt4 h ALA 1038N 1.39 1.22 -0.74 2.92 0.00 -0.77 -0.37 119.26 122.91 2bt4 h ALA 1038Ca 0.35 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2bt4 h ALA 1038Cb 0.22 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2bt4 h ALA 1038CO -0.19 0.59 0.22 -0.07 0.00 0.00 0.00 179.25 179.80 2bt4 h LEU 1039N 1.04 1.08 -0.38 0.00 3.38 -0.59 -1.31 115.31 118.53 2bt4 h LEU 1039Ca 0.25 -0.21 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 2bt4 h LEU 1039Cb 0.12 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2bt4 h LEU 1039CO -0.03 1.00 -0.33 0.00 0.09 0.00 0.00 178.44 179.17 2bt4 h VAL 1041N 0.70 1.00 -0.12 0.00 2.07 -0.90 -1.35 116.25 117.66 2bt4 h VAL 1041Ca 0.07 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2bt4 h VAL 1041Cb 0.92 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2bt4 h VAL 1041CO 0.08 0.10 0.04 0.50 0.02 0.00 0.00 177.57 178.31 2bt4 h LYS 1042N 0.52 0.19 -0.49 1.57 3.64 -1.20 -1.49 116.57 119.32 2bt4 h LYS 1042Ca 0.20 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 2bt4 h LYS 1042Cb 0.07 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 2bt4 h LYS 1042CO -0.12 0.31 0.06 0.00 -2.27 0.00 0.00 179.45 177.43 2bt4 h ALA 1043N 0.86 1.18 -0.27 5.00 0.00 -1.12 -1.60 119.26 123.31 2bt4 h ALA 1043Ca 0.04 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 2bt4 h ALA 1043Cb 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2bt4 h ALA 1043CO -0.00 0.54 -0.12 0.00 0.00 0.00 0.00 179.25 179.68 2bt4 h ALA 1044N 1.32 0.38 -0.88 0.00 0.00 -1.17 -2.90 119.26 116.01 2bt4 h ALA 1044Ca 0.15 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 54.83 2bt4 h ALA 1044Cb 0.37 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 2bt4 h ALA 1044CO 0.01 0.24 0.57 0.00 0.00 0.00 0.00 179.25 180.07 2bt4 h ALA 1045N 0.75 1.56 0.00 0.00 0.00 -1.04 0.93 119.26 121.46 2bt4 h ALA 1045Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2bt4 h ALA 1045Cb 0.62 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2bt4 h ALA 1045CO 0.04 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.59 2bt4 h ALA 1046N 1.53 1.00 -0.20 0.00 0.00 -1.09 -2.25 119.26 118.26 2bt4 h ALA 1046Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2bt4 h ALA 1046Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2bt4 h ALA 1046CO -0.14 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.83 2bt4 n HIS 1047N -2.70 0.49 -0.76 0.00 8.25 -0.13 -4.98 115.22 115.38 2bt4 n HIS 1047Ca -0.01 -0.73 0.00 0.00 -0.26 0.00 0.00 57.72 56.73 2bt4 n HIS 1047Cb 0.16 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2bt4 n HIS 1047CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bt4 n GLY 1048N -0.37 0.53 2.19 -1.41 0.00 -0.69 -4.94 105.19 100.50 2bt4 n GLY 1048Ca 0.14 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 45.19 2bt4 n GLY 1048CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bt4 n GLY 1049N -2.76 3.57 3.21 -0.02 0.00 0.14 -4.28 105.19 105.05 2bt4 n GLY 1049Ca 0.00 -2.07 -0.12 0.00 0.00 0.00 0.00 46.02 43.82 2bt4 n GLY 1049CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bt4 s THR 1050N -2.51 0.26 0.19 2.61 -4.23 -1.26 -2.78 115.64 107.93 2bt4 s THR 1050Ca 0.12 -1.97 0.07 0.00 -1.18 0.00 0.00 61.69 58.74 2bt4 s THR 1050Cb 0.01 -2.32 -0.05 0.00 1.34 0.00 0.00 72.50 71.48 2bt4 s THR 1050CO 0.09 -0.23 -0.14 0.68 -0.54 0.00 0.00 174.62 174.47 2bt4 s VAL 1051N -3.96 1.66 -0.37 2.29 -7.23 -1.26 -0.80 120.40 110.73 2bt4 s VAL 1051Ca 0.31 -2.14 0.02 0.00 -1.81 0.00 0.00 61.98 58.37 2bt4 s VAL 1051Cb 0.07 -1.97 0.11 0.00 0.56 0.00 0.00 36.38 35.15 2bt4 s VAL 1051CO 0.08 -0.58 0.13 -0.62 -0.31 0.00 0.00 175.10 173.79 2bt4 s ASP 1052N -3.19 4.28 -0.19 4.85 -1.08 0.56 -4.83 116.67 117.06 2bt4 s ASP 1052Ca 0.20 -2.18 -0.13 0.00 -0.52 0.00 0.00 52.55 49.92 2bt4 s ASP 1052Cb -0.01 -1.28 -0.05 0.00 -1.46 0.00 0.00 42.92 40.12 2bt4 s ASP 1052CO 0.06 -0.35 0.27 0.12 0.52 0.00 0.00 175.17 175.78 2bt4 s PHE 1053N 0.88 3.40 0.04 -5.34 5.36 -1.26 -0.97 117.98 120.09 2bt4 s PHE 1053Ca 0.13 0.48 -0.04 0.00 -0.96 0.00 0.00 56.93 56.54 2bt4 s PHE 1053Cb -0.20 -2.34 -0.02 0.00 -0.34 0.00 0.00 43.02 40.12 2bt4 s PHE 1053CO -0.11 0.15 0.06 1.03 -1.46 0.00 0.00 175.22 174.89 2bt4 s ARG 1054N 0.77 0.56 -0.05 10.12 0.52 -0.04 -4.98 118.95 125.85 2bt4 s ARG 1054Ca 0.14 -0.81 -0.05 0.00 -0.52 0.00 0.00 55.73 54.50 2bt4 s ARG 1054Cb -0.13 0.21 0.01 0.00 0.52 0.00 0.00 34.95 35.56 2bt4 s ARG 1054CO 0.04 -0.13 0.13 -1.14 0.02 0.00 0.00 175.30 174.22 2bt4 s GLN 1055N -2.67 0.15 -0.08 3.54 -0.44 -1.26 -0.67 119.66 118.24 2bt4 s GLN 1055Ca -0.05 0.18 -0.12 0.00 -2.50 0.00 0.00 55.36 52.88 2bt4 s GLN 1055Cb -0.01 0.07 0.03 0.00 -1.64 0.00 0.00 33.01 31.46 2bt4 s GLN 1055CO -0.05 -0.02 0.31 0.45 0.50 0.00 0.00 175.29 176.48 2bt4 s SER 1056N 0.09 -0.27 0.00 6.67 0.15 -0.39 -4.96 113.70 114.99 2bt4 s SER 1056Ca -0.00 0.41 0.28 0.00 0.70 0.00 0.00 55.95 57.34 2bt4 s SER 1056Cb -0.01 0.51 1.10 0.00 -1.71 0.00 0.00 66.02 65.92 2bt4 s SER 1056CO 0.00 -0.25 1.79 0.59 1.20 0.00 0.00 173.24 176.57 2bt4 n ASN 1057N 2.24 0.51 -4.54 5.45 3.02 -1.26 -2.62 115.26 118.06 2bt4 n ASN 1057Ca -0.17 -0.51 -0.37 0.00 -0.03 0.00 0.00 54.58 53.51 2bt4 n ASN 1057Cb 0.57 -0.05 -0.11 0.00 -0.61 0.00 0.00 39.78 39.58 2bt4 n ASN 1057CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2bt4 s HIS 1058N -2.56 3.18 0.18 3.10 3.76 -1.26 -4.70 115.29 116.98 2bt4 s HIS 1058Ca 0.26 -0.10 -0.13 0.00 -0.15 0.00 0.00 55.06 54.93 2bt4 s HIS 1058Cb 0.20 -2.27 0.14 0.00 1.11 0.00 0.00 32.58 31.76 2bt4 s HIS 1058CO 0.50 -0.17 1.76 1.49 -0.85 0.00 0.00 174.74 177.47 2bt4 h GLU 1059N 7.98 0.35 -0.05 1.40 4.81 -2.00 -2.27 114.58 124.80 2bt4 h GLU 1059Ca -0.37 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 58.78 2bt4 h GLU 1059Cb 1.18 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 2bt4 h GLU 1059CO 0.59 0.23 -0.24 0.78 -0.73 0.00 0.00 179.01 179.65 2bt4 h GLY 1060N 0.37 0.09 1.35 1.92 0.00 -1.99 -1.94 103.07 102.86 2bt4 h GLY 1060Ca 0.22 -0.06 -0.20 0.00 0.00 0.00 0.00 47.33 47.29 2bt4 h GLY 1060CO -0.21 0.06 -0.70 -2.09 0.00 0.00 0.00 176.54 173.59 2bt4 h GLU 1061N 0.08 0.65 -0.81 4.80 4.81 -1.87 -1.33 114.58 120.91 2bt4 h GLU 1061Ca 0.01 -0.50 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 2bt4 h GLU 1061Cb 0.47 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.90 2bt4 h GLU 1061CO 0.03 1.12 0.48 -0.07 -0.73 0.00 0.00 179.01 179.84 2bt4 h LEU 1062N 0.46 0.97 -0.03 1.64 3.38 -1.07 -0.35 115.31 120.32 2bt4 h LEU 1062Ca -0.03 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2bt4 h LEU 1062Cb 1.30 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 2bt4 h LEU 1062CO 0.14 0.76 0.00 0.58 0.09 0.00 0.00 178.44 180.01 2bt4 h VAL 1063N 1.11 0.99 -0.65 1.22 2.07 -1.25 -0.14 116.25 119.60 2bt4 h VAL 1063Ca 0.29 -0.01 0.12 0.00 0.82 0.00 0.00 66.70 67.92 2bt4 h VAL 1063Cb -0.03 0.97 -0.09 0.00 -1.52 0.00 0.00 31.29 30.62 2bt4 h VAL 1063CO -0.05 0.00 0.18 0.44 0.02 0.00 0.00 177.57 178.16 2bt4 h ASP 1064N 0.02 0.09 0.20 0.57 3.32 -0.88 -1.61 116.42 118.12 2bt4 h ASP 1064Ca 0.01 0.11 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 2bt4 h ASP 1064Cb 0.01 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 2bt4 h ASP 1064CO -0.02 0.04 -0.48 -0.50 -1.72 0.00 0.00 179.24 176.56 2bt4 h TRP 1065N 0.32 0.39 -0.75 4.55 6.55 -0.65 -1.63 115.95 124.74 2bt4 h TRP 1065Ca 0.34 -0.12 -0.03 0.00 0.95 0.00 0.00 58.89 60.03 2bt4 h TRP 1065Cb 0.51 -0.08 -0.03 0.00 -0.86 0.00 0.00 29.16 28.70 2bt4 h TRP 1065CO -0.22 0.75 0.33 0.82 -1.05 0.00 0.00 178.44 179.07 2bt4 h ILE 1066N 0.26 1.25 -0.98 1.49 2.04 -0.49 -0.87 117.51 120.20 2bt4 h ILE 1066Ca 0.01 -0.73 0.04 0.00 1.00 0.00 0.00 64.86 65.18 2bt4 h ILE 1066Cb 0.94 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 37.31 2bt4 h ILE 1066CO 0.08 0.30 0.64 0.45 0.00 0.00 0.00 178.15 179.62 2bt4 h HIS 1067N 1.06 1.19 -0.28 1.37 3.86 -1.00 0.50 115.15 121.84 2bt4 h HIS 1067Ca 0.25 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.48 2bt4 h HIS 1067Cb 0.16 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 28.22 2bt4 h HIS 1067CO 0.01 0.68 0.11 1.49 0.86 0.00 0.00 177.93 181.08 2bt4 h GLU 1068N 1.22 0.43 -0.60 2.45 4.81 -0.78 -3.09 114.58 119.03 2bt4 h GLU 1068Ca 0.39 -0.08 0.05 0.00 -0.13 0.00 0.00 59.36 59.59 2bt4 h GLU 1068Cb 0.02 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.29 2bt4 h GLU 1068CO -0.12 0.46 0.32 0.00 -0.73 0.00 0.00 179.01 178.94 2bt4 h ALA 1069N 0.95 0.79 -1.04 2.92 0.00 -0.73 -1.43 119.26 120.71 2bt4 h ALA 1069Ca 0.09 0.02 0.27 0.00 0.00 0.00 0.00 54.91 55.29 2bt4 h ALA 1069Cb 0.19 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 17.77 2bt4 h ALA 1069CO -0.01 -0.00 0.65 -0.09 0.00 0.00 0.00 179.25 179.80 2bt4 h ARG 1070N 0.61 0.43 0.00 0.00 2.43 -0.83 -2.11 114.38 114.91 2bt4 h ARG 1070Ca 0.26 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 2bt4 h ARG 1070Cb 0.15 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2bt4 h ARG 1070CO -0.17 0.28 -1.68 1.28 -1.51 0.00 0.00 179.97 178.18 2bt4 n LEU 1071N -4.72 0.29 0.00 3.80 4.77 -0.93 -4.74 117.00 115.47 2bt4 n LEU 1071Ca 0.27 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 2bt4 n LEU 1071Cb 0.86 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 2bt4 n LEU 1071CO 0.22 -0.05 0.09 0.59 -1.33 0.00 0.00 177.39 176.91 2bt4 n ASN 1072N -2.41 0.35 -4.35 -1.43 3.02 -0.58 -5.08 115.26 104.76 2bt4 n ASN 1072Ca -0.03 -0.68 -0.19 0.00 -0.03 0.00 0.00 54.58 53.65 2bt4 n ASN 1072Cb 0.58 0.33 -0.10 0.00 -0.61 0.00 0.00 39.78 39.98 2bt4 n ASN 1072CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2bt4 s HIS 1073N -0.33 1.73 -1.89 3.10 3.76 -0.83 -4.51 115.29 116.31 2bt4 s HIS 1073Ca 0.00 -0.61 0.26 0.00 -0.15 0.00 0.00 55.06 54.56 2bt4 s HIS 1073Cb 0.00 -0.84 0.59 0.00 1.11 0.00 0.00 32.58 33.44 2bt4 s HIS 1073CO 0.00 0.32 1.46 0.00 -0.85 0.00 0.00 174.74 175.68 2bt4 n GLY 1075N 1.35 0.24 2.93 0.00 0.00 -1.26 -4.38 105.19 104.06 2bt4 n GLY 1075Ca 0.12 -0.99 -0.24 0.00 0.00 0.00 0.00 46.02 44.92 2bt4 n GLY 1075CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bt4 s ILE 1076N -2.00 0.85 -0.22 -0.61 1.01 -0.37 -1.23 121.20 118.62 2bt4 s ILE 1076Ca 0.00 -0.26 -0.05 0.00 0.00 0.00 0.00 60.65 60.34 2bt4 s ILE 1076Cb 0.00 -0.84 -0.02 0.00 0.01 0.00 0.00 42.46 41.61 2bt4 s ILE 1076CO 0.00 0.31 0.00 -0.69 0.00 0.00 0.00 174.94 174.56 2bt4 s VAL 1077N 1.15 3.82 -0.10 2.92 1.01 0.31 -1.19 120.40 128.32 2bt4 s VAL 1077Ca -0.06 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.58 2bt4 s VAL 1077Cb -0.14 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.51 2bt4 s VAL 1077CO -0.01 0.40 -0.09 -0.51 0.00 0.00 0.00 175.10 174.88 2bt4 s ILE 1078N 1.39 1.07 -0.65 2.22 2.07 0.10 -0.73 121.20 126.67 2bt4 s ILE 1078Ca 0.05 -0.36 -0.12 0.00 -1.41 0.00 0.00 60.65 58.81 2bt4 s ILE 1078Cb -0.15 -1.04 0.17 0.00 0.13 0.00 0.00 42.46 41.57 2bt4 s ILE 1078CO 0.00 0.36 0.57 0.21 -1.91 0.00 0.00 174.94 174.18 2bt4 s ASN 1079N 1.35 6.21 0.00 4.50 3.84 -0.39 -0.96 114.94 129.49 2bt4 s ASN 1079Ca -0.02 -2.29 0.21 0.00 0.21 0.00 0.00 52.86 50.97 2bt4 s ASN 1079Cb -0.14 -2.13 0.90 0.00 -0.55 0.00 0.00 41.25 39.34 2bt4 s ASN 1079CO -0.04 -0.66 1.68 -2.65 -2.79 0.00 0.00 177.10 172.63 2bt4 n PRO 1080N 4.48 0.00 0.00 0.43 -0.02 -1.26 -0.44 135.00 138.18 2bt4 n PRO 1080Ca 0.01 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2bt4 n PRO 1080Cb 0.43 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 2bt4 n PRO 1080CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bt4 n ALA 1081N -1.50 0.00 0.20 3.55 0.00 -1.26 -2.15 120.51 119.35 2bt4 n ALA 1081Ca 0.05 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.58 2bt4 n ALA 1081Cb 0.25 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.32 2bt4 n ALA 1081CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bt4 h ALA 1082N -0.90 2.02 0.00 0.00 0.00 -1.93 0.01 119.26 118.47 2bt4 h ALA 1082Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bt4 h ALA 1082Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2bt4 h ALA 1082CO 0.00 -0.04 0.00 0.66 0.00 0.00 0.00 179.25 179.87 2bt4 n TYR 1083N -4.52 0.49 -0.26 0.00 0.53 -0.91 -1.53 117.16 110.96 2bt4 n TYR 1083Ca -0.01 0.20 0.05 0.00 -1.02 0.00 0.00 57.90 57.12 2bt4 n TYR 1083Cb 0.14 -0.83 0.18 0.00 -1.03 0.00 0.00 39.34 37.81 2bt4 n TYR 1083CO 0.00 0.00 0.00 0.77 -1.02 0.00 0.00 176.86 176.61 2bt4 h SER 1084N 0.00 0.35 1.31 7.72 0.02 -1.01 -0.39 113.55 121.55 2bt4 h SER 1084Ca 0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2bt4 h SER 1084Cb 0.25 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2bt4 h SER 1084CO 0.00 0.15 -0.40 0.45 -1.14 0.00 0.00 176.83 175.89 2bt4 h HIS 1085N 0.50 0.00 0.00 3.45 3.86 -1.45 -0.82 115.15 120.69 2bt4 h HIS 1085Ca 0.41 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.62 2bt4 h HIS 1085Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 2bt4 h HIS 1085CO -0.14 0.00 -0.78 0.25 0.86 0.00 0.00 177.93 178.11 2bt4 n THR 1086N -2.50 0.00 -3.31 2.45 -2.24 -0.99 -4.79 114.28 102.90 2bt4 n THR 1086Ca 0.03 -0.05 -0.46 0.00 -2.27 0.00 0.00 64.05 61.30 2bt4 n THR 1086Cb 0.48 0.51 -0.04 0.00 -2.10 0.00 0.00 70.33 69.18 2bt4 n THR 1086CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2bt4 s SER 1087N -1.67 6.38 0.34 3.42 0.15 -0.19 -4.82 113.70 117.31 2bt4 s SER 1087Ca 0.00 -2.08 0.11 0.00 0.70 0.00 0.00 55.95 54.67 2bt4 s SER 1087Cb 0.00 -2.21 0.60 0.00 -1.71 0.00 0.00 66.02 62.69 2bt4 s SER 1087CO 0.00 -0.77 1.76 0.58 1.20 0.00 0.00 173.24 176.01 2bt4 h VAL 1088N 5.52 1.30 -0.99 4.45 2.07 -1.94 -2.99 116.25 123.67 2bt4 h VAL 1088Ca -0.16 -1.46 0.06 0.00 0.82 0.00 0.00 66.70 65.96 2bt4 h VAL 1088Cb 1.08 1.75 -0.06 0.00 -1.52 0.00 0.00 31.29 32.53 2bt4 h VAL 1088CO 0.95 0.42 0.64 0.00 0.02 0.00 0.00 177.57 179.60 2bt4 h ALA 1089N 1.53 1.41 -0.11 1.67 0.00 -1.98 0.14 119.26 121.92 2bt4 h ALA 1089Ca 0.00 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 2bt4 h ALA 1089Cb 0.76 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2bt4 h ALA 1089CO 0.06 0.45 -0.78 0.82 0.00 0.00 0.00 179.25 179.80 2bt4 h ILE 1090N 1.17 1.33 -0.35 0.00 2.04 -1.89 -1.40 117.51 118.41 2bt4 h ILE 1090Ca 0.42 -2.08 0.05 0.00 1.00 0.00 0.00 64.86 64.25 2bt4 h ILE 1090Cb 0.15 2.07 -0.04 0.00 -0.74 0.00 0.00 36.82 38.26 2bt4 h ILE 1090CO -0.16 0.64 0.09 0.25 0.00 0.00 0.00 178.15 178.97 2bt4 h LEU 1091N 0.40 0.05 -1.10 1.44 5.85 -1.31 -0.04 115.31 120.61 2bt4 h LEU 1091Ca -0.05 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 2bt4 h LEU 1091Cb 1.38 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.45 2bt4 h LEU 1091CO 0.15 0.07 0.10 0.44 -0.34 0.00 0.00 178.44 178.85 2bt4 h ASP 1092N 0.22 0.69 -0.19 1.25 3.32 -0.85 0.92 116.42 121.77 2bt4 h ASP 1092Ca 0.16 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2bt4 h ASP 1092Cb 0.17 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2bt4 h ASP 1092CO -0.20 0.69 0.08 0.00 -1.72 0.00 0.00 179.24 178.10 2bt4 h ALA 1093N 1.40 0.25 -0.89 3.45 0.00 -0.46 -2.73 119.26 120.27 2bt4 h ALA 1093Ca 0.16 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2bt4 h ALA 1093Cb 0.29 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2bt4 h ALA 1093CO 0.00 -0.17 0.56 -0.07 0.00 0.00 0.00 179.25 179.56 2bt4 h LEU 1094N 0.16 1.05 -2.39 0.00 3.38 -0.44 -2.27 115.31 114.82 2bt4 h LEU 1094Ca 0.06 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2bt4 h LEU 1094Cb 0.16 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2bt4 h LEU 1094CO -0.01 0.79 0.02 0.78 0.09 0.00 0.00 178.44 180.12 2bt4 h ASN 1095N 1.22 0.00 0.85 -0.43 2.35 -0.54 -0.91 115.58 118.13 2bt4 h ASN 1095Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 2bt4 h ASN 1095Cb -0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.29 2bt4 h ASN 1095CO -0.06 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 176.07 2bt4 n THR 1096N -3.93 0.51 -1.73 2.81 -2.24 -0.85 -4.18 114.28 104.67 2bt4 n THR 1096Ca -0.02 0.08 -0.40 0.00 -2.27 0.00 0.00 64.05 61.43 2bt4 n THR 1096Cb 0.11 -0.76 -0.01 0.00 -2.10 0.00 0.00 70.33 67.57 2bt4 n THR 1096CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bt4 n ASP 1098N 2.98 3.55 0.00 0.00 8.00 -1.26 -1.42 116.55 128.39 2bt4 n ASP 1098Ca 0.66 1.03 0.00 0.00 0.71 0.00 0.00 54.79 57.20 2bt4 n ASP 1098Cb 0.26 -1.47 0.00 0.00 -0.02 0.00 0.00 41.12 39.89 2bt4 n ASP 1098CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bt4 n GLY 1099N 3.89 1.76 3.75 0.44 0.00 -1.26 -5.02 105.19 108.76 2bt4 n GLY 1099Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 2bt4 n GLY 1099CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2bt4 s LEU 1100N 0.00 4.38 0.15 0.99 2.96 -0.51 -5.03 118.68 121.62 2bt4 s LEU 1100Ca 0.00 1.06 -0.30 0.00 -0.22 0.00 0.00 54.13 54.66 2bt4 s LEU 1100Cb 0.00 -2.85 -0.08 0.00 0.50 0.00 0.00 46.19 43.76 2bt4 s LEU 1100CO 0.00 0.07 1.31 -2.16 -1.32 0.00 0.00 176.35 174.26 2bt4 s PRO 1101N 0.04 4.38 -0.08 0.98 0.05 -1.26 -4.93 135.00 134.18 2bt4 s PRO 1101Ca 0.30 2.01 0.02 0.00 0.05 0.00 0.00 61.00 63.38 2bt4 s PRO 1101Cb -0.17 -3.24 0.01 0.00 0.05 0.00 0.00 34.50 31.16 2bt4 s PRO 1101CO 0.15 -0.30 -0.13 0.08 0.05 0.00 0.00 177.00 176.85 2bt4 s VAL 1102N 0.54 1.25 -0.07 -0.36 1.01 -1.26 -1.24 120.40 120.27 2bt4 s VAL 1102Ca 0.59 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 62.07 2bt4 s VAL 1102Cb -0.35 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 34.88 2bt4 s VAL 1102CO 0.34 0.38 -0.19 -0.69 0.00 0.00 0.00 175.10 174.95 2bt4 s VAL 1103N 0.75 1.63 -0.14 2.92 1.01 -0.33 -0.21 120.40 126.02 2bt4 s VAL 1103Ca -0.13 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 60.96 2bt4 s VAL 1103Cb -0.16 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 2bt4 s VAL 1103CO 0.03 0.46 0.20 -0.70 0.00 0.00 0.00 175.10 175.09 2bt4 s GLU 1104N 0.35 3.94 -0.03 2.72 2.12 -0.29 -0.72 118.70 126.79 2bt4 s GLU 1104Ca -0.14 -0.05 0.05 0.00 0.36 0.00 0.00 54.97 55.20 2bt4 s GLU 1104Cb -0.16 -3.33 -0.01 0.00 0.26 0.00 0.00 34.13 30.90 2bt4 s GLU 1104CO 0.06 0.48 -0.19 0.08 -0.54 0.00 0.00 175.26 175.14 2bt4 s VAL 1105N -0.20 1.54 -0.07 3.70 1.01 -0.13 -0.02 120.40 126.22 2bt4 s VAL 1105Ca 0.14 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.33 2bt4 s VAL 1105Cb -0.12 -1.30 0.02 0.00 0.00 0.00 0.00 36.38 34.97 2bt4 s VAL 1105CO 0.03 0.44 -0.09 -1.00 0.00 0.00 0.00 175.10 174.47 2bt4 s HIS 1106N -0.19 1.30 0.10 5.22 3.76 -0.28 -4.05 115.29 121.16 2bt4 s HIS 1106Ca 0.01 -0.51 -0.19 0.00 -0.15 0.00 0.00 55.06 54.22 2bt4 s HIS 1106Cb -0.10 -1.02 -0.07 0.00 1.11 0.00 0.00 32.58 32.50 2bt4 s HIS 1106CO 0.01 -0.32 1.59 0.82 -0.85 0.00 0.00 174.74 176.00 2bt4 h ILE 1107N 6.06 1.21 -3.50 0.60 2.04 -1.86 -1.47 117.51 120.59 2bt4 h ILE 1107Ca -0.32 -0.68 -0.49 0.00 1.00 0.00 0.00 64.86 64.37 2bt4 h ILE 1107Cb 1.17 1.17 0.02 0.00 -0.74 0.00 0.00 36.82 38.44 2bt4 h ILE 1107CO 0.45 0.22 0.06 -0.94 0.00 0.00 0.00 178.15 177.95 2bt4 s SER 1108N -5.78 6.34 -0.81 1.72 1.04 -1.26 -2.12 113.70 112.82 2bt4 s SER 1108Ca -0.14 0.92 -0.25 0.00 0.48 0.00 0.00 55.95 56.96 2bt4 s SER 1108Cb 0.08 -2.24 0.04 0.00 0.10 0.00 0.00 66.02 64.00 2bt4 s SER 1108CO 0.73 -0.48 1.29 0.21 0.98 0.00 0.00 173.24 175.97 2bt4 s ASN 1109N -3.81 6.27 0.65 7.02 3.84 -1.26 -2.03 114.94 125.62 2bt4 s ASN 1109Ca 0.47 -0.81 0.42 0.00 0.21 0.00 0.00 52.86 53.15 2bt4 s ASN 1109Cb -0.10 -2.55 2.32 0.00 -0.55 0.00 0.00 41.25 40.37 2bt4 s ASN 1109CO 0.40 -1.69 2.35 0.16 -2.79 0.00 0.00 177.10 175.53 2bt4 h ILE 1110N 6.23 0.11 0.00 -5.21 3.07 -1.91 -0.67 117.51 119.12 2bt4 h ILE 1110Ca -0.14 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.27 2bt4 h ILE 1110Cb 1.04 1.00 0.00 0.00 -0.27 0.00 0.00 36.82 38.59 2bt4 h ILE 1110CO 1.31 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 179.82 2bt4 n HIS 1111N -3.24 0.40 0.97 0.16 8.25 -1.26 -2.30 115.22 118.19 2bt4 n HIS 1111Ca -0.03 0.13 0.12 0.00 -0.26 0.00 0.00 57.72 57.68 2bt4 n HIS 1111Cb 0.07 -0.71 0.14 0.00 1.12 0.00 0.00 29.99 30.61 2bt4 n HIS 1111CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2bt4 n GLN 1112N -1.84 2.30 -0.02 -0.41 6.02 -0.26 -4.96 117.38 118.21 2bt4 n GLN 1112Ca 0.05 -1.90 0.00 0.00 -0.01 0.00 0.00 57.00 55.14 2bt4 n GLN 1112Cb 0.30 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.10 2bt4 n GLN 1112CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2bt4 n ARG 1113N 1.28 3.19 -1.74 -1.09 1.74 -0.97 -5.06 116.66 114.01 2bt4 n ARG 1113Ca 0.15 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.84 2bt4 n ARG 1113Cb 0.58 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 32.06 2bt4 n ARG 1113CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2bt4 n GLU 1114N -0.01 1.75 -0.28 5.56 4.71 -1.26 -4.89 120.64 126.21 2bt4 n GLU 1114Ca 0.00 0.64 0.11 0.00 -0.01 0.00 0.00 57.16 57.90 2bt4 n GLU 1114Cb 0.00 -2.56 0.35 0.00 -1.01 0.00 0.00 31.44 28.23 2bt4 n GLU 1114CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 2bt4 h PRO 1115N 1.54 0.73 0.00 3.49 0.11 -1.96 0.22 132.00 136.12 2bt4 h PRO 1115Ca -0.51 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.56 2bt4 h PRO 1115Cb 1.30 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2bt4 h PRO 1115CO 0.57 0.48 -0.01 0.27 -0.21 0.00 0.00 178.00 179.11 2bt4 h PHE 1116N 0.75 0.00 0.00 0.65 -5.15 -1.97 -1.27 116.94 109.95 2bt4 h PHE 1116Ca 0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.22 2bt4 h PHE 1116Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.84 2bt4 h PHE 1116CO -0.00 0.01 0.00 0.54 -2.00 0.00 0.00 178.31 176.85 2bt4 n ARG 1117N -4.18 0.26 0.17 6.09 1.74 0.77 -3.52 116.66 118.00 2bt4 n ARG 1117Ca -0.03 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.19 2bt4 n ARG 1117Cb 0.09 -1.50 0.38 0.00 -1.02 0.00 0.00 32.46 30.42 2bt4 n ARG 1117CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2bt4 h HIS 1118N 0.00 0.00 -3.59 -1.55 3.86 -1.22 -3.44 115.15 109.21 2bt4 h HIS 1118Ca 0.00 0.00 -0.68 0.00 -1.16 0.00 0.00 60.37 58.53 2bt4 h HIS 1118Cb 0.37 0.00 -0.19 0.00 1.06 0.00 0.00 27.41 28.64 2bt4 h HIS 1118CO 0.00 0.00 -0.69 -1.01 0.86 0.00 0.00 177.93 177.09 2bt4 s HIS 1119N -3.25 2.96 -0.08 2.45 3.76 -1.23 -4.88 115.29 115.02 2bt4 s HIS 1119Ca 0.07 -0.02 0.01 0.00 -0.15 0.00 0.00 55.06 54.98 2bt4 s HIS 1119Cb 0.09 -1.75 0.02 0.00 1.11 0.00 0.00 32.58 32.05 2bt4 s HIS 1119CO 0.58 0.29 -0.11 0.45 -0.85 0.00 0.00 174.74 175.10 2bt4 s SER 1120N -0.66 1.85 0.29 1.40 0.15 -1.26 -4.25 113.70 111.22 2bt4 s SER 1120Ca 0.10 -0.29 0.01 0.00 0.70 0.00 0.00 55.95 56.47 2bt4 s SER 1120Cb -0.11 -0.81 0.44 0.00 -1.71 0.00 0.00 66.02 63.82 2bt4 s SER 1120CO 0.02 -0.01 1.78 1.88 1.20 0.00 0.00 173.24 178.10 2bt4 h TYR 1121N 7.32 0.65 -0.52 3.44 -1.99 -1.45 -3.13 116.97 121.30 2bt4 h TYR 1121Ca -0.31 -0.10 -0.01 0.00 2.00 0.00 0.00 58.73 60.31 2bt4 h TYR 1121Cb 1.17 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 39.70 2bt4 h TYR 1121CO 0.48 0.68 0.28 0.28 -0.00 0.00 0.00 178.16 179.89 2bt4 h VAL 1122N 0.56 1.16 0.00 -2.88 2.07 -1.87 -1.97 116.25 113.32 2bt4 h VAL 1122Ca 0.11 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2bt4 h VAL 1122Cb 0.49 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2bt4 h VAL 1122CO 0.03 0.18 0.00 -1.20 0.02 0.00 0.00 177.57 176.59 2bt4 n SER 1123N -4.41 0.39 0.26 0.57 7.64 -1.18 -1.09 113.62 115.80 2bt4 n SER 1123Ca 0.04 0.63 0.16 0.00 1.01 0.00 0.00 58.87 60.71 2bt4 n SER 1123Cb 0.10 -0.70 0.55 0.00 -1.01 0.00 0.00 64.21 63.14 2bt4 n SER 1123CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2bt4 h GLN 1124N 0.00 0.00 0.00 1.43 4.20 -1.52 -3.32 115.11 115.89 2bt4 h GLN 1124Ca 0.00 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 2bt4 h GLN 1124Cb 0.18 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2bt4 h GLN 1124CO 0.00 0.00 -1.26 -2.13 -0.67 0.00 0.00 178.83 174.77 2bt4 n ARG 1125N -3.08 2.90 -1.71 1.46 3.00 -0.25 -5.03 116.66 113.94 2bt4 n ARG 1125Ca 0.02 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.44 2bt4 n ARG 1125Cb 0.36 -1.10 -0.01 0.00 0.00 0.00 0.00 32.46 31.72 2bt4 n ARG 1125CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bt4 n ALA 1126N -2.21 1.52 -0.03 5.13 0.00 -0.38 -4.86 120.51 119.67 2bt4 n ALA 1126Ca -0.07 0.36 -0.12 0.00 0.00 0.00 0.00 53.44 53.62 2bt4 n ALA 1126Cb 0.62 -2.29 -0.06 0.00 0.00 0.00 0.00 19.45 17.71 2bt4 n ALA 1126CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2bt4 h ASP 1127N 2.73 0.19 -4.11 0.00 3.32 -0.94 -3.45 116.42 114.16 2bt4 h ASP 1127Ca -0.47 -0.27 -0.56 0.00 0.02 0.00 0.00 57.03 55.76 2bt4 h ASP 1127Cb 1.27 -0.05 -0.21 0.00 0.22 0.00 0.00 39.33 40.56 2bt4 h ASP 1127CO 0.64 0.41 -0.82 -0.83 -1.72 0.00 0.00 179.24 176.91 2bt4 s GLY 1128N -2.87 1.27 -0.04 2.75 0.00 -1.16 -5.06 107.32 102.21 2bt4 s GLY 1128Ca -0.14 -1.28 -0.01 0.00 0.00 0.00 0.00 44.72 43.29 2bt4 s GLY 1128CO 0.70 -1.29 0.02 0.14 0.00 0.00 0.00 173.10 172.67 2bt4 s VAL 1129N -1.24 0.15 -0.16 1.40 1.01 -1.26 -1.14 120.40 119.16 2bt4 s VAL 1129Ca 0.08 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 2bt4 s VAL 1129Cb -0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 2bt4 s VAL 1129CO 0.05 0.19 -0.12 -0.69 0.00 0.00 0.00 175.10 174.52 2bt4 s VAL 1130N 1.60 3.01 -0.00 2.92 1.01 0.97 -4.98 120.40 124.93 2bt4 s VAL 1130Ca -0.02 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.32 2bt4 s VAL 1130Cb -0.13 -2.29 -0.00 0.00 0.00 0.00 0.00 36.38 33.96 2bt4 s VAL 1130CO -0.03 0.50 -0.04 0.00 0.00 0.00 0.00 175.10 175.53 2bt4 s ALA 1131N 0.75 0.32 0.00 5.51 0.00 -1.26 -1.12 121.76 125.96 2bt4 s ALA 1131Ca -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.72 2bt4 s ALA 1131Cb -0.15 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.90 2bt4 s ALA 1131CO 0.01 0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.25 2bt4 n GLY 1132N 2.92 0.68 1.85 0.00 0.00 -0.55 -4.71 105.19 105.38 2bt4 n GLY 1132Ca -0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 2bt4 n GLY 1132CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bt4 n GLY 1134N 0.17 0.52 0.14 0.00 0.00 -0.90 -2.65 105.19 102.47 2bt4 n GLY 1134Ca 0.32 -0.85 0.13 0.00 0.00 0.00 0.00 46.02 45.62 2bt4 n GLY 1134CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2bt4 h VAL 1135N 0.00 0.00 0.00 1.61 -1.51 -1.84 -2.19 116.25 112.32 2bt4 h VAL 1135Ca 0.00 -0.31 -0.01 0.00 -1.23 0.00 0.00 66.70 65.15 2bt4 h VAL 1135Cb 0.00 1.12 -0.00 0.00 -2.13 0.00 0.00 31.29 30.28 2bt4 h VAL 1135CO 0.00 0.00 -0.03 -0.61 -1.23 0.00 0.00 177.57 175.70 2bt4 h GLN 1136N 0.00 0.00 -0.01 5.19 4.15 -1.93 -1.63 115.11 120.88 2bt4 h GLN 1136Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2bt4 h GLN 1136Cb 0.46 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.15 2bt4 h GLN 1136CO 0.00 0.03 0.01 0.78 -1.93 0.00 0.00 178.83 177.73 2bt4 h GLY 1137N 0.35 0.00 1.40 2.39 0.00 -1.16 1.00 103.07 107.05 2bt4 h GLY 1137Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 2bt4 h GLY 1137CO 0.00 0.00 -0.24 -0.97 0.00 0.00 0.00 176.54 175.34 2bt4 h TYR 1138N 0.00 0.78 -0.60 5.60 -1.99 -1.51 -1.14 116.97 118.11 2bt4 h TYR 1138Ca 0.01 -0.18 -0.07 0.00 2.00 0.00 0.00 58.73 60.49 2bt4 h TYR 1138Cb 0.03 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 38.55 2bt4 h TYR 1138CO 0.00 0.86 0.10 0.28 -0.00 0.00 0.00 178.16 179.40 2bt4 h VAL 1139N 0.60 1.26 -0.69 -2.88 2.07 -0.94 -0.68 116.25 115.00 2bt4 h VAL 1139Ca 0.08 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.61 2bt4 h VAL 1139Cb 0.72 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 2bt4 h VAL 1139CO 0.06 0.37 0.45 -0.26 0.02 0.00 0.00 177.57 178.21 2bt4 h PHE 1140N 0.91 0.86 -0.41 1.57 0.05 -1.16 -0.46 116.94 118.29 2bt4 h PHE 1140Ca 0.18 0.02 0.04 0.00 3.82 0.00 0.00 57.97 62.04 2bt4 h PHE 1140Cb 0.43 -0.29 -0.04 0.00 2.00 0.00 0.00 35.95 38.05 2bt4 h PHE 1140CO 0.03 0.53 0.17 0.78 -0.18 0.00 0.00 178.31 179.64 2bt4 h GLY 1141N 0.92 0.54 1.00 -1.45 0.00 -0.57 0.19 103.07 103.70 2bt4 h GLY 1141Ca 0.26 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 2bt4 h GLY 1141CO -0.06 0.06 0.27 -2.08 0.00 0.00 0.00 176.54 174.72 2bt4 h VAL 1142N 0.35 1.23 -0.75 4.60 2.07 -0.82 -1.95 116.25 120.99 2bt4 h VAL 1142Ca 0.18 -0.69 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 2bt4 h VAL 1142Cb 0.14 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 2bt4 h VAL 1142CO -0.16 0.28 0.29 -0.33 0.02 0.00 0.00 177.57 177.66 2bt4 h GLU 1143N 0.88 1.11 -0.37 1.57 5.08 -0.50 -0.65 114.58 121.71 2bt4 h GLU 1143Ca 0.21 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 2bt4 h GLU 1143Cb 0.17 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2bt4 h GLU 1143CO -0.02 0.91 0.00 -0.09 -1.00 0.00 0.00 179.01 178.81 2bt4 h ARG 1144N 1.09 0.65 -0.79 2.33 9.65 -0.39 -1.95 114.38 124.96 2bt4 h ARG 1144Ca 0.25 -0.21 -0.03 0.00 -1.10 0.00 0.00 59.98 58.90 2bt4 h ARG 1144Cb 0.22 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.70 2bt4 h ARG 1144CO -0.02 0.75 0.39 0.82 2.80 0.00 0.00 179.97 184.71 2bt4 h ILE 1145N 0.47 1.25 -0.93 1.20 1.08 -1.02 -1.33 117.51 118.22 2bt4 h ILE 1145Ca 0.10 -0.68 0.01 0.00 -0.39 0.00 0.00 64.86 63.91 2bt4 h ILE 1145Cb 0.46 0.24 -0.05 0.00 -3.07 0.00 0.00 36.82 34.41 2bt4 h ILE 1145CO 0.02 0.29 0.62 0.00 -0.69 0.00 0.00 178.15 178.39 2bt4 h ALA 1146N 1.20 1.34 -0.20 1.87 0.00 -0.95 0.30 119.26 122.82 2bt4 h ALA 1146Ca 0.27 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 2bt4 h ALA 1146Cb 0.10 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2bt4 h ALA 1146CO -0.04 0.61 -0.40 0.00 0.00 0.00 0.00 179.25 179.43 2bt4 h ALA 1147N 1.42 0.95 0.00 0.00 0.00 -0.70 -2.93 119.26 117.99 2bt4 h ALA 1147Ca 0.34 -0.43 -0.26 0.00 0.00 0.00 0.00 54.91 54.57 2bt4 h ALA 1147Cb -0.14 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 2bt4 h ALA 1147CO -0.08 0.62 -1.60 -0.07 0.00 0.00 0.00 179.25 178.13 2bt4 h LEU 1148N 0.38 0.00 -0.10 0.00 3.38 -0.57 -3.23 115.31 115.17 2bt4 h LEU 1148Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2bt4 h LEU 1148Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2bt4 h LEU 1148CO 0.07 0.89 0.00 0.00 0.09 0.00 0.00 178.44 179.49 2bt4 n ALA 1149N -2.50 2.12 0.70 1.53 0.00 0.99 -5.02 120.51 118.32 2bt4 n ALA 1149Ca -0.14 -0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.34 2bt4 n ALA 1149Cb 0.99 -1.42 0.07 0.00 0.00 0.00 0.00 19.45 19.09 2bt4 n ALA 1149CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91