#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bi4 s ALA 1003N 0.00 3.44 -0.11 3.17 0.00 -1.26 -5.07 121.76 121.93 2bi4 s ALA 1003Ca 0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 51.96 51.24 2bi4 s ALA 1003Cb 0.00 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.59 2bi4 s ALA 1003CO 0.00 -0.50 0.01 -0.80 0.00 0.00 0.00 175.76 174.46 2bi4 s ASN 1004N -4.19 5.26 -0.06 0.00 0.01 -1.26 -5.09 114.94 109.61 2bi4 s ASN 1004Ca 0.50 0.11 -0.00 0.00 -0.71 0.00 0.00 52.86 52.75 2bi4 s ASN 1004Cb -0.10 -1.60 -0.03 0.00 0.41 0.00 0.00 41.25 39.92 2bi4 s ASN 1004CO 0.43 0.32 -0.02 -0.60 -1.51 0.00 0.00 177.10 175.73 2bi4 s ARG 1005N -0.54 2.87 -0.07 -0.60 3.00 -1.26 -5.11 118.95 117.23 2bi4 s ARG 1005Ca 0.09 -0.49 0.03 0.00 -1.00 0.00 0.00 55.73 54.37 2bi4 s ARG 1005Cb -0.12 -2.70 0.00 0.00 0.00 0.00 0.00 34.95 32.13 2bi4 s ARG 1005CO 0.02 0.68 -0.18 -1.64 0.00 0.00 0.00 175.30 174.18 2bi4 s MET 1006N -1.01 2.25 -0.22 5.12 -1.94 -1.26 -4.93 119.30 117.32 2bi4 s MET 1006Ca 0.14 -0.65 -0.00 0.00 -1.71 0.00 0.00 55.69 53.47 2bi4 s MET 1006Cb -0.11 -1.80 0.06 0.00 2.01 0.00 0.00 34.83 34.99 2bi4 s MET 1006CO 0.04 0.14 -0.02 0.42 -0.01 0.00 0.00 175.02 175.59 2bi4 s ILE 1007N 0.38 1.23 0.47 2.53 1.01 -1.26 -5.12 121.20 120.44 2bi4 s ILE 1007Ca -0.14 -1.03 0.03 0.00 0.00 0.00 0.00 60.65 59.51 2bi4 s ILE 1007Cb -0.16 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 2bi4 s ILE 1007CO 0.05 -0.14 0.01 -0.76 0.00 0.00 0.00 174.94 174.10 2bi4 s LEU 1008N 1.53 2.43 0.07 2.97 1.43 -1.26 -4.87 118.68 120.99 2bi4 s LEU 1008Ca -0.04 -1.57 -0.31 0.00 -1.03 0.00 0.00 54.13 51.18 2bi4 s LEU 1008Cb -0.18 -0.74 -0.06 0.00 0.03 0.00 0.00 46.19 45.24 2bi4 s LEU 1008CO -0.07 -0.74 1.26 0.20 0.23 0.00 0.00 176.35 177.23 2bi4 s ASN 1009N -3.81 6.99 0.42 2.29 -0.87 -1.26 -4.87 114.94 113.83 2bi4 s ASN 1009Ca 0.15 2.11 0.29 0.00 -1.57 0.00 0.00 52.86 53.84 2bi4 s ASN 1009Cb 0.04 -2.58 1.29 0.00 -0.02 0.00 0.00 41.25 39.98 2bi4 s ASN 1009CO 0.08 -0.54 1.88 -0.08 -2.57 0.00 0.00 177.10 175.87 2bi4 h GLU 1010N 6.85 0.00 -2.92 -0.60 4.81 -1.81 -3.42 114.58 117.49 2bi4 h GLU 1010Ca -0.41 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.67 2bi4 h GLU 1010Cb 1.21 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 30.33 2bi4 h GLU 1010CO 0.83 0.00 -0.35 0.99 -0.73 0.00 0.00 179.01 179.75 2bi4 s THR 1011N -3.55 -0.01 -0.15 0.32 2.01 -1.22 -5.07 115.64 107.97 2bi4 s THR 1011Ca 0.02 0.03 -0.17 0.00 0.31 0.00 0.00 61.69 61.88 2bi4 s THR 1011Cb 0.09 -0.47 0.04 0.00 0.01 0.00 0.00 72.50 72.18 2bi4 s THR 1011CO 0.44 0.01 0.45 0.00 -0.69 0.00 0.00 174.62 174.83 2bi4 s ALA 1012N 0.47 -1.13 -0.05 7.40 0.00 -1.26 -1.71 121.76 125.49 2bi4 s ALA 1012Ca -0.02 1.17 0.05 0.00 0.00 0.00 0.00 51.96 53.16 2bi4 s ALA 1012Cb -0.04 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 2bi4 s ALA 1012CO -0.02 -0.23 -0.20 -1.58 0.00 0.00 0.00 175.76 173.73 2bi4 s TRP 1013N -0.04 2.54 0.07 0.00 0.52 0.83 -4.94 118.94 117.94 2bi4 s TRP 1013Ca -0.02 -0.37 0.07 0.00 0.02 0.00 0.00 56.10 55.79 2bi4 s TRP 1013Cb -0.03 -1.60 -0.03 0.00 -1.15 0.00 0.00 33.47 30.66 2bi4 s TRP 1013CO 0.02 0.02 -0.18 -0.06 0.02 0.00 0.00 176.95 176.77 2bi4 s PHE 1014N -0.53 1.52 0.00 -1.98 0.08 -1.26 0.01 117.98 115.82 2bi4 s PHE 1014Ca 0.07 -0.41 0.00 0.00 0.12 0.00 0.00 56.93 56.71 2bi4 s PHE 1014Cb -0.11 -0.86 0.00 0.00 -0.57 0.00 0.00 43.02 41.48 2bi4 s PHE 1014CO 0.01 0.11 0.00 0.41 -0.10 0.00 0.00 175.22 175.65 2bi4 n GLY 1015N 1.41 2.37 3.33 4.36 0.00 -0.42 -4.73 105.19 111.51 2bi4 n GLY 1015Ca -0.19 -1.74 -0.54 0.00 0.00 0.00 0.00 46.02 43.54 2bi4 n GLY 1015CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bi4 n ARG 1016N 1.56 0.11 0.00 1.61 5.12 -1.26 -0.02 116.66 123.78 2bi4 n ARG 1016Ca 0.00 0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 2bi4 n ARG 1016Cb 0.00 -1.62 0.00 0.00 -1.16 0.00 0.00 32.46 29.68 2bi4 n ARG 1016CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2bi4 n GLY 1017N 7.16 1.03 0.31 -0.13 0.00 -1.26 -4.96 105.19 107.34 2bi4 n GLY 1017Ca 0.56 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.77 2bi4 n GLY 1017CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bi4 h ALA 1018N 0.00 1.18 0.00 4.61 0.00 -0.73 0.36 119.26 124.67 2bi4 h ALA 1018Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2bi4 h ALA 1018Cb 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2bi4 h ALA 1018CO 0.00 0.02 -0.11 -0.39 0.00 0.00 0.00 179.25 178.77 2bi4 h VAL 1019N 0.00 0.77 -0.63 0.00 -1.51 -1.91 -2.02 116.25 110.96 2bi4 h VAL 1019Ca -0.00 -0.44 0.06 0.00 -1.23 0.00 0.00 66.70 65.09 2bi4 h VAL 1019Cb 0.10 1.26 -0.04 0.00 -2.13 0.00 0.00 31.29 30.48 2bi4 h VAL 1019CO 0.00 0.11 0.42 1.23 -1.23 0.00 0.00 177.57 178.10 2bi4 h GLY 1020N 0.54 0.78 1.56 5.19 0.00 -1.31 -0.35 103.07 109.47 2bi4 h GLY 1020Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2bi4 h GLY 1020CO 0.01 0.18 0.00 0.00 0.00 0.00 0.00 176.54 176.74 2bi4 n ALA 1021N -2.47 1.93 0.21 3.60 0.00 -0.76 -4.00 120.51 119.02 2bi4 n ALA 1021Ca 0.09 -0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.37 2bi4 n ALA 1021Cb 0.24 -1.27 -0.04 0.00 0.00 0.00 0.00 19.45 18.38 2bi4 n ALA 1021CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2bi4 h LEU 1022N 0.00 -0.46 -0.98 0.00 5.85 -1.19 -2.76 115.31 115.77 2bi4 h LEU 1022Ca 0.00 0.02 0.30 0.00 0.84 0.00 0.00 57.88 59.04 2bi4 h LEU 1022Cb 0.15 0.12 -0.18 0.00 0.37 0.00 0.00 40.66 41.12 2bi4 h LEU 1022CO 0.00 -0.30 0.14 0.35 -0.34 0.00 0.00 178.44 178.29 2bi4 n THR 1023N -3.59 -0.41 -0.11 1.05 -2.24 -1.26 -0.42 114.28 107.31 2bi4 n THR 1023Ca -0.07 2.13 -0.10 0.00 -2.27 0.00 0.00 64.05 63.74 2bi4 n THR 1023Cb 0.21 -3.18 -0.03 0.00 -2.10 0.00 0.00 70.33 65.24 2bi4 n THR 1023CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2bi4 h ASP 1024N 0.00 0.49 -0.15 3.42 3.32 -1.79 -2.38 116.42 119.33 2bi4 h ASP 1024Ca 0.65 -0.24 0.04 0.00 0.02 0.00 0.00 57.03 57.50 2bi4 h ASP 1024Cb 1.46 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.84 2bi4 h ASP 1024CO -0.89 0.60 -0.08 -0.33 -1.72 0.00 0.00 179.24 176.83 2bi4 h GLU 1025N 0.35 -0.06 -0.63 3.56 4.39 -0.43 0.91 114.58 122.67 2bi4 h GLU 1025Ca 0.10 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.93 2bi4 h GLU 1025Cb 0.31 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 28.87 2bi4 h GLU 1025CO 0.00 -0.04 0.02 0.28 -1.16 0.00 0.00 179.01 178.11 2bi4 h VAL 1026N -0.07 0.50 0.22 3.13 2.07 -1.23 -2.42 116.25 118.46 2bi4 h VAL 1026Ca 0.09 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 2bi4 h VAL 1026Cb 0.19 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2bi4 h VAL 1026CO -0.19 0.02 -0.11 0.11 0.02 0.00 0.00 177.57 177.43 2bi4 h LYS 1027N 0.13 -0.29 0.00 1.57 1.57 -0.69 -2.51 116.57 116.36 2bi4 h LYS 1027Ca 0.33 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 2bi4 h LYS 1027Cb 0.54 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2bi4 h LYS 1027CO -0.52 0.05 0.06 0.54 -0.57 0.00 0.00 179.45 179.01 2bi4 n ARG 1028N -5.07 0.00 -2.82 3.15 1.74 0.30 -0.40 116.66 113.57 2bi4 n ARG 1028Ca -0.09 0.19 -0.01 0.00 -0.77 0.00 0.00 57.85 57.18 2bi4 n ARG 1028Cb 0.24 -1.56 0.05 0.00 -1.02 0.00 0.00 32.46 30.17 2bi4 n ARG 1028CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2bi4 n ARG 1029N -1.14 1.77 -0.23 5.56 1.85 -0.97 -5.06 116.66 118.44 2bi4 n ARG 1029Ca 0.00 -3.52 0.00 0.00 -1.00 0.00 0.00 57.85 53.33 2bi4 n ARG 1029Cb 0.06 -1.62 0.00 0.00 -1.05 0.00 0.00 32.46 29.85 2bi4 n ARG 1029CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2bi4 n GLY 1030N -0.60 0.00 0.00 2.89 0.00 0.47 -4.94 105.19 103.01 2bi4 n GLY 1030Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2bi4 n GLY 1030CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bi4 n TYR 1031N 0.06 0.00 0.03 1.61 4.01 -1.15 -5.05 117.16 116.67 2bi4 n TYR 1031Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2bi4 n TYR 1031Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2bi4 n TYR 1031CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2bi4 n GLN 1032N 0.00 0.00 -4.01 -0.72 1.13 -1.26 -5.01 117.38 107.51 2bi4 n GLN 1032Ca 0.00 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.95 2bi4 n GLN 1032Cb 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.24 2bi4 n GLN 1032CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2bi4 s LYS 1033N -2.00 0.37 -0.00 -1.09 2.20 -1.26 -4.14 119.74 113.82 2bi4 s LYS 1033Ca 0.00 -0.63 0.07 0.00 -0.36 0.00 0.00 55.97 55.05 2bi4 s LYS 1033Cb 0.00 -0.03 -0.02 0.00 -1.51 0.00 0.00 37.83 36.27 2bi4 s LYS 1033CO 0.00 -0.01 -0.22 0.00 -0.36 0.00 0.00 175.35 174.75 2bi4 s ALA 1034N -1.36 1.86 -0.33 3.13 0.00 -0.86 0.16 121.76 124.36 2bi4 s ALA 1034Ca -0.13 -1.00 -0.10 0.00 0.00 0.00 0.00 51.96 50.72 2bi4 s ALA 1034Cb -0.10 -0.45 -0.00 0.00 0.00 0.00 0.00 23.12 22.57 2bi4 s ALA 1034CO -0.00 0.45 0.18 -1.17 0.00 0.00 0.00 175.76 175.21 2bi4 s LEU 1035N -0.69 4.28 -0.25 0.00 2.96 -0.65 0.32 118.68 124.64 2bi4 s LEU 1035Ca 0.09 -0.58 -0.26 0.00 -0.22 0.00 0.00 54.13 53.16 2bi4 s LEU 1035Cb -0.09 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.57 2bi4 s LEU 1035CO -0.00 -0.23 0.90 -0.63 -1.32 0.00 0.00 176.35 175.07 2bi4 s ILE 1036N 1.62 4.76 -0.25 6.68 1.09 0.30 -1.90 121.20 133.51 2bi4 s ILE 1036Ca 0.04 1.67 -0.11 0.00 -1.10 0.00 0.00 60.65 61.15 2bi4 s ILE 1036Cb -0.17 -4.20 -0.05 0.00 -1.06 0.00 0.00 42.46 36.98 2bi4 s ILE 1036CO 0.07 -0.16 0.20 -0.69 -0.10 0.00 0.00 174.94 174.26 2bi4 s VAL 1037N 3.02 5.32 0.00 2.92 1.01 -0.59 0.42 120.40 132.50 2bi4 s VAL 1037Ca 0.38 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.60 2bi4 s VAL 1037Cb -0.15 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2bi4 s VAL 1037CO 0.08 0.30 0.00 0.41 0.00 0.00 0.00 175.10 175.89 2bi4 n THR 1038N 4.58 0.00 -3.45 3.92 -1.04 0.92 -2.82 114.28 116.39 2bi4 n THR 1038Ca -0.14 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.65 2bi4 n THR 1038Cb 0.52 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.06 2bi4 n THR 1038CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2bi4 n ASP 1039N -0.20 2.39 -0.09 8.00 8.00 -1.26 -1.95 116.55 131.44 2bi4 n ASP 1039Ca 0.00 -2.68 -0.10 0.00 0.71 0.00 0.00 54.79 52.73 2bi4 n ASP 1039Cb 0.00 -0.23 -0.12 0.00 -0.02 0.00 0.00 41.12 40.75 2bi4 n ASP 1039CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2bi4 n LYS 1040N -2.00 1.15 0.06 -1.24 4.81 -1.25 -3.75 118.16 115.93 2bi4 n LYS 1040Ca 0.07 0.03 -0.11 0.00 -0.87 0.00 0.00 58.31 57.43 2bi4 n LYS 1040Cb 0.60 -1.41 -0.05 0.00 0.02 0.00 0.00 35.03 34.19 2bi4 n LYS 1040CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 2bi4 h THR 1041N 0.00 0.74 -0.69 3.15 2.02 -1.95 0.91 112.91 117.08 2bi4 h THR 1041Ca -0.44 0.00 0.04 0.00 0.77 0.00 0.00 66.41 66.78 2bi4 h THR 1041Cb 1.90 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 69.01 2bi4 h THR 1041CO -0.00 0.00 0.45 -0.07 0.37 0.00 0.00 175.52 176.27 2bi4 h LEU 1042N -0.18 0.71 0.15 2.58 4.07 -1.97 0.11 115.31 120.76 2bi4 h LEU 1042Ca 0.04 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 2bi4 h LEU 1042Cb 0.23 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.81 2bi4 h LEU 1042CO -0.10 0.48 -0.07 0.58 -1.08 0.00 0.00 178.44 178.26 2bi4 h VAL 1043N 0.82 1.01 -0.32 1.22 2.07 -1.33 -2.54 116.25 117.18 2bi4 h VAL 1043Ca 0.28 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 2bi4 h VAL 1043Cb 0.08 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 2bi4 h VAL 1043CO -0.08 0.20 0.06 1.56 0.02 0.00 0.00 177.57 179.33 2bi4 h GLN 1044N -0.64 0.47 -0.12 1.57 4.20 0.11 -2.62 115.11 118.09 2bi4 h GLN 1044Ca -0.02 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2bi4 h GLN 1044Cb 0.48 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2bi4 h GLN 1044CO 0.03 0.46 0.00 0.00 -0.67 0.00 0.00 178.83 178.65 2bi4 n GLY 1046N 0.29 1.54 0.13 0.00 0.00 -0.99 -4.88 105.19 101.29 2bi4 n GLY 1046Ca 0.00 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 2bi4 n GLY 1046CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2bi4 h VAL 1047N 0.00 1.07 -0.55 1.61 2.07 -1.66 -3.22 116.25 115.57 2bi4 h VAL 1047Ca -0.31 -2.49 -0.10 0.00 0.82 0.00 0.00 66.70 64.61 2bi4 h VAL 1047Cb 1.05 2.83 -0.02 0.00 -1.52 0.00 0.00 31.29 33.63 2bi4 h VAL 1047CO 0.46 0.78 -0.07 0.58 0.02 0.00 0.00 177.57 179.35 2bi4 h VAL 1048N -0.09 1.27 -0.86 2.57 2.07 -1.79 -2.67 116.25 116.75 2bi4 h VAL 1048Ca -0.30 -1.21 0.22 0.00 0.82 0.00 0.00 66.70 66.23 2bi4 h VAL 1048Cb 1.94 0.94 -0.15 0.00 -1.52 0.00 0.00 31.29 32.50 2bi4 h VAL 1048CO 0.14 0.43 0.13 0.00 0.02 0.00 0.00 177.57 178.29 2bi4 h ALA 1049N 0.94 1.10 -1.39 1.67 0.00 -1.86 0.67 119.26 120.39 2bi4 h ALA 1049Ca 0.15 0.25 0.40 0.00 0.00 0.00 0.00 54.91 55.71 2bi4 h ALA 1049Cb 0.63 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 2bi4 h ALA 1049CO 0.04 -0.47 0.99 0.87 0.00 0.00 0.00 179.25 180.67 2bi4 h LYS 1050N 0.14 0.04 0.00 0.00 1.57 -1.48 0.48 116.57 117.31 2bi4 h LYS 1050Ca 0.52 -0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.87 2bi4 h LYS 1050Cb 1.01 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.25 2bi4 h LYS 1050CO -0.71 0.02 -2.31 0.28 -0.57 0.00 0.00 179.45 176.17 2bi4 n VAL 1051N -4.19 1.53 -0.33 0.50 0.31 0.22 -4.07 118.33 112.30 2bi4 n VAL 1051Ca 0.31 -0.32 0.06 0.00 -0.01 0.00 0.00 64.34 64.38 2bi4 n VAL 1051Cb 1.43 -1.91 0.25 0.00 -0.91 0.00 0.00 33.84 32.71 2bi4 n VAL 1051CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2bi4 h THR 1052N -0.99 0.97 -0.27 2.52 1.35 -0.46 -0.97 112.91 115.06 2bi4 h THR 1052Ca -0.64 -0.34 0.02 0.00 -0.55 0.00 0.00 66.41 64.90 2bi4 h THR 1052Cb 1.56 -0.10 -0.02 0.00 -1.73 0.00 0.00 68.15 67.86 2bi4 h THR 1052CO -0.38 0.18 0.14 0.44 -0.25 0.00 0.00 175.52 175.64 2bi4 h ASP 1053N 0.99 0.21 -0.63 5.36 3.32 -0.28 0.28 116.42 125.66 2bi4 h ASP 1053Ca 0.45 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.48 2bi4 h ASP 1053Cb 0.40 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 2bi4 h ASP 1053CO -0.21 0.16 0.26 0.11 -1.72 0.00 0.00 179.24 177.84 2bi4 h LYS 1054N 0.29 0.94 -0.32 3.56 1.57 -1.46 -0.98 116.57 120.17 2bi4 h LYS 1054Ca 0.11 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2bi4 h LYS 1054Cb 0.03 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 2bi4 h LYS 1054CO -0.07 0.79 0.15 0.52 -0.57 0.00 0.00 179.45 180.27 2bi4 h MET 1055N 0.89 0.46 0.19 3.15 2.86 -0.81 0.06 114.93 121.73 2bi4 h MET 1055Ca 0.21 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.79 2bi4 h MET 1055Cb 0.19 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 2bi4 h MET 1055CO -0.02 0.43 -0.27 -0.44 1.06 0.00 0.00 176.91 177.68 2bi4 h ASP 1056N 0.38 -0.74 -0.91 1.22 3.32 -0.21 0.76 116.42 120.23 2bi4 h ASP 1056Ca 0.11 0.08 0.11 0.00 0.02 0.00 0.00 57.03 57.35 2bi4 h ASP 1056Cb 0.12 0.27 -0.07 0.00 0.22 0.00 0.00 39.33 39.87 2bi4 h ASP 1056CO -0.01 -0.37 0.59 0.00 -1.72 0.00 0.00 179.24 177.72 2bi4 h ALA 1057N 0.15 1.67 -0.01 3.45 0.00 -1.01 0.67 119.26 124.18 2bi4 h ALA 1057Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2bi4 h ALA 1057Cb 0.51 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2bi4 h ALA 1057CO -0.10 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.27 2bi4 n ALA 1058N -2.40 2.65 -2.52 0.00 0.00 -0.01 -4.90 120.51 113.34 2bi4 n ALA 1058Ca 0.17 -0.20 -0.11 0.00 0.00 0.00 0.00 53.44 53.29 2bi4 n ALA 1058Cb 0.36 -1.42 0.01 0.00 0.00 0.00 0.00 19.45 18.40 2bi4 n ALA 1058CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bi4 n GLY 1059N 0.96 0.03 3.79 0.00 0.00 0.23 -5.02 105.19 105.18 2bi4 n GLY 1059Ca 0.21 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 2bi4 n GLY 1059CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bi4 s LEU 1060N -3.47 4.31 0.13 0.99 1.43 0.24 -4.98 118.68 117.33 2bi4 s LEU 1060Ca 0.11 0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 53.40 2bi4 s LEU 1060Cb -0.05 -2.24 -0.06 0.00 0.03 0.00 0.00 46.19 43.86 2bi4 s LEU 1060CO 0.14 0.24 0.96 0.00 0.23 0.00 0.00 176.35 177.92 2bi4 s ALA 1061N -0.21 3.26 -0.02 4.21 0.00 -1.26 -4.27 121.76 123.48 2bi4 s ALA 1061Ca 0.15 0.59 -0.16 0.00 0.00 0.00 0.00 51.96 52.54 2bi4 s ALA 1061Cb -0.13 -3.27 0.03 0.00 0.00 0.00 0.00 23.12 19.75 2bi4 s ALA 1061CO 0.04 0.01 0.34 1.67 0.00 0.00 0.00 175.76 177.81 2bi4 s TRP 1062N -0.20 -0.22 0.03 0.00 1.48 -1.26 -2.03 118.94 116.74 2bi4 s TRP 1062Ca 0.46 0.35 0.05 0.00 -1.06 0.00 0.00 56.10 55.89 2bi4 s TRP 1062Cb -0.24 0.12 -0.02 0.00 -1.16 0.00 0.00 33.47 32.17 2bi4 s TRP 1062CO 0.30 -0.40 -0.14 0.00 -4.06 0.00 0.00 176.95 172.65 2bi4 s ALA 1063N -1.27 1.19 0.22 2.67 0.00 0.15 -4.93 121.76 119.78 2bi4 s ALA 1063Ca -0.13 -0.78 0.08 0.00 0.00 0.00 0.00 51.96 51.13 2bi4 s ALA 1063Cb -0.05 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 2bi4 s ALA 1063CO 0.05 0.24 0.06 -1.50 0.00 0.00 0.00 175.76 174.61 2bi4 s ILE 1064N -0.72 3.91 -0.29 0.00 2.07 -1.26 0.11 121.20 125.02 2bi4 s ILE 1064Ca 0.03 -1.53 -0.00 0.00 -1.41 0.00 0.00 60.65 57.73 2bi4 s ILE 1064Cb -0.07 -3.05 0.14 0.00 0.13 0.00 0.00 42.46 39.61 2bi4 s ILE 1064CO 0.01 -0.25 0.31 -0.47 -1.91 0.00 0.00 174.94 172.62 2bi4 s TYR 1065N -2.02 -0.49 -0.48 3.50 5.04 0.17 -4.83 117.35 118.24 2bi4 s TYR 1065Ca 0.30 -0.18 0.03 0.00 -2.44 0.00 0.00 57.07 54.79 2bi4 s TYR 1065Cb -0.08 -0.44 0.54 0.00 0.35 0.00 0.00 41.96 42.32 2bi4 s TYR 1065CO 0.21 -0.93 1.79 -0.40 -1.34 0.00 0.00 175.55 174.88 2bi4 n ASP 1066N 5.26 5.03 -0.01 4.32 5.68 -1.26 -0.05 116.55 135.53 2bi4 n ASP 1066Ca -0.01 -3.73 0.14 0.00 -0.50 0.00 0.00 54.79 50.69 2bi4 n ASP 1066Cb 0.46 -0.79 0.56 0.00 -1.14 0.00 0.00 41.12 40.22 2bi4 n ASP 1066CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bi4 n GLY 1067N -1.01 -1.41 3.75 6.12 0.00 -1.21 -3.85 105.19 107.58 2bi4 n GLY 1067Ca 0.54 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 46.02 2bi4 n GLY 1067CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bi4 s VAL 1068N -2.94 2.29 0.11 1.61 1.01 -0.83 -5.00 120.40 116.66 2bi4 s VAL 1068Ca 0.15 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.38 2bi4 s VAL 1068Cb 0.19 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 2bi4 s VAL 1068CO 0.55 -0.01 -0.09 0.68 0.00 0.00 0.00 175.10 176.23 2bi4 s VAL 1069N -1.37 0.93 0.26 2.92 -7.23 -1.26 -4.59 120.40 110.06 2bi4 s VAL 1069Ca 0.72 -1.87 -0.31 0.00 -1.81 0.00 0.00 61.98 58.71 2bi4 s VAL 1069Cb -0.37 -1.62 -0.13 0.00 0.56 0.00 0.00 36.38 34.82 2bi4 s VAL 1069CO 0.44 -0.72 1.44 -2.65 -0.31 0.00 0.00 175.10 173.29 2bi4 n PRO 1070N 0.12 2.19 -3.31 4.82 -0.02 -1.26 -2.57 135.00 134.97 2bi4 n PRO 1070Ca -0.13 0.78 -0.15 0.00 -2.02 0.00 0.00 63.50 61.98 2bi4 n PRO 1070Cb 0.60 -2.46 0.04 0.00 -0.02 0.00 0.00 33.50 31.66 2bi4 n PRO 1070CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2bi4 n ASN 1071N 2.04 -6.62 -4.59 2.55 5.03 -1.26 -4.89 115.26 107.52 2bi4 n ASN 1071Ca 0.10 -0.62 -0.49 0.00 0.87 0.00 0.00 54.58 54.45 2bi4 n ASN 1071Cb 0.33 -4.72 -0.04 0.00 -1.02 0.00 0.00 39.78 34.33 2bi4 n ASN 1071CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 2bi4 n PRO 1072N -3.02 1.28 -3.90 3.52 -0.02 -1.06 -4.67 135.00 127.13 2bi4 n PRO 1072Ca -0.07 0.46 -0.21 0.00 -2.02 0.00 0.00 63.50 61.66 2bi4 n PRO 1072Cb 0.59 -1.99 -0.03 0.00 -0.02 0.00 0.00 33.50 32.04 2bi4 n PRO 1072CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2bi4 s THR 1073N -0.08 4.41 0.33 3.45 -4.23 -1.26 -0.50 115.64 117.76 2bi4 s THR 1073Ca 0.74 -1.22 0.10 0.00 -1.18 0.00 0.00 61.69 60.13 2bi4 s THR 1073Cb -0.84 -3.48 0.32 0.00 1.34 0.00 0.00 72.50 69.84 2bi4 s THR 1073CO 0.51 -0.28 1.75 0.40 -0.54 0.00 0.00 174.62 176.47 2bi4 h ILE 1074N 1.25 0.58 -0.72 2.99 2.04 -1.82 0.26 117.51 122.10 2bi4 h ILE 1074Ca -0.48 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 2bi4 h ILE 1074Cb 1.24 -0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 2bi4 h ILE 1074CO 0.59 0.11 0.28 0.71 0.00 0.00 0.00 178.15 179.84 2bi4 h THR 1075N 0.60 1.25 -0.17 -0.27 1.35 -1.95 0.12 112.91 113.83 2bi4 h THR 1075Ca 0.62 -0.79 -0.02 0.00 -0.55 0.00 0.00 66.41 65.67 2bi4 h THR 1075Cb 1.18 0.39 -0.01 0.00 -1.73 0.00 0.00 68.15 67.98 2bi4 h THR 1075CO -0.42 0.32 0.04 0.58 -0.25 0.00 0.00 175.52 175.79 2bi4 h VAL 1076N 1.05 1.20 -0.67 6.82 2.07 -0.92 -0.15 116.25 125.66 2bi4 h VAL 1076Ca 0.24 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2bi4 h VAL 1076Cb 0.21 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 2bi4 h VAL 1076CO -0.02 0.20 0.42 0.58 0.02 0.00 0.00 177.57 178.77 2bi4 h VAL 1077N 0.09 1.18 -0.16 2.57 2.07 -0.78 -0.64 116.25 120.58 2bi4 h VAL 1077Ca 0.05 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 2bi4 h VAL 1077Cb 0.26 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2bi4 h VAL 1077CO 0.00 0.19 -0.17 0.11 0.02 0.00 0.00 177.57 177.71 2bi4 h LYS 1078N 0.92 0.40 -0.90 1.57 1.57 -0.48 -1.67 116.57 117.97 2bi4 h LYS 1078Ca 0.24 -0.21 0.06 0.00 -1.87 0.00 0.00 60.65 58.86 2bi4 h LYS 1078Cb -0.06 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.20 2bi4 h LYS 1078CO -0.05 0.78 0.59 1.49 -0.57 0.00 0.00 179.45 181.69 2bi4 h GLU 1079N 0.03 1.02 0.50 3.15 4.81 -0.64 0.18 114.58 123.64 2bi4 h GLU 1079Ca 0.02 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2bi4 h GLU 1079Cb 0.71 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2bi4 h GLU 1079CO 0.04 0.67 -0.24 0.78 -0.73 0.00 0.00 179.01 179.54 2bi4 h GLY 1080N 1.05 -0.70 -0.55 1.92 0.00 -1.04 -0.40 103.07 103.35 2bi4 h GLY 1080Ca 0.38 0.26 0.19 0.00 0.00 0.00 0.00 47.33 48.16 2bi4 h GLY 1080CO -0.13 -0.26 -0.04 -2.00 0.00 0.00 0.00 176.54 174.11 2bi4 h LEU 1081N -1.05 -0.48 0.06 3.11 5.85 -0.98 0.33 115.31 122.15 2bi4 h LEU 1081Ca -0.07 0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.88 2bi4 h LEU 1081Cb 0.60 0.41 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 2bi4 h LEU 1081CO 0.11 -0.24 -0.29 1.23 -0.34 0.00 0.00 178.44 178.92 2bi4 h GLY 1082N 0.06 -1.20 -0.02 3.75 0.00 -0.46 0.24 103.07 105.44 2bi4 h GLY 1082Ca 0.44 0.60 0.20 0.00 0.00 0.00 0.00 47.33 48.58 2bi4 h GLY 1082CO -0.76 -0.36 0.49 -2.08 0.00 0.00 0.00 176.54 173.83 2bi4 h VAL 1083N -0.40 0.59 -0.08 4.60 2.07 0.77 -1.08 116.25 122.72 2bi4 h VAL 1083Ca -0.00 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 2bi4 h VAL 1083Cb 0.41 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2bi4 h VAL 1083CO -0.16 0.10 0.04 0.15 0.02 0.00 0.00 177.57 177.72 2bi4 h PHE 1084N 0.57 0.12 0.00 1.57 3.57 0.34 -2.49 116.94 120.62 2bi4 h PHE 1084Ca 0.56 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.06 2bi4 h PHE 1084Cb 0.97 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.68 2bi4 h PHE 1084CO -0.07 0.19 0.01 1.04 -2.23 0.00 0.00 178.31 177.24 2bi4 n GLN 1085N -4.97 0.00 -2.81 1.11 6.02 0.75 -2.54 117.38 114.95 2bi4 n GLN 1085Ca -0.06 0.43 -0.21 0.00 -0.01 0.00 0.00 57.00 57.16 2bi4 n GLN 1085Cb 0.08 -1.51 -0.01 0.00 1.02 0.00 0.00 30.24 29.83 2bi4 n GLN 1085CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2bi4 n ASN 1086N -1.43 3.04 0.00 1.08 5.03 -0.94 -4.83 115.26 117.21 2bi4 n ASN 1086Ca 0.00 -3.33 0.00 0.00 0.87 0.00 0.00 54.58 52.12 2bi4 n ASN 1086Cb 0.01 -0.54 0.00 0.00 -1.02 0.00 0.00 39.78 38.22 2bi4 n ASN 1086CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 2bi4 n SER 1087N -0.15 0.00 0.00 6.41 3.41 -1.05 -4.97 113.62 117.27 2bi4 n SER 1087Ca 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 2bi4 n SER 1087Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 2bi4 n SER 1087CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bi4 n GLY 1088N 0.00 0.40 3.62 5.00 0.00 -1.26 -4.97 105.19 107.99 2bi4 n GLY 1088Ca 0.00 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 2bi4 n GLY 1088CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bi4 s ALA 1089N -2.00 3.21 0.10 4.61 0.00 -1.26 -4.27 121.76 122.15 2bi4 s ALA 1089Ca 0.00 0.39 -0.03 0.00 0.00 0.00 0.00 51.96 52.32 2bi4 s ALA 1089Cb 0.00 -3.87 -0.19 0.00 0.00 0.00 0.00 23.12 19.05 2bi4 s ALA 1089CO 0.00 -2.05 1.22 0.22 0.00 0.00 0.00 175.76 175.15 2bi4 h ASP 1090N 10.93 0.41 -5.09 0.00 1.82 0.12 -3.48 116.42 121.13 2bi4 h ASP 1090Ca -0.33 -0.40 0.09 0.00 -0.39 0.00 0.00 57.03 56.01 2bi4 h ASP 1090Cb 1.15 -0.13 -0.06 0.00 0.68 0.00 0.00 39.33 40.97 2bi4 h ASP 1090CO 1.01 1.26 0.30 -0.72 -1.61 0.00 0.00 179.24 179.48 2bi4 s TYR 1091N -2.89 -0.16 0.14 0.28 1.13 -0.34 -4.72 117.35 110.79 2bi4 s TYR 1091Ca -0.04 -0.27 0.08 0.00 -1.41 0.00 0.00 57.07 55.42 2bi4 s TYR 1091Cb 0.08 0.70 -0.04 0.00 -1.10 0.00 0.00 41.96 41.60 2bi4 s TYR 1091CO 0.87 -1.15 -0.17 -0.48 -2.51 0.00 0.00 175.55 172.11 2bi4 s LEU 1092N -2.94 2.40 -0.14 -3.49 2.34 -0.73 -1.64 118.68 114.49 2bi4 s LEU 1092Ca 0.12 -0.81 0.02 0.00 0.06 0.00 0.00 54.13 53.51 2bi4 s LEU 1092Cb -0.05 -0.75 0.01 0.00 -0.56 0.00 0.00 46.19 44.84 2bi4 s LEU 1092CO 0.06 -0.05 -0.20 -0.63 -1.06 0.00 0.00 176.35 174.46 2bi4 s ILE 1093N -1.93 2.24 -0.33 1.48 1.01 -0.80 -0.44 121.20 122.44 2bi4 s ILE 1093Ca 0.12 -0.92 -0.13 0.00 0.00 0.00 0.00 60.65 59.72 2bi4 s ILE 1093Cb -0.06 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 2bi4 s ILE 1093CO 0.05 0.54 0.24 0.00 0.00 0.00 0.00 174.94 175.77 2bi4 s ALA 1094N 0.82 3.51 -0.25 9.38 0.00 0.70 -1.55 121.76 134.38 2bi4 s ALA 1094Ca -0.06 -1.30 0.01 0.00 0.00 0.00 0.00 51.96 50.61 2bi4 s ALA 1094Cb -0.15 -2.64 0.05 0.00 0.00 0.00 0.00 23.12 20.38 2bi4 s ALA 1094CO -0.01 -0.88 -0.09 0.42 0.00 0.00 0.00 175.76 175.19 2bi4 s ILE 1095N 1.75 2.43 -5.00 0.00 1.01 -1.13 0.41 121.20 120.67 2bi4 s ILE 1095Ca 0.07 -1.38 0.00 0.00 0.00 0.00 0.00 60.65 59.34 2bi4 s ILE 1095Cb -0.17 -2.33 0.00 0.00 0.01 0.00 0.00 42.46 39.97 2bi4 s ILE 1095CO 0.11 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.74 2bi4 n GLY 1096N 4.54 0.71 0.00 6.18 0.00 -0.81 -4.52 105.19 111.29 2bi4 n GLY 1096Ca -0.15 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 43.98 2bi4 n GLY 1096CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bi4 n GLY 1097N -1.37 -2.08 0.27 -0.02 0.00 -1.26 -3.20 105.19 97.53 2bi4 n GLY 1097Ca 0.00 -1.37 0.13 0.00 0.00 0.00 0.00 46.02 44.78 2bi4 n GLY 1097CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bi4 h GLY 1098N 0.00 0.00 0.51 -0.02 0.00 -1.96 -2.54 103.07 99.06 2bi4 h GLY 1098Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2bi4 h GLY 1098CO 0.00 0.00 -0.24 1.76 0.00 0.00 0.00 176.54 178.06 2bi4 h SER 1099N 0.00 -0.58 0.19 0.19 0.02 -1.91 0.67 113.55 112.13 2bi4 h SER 1099Ca -0.00 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 2bi4 h SER 1099Cb 0.22 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 2bi4 h SER 1099CO 0.01 -0.21 -0.19 1.55 -1.14 0.00 0.00 176.83 176.86 2bi4 h PRO 1100N -1.09 0.00 -0.11 3.45 0.13 -1.88 0.13 132.00 132.64 2bi4 h PRO 1100Ca -0.07 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.96 2bi4 h PRO 1100Cb 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 2bi4 h PRO 1100CO 0.11 0.19 -0.34 1.96 -0.23 0.00 0.00 178.00 179.69 2bi4 h GLN 1101N 0.00 0.42 -0.09 0.86 4.20 -1.45 0.20 115.11 119.25 2bi4 h GLN 1101Ca -0.00 -0.31 -0.10 0.00 0.06 0.00 0.00 58.65 58.30 2bi4 h GLN 1101Cb 0.33 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 2bi4 h GLN 1101CO 0.02 0.93 -0.40 -0.44 -0.67 0.00 0.00 178.83 178.27 2bi4 h ASP 1102N -0.01 0.19 -0.12 1.46 5.19 0.62 -1.56 116.42 122.20 2bi4 h ASP 1102Ca -0.01 -0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.31 2bi4 h ASP 1102Cb 0.97 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.42 2bi4 h ASP 1102CO 0.07 0.58 0.02 0.74 -3.12 0.00 0.00 179.24 177.54 2bi4 h THR 1103N 0.16 1.21 -0.60 0.35 2.02 -0.69 -2.38 112.91 112.98 2bi4 h THR 1103Ca 0.01 -0.67 0.07 0.00 0.77 0.00 0.00 66.41 66.59 2bi4 h THR 1103Cb 0.79 1.43 -0.06 0.00 -1.74 0.00 0.00 68.15 68.57 2bi4 h THR 1103CO 0.06 0.20 0.28 0.00 0.37 0.00 0.00 175.52 176.43 2bi4 h LYS 1105N 0.52 1.04 0.31 0.00 1.57 -1.25 0.09 116.57 118.85 2bi4 h LYS 1105Ca 0.28 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2bi4 h LYS 1105Cb 0.25 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2bi4 h LYS 1105CO -0.22 0.95 -0.32 0.00 -0.57 0.00 0.00 179.45 179.29 2bi4 h ALA 1106N 1.14 -0.67 -0.72 3.86 0.00 -0.78 -1.04 119.26 121.05 2bi4 h ALA 1106Ca 0.20 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.09 2bi4 h ALA 1106Cb 0.41 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 2bi4 h ALA 1106CO 0.01 -0.91 0.37 0.82 0.00 0.00 0.00 179.25 179.54 2bi4 h ILE 1107N -0.66 0.88 -0.78 0.00 2.04 -0.89 -1.74 117.51 116.37 2bi4 h ILE 1107Ca -0.01 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 2bi4 h ILE 1107Cb 0.60 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 2bi4 h ILE 1107CO -0.07 0.12 0.38 1.23 0.00 0.00 0.00 178.15 179.81 2bi4 h GLY 1108N 0.65 1.18 0.43 5.37 0.00 -0.53 -1.92 103.07 108.25 2bi4 h GLY 1108Ca 0.34 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 2bi4 h GLY 1108CO -0.25 0.54 -0.07 -2.22 0.00 0.00 0.00 176.54 174.54 2bi4 h ILE 1109N 1.10 0.94 -0.89 2.60 1.08 -0.68 -2.12 117.51 119.54 2bi4 h ILE 1109Ca 0.27 -1.07 0.02 0.00 -0.39 0.00 0.00 64.86 63.68 2bi4 h ILE 1109Cb 0.10 1.53 -0.05 0.00 -3.07 0.00 0.00 36.82 35.34 2bi4 h ILE 1109CO -0.04 0.23 0.59 0.40 -0.69 0.00 0.00 178.15 178.64 2bi4 h ILE 1110N -0.78 1.20 0.00 -0.67 2.04 -1.36 0.32 117.51 118.26 2bi4 h ILE 1110Ca -0.02 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.44 2bi4 h ILE 1110Cb 0.53 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2bi4 h ILE 1110CO 0.03 0.21 0.00 -0.24 0.00 0.00 0.00 178.15 178.16 2bi4 n SER 1111N -4.41 0.00 0.00 1.72 2.88 -0.72 -1.39 113.62 111.69 2bi4 n SER 1111Ca 0.11 -0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 2bi4 n SER 1111Cb 0.05 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 2bi4 n SER 1111CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2bi4 n ASN 1112N -1.03 0.57 -3.16 -3.46 5.03 -0.44 -4.82 115.26 107.94 2bi4 n ASN 1112Ca 0.05 -0.09 -0.23 0.00 0.87 0.00 0.00 54.58 55.17 2bi4 n ASN 1112Cb 0.03 0.30 -0.05 0.00 -1.02 0.00 0.00 39.78 39.04 2bi4 n ASN 1112CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2bi4 n ASN 1113N -0.36 2.26 0.12 6.41 3.02 1.00 -4.70 115.26 123.00 2bi4 n ASN 1113Ca 0.00 -3.21 0.19 0.00 -0.03 0.00 0.00 54.58 51.52 2bi4 n ASN 1113Cb 0.00 -0.62 0.64 0.00 -0.61 0.00 0.00 39.78 39.19 2bi4 n ASN 1113CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2bi4 h PRO 1114N 3.42 0.00 -1.25 3.52 0.11 -1.48 -0.50 132.00 135.82 2bi4 h PRO 1114Ca 0.12 0.00 0.39 0.00 0.11 0.00 0.00 66.00 66.62 2bi4 h PRO 1114Cb 0.76 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 31.76 2bi4 h PRO 1114CO 0.64 0.00 0.81 0.93 -0.21 0.00 0.00 178.00 180.17 2bi4 h GLU 1115N 0.00 0.16 -2.29 1.05 5.08 -1.91 -2.49 114.58 114.17 2bi4 h GLU 1115Ca 0.18 -0.01 -0.65 0.00 -1.00 0.00 0.00 59.36 57.88 2bi4 h GLU 1115Cb 1.40 -0.04 -0.38 0.00 0.50 0.00 0.00 28.75 30.23 2bi4 h GLU 1115CO -0.00 0.10 -0.16 1.19 -1.00 0.00 0.00 179.01 179.15 2bi4 n PHE 1116N -4.66 3.65 1.41 4.33 3.01 -0.20 -4.76 117.46 120.24 2bi4 n PHE 1116Ca 0.34 -3.59 0.13 0.00 1.01 0.00 0.00 57.45 55.34 2bi4 n PHE 1116Cb 1.28 -0.70 0.71 0.00 -0.01 0.00 0.00 39.48 40.76 2bi4 n PHE 1116CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2bi4 n ALA 1117N -0.08 2.38 -0.04 4.37 0.00 -0.94 -3.70 120.51 122.50 2bi4 n ALA 1117Ca 0.35 -0.14 -0.00 0.00 0.00 0.00 0.00 53.44 53.65 2bi4 n ALA 1117Cb 0.36 -1.43 -0.00 0.00 0.00 0.00 0.00 19.45 18.38 2bi4 n ALA 1117CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2bi4 h ASP 1118N 0.00 -0.02 0.00 0.00 1.82 -1.87 -3.49 116.42 112.86 2bi4 h ASP 1118Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2bi4 h ASP 1118Cb 0.15 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.16 2bi4 h ASP 1118CO 0.00 0.46 0.00 0.52 -1.61 0.00 0.00 179.24 178.61 2bi4 n VAL 1119N -4.67 0.00 0.00 2.25 0.31 -1.24 -4.87 118.33 110.10 2bi4 n VAL 1119Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2bi4 n VAL 1119Cb 0.01 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2bi4 n VAL 1119CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2bi4 n ARG 1120N -1.95 0.77 -2.33 5.55 1.74 -1.26 -4.68 116.66 114.49 2bi4 n ARG 1120Ca 0.00 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.69 2bi4 n ARG 1120Cb 0.00 -0.92 -0.02 0.00 -1.02 0.00 0.00 32.46 30.50 2bi4 n ARG 1120CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2bi4 n SER 1121N -2.21 4.32 0.00 0.55 3.41 -1.26 -1.82 113.62 116.60 2bi4 n SER 1121Ca 0.00 -2.85 0.00 0.00 -0.26 0.00 0.00 58.87 55.76 2bi4 n SER 1121Cb 0.42 -1.72 0.00 0.00 -0.26 0.00 0.00 64.21 62.66 2bi4 n SER 1121CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2bi4 n LEU 1122N 9.56 0.00 -4.97 1.04 7.94 -1.26 -4.68 117.00 124.63 2bi4 n LEU 1122Ca 0.48 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 55.13 2bi4 n LEU 1122Cb 0.45 0.00 0.11 0.00 0.53 0.00 0.00 43.42 44.52 2bi4 n LEU 1122CO 0.77 0.00 0.61 -0.70 -1.11 0.00 0.00 177.39 176.96 2bi4 s GLU 1123N 0.00 1.58 2.77 1.96 2.12 -0.75 -4.33 118.70 122.05 2bi4 s GLU 1123Ca 0.00 -0.84 0.00 0.00 0.36 0.00 0.00 54.97 54.49 2bi4 s GLU 1123Cb 0.00 -2.22 0.00 0.00 0.26 0.00 0.00 34.13 32.17 2bi4 s GLU 1123CO 0.00 -1.57 0.00 0.41 -0.54 0.00 0.00 175.26 173.56 2bi4 n GLY 1124N -3.00 2.06 3.46 -1.50 0.00 -0.54 -3.09 105.19 102.57 2bi4 n GLY 1124Ca 0.14 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 2bi4 n GLY 1124CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2bi4 n LEU 1125N 0.00 5.22 -4.34 0.99 4.77 -1.26 0.58 117.00 122.97 2bi4 n LEU 1125Ca 0.00 -4.09 -0.54 0.00 -0.03 0.00 0.00 56.01 51.35 2bi4 n LEU 1125Cb 0.00 -1.70 -0.12 0.00 -2.33 0.00 0.00 43.42 39.26 2bi4 n LEU 1125CO 0.00 0.41 1.89 -1.20 -1.33 0.00 0.00 177.39 177.15 2bi4 n SER 1126N 7.39 0.71 -2.53 -1.43 7.64 0.02 -4.78 113.62 120.64 2bi4 n SER 1126Ca 0.46 0.50 -0.09 0.00 1.01 0.00 0.00 58.87 60.75 2bi4 n SER 1126Cb 0.44 -0.93 -0.06 0.00 -1.01 0.00 0.00 64.21 62.65 2bi4 n SER 1126CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2bi4 n PRO 1127N 7.85 1.13 -2.64 1.43 -0.04 -1.26 -4.82 135.00 136.65 2bi4 n PRO 1127Ca 0.57 -0.69 -0.36 0.00 -0.04 0.00 0.00 63.50 62.98 2bi4 n PRO 1127Cb 0.00 -1.91 -0.05 0.00 -0.04 0.00 0.00 33.50 31.50 2bi4 n PRO 1127CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2bi4 s THR 1128N 2.57 3.94 -0.75 0.52 -4.23 -1.26 -4.97 115.64 111.46 2bi4 s THR 1128Ca 0.31 1.45 0.15 0.00 -1.18 0.00 0.00 61.69 62.41 2bi4 s THR 1128Cb 0.13 -3.73 -0.14 0.00 1.34 0.00 0.00 72.50 70.09 2bi4 s THR 1128CO -0.01 -0.03 0.64 0.59 -0.54 0.00 0.00 174.62 175.27 2bi4 n ASN 1129N -0.07 0.77 -4.00 3.99 3.02 -1.26 -4.97 115.26 112.73 2bi4 n ASN 1129Ca 0.05 -0.88 -0.19 0.00 -0.03 0.00 0.00 54.58 53.53 2bi4 n ASN 1129Cb 0.51 0.95 -0.15 0.00 -0.61 0.00 0.00 39.78 40.48 2bi4 n ASN 1129CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2bi4 s LYS 1130N -2.32 0.76 0.35 3.52 -0.14 -1.26 -5.13 119.74 115.52 2bi4 s LYS 1130Ca 0.06 -0.29 -0.28 0.00 -1.36 0.00 0.00 55.97 54.09 2bi4 s LYS 1130Cb 0.11 -0.73 -0.11 0.00 -1.68 0.00 0.00 37.83 35.42 2bi4 s LYS 1130CO 0.58 0.15 1.37 -1.25 -0.76 0.00 0.00 175.35 175.44 2bi4 s PRO 1131N -0.05 4.27 1.02 -1.68 0.04 -1.26 -4.79 135.00 132.56 2bi4 s PRO 1131Ca 0.01 2.34 -0.14 0.00 0.04 0.00 0.00 61.00 63.25 2bi4 s PRO 1131Cb -0.05 -3.04 0.11 0.00 0.04 0.00 0.00 34.50 31.56 2bi4 s PRO 1131CO -0.00 -0.31 0.51 0.45 0.04 0.00 0.00 177.00 177.69 2bi4 n SER 1132N 0.70 -1.71 -4.74 6.66 2.88 -1.00 -4.91 113.62 111.50 2bi4 n SER 1132Ca 0.00 0.16 -0.42 0.00 -1.33 0.00 0.00 58.87 57.28 2bi4 n SER 1132Cb 0.41 -1.19 -0.02 0.00 -0.75 0.00 0.00 64.21 62.66 2bi4 n SER 1132CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2bi4 s VAL 1133N -2.40 2.16 0.03 2.46 1.01 -0.80 -4.85 120.40 118.02 2bi4 s VAL 1133Ca 0.60 0.13 -0.37 0.00 0.00 0.00 0.00 61.98 62.34 2bi4 s VAL 1133Cb -0.20 -3.08 -0.16 0.00 0.00 0.00 0.00 36.38 32.94 2bi4 s VAL 1133CO 0.65 0.02 1.48 -0.81 0.00 0.00 0.00 175.10 176.44 2bi4 n PRO 1134N 2.49 1.40 -4.78 2.72 -0.04 -1.26 -4.77 135.00 130.76 2bi4 n PRO 1134Ca 0.09 0.51 -0.26 0.00 -0.04 0.00 0.00 63.50 63.80 2bi4 n PRO 1134Cb 0.38 -2.19 -0.16 0.00 -0.04 0.00 0.00 33.50 31.48 2bi4 n PRO 1134CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2bi4 s ILE 1135N 1.27 1.38 -0.32 0.52 2.07 -1.26 -1.77 121.20 123.09 2bi4 s ILE 1135Ca 0.86 -0.65 -0.11 0.00 -1.41 0.00 0.00 60.65 59.34 2bi4 s ILE 1135Cb -0.91 -1.22 -0.01 0.00 0.13 0.00 0.00 42.46 40.46 2bi4 s ILE 1135CO 0.48 0.41 0.18 -0.76 -1.91 0.00 0.00 174.94 173.34 2bi4 s LEU 1136N 0.35 4.27 -0.13 8.50 1.02 0.41 -1.19 118.68 131.91 2bi4 s LEU 1136Ca -0.11 -0.54 -0.18 0.00 0.02 0.00 0.00 54.13 53.33 2bi4 s LEU 1136Cb -0.14 -2.04 -0.04 0.00 0.02 0.00 0.00 46.19 43.99 2bi4 s LEU 1136CO 0.04 -0.22 0.45 0.00 0.02 0.00 0.00 176.35 176.64 2bi4 s ALA 1137N 1.63 3.50 -0.40 4.21 0.00 -0.67 -0.21 121.76 129.82 2bi4 s ALA 1137Ca 0.05 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 51.77 2bi4 s ALA 1137Cb -0.17 -2.63 0.13 0.00 0.00 0.00 0.00 23.12 20.45 2bi4 s ALA 1137CO 0.07 -0.03 0.21 0.42 0.00 0.00 0.00 175.76 176.43 2bi4 s ILE 1138N 0.71 1.11 0.50 0.00 1.01 0.17 -0.18 121.20 124.52 2bi4 s ILE 1138Ca 0.24 -2.21 -0.22 0.00 0.00 0.00 0.00 60.65 58.46 2bi4 s ILE 1138Cb -0.15 -1.79 -0.06 0.00 0.01 0.00 0.00 42.46 40.47 2bi4 s ILE 1138CO 0.09 -0.87 1.23 -2.16 0.00 0.00 0.00 174.94 173.23 2bi4 s PRO 1139N 0.69 3.46 -0.11 2.79 0.04 -1.25 -1.93 135.00 138.69 2bi4 s PRO 1139Ca 0.16 1.92 0.16 0.00 0.04 0.00 0.00 61.00 63.28 2bi4 s PRO 1139Cb -0.23 -2.29 0.25 0.00 0.04 0.00 0.00 34.50 32.27 2bi4 s PRO 1139CO -0.04 -0.84 1.13 0.25 0.04 0.00 0.00 177.00 177.54 2bi4 n THR 1140N -0.81 1.61 -3.84 1.26 -2.24 -1.19 -4.62 114.28 104.46 2bi4 n THR 1140Ca 0.09 -1.95 -0.09 0.00 -2.27 0.00 0.00 64.05 59.83 2bi4 n THR 1140Cb 0.47 -0.13 -0.07 0.00 -2.10 0.00 0.00 70.33 68.51 2bi4 n THR 1140CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2bi4 s THR 1141N -2.46 0.13 -0.31 4.28 -4.23 -1.26 -4.37 115.64 107.43 2bi4 s THR 1141Ca 0.27 -1.11 -0.05 0.00 -1.18 0.00 0.00 61.69 59.63 2bi4 s THR 1141Cb 0.24 -1.30 -0.09 0.00 1.34 0.00 0.00 72.50 72.70 2bi4 s THR 1141CO 0.02 -0.61 3.15 0.00 -0.54 0.00 0.00 174.62 176.64 2bi4 n ALA 1142N -0.02 6.47 -2.00 3.99 0.00 -1.26 -4.81 120.51 122.87 2bi4 n ALA 1142Ca -0.15 -2.55 0.00 0.00 0.00 0.00 0.00 53.44 50.73 2bi4 n ALA 1142Cb 0.62 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.80 2bi4 n ALA 1142CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bi4 n GLY 1143N 1.70 1.98 0.00 0.00 0.00 -1.24 -1.31 105.19 106.32 2bi4 n GLY 1143Ca 0.47 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.73 2bi4 n GLY 1143CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2bi4 n THR 1144N 0.00 0.00 -1.27 2.61 -1.04 -1.26 -4.61 114.28 108.70 2bi4 n THR 1144Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 2bi4 n THR 1144Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 2bi4 n THR 1144CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2bi4 n ALA 1145N 0.00 -0.14 0.25 2.41 0.00 -1.26 -4.84 120.51 116.93 2bi4 n ALA 1145Ca 0.00 0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.71 2bi4 n ALA 1145Cb 0.00 -1.25 0.64 0.00 0.00 0.00 0.00 19.45 18.84 2bi4 n ALA 1145CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bi4 h ALA 1146N 0.00 1.23 0.00 0.00 0.00 -1.92 0.32 119.26 118.89 2bi4 h ALA 1146Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2bi4 h ALA 1146Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2bi4 h ALA 1146CO 0.28 -0.23 0.00 -0.85 0.00 0.00 0.00 179.25 178.45 2bi4 n GLU 1147N -2.52 0.13 0.00 0.00 0.00 -1.26 -3.75 120.64 113.24 2bi4 n GLU 1147Ca -0.02 0.39 0.00 0.00 0.00 0.00 0.00 57.16 57.53 2bi4 n GLU 1147Cb 0.31 -1.76 0.00 0.00 0.00 0.00 0.00 31.44 29.98 2bi4 n GLU 1147CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 2bi4 n VAL 1148N -2.01 0.00 -2.44 3.84 3.14 0.07 -4.50 118.33 116.43 2bi4 n VAL 1148Ca 0.02 -0.04 -0.32 0.00 -2.96 0.00 0.00 64.34 61.04 2bi4 n VAL 1148Cb 0.20 0.36 -0.04 0.00 -1.06 0.00 0.00 33.84 33.30 2bi4 n VAL 1148CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 2bi4 s THR 1149N -0.79 4.44 -0.35 1.55 -4.23 -1.04 -4.69 115.64 110.53 2bi4 s THR 1149Ca 0.00 1.23 0.04 0.00 -1.18 0.00 0.00 61.69 61.79 2bi4 s THR 1149Cb 0.00 -3.67 0.46 0.00 1.34 0.00 0.00 72.50 70.63 2bi4 s THR 1149CO 0.00 -0.60 1.51 2.30 -0.54 0.00 0.00 174.62 177.29 2bi4 n ILE 1150N -1.44 2.25 -3.82 2.99 -5.35 -1.26 -4.54 119.36 108.19 2bi4 n ILE 1150Ca 0.07 -1.14 -0.13 0.00 -0.27 0.00 0.00 62.75 61.28 2bi4 n ILE 1150Cb 0.54 -0.58 -0.13 0.00 -1.74 0.00 0.00 39.64 37.72 2bi4 n ILE 1150CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2bi4 s ASN 1151N -0.48 -0.11 0.09 7.28 2.20 -1.26 -0.92 114.94 121.75 2bi4 s ASN 1151Ca 0.36 0.23 0.09 0.00 -0.94 0.00 0.00 52.86 52.60 2bi4 s ASN 1151Cb 0.30 0.21 -0.03 0.00 -2.00 0.00 0.00 41.25 39.73 2bi4 s ASN 1151CO 0.08 -0.06 -0.23 -0.72 -2.94 0.00 0.00 177.10 173.23 2bi4 s TYR 1152N 0.25 1.98 -0.06 1.54 1.13 -0.62 -4.93 117.35 116.63 2bi4 s TYR 1152Ca -0.02 -0.40 0.05 0.00 -1.41 0.00 0.00 57.07 55.29 2bi4 s TYR 1152Cb -0.03 -1.11 -0.02 0.00 -1.10 0.00 0.00 41.96 39.71 2bi4 s TYR 1152CO -0.01 0.21 -0.20 0.14 -2.51 0.00 0.00 175.55 173.19 2bi4 s VAL 1153N -1.03 2.53 0.26 -3.49 -7.23 -1.26 -0.58 120.40 109.60 2bi4 s VAL 1153Ca 0.09 -0.90 0.10 0.00 -1.81 0.00 0.00 61.98 59.47 2bi4 s VAL 1153Cb -0.10 -1.96 -0.05 0.00 0.56 0.00 0.00 36.38 34.83 2bi4 s VAL 1153CO 0.04 0.57 -0.17 -0.63 -0.31 0.00 0.00 175.10 174.60 2bi4 s ILE 1154N -0.33 2.23 -0.22 -0.62 -1.09 -0.25 -4.83 121.20 116.09 2bi4 s ILE 1154Ca 0.02 -2.33 -0.06 0.00 -2.23 0.00 0.00 60.65 56.05 2bi4 s ILE 1154Cb -0.13 -2.26 -0.03 0.00 -1.58 0.00 0.00 42.46 38.47 2bi4 s ILE 1154CO 0.02 -0.43 0.03 -0.89 -1.23 0.00 0.00 174.94 172.44 2bi4 s THR 1155N -2.66 4.14 -1.08 2.92 2.01 0.35 -0.60 115.64 120.72 2bi4 s THR 1155Ca 0.28 -0.24 -0.13 0.00 0.31 0.00 0.00 61.69 61.92 2bi4 s THR 1155Cb -0.03 -2.90 0.21 0.00 0.01 0.00 0.00 72.50 69.79 2bi4 s THR 1155CO 0.13 0.39 1.17 -0.62 -0.69 0.00 0.00 174.62 175.00 2bi4 s ASP 1156N 1.25 7.07 0.31 3.53 -1.08 -1.08 -2.14 116.67 124.54 2bi4 s ASP 1156Ca 0.04 -3.07 0.04 0.00 -0.52 0.00 0.00 52.55 49.04 2bi4 s ASP 1156Cb -0.15 -2.30 0.81 0.00 -1.46 0.00 0.00 42.92 39.83 2bi4 s ASP 1156CO 0.02 -0.58 1.59 -0.33 0.52 0.00 0.00 175.17 176.39 2bi4 h GLU 1157N 7.26 0.04 0.00 4.34 4.39 -1.95 0.17 114.58 128.83 2bi4 h GLU 1157Ca 0.21 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 2bi4 h GLU 1157Cb 0.92 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 2bi4 h GLU 1157CO 1.07 0.03 0.00 0.39 -1.16 0.00 0.00 179.01 179.33 2bi4 n GLU 1158N -5.42 0.00 -0.60 2.33 4.71 -1.26 -1.99 120.64 118.41 2bi4 n GLU 1158Ca 0.24 0.55 -0.05 0.00 -0.01 0.00 0.00 57.16 57.90 2bi4 n GLU 1158Cb 0.81 -1.28 0.01 0.00 -1.01 0.00 0.00 31.44 29.97 2bi4 n GLU 1158CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2bi4 n LYS 1159N -1.76 1.23 0.00 3.49 5.02 -0.54 -4.93 118.16 120.67 2bi4 n LYS 1159Ca 0.00 -0.44 0.00 0.00 -2.02 0.00 0.00 58.31 55.85 2bi4 n LYS 1159Cb 0.00 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 2bi4 n LYS 1159CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2bi4 n ARG 1160N 1.16 0.00 -3.64 1.97 1.85 0.49 -4.85 116.66 113.64 2bi4 n ARG 1160Ca 0.08 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.86 2bi4 n ARG 1160Cb 0.52 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.86 2bi4 n ARG 1160CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 2bi4 s ARG 1161N 0.00 0.63 -0.29 2.89 1.70 -1.25 -4.83 118.95 117.80 2bi4 s ARG 1161Ca 0.00 0.95 -0.23 0.00 -0.47 0.00 0.00 55.73 55.97 2bi4 s ARG 1161Cb 0.00 0.20 -0.00 0.00 -0.57 0.00 0.00 34.95 34.57 2bi4 s ARG 1161CO 0.00 -0.11 0.78 0.21 -1.08 0.00 0.00 175.30 175.10 2bi4 s LYS 1162N 1.08 4.03 -0.08 3.89 2.20 -1.26 -2.62 119.74 126.98 2bi4 s LYS 1162Ca -0.06 0.67 -0.00 0.00 -0.36 0.00 0.00 55.97 56.22 2bi4 s LYS 1162Cb -0.05 -3.70 -0.03 0.00 -1.51 0.00 0.00 37.83 32.54 2bi4 s LYS 1162CO -0.12 -0.61 -0.04 -0.59 -0.36 0.00 0.00 175.35 173.62 2bi4 s PHE 1163N 2.88 3.01 -0.10 4.03 -0.71 0.23 -4.82 117.98 122.50 2bi4 s PHE 1163Ca 0.32 0.06 -0.15 0.00 -1.04 0.00 0.00 56.93 56.12 2bi4 s PHE 1163Cb -0.15 -1.75 -0.05 0.00 -1.21 0.00 0.00 43.02 39.87 2bi4 s PHE 1163CO 0.11 0.35 0.38 0.08 -1.34 0.00 0.00 175.22 174.80 2bi4 s VAL 1164N -0.76 5.20 -0.16 -2.49 1.01 -1.26 -1.09 120.40 120.85 2bi4 s VAL 1164Ca 0.12 0.74 -0.02 0.00 0.00 0.00 0.00 61.98 62.81 2bi4 s VAL 1164Cb -0.11 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 2bi4 s VAL 1164CO 0.02 0.43 -0.07 0.00 0.00 0.00 0.00 175.10 175.48 2bi4 s VAL 1166N 0.65 1.51 -0.30 0.00 1.01 0.20 -1.58 120.40 121.88 2bi4 s VAL 1166Ca -0.04 -0.69 -0.13 0.00 0.00 0.00 0.00 61.98 61.12 2bi4 s VAL 1166Cb -0.15 -1.34 0.16 0.00 0.00 0.00 0.00 36.38 35.05 2bi4 s VAL 1166CO 0.02 0.44 0.91 -0.62 0.00 0.00 0.00 175.10 175.85 2bi4 s ASP 1167N 0.59 -0.72 0.32 3.32 2.15 -0.10 -0.80 116.67 121.43 2bi4 s ASP 1167Ca -0.15 0.85 0.12 0.00 0.43 0.00 0.00 52.55 53.81 2bi4 s ASP 1167Cb -0.16 1.77 0.68 0.00 -0.30 0.00 0.00 42.92 44.90 2bi4 s ASP 1167CO 0.05 -0.14 1.27 -2.65 -0.17 0.00 0.00 175.17 173.54 2bi4 n PRO 1168N 5.16 0.09 0.17 4.34 -0.02 -1.26 -0.32 135.00 143.15 2bi4 n PRO 1168Ca -0.08 0.56 0.13 0.00 -2.02 0.00 0.00 63.50 62.08 2bi4 n PRO 1168Cb 0.52 -2.09 0.32 0.00 -0.02 0.00 0.00 33.50 32.23 2bi4 n PRO 1168CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2bi4 h HIS 1169N 0.00 0.00 -0.28 6.00 3.86 -1.93 -3.31 115.15 119.49 2bi4 h HIS 1169Ca 0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 2bi4 h HIS 1169Cb 0.62 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 2bi4 h HIS 1169CO 0.00 0.00 -0.08 0.22 0.86 0.00 0.00 177.93 178.93 2bi4 h ASP 1170N 0.00 0.56 -0.34 2.45 3.58 -0.97 -2.65 116.42 119.04 2bi4 h ASP 1170Ca 0.00 -0.37 -0.42 0.00 0.42 0.00 0.00 57.03 56.65 2bi4 h ASP 1170Cb 0.82 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.72 2bi4 h ASP 1170CO 0.00 0.80 0.45 0.00 -2.88 0.00 0.00 179.24 177.61 2bi4 n ILE 1171N -4.49 0.00 -1.44 2.25 0.13 -1.25 -4.90 119.36 109.66 2bi4 n ILE 1171Ca -0.03 0.00 -0.36 0.00 -1.10 0.00 0.00 62.75 61.26 2bi4 n ILE 1171Cb 0.32 -0.25 0.09 0.00 -0.84 0.00 0.00 39.64 38.96 2bi4 n ILE 1171CO 0.00 0.00 0.00 -2.65 2.80 0.00 0.00 176.55 176.70 2bi4 n PRO 1172N 2.58 0.65 0.09 9.51 -0.02 -1.26 -4.83 135.00 141.71 2bi4 n PRO 1172Ca 0.19 0.28 -0.07 0.00 -2.02 0.00 0.00 63.50 61.88 2bi4 n PRO 1172Cb -0.03 -2.33 -0.01 0.00 -0.02 0.00 0.00 33.50 31.11 2bi4 n PRO 1172CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2bi4 h GLN 1173N -0.09 0.11 -3.45 -0.52 7.50 -1.50 -3.42 115.11 113.75 2bi4 h GLN 1173Ca -0.48 -0.13 -0.17 0.00 0.50 0.00 0.00 58.65 58.37 2bi4 h GLN 1173Cb 1.33 0.04 -0.24 0.00 0.05 0.00 0.00 27.48 28.67 2bi4 h GLN 1173CO 0.49 0.92 -0.52 0.08 -1.50 0.00 0.00 178.83 178.29 2bi4 s VAL 1174N -3.13 0.04 -0.05 -0.54 1.01 -1.25 -3.39 120.40 113.09 2bi4 s VAL 1174Ca -0.02 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.69 2bi4 s VAL 1174Cb 0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 36.38 36.16 2bi4 s VAL 1174CO 0.82 -0.18 -0.24 0.00 0.00 0.00 0.00 175.10 175.49 2bi4 s ALA 1175N -0.61 2.09 -0.31 5.51 0.00 -0.70 -1.67 121.76 126.07 2bi4 s ALA 1175Ca -0.07 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 50.88 2bi4 s ALA 1175Cb -0.04 -0.62 0.08 0.00 0.00 0.00 0.00 23.12 22.53 2bi4 s ALA 1175CO 0.01 0.43 -0.01 -0.06 0.00 0.00 0.00 175.76 176.13 2bi4 s PHE 1176N -0.26 3.46 -0.54 0.00 0.08 0.75 -0.12 117.98 121.35 2bi4 s PHE 1176Ca -0.00 -2.47 -0.09 0.00 0.12 0.00 0.00 56.93 54.49 2bi4 s PHE 1176Cb -0.12 -2.41 0.14 0.00 -0.57 0.00 0.00 43.02 40.06 2bi4 s PHE 1176CO 0.02 -0.90 0.41 0.42 -0.10 0.00 0.00 175.22 175.08 2bi4 s ILE 1177N 1.07 4.28 -0.11 0.64 1.09 0.10 -3.85 121.20 124.43 2bi4 s ILE 1177Ca -0.00 -2.07 -0.02 0.00 -1.10 0.00 0.00 60.65 57.45 2bi4 s ILE 1177Cb -0.20 -3.79 0.04 0.00 -1.06 0.00 0.00 42.46 37.45 2bi4 s ILE 1177CO -0.05 -0.82 0.03 1.51 -0.10 0.00 0.00 174.94 175.51 2bi4 s ASP 1178N 2.27 1.89 0.50 3.58 -4.77 -1.26 -1.30 116.67 117.58 2bi4 s ASP 1178Ca 0.09 -0.28 0.09 0.00 -3.30 0.00 0.00 52.55 49.15 2bi4 s ASP 1178Cb -0.23 -0.39 0.52 0.00 -1.09 0.00 0.00 42.92 41.72 2bi4 s ASP 1178CO -0.02 -0.25 1.20 0.00 0.70 0.00 0.00 175.17 176.80 2bi4 h ALA 1179N 8.34 1.54 -0.76 2.11 0.00 -1.87 0.18 119.26 128.80 2bi4 h ALA 1179Ca -0.17 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2bi4 h ALA 1179Cb 1.13 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2bi4 h ALA 1179CO 0.26 -0.54 0.46 -0.44 0.00 0.00 0.00 179.25 178.99 2bi4 h ASP 1180N 0.00 0.90 1.13 0.00 3.32 -1.94 0.12 116.42 119.95 2bi4 h ASP 1180Ca 0.00 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 2bi4 h ASP 1180Cb 1.26 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 2bi4 h ASP 1180CO 0.00 0.69 -0.23 0.24 -1.72 0.00 0.00 179.24 178.22 2bi4 h MET 1181N 1.04 0.00 0.00 3.56 2.86 -0.94 -3.23 114.93 118.22 2bi4 h MET 1181Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 2bi4 h MET 1181Cb -0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.61 2bi4 h MET 1181CO -0.05 0.23 -0.85 -1.33 1.06 0.00 0.00 176.91 175.96 2bi4 n MET 1182N -3.31 0.09 0.10 1.72 2.81 -0.21 -4.32 117.12 114.01 2bi4 n MET 1182Ca 0.01 -0.00 0.18 0.00 -1.81 0.00 0.00 57.70 56.07 2bi4 n MET 1182Cb 0.48 -1.53 0.73 0.00 -0.71 0.00 0.00 33.22 32.19 2bi4 n MET 1182CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2bi4 h ASP 1183N 0.00 0.00 0.43 7.83 3.32 -0.85 -2.08 116.42 125.06 2bi4 h ASP 1183Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2bi4 h ASP 1183Cb 0.57 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 2bi4 h ASP 1183CO 0.00 0.00 -0.19 1.23 -1.72 0.00 0.00 179.24 178.56 2bi4 h GLY 1184N 0.00 0.00 -6.05 2.75 0.00 -1.82 -3.45 103.07 94.51 2bi4 h GLY 1184Ca 0.17 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.79 2bi4 h GLY 1184CO -0.00 0.00 0.82 1.03 0.00 0.00 0.00 176.54 178.39 2bi4 n MET 1185N -3.75 1.27 -1.16 4.80 2.81 -0.78 -4.93 117.12 115.38 2bi4 n MET 1185Ca -0.02 0.47 -0.31 0.00 -1.81 0.00 0.00 57.70 56.02 2bi4 n MET 1185Cb 0.30 -2.16 0.11 0.00 -0.71 0.00 0.00 33.22 30.76 2bi4 n MET 1185CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 2bi4 s PRO 1186N 2.86 1.93 0.30 0.03 0.02 -1.26 -4.62 135.00 134.26 2bi4 s PRO 1186Ca 0.94 1.36 0.06 0.00 0.02 0.00 0.00 61.00 63.38 2bi4 s PRO 1186Cb -1.00 -1.85 0.76 0.00 0.02 0.00 0.00 34.50 32.43 2bi4 s PRO 1186CO 0.60 -1.92 1.76 -1.00 -0.33 0.00 0.00 177.00 176.10 2bi4 h PRO 1187N -1.16 0.66 -0.40 5.54 0.13 -1.92 0.67 132.00 135.53 2bi4 h PRO 1187Ca -0.44 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 2bi4 h PRO 1187Cb 1.25 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 2bi4 h PRO 1187CO 0.48 0.44 0.05 0.00 -0.23 0.00 0.00 178.00 178.74 2bi4 h ALA 1188N 1.66 1.34 -0.09 -0.56 0.00 -1.90 -0.40 119.26 119.32 2bi4 h ALA 1188Ca 0.58 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 55.18 2bi4 h ALA 1188Cb 0.97 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.60 2bi4 h ALA 1188CO -0.42 0.46 -0.41 1.25 0.00 0.00 0.00 179.25 180.13 2bi4 h LEU 1189N 0.59 0.51 -0.80 0.00 5.85 -1.26 -1.25 115.31 118.96 2bi4 h LEU 1189Ca 0.13 -0.64 0.03 0.00 0.84 0.00 0.00 57.88 58.24 2bi4 h LEU 1189Cb 0.30 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 2bi4 h LEU 1189CO 0.00 1.07 0.51 0.11 -0.34 0.00 0.00 178.44 179.80 2bi4 h LYS 1190N -0.01 0.95 0.25 1.25 1.57 -0.99 -0.76 116.57 118.84 2bi4 h LYS 1190Ca -0.03 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2bi4 h LYS 1190Cb 1.06 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2bi4 h LYS 1190CO 0.09 0.63 -0.12 0.00 -0.57 0.00 0.00 179.45 179.47 2bi4 h ALA 1191N 1.34 -0.34 0.30 3.86 0.00 -1.05 -0.03 119.26 123.34 2bi4 h ALA 1191Ca 0.32 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2bi4 h ALA 1191Cb 0.02 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2bi4 h ALA 1191CO -0.12 -0.65 -0.15 0.00 0.00 0.00 0.00 179.25 178.34 2bi4 h ALA 1192N 0.29 -0.41 -0.43 0.00 0.00 -0.95 -1.05 119.26 116.72 2bi4 h ALA 1192Ca -0.03 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 2bi4 h ALA 1192Cb 0.33 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2bi4 h ALA 1192CO 0.06 -0.70 -0.07 1.79 0.00 0.00 0.00 179.25 180.32 2bi4 h THR 1193N -0.46 1.25 -0.29 0.00 1.35 -1.21 -2.00 112.91 111.53 2bi4 h THR 1193Ca -0.04 -1.08 0.01 0.00 -0.55 0.00 0.00 66.41 64.74 2bi4 h THR 1193Cb 0.35 1.00 -0.02 0.00 -1.73 0.00 0.00 68.15 67.75 2bi4 h THR 1193CO 0.07 0.37 0.18 1.23 -0.25 0.00 0.00 175.52 177.12 2bi4 h GLY 1194N 0.97 0.41 2.00 5.82 0.00 0.35 -1.26 103.07 111.36 2bi4 h GLY 1194Ca 0.12 -0.14 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 2bi4 h GLY 1194CO 0.03 0.13 -0.33 -2.08 0.00 0.00 0.00 176.54 174.29 2bi4 h VAL 1195N 0.38 0.99 -0.62 4.60 2.07 -1.03 -0.95 116.25 121.68 2bi4 h VAL 1195Ca 0.11 -1.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.35 2bi4 h VAL 1195Cb -0.02 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 2bi4 h VAL 1195CO -0.04 0.32 0.25 -0.78 0.02 0.00 0.00 177.57 177.35 2bi4 h ASP 1196N 0.00 0.86 -0.18 0.57 3.58 -0.64 0.40 116.42 121.01 2bi4 h ASP 1196Ca -0.00 -0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.27 2bi4 h ASP 1196Cb 0.70 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 2bi4 h ASP 1196CO 0.04 0.79 0.09 0.00 -2.88 0.00 0.00 179.24 177.29 2bi4 h ALA 1197N 1.10 0.22 -0.95 -0.78 0.00 -0.24 0.11 119.26 118.71 2bi4 h ALA 1197Ca 0.21 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2bi4 h ALA 1197Cb 0.20 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 2bi4 h ALA 1197CO -0.02 -0.23 0.62 1.25 0.00 0.00 0.00 179.25 180.87 2bi4 h LEU 1198N 0.17 1.04 -0.55 0.00 6.46 -0.84 0.22 115.31 121.81 2bi4 h LEU 1198Ca 0.06 -0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.83 2bi4 h LEU 1198Cb 0.09 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 39.75 2bi4 h LEU 1198CO -0.01 0.71 0.35 0.74 -0.62 0.00 0.00 178.44 179.61 2bi4 h THR 1199N 1.21 1.10 -0.25 1.05 2.02 0.47 -0.99 112.91 117.53 2bi4 h THR 1199Ca 0.38 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 67.32 2bi4 h THR 1199Cb -0.00 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 2bi4 h THR 1199CO -0.12 0.13 0.15 0.45 0.37 0.00 0.00 175.52 176.50 2bi4 h HIS 1200N 0.70 0.33 -0.15 3.16 3.86 0.42 -0.68 115.15 122.79 2bi4 h HIS 1200Ca 0.21 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.44 2bi4 h HIS 1200Cb -0.04 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 2bi4 h HIS 1200CO -0.05 0.25 0.03 0.00 0.86 0.00 0.00 177.93 179.02 2bi4 h ALA 1201N 1.05 0.15 -0.23 2.45 0.00 -0.64 -0.12 119.26 121.92 2bi4 h ALA 1201Ca 0.09 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2bi4 h ALA 1201Cb 0.02 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2bi4 h ALA 1201CO -0.02 -0.41 -0.01 0.82 0.00 0.00 0.00 179.25 179.63 2bi4 h ILE 1202N 0.09 1.26 -0.77 0.00 2.04 -1.07 -1.26 117.51 117.80 2bi4 h ILE 1202Ca 0.06 -0.90 -0.05 0.00 1.00 0.00 0.00 64.86 64.97 2bi4 h ILE 1202Cb 0.06 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 2bi4 h ILE 1202CO -0.08 0.28 0.30 -0.33 0.00 0.00 0.00 178.15 178.32 2bi4 h GLU 1203N 0.17 1.16 0.00 2.37 5.08 -1.05 -2.28 114.58 120.03 2bi4 h GLU 1203Ca 0.06 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 2bi4 h GLU 1203Cb 0.41 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2bi4 h GLU 1203CO 0.01 0.95 -0.19 0.78 -1.00 0.00 0.00 179.01 179.56 2bi4 h GLY 1204N 1.12 0.00 1.85 -3.84 0.00 -0.96 0.42 103.07 101.66 2bi4 h GLY 1204Ca 0.26 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.43 2bi4 h GLY 1204CO -0.02 0.00 -0.69 -1.82 0.00 0.00 0.00 176.54 174.01 2bi4 h TYR 1205N 0.00 0.20 -0.06 5.60 3.20 -0.68 -3.29 116.97 121.93 2bi4 h TYR 1205Ca -0.00 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.78 2bi4 h TYR 1205Cb 0.76 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.00 2bi4 h TYR 1205CO 0.00 0.79 0.00 0.44 -1.64 0.00 0.00 178.16 177.75 2bi4 n ILE 1206N -3.78 0.16 -1.49 1.81 -5.35 -0.94 -4.90 119.36 104.88 2bi4 n ILE 1206Ca -0.02 -0.58 -0.34 0.00 -0.27 0.00 0.00 62.75 61.54 2bi4 n ILE 1206Cb 0.68 1.10 0.08 0.00 -1.74 0.00 0.00 39.64 39.76 2bi4 n ILE 1206CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2bi4 s THR 1207N -0.89 2.64 0.40 7.28 -1.32 0.14 -4.18 115.64 119.70 2bi4 s THR 1207Ca 0.14 0.30 0.11 0.00 -1.21 0.00 0.00 61.69 61.02 2bi4 s THR 1207Cb 0.09 -2.81 0.32 0.00 -1.51 0.00 0.00 72.50 68.59 2bi4 s THR 1207CO 0.13 -0.18 1.94 0.03 -2.21 0.00 0.00 174.62 174.34 2bi4 h ARG 1208N -0.31 0.55 0.00 7.08 3.08 -1.35 -1.51 114.38 121.92 2bi4 h ARG 1208Ca -0.47 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2bi4 h ARG 1208Cb 1.28 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.20 2bi4 h ARG 1208CO 0.51 0.36 0.00 0.41 -1.07 0.00 0.00 179.97 180.18 2bi4 n GLY 1209N -1.48 -1.25 3.32 0.04 0.00 -1.24 -4.91 105.19 99.67 2bi4 n GLY 1209Ca 0.12 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 2bi4 n GLY 1209CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bi4 n ALA 1210N -1.52 -2.97 -3.79 4.61 0.00 -0.57 -4.98 120.51 111.28 2bi4 n ALA 1210Ca 0.05 0.19 -0.04 0.00 0.00 0.00 0.00 53.44 53.64 2bi4 n ALA 1210Cb 0.25 -1.51 -0.01 0.00 0.00 0.00 0.00 19.45 18.19 2bi4 n ALA 1210CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 2bi4 s TRP 1211N -1.52 -0.08 0.00 0.00 1.48 -1.26 -5.01 118.94 112.55 2bi4 s TRP 1211Ca 0.60 -0.28 0.00 0.00 -1.06 0.00 0.00 56.10 55.36 2bi4 s TRP 1211Cb -0.71 0.67 0.00 0.00 -1.16 0.00 0.00 33.47 32.28 2bi4 s TRP 1211CO 0.61 -0.94 0.05 0.00 -4.06 0.00 0.00 176.95 172.62 2bi4 n ALA 1212N -0.52 0.00 -0.28 2.67 0.00 -1.26 0.13 120.51 121.26 2bi4 n ALA 1212Ca -0.05 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.49 2bi4 n ALA 1212Cb 0.60 0.03 0.24 0.00 0.00 0.00 0.00 19.45 20.32 2bi4 n ALA 1212CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2bi4 h LEU 1213N 0.00 -0.07 -0.70 0.00 5.85 -1.99 0.34 115.31 118.73 2bi4 h LEU 1213Ca 0.00 0.19 -0.13 0.00 0.84 0.00 0.00 57.88 58.78 2bi4 h LEU 1213Cb 0.00 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2bi4 h LEU 1213CO 0.00 -0.14 -0.42 0.74 -0.34 0.00 0.00 178.44 178.29 2bi4 h THR 1214N 0.20 1.30 -0.39 1.05 2.02 -1.68 -1.62 112.91 113.80 2bi4 h THR 1214Ca 0.50 -1.58 -0.06 0.00 0.77 0.00 0.00 66.41 66.03 2bi4 h THR 1214Cb 0.96 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 2bi4 h THR 1214CO -0.63 0.50 -0.01 0.44 0.37 0.00 0.00 175.52 176.19 2bi4 h ASP 1215N 0.43 0.68 0.16 4.18 3.32 0.17 -1.98 116.42 123.38 2bi4 h ASP 1215Ca 0.03 -0.31 0.01 0.00 0.02 0.00 0.00 57.03 56.78 2bi4 h ASP 1215Cb 0.91 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 2bi4 h ASP 1215CO 0.08 0.83 -0.18 0.00 -1.72 0.00 0.00 179.24 178.24 2bi4 h ALA 1216N 0.88 -0.34 0.19 3.45 0.00 -1.03 -1.23 119.26 121.17 2bi4 h ALA 1216Ca 0.11 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2bi4 h ALA 1216Cb 0.48 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2bi4 h ALA 1216CO 0.02 -0.72 -0.36 -0.07 0.00 0.00 0.00 179.25 178.12 2bi4 h LEU 1217N -0.38 -1.03 -0.18 0.00 3.38 -1.25 -2.28 115.31 113.58 2bi4 h LEU 1217Ca 0.01 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.14 2bi4 h LEU 1217Cb 0.37 0.38 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 2bi4 h LEU 1217CO -0.06 -0.46 -0.15 0.45 0.09 0.00 0.00 178.44 178.31 2bi4 h HIS 1218N -0.63 -0.37 -0.28 1.13 3.86 -1.22 -0.61 115.15 117.02 2bi4 h HIS 1218Ca 0.01 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.27 2bi4 h HIS 1218Cb 0.63 0.19 -0.01 0.00 1.06 0.00 0.00 27.41 29.28 2bi4 h HIS 1218CO -0.29 -0.22 0.19 0.97 0.86 0.00 0.00 177.93 179.44 2bi4 h ILE 1219N -0.16 1.01 -0.14 2.45 6.09 -1.16 0.14 117.51 125.74 2bi4 h ILE 1219Ca 0.11 -0.10 -0.14 0.00 -1.37 0.00 0.00 64.86 63.37 2bi4 h ILE 1219Cb 0.32 0.71 0.00 0.00 0.47 0.00 0.00 36.82 38.33 2bi4 h ILE 1219CO -0.27 0.05 -0.45 0.50 -3.07 0.00 0.00 178.15 174.91 2bi4 h LYS 1220N 0.28 0.55 -0.02 2.19 1.63 -0.71 -2.08 116.57 118.40 2bi4 h LYS 1220Ca 0.11 -0.40 0.01 0.00 -0.85 0.00 0.00 60.65 59.52 2bi4 h LYS 1220Cb 0.11 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 2bi4 h LYS 1220CO -0.02 1.02 -0.05 0.00 -3.45 0.00 0.00 179.45 176.95 2bi4 h ALA 1221N 0.52 -0.03 -0.20 5.00 0.00 -0.14 -0.20 119.26 124.22 2bi4 h ALA 1221Ca -0.02 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.96 2bi4 h ALA 1221Cb 1.07 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 2bi4 h ALA 1221CO 0.09 -0.54 -0.24 0.82 0.00 0.00 0.00 179.25 179.38 2bi4 h ILE 1222N -0.08 0.40 -0.40 0.00 2.04 -0.77 0.15 117.51 118.85 2bi4 h ILE 1222Ca 0.03 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.94 2bi4 h ILE 1222Cb 0.11 0.40 -0.09 0.00 -0.74 0.00 0.00 36.82 36.50 2bi4 h ILE 1222CO -0.06 0.00 -0.51 -0.08 0.00 0.00 0.00 178.15 177.50 2bi4 h GLU 1223N -0.27 -0.36 0.40 2.37 4.81 -0.87 0.28 114.58 120.95 2bi4 h GLU 1223Ca 0.12 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2bi4 h GLU 1223Cb 0.46 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 2bi4 h GLU 1223CO -0.36 -0.24 -0.40 0.82 -0.73 0.00 0.00 179.01 178.10 2bi4 h ILE 1224N -0.38 0.19 -0.04 2.32 2.04 -0.08 -1.74 117.51 119.82 2bi4 h ILE 1224Ca 0.10 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.00 2bi4 h ILE 1224Cb 0.60 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 2bi4 h ILE 1224CO -0.59 0.00 -0.29 0.40 0.00 0.00 0.00 178.15 177.67 2bi4 h ILE 1225N -0.83 0.34 -1.00 -0.67 2.04 -0.42 -1.65 117.51 115.32 2bi4 h ILE 1225Ca -0.03 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.03 2bi4 h ILE 1225Cb 0.74 0.34 -0.11 0.00 -0.74 0.00 0.00 36.82 37.05 2bi4 h ILE 1225CO -0.06 0.00 0.61 0.00 0.00 0.00 0.00 178.15 178.70 2bi4 h ALA 1226N 0.38 1.71 -0.32 1.87 0.00 -0.34 -0.19 119.26 122.38 2bi4 h ALA 1226Ca 0.07 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2bi4 h ALA 1226Cb 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2bi4 h ALA 1226CO -0.28 -0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.27 2bi4 n GLY 1227N -1.33 1.10 0.00 0.00 0.00 -0.65 -4.48 105.19 99.83 2bi4 n GLY 1227Ca 0.24 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2bi4 n GLY 1227CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bi4 n ALA 1228N 0.44 1.28 -0.35 4.61 0.00 -0.22 -4.87 120.51 121.40 2bi4 n ALA 1228Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.58 2bi4 n ALA 1228Cb 0.41 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.96 2bi4 n ALA 1228CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2bi4 h LEU 1229N 0.00 -1.11 0.06 0.00 6.46 -1.39 0.20 115.31 119.53 2bi4 h LEU 1229Ca 0.00 0.29 0.02 0.00 -0.12 0.00 0.00 57.88 58.07 2bi4 h LEU 1229Cb 0.00 0.65 -0.05 0.00 -0.73 0.00 0.00 40.66 40.54 2bi4 h LEU 1229CO 0.00 -0.31 -0.51 0.03 -0.62 0.00 0.00 178.44 177.04 2bi4 h ARG 1230N -0.01 -0.66 -0.91 1.25 3.08 -1.84 0.78 114.38 116.07 2bi4 h ARG 1230Ca 0.41 0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.58 2bi4 h ARG 1230Cb 0.66 0.15 -0.07 0.00 0.08 0.00 0.00 29.97 30.79 2bi4 h ARG 1230CO -0.97 -0.44 0.56 0.78 -1.07 0.00 0.00 179.97 178.83 2bi4 h GLY 1231N -0.68 1.40 0.92 0.04 0.00 -1.27 0.23 103.07 103.71 2bi4 h GLY 1231Ca 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 46.95 2bi4 h GLY 1231CO -0.30 0.24 0.16 0.23 0.00 0.00 0.00 176.54 176.86 2bi4 h SER 1232N 0.99 0.25 -0.36 0.19 0.87 -0.16 0.26 113.55 115.60 2bi4 h SER 1232Ca 0.41 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.92 2bi4 h SER 1232Cb 0.25 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 2bi4 h SER 1232CO -0.20 0.19 0.03 0.58 -0.53 0.00 0.00 176.83 176.90 2bi4 h VAL 1233N 0.33 1.22 0.00 2.23 2.07 -0.01 -1.43 116.25 120.66 2bi4 h VAL 1233Ca 0.11 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2bi4 h VAL 1233Cb 0.01 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2bi4 h VAL 1233CO -0.06 0.31 0.00 0.00 0.02 0.00 0.00 177.57 177.84 2bi4 n ALA 1234N -2.47 2.38 0.00 1.67 0.00 -0.01 -4.69 120.51 117.39 2bi4 n ALA 1234Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2bi4 n ALA 1234Cb 0.26 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.25 2bi4 n ALA 1234CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bi4 n GLY 1235N 1.18 1.18 3.63 0.00 0.00 0.02 -5.06 105.19 106.15 2bi4 n GLY 1235Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 2bi4 n GLY 1235CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bi4 s ASP 1236N -1.71 6.17 0.34 1.61 2.15 0.71 -4.86 116.67 121.07 2bi4 s ASP 1236Ca 0.00 1.93 0.04 0.00 0.43 0.00 0.00 52.55 54.95 2bi4 s ASP 1236Cb 0.00 -2.53 0.61 0.00 -0.30 0.00 0.00 42.92 40.71 2bi4 s ASP 1236CO 0.00 -1.38 1.88 0.11 -0.17 0.00 0.00 175.17 175.61 2bi4 h LYS 1237N 11.76 0.52 -0.08 4.34 1.57 -1.91 -0.57 116.57 132.21 2bi4 h LYS 1237Ca -0.39 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.17 2bi4 h LYS 1237Cb 1.19 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 2bi4 h LYS 1237CO 0.98 0.54 -0.47 -0.44 -0.57 0.00 0.00 179.45 179.49 2bi4 h ASP 1238N 0.50 0.21 0.51 0.86 3.32 -1.97 -0.62 116.42 119.24 2bi4 h ASP 1238Ca 0.11 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 2bi4 h ASP 1238Cb 0.31 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 2bi4 h ASP 1238CO 0.01 0.65 -0.43 0.00 -1.72 0.00 0.00 179.24 177.75 2bi4 h ALA 1239N 1.36 1.20 -0.35 3.45 0.00 -1.67 -1.88 119.26 121.38 2bi4 h ALA 1239Ca 0.01 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 2bi4 h ALA 1239Cb 0.89 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2bi4 h ALA 1239CO 0.07 0.54 -0.26 0.78 0.00 0.00 0.00 179.25 180.37 2bi4 h GLY 1240N 1.46 0.87 1.11 0.00 0.00 -0.15 -1.26 103.07 105.10 2bi4 h GLY 1240Ca -0.00 -0.84 -0.05 0.00 0.00 0.00 0.00 47.33 46.44 2bi4 h GLY 1240CO 0.06 0.76 0.28 -2.09 0.00 0.00 0.00 176.54 175.55 2bi4 h GLU 1241N 0.59 1.12 -0.07 4.80 4.81 -0.81 -1.43 114.58 123.59 2bi4 h GLU 1241Ca 0.07 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2bi4 h GLU 1241Cb 0.83 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 2bi4 h GLU 1241CO 0.07 0.92 0.03 0.93 -0.73 0.00 0.00 179.01 180.24 2bi4 h GLU 1242N 1.09 0.09 -0.16 1.92 5.08 -1.18 -3.02 114.58 118.40 2bi4 h GLU 1242Ca 0.25 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.64 2bi4 h GLU 1242Cb 0.23 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.41 2bi4 h GLU 1242CO -0.02 0.17 -0.20 0.52 -1.00 0.00 0.00 179.01 178.48 2bi4 h MET 1243N -0.01 -0.23 -1.08 2.33 2.86 -0.91 -1.09 114.93 116.79 2bi4 h MET 1243Ca 0.02 0.02 0.34 0.00 -2.06 0.00 0.00 59.70 58.02 2bi4 h MET 1243Cb 0.11 0.05 -0.14 0.00 0.06 0.00 0.00 31.60 31.69 2bi4 h MET 1243CO -0.00 -0.16 0.65 0.00 1.06 0.00 0.00 176.91 178.46 2bi4 h ALA 1244N 0.79 2.19 0.12 6.32 0.00 -1.15 -0.68 119.26 126.85 2bi4 h ALA 1244Ca 0.11 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2bi4 h ALA 1244Cb 0.41 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2bi4 h ALA 1244CO -0.31 -0.78 -0.06 1.25 0.00 0.00 0.00 179.25 179.35 2bi4 h LEU 1245N 0.27 -0.14 -0.78 0.00 5.85 -1.12 -3.18 115.31 116.22 2bi4 h LEU 1245Ca 0.74 -0.33 0.18 0.00 0.84 0.00 0.00 57.88 59.31 2bi4 h LEU 1245Cb 1.88 0.04 -0.13 0.00 0.37 0.00 0.00 40.66 42.82 2bi4 h LEU 1245CO -0.52 0.46 0.10 1.23 -0.34 0.00 0.00 178.44 179.37 2bi4 h GLY 1246N -0.95 1.00 1.34 3.75 0.00 -0.28 0.18 103.07 108.11 2bi4 h GLY 1246Ca -0.02 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 2bi4 h GLY 1246CO 0.03 -0.29 0.17 0.06 0.00 0.00 0.00 176.54 176.51 2bi4 h GLN 1247N 0.16 0.83 -0.01 4.80 -0.00 -1.36 -0.13 115.11 119.40 2bi4 h GLN 1247Ca 0.45 -0.15 -0.00 0.00 -0.00 0.00 0.00 58.65 58.94 2bi4 h GLN 1247Cb 0.81 -0.13 -0.00 0.00 -0.00 0.00 0.00 27.48 28.16 2bi4 h GLN 1247CO -0.63 0.72 -0.00 -0.92 -0.00 0.00 0.00 178.83 178.00 2bi4 h TYR 1248N 0.81 0.02 -0.10 0.06 3.20 -0.88 -2.61 116.97 117.48 2bi4 h TYR 1248Ca 0.18 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.09 2bi4 h TYR 1248Cb 0.24 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.45 2bi4 h TYR 1248CO 0.01 0.39 -0.36 0.28 -1.64 0.00 0.00 178.16 176.84 2bi4 h VAL 1249N -0.35 0.22 -0.95 1.81 2.07 -0.35 0.17 116.25 118.86 2bi4 h VAL 1249Ca 0.00 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.80 2bi4 h VAL 1249Cb 0.38 0.22 -0.14 0.00 -1.52 0.00 0.00 31.29 30.23 2bi4 h VAL 1249CO 0.00 0.00 0.43 0.00 0.02 0.00 0.00 177.57 178.02 2bi4 h ALA 1250N 0.25 1.66 -0.83 1.67 0.00 -0.99 0.54 119.26 121.56 2bi4 h ALA 1250Ca 0.08 0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.22 2bi4 h ALA 1250Cb 0.59 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 2bi4 h ALA 1250CO -0.35 -0.50 0.53 0.78 0.00 0.00 0.00 179.25 179.71 2bi4 h GLY 1251N 0.30 1.19 0.75 0.00 0.00 -0.30 -1.03 103.07 103.98 2bi4 h GLY 1251Ca 0.65 -0.41 0.17 0.00 0.00 0.00 0.00 47.33 47.75 2bi4 h GLY 1251CO -0.62 0.36 0.46 -0.33 0.00 0.00 0.00 176.54 176.41 2bi4 h MET 1252N 1.05 0.00 0.00 4.80 2.86 0.86 -2.71 114.93 121.80 2bi4 h MET 1252Ca 0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 2bi4 h MET 1252Cb -0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.64 2bi4 h MET 1252CO -0.10 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.28 2bi4 n GLY 1253N -1.63 -0.53 0.34 8.32 0.00 -0.46 -4.43 105.19 106.80 2bi4 n GLY 1253Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.27 2bi4 n GLY 1253CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2bi4 h PHE 1254N 0.00 0.20 -0.75 1.61 -5.15 -1.45 -0.64 116.94 110.76 2bi4 h PHE 1254Ca 0.00 0.01 0.11 0.00 -0.20 0.00 0.00 57.97 57.88 2bi4 h PHE 1254Cb 0.00 -0.07 -0.08 0.00 0.22 0.00 0.00 35.95 36.03 2bi4 h PHE 1254CO 0.00 0.10 0.37 1.03 -2.00 0.00 0.00 178.31 177.81 2bi4 h SER 1255N 0.20 0.46 -0.56 -0.68 0.87 -1.71 0.77 113.55 112.90 2bi4 h SER 1255Ca 0.20 0.07 -0.22 0.00 -1.23 0.00 0.00 61.79 60.61 2bi4 h SER 1255Cb 0.54 -0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 62.37 2bi4 h SER 1255CO -0.03 0.24 0.28 0.59 -0.53 0.00 0.00 176.83 177.38 2bi4 n ASN 1256N -4.88 3.72 0.00 6.23 5.03 -0.25 -4.44 115.26 120.67 2bi4 n ASN 1256Ca 0.13 -2.90 0.00 0.00 0.87 0.00 0.00 54.58 52.68 2bi4 n ASN 1256Cb 0.32 -0.69 0.00 0.00 -1.02 0.00 0.00 39.78 38.39 2bi4 n ASN 1256CO 0.00 0.00 0.00 0.55 -1.83 0.00 0.00 177.26 175.98 2bi4 n VAL 1257N -0.23 0.00 0.00 2.41 3.14 -0.84 -4.89 118.33 117.92 2bi4 n VAL 1257Ca 0.32 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.70 2bi4 n VAL 1257Cb 1.13 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.91 2bi4 n VAL 1257CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2bi4 n GLY 1258N 0.00 -3.52 0.00 7.55 0.00 0.21 -3.69 105.19 105.74 2bi4 n GLY 1258Ca 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.89 2bi4 n GLY 1258CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2bi4 n LEU 1259N 0.00 0.00 0.00 0.99 4.77 -1.26 -4.12 117.00 117.38 2bi4 n LEU 1259Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2bi4 n LEU 1259Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2bi4 n LEU 1259CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2bi4 n GLY 1260N 1.64 2.74 0.29 -0.72 0.00 -1.22 -3.27 105.19 104.63 2bi4 n GLY 1260Ca 0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 46.02 45.48 2bi4 n GLY 1260CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2bi4 h LEU 1261N 0.00 0.72 -0.77 0.99 3.38 -1.81 -2.35 115.31 115.47 2bi4 h LEU 1261Ca 0.00 0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.16 2bi4 h LEU 1261Cb 0.00 -0.14 -0.12 0.00 0.09 0.00 0.00 40.66 40.49 2bi4 h LEU 1261CO 0.00 0.48 0.14 0.58 0.09 0.00 0.00 178.44 179.73 2bi4 h VAL 1262N 0.86 0.42 -0.01 1.22 2.07 -1.96 1.09 116.25 119.94 2bi4 h VAL 1262Ca 0.32 -0.07 -0.21 0.00 0.82 0.00 0.00 66.70 67.56 2bi4 h VAL 1262Cb 0.12 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 2bi4 h VAL 1262CO -0.15 0.04 -0.87 0.45 0.02 0.00 0.00 177.57 177.05 2bi4 h HIS 1263N 0.21 0.49 -0.19 1.57 3.86 -1.90 -1.83 115.15 117.37 2bi4 h HIS 1263Ca 0.44 -0.26 -0.08 0.00 -1.16 0.00 0.00 60.37 59.32 2bi4 h HIS 1263Cb 0.80 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.19 2bi4 h HIS 1263CO -0.31 1.06 -0.23 0.78 0.86 0.00 0.00 177.93 180.09 2bi4 h GLY 1264N 1.44 0.36 1.23 2.45 0.00 -0.25 -2.00 103.07 106.31 2bi4 h GLY 1264Ca -0.06 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2bi4 h GLY 1264CO 0.14 0.25 -0.60 -0.33 0.00 0.00 0.00 176.54 176.01 2bi4 h MET 1265N 0.30 0.00 0.10 4.80 2.86 0.11 -3.36 114.93 119.75 2bi4 h MET 1265Ca 0.05 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.36 2bi4 h MET 1265Cb 0.58 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 2bi4 h MET 1265CO 0.04 0.00 -1.76 0.00 1.06 0.00 0.00 176.91 176.25 2bi4 h ALA 1266N 2.45 0.44 -0.10 6.32 0.00 -1.03 -3.33 119.26 124.00 2bi4 h ALA 1266Ca 0.00 -1.30 0.02 0.00 0.00 0.00 0.00 54.91 53.63 2bi4 h ALA 1266Cb 0.78 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2bi4 h ALA 1266CO 0.00 1.30 -0.04 0.45 0.00 0.00 0.00 179.25 180.96 2bi4 h HIS 1267N 0.06 -0.08 -0.36 0.00 3.86 -1.52 -0.76 115.15 116.35 2bi4 h HIS 1267Ca -0.33 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 58.93 2bi4 h HIS 1267Cb 2.03 0.05 -0.02 0.00 1.06 0.00 0.00 27.41 30.53 2bi4 h HIS 1267CO 0.06 -0.06 0.24 -1.35 0.86 0.00 0.00 177.93 177.68 2bi4 h PRO 1268N -0.02 0.30 -0.15 2.45 0.11 -1.74 0.18 132.00 133.14 2bi4 h PRO 1268Ca 0.05 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.06 2bi4 h PRO 1268Cb 0.10 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 2bi4 h PRO 1268CO -0.11 0.20 -0.28 1.25 -0.21 0.00 0.00 178.00 178.84 2bi4 h LEU 1269N 0.31 0.27 0.52 2.35 5.85 -1.41 -0.55 115.31 122.66 2bi4 h LEU 1269Ca 0.15 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2bi4 h LEU 1269Cb 0.21 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.18 2bi4 h LEU 1269CO -0.03 0.56 -0.25 1.23 -0.34 0.00 0.00 178.44 179.60 2bi4 h GLY 1270N 1.03 -0.73 0.12 3.75 0.00 0.71 -1.77 103.07 106.17 2bi4 h GLY 1270Ca 0.04 0.27 0.21 0.00 0.00 0.00 0.00 47.33 47.84 2bi4 h GLY 1270CO 0.05 -0.27 0.62 0.00 0.00 0.00 0.00 176.54 176.94 2bi4 h ALA 1271N -1.02 1.90 0.05 3.60 0.00 -1.13 0.29 119.26 122.95 2bi4 h ALA 1271Ca -0.07 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2bi4 h ALA 1271Cb 0.58 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.33 2bi4 h ALA 1271CO 0.12 -0.26 -0.33 0.74 0.00 0.00 0.00 179.25 179.52 2bi4 h PHE 1272N 0.61 0.20 0.00 0.00 -1.00 -1.12 -3.42 116.94 112.21 2bi4 h PHE 1272Ca 0.56 -0.15 0.00 0.00 2.81 0.00 0.00 57.97 61.19 2bi4 h PHE 1272Cb 1.07 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.62 2bi4 h PHE 1272CO -0.00 1.13 -0.05 0.66 -1.61 0.00 0.00 178.31 178.43 2bi4 n TYR 1273N -4.43 0.00 -2.36 -0.55 4.01 -0.67 -4.98 117.16 108.18 2bi4 n TYR 1273Ca -0.12 -0.65 -0.18 0.00 -0.16 0.00 0.00 57.90 56.80 2bi4 n TYR 1273Cb 0.61 -0.09 -0.01 0.00 -0.31 0.00 0.00 39.34 39.54 2bi4 n TYR 1273CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2bi4 n ASN 1274N -0.85 -5.14 -4.70 7.72 3.02 1.00 -4.90 115.26 111.41 2bi4 n ASN 1274Ca 0.07 0.08 -0.42 0.00 -0.03 0.00 0.00 54.58 54.29 2bi4 n ASN 1274Cb 0.49 -4.32 -0.03 0.00 -0.61 0.00 0.00 39.78 35.31 2bi4 n ASN 1274CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2bi4 s THR 1275N -2.86 3.90 0.00 3.41 2.01 -1.22 -4.91 115.64 115.97 2bi4 s THR 1275Ca 0.00 1.32 -0.35 0.00 0.31 0.00 0.00 61.69 62.96 2bi4 s THR 1275Cb 0.00 -3.84 -0.14 0.00 0.01 0.00 0.00 72.50 68.53 2bi4 s THR 1275CO 0.00 0.05 1.67 -2.65 -0.69 0.00 0.00 174.62 173.00 2bi4 n PRO 1276N 4.64 1.86 -0.35 4.92 -0.02 -1.26 -4.33 135.00 140.46 2bi4 n PRO 1276Ca 0.11 0.68 0.11 0.00 -2.02 0.00 0.00 63.50 62.37 2bi4 n PRO 1276Cb 0.45 -2.44 0.22 0.00 -0.02 0.00 0.00 33.50 31.71 2bi4 n PRO 1276CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2bi4 h HIS 1277N 7.02 -0.27 0.03 6.00 -0.00 -1.92 0.55 115.15 126.55 2bi4 h HIS 1277Ca -0.47 0.08 0.02 0.00 -0.00 0.00 0.00 60.37 60.00 2bi4 h HIS 1277Cb 1.28 0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 28.95 2bi4 h HIS 1277CO 0.73 -0.43 -0.11 0.78 -0.00 0.00 0.00 177.93 178.89 2bi4 h GLY 1278N 0.00 -0.16 1.28 5.26 0.00 -1.88 -1.69 103.07 105.88 2bi4 h GLY 1278Ca 0.55 0.13 -0.09 0.00 0.00 0.00 0.00 47.33 47.91 2bi4 h GLY 1278CO -0.97 -0.12 -0.07 -0.39 0.00 0.00 0.00 176.54 174.99 2bi4 h VAL 1279N -0.21 1.26 0.63 4.60 -1.51 -1.18 -0.77 116.25 119.07 2bi4 h VAL 1279Ca 0.03 -1.14 -0.03 0.00 -1.23 0.00 0.00 66.70 64.33 2bi4 h VAL 1279Cb 0.24 0.96 -0.00 0.00 -2.13 0.00 0.00 31.29 30.36 2bi4 h VAL 1279CO -0.09 0.40 -0.39 0.00 -1.23 0.00 0.00 177.57 176.26 2bi4 h ALA 1280N 1.14 -1.20 -0.56 5.19 0.00 -0.88 -0.56 119.26 122.39 2bi4 h ALA 1280Ca 0.14 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 54.95 2bi4 h ALA 1280Cb 0.57 0.50 -0.11 0.00 0.00 0.00 0.00 17.79 18.75 2bi4 h ALA 1280CO 0.03 -1.16 -0.26 -0.91 0.00 0.00 0.00 179.25 176.95 2bi4 h ASN 1281N -0.96 -0.92 -0.58 0.00 -0.26 -1.28 -1.52 115.58 110.06 2bi4 h ASN 1281Ca -0.09 0.20 0.10 0.00 -0.56 0.00 0.00 56.30 55.96 2bi4 h ASN 1281Cb 0.77 0.49 -0.11 0.00 -1.06 0.00 0.00 38.32 38.40 2bi4 h ASN 1281CO 0.09 -0.27 -0.34 0.00 -1.06 0.00 0.00 177.43 175.85 2bi4 h ALA 1282N 1.18 -0.06 -0.16 -0.83 0.00 -0.89 0.22 119.26 118.74 2bi4 h ALA 1282Ca 0.25 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 2bi4 h ALA 1282Cb 0.52 0.78 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2bi4 h ALA 1282CO -0.63 -0.68 0.08 0.82 0.00 0.00 0.00 179.25 178.84 2bi4 h ILE 1283N -0.17 1.11 0.13 0.00 2.04 -0.16 -3.34 117.51 117.12 2bi4 h ILE 1283Ca 0.23 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2bi4 h ILE 1283Cb 0.55 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 2bi4 h ILE 1283CO -0.67 0.10 -0.06 -0.07 0.00 0.00 0.00 178.15 177.45 2bi4 h LEU 1284N 0.15 -0.14 0.00 1.44 -0.00 -0.63 -3.40 115.31 112.73 2bi4 h LEU 1284Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 2bi4 h LEU 1284Cb 0.09 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 40.78 2bi4 h LEU 1284CO -0.01 -0.07 0.00 -0.11 -0.00 0.00 0.00 178.44 178.25 2bi4 n LEU 1285N -2.61 0.00 -0.15 1.67 7.94 0.73 0.49 117.00 125.07 2bi4 n LEU 1285Ca -0.02 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.85 2bi4 n LEU 1285Cb 0.07 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.07 2bi4 n LEU 1285CO 0.05 0.00 0.83 -0.65 -1.11 0.00 0.00 177.39 176.51 2bi4 h PRO 1286N 0.00 0.09 0.12 1.96 0.11 -1.77 0.48 132.00 132.99 2bi4 h PRO 1286Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2bi4 h PRO 1286Cb 0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 2bi4 h PRO 1286CO 0.00 0.06 -0.09 0.45 -0.21 0.00 0.00 178.00 178.21 2bi4 h HIS 1287N 0.09 -0.24 -0.74 0.65 3.86 -0.20 -1.35 115.15 117.21 2bi4 h HIS 1287Ca 0.24 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.48 2bi4 h HIS 1287Cb 0.36 0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.88 2bi4 h HIS 1287CO -0.32 -0.15 0.49 0.28 0.86 0.00 0.00 177.93 179.09 2bi4 h VAL 1288N -0.22 1.11 -0.28 2.45 2.07 -1.28 -1.17 116.25 118.93 2bi4 h VAL 1288Ca -0.00 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 67.24 2bi4 h VAL 1288Cb 0.20 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.06 2bi4 h VAL 1288CO -0.01 0.17 0.06 0.24 0.02 0.00 0.00 177.57 178.04 2bi4 h MET 1289N 0.90 0.16 0.37 1.57 2.86 0.78 -1.24 114.93 120.34 2bi4 h MET 1289Ca 0.30 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.92 2bi4 h MET 1289Cb 0.06 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 2bi4 h MET 1289CO -0.09 0.11 -0.36 0.00 1.06 0.00 0.00 176.91 177.63 2bi4 h ARG 1290N 0.16 -0.73 0.00 1.72 2.47 -0.19 1.22 114.38 119.04 2bi4 h ARG 1290Ca 0.13 0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.90 2bi4 h ARG 1290Cb 0.13 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 2bi4 h ARG 1290CO -0.17 -0.48 0.42 -0.92 0.56 0.00 0.00 179.97 179.38 2bi4 h TYR 1291N -0.75 0.00 0.00 3.04 3.20 -1.01 -1.50 116.97 119.94 2bi4 h TYR 1291Ca -0.03 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.71 2bi4 h TYR 1291Cb 0.67 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 2bi4 h TYR 1291CO -0.20 0.00 -1.68 0.09 -1.64 0.00 0.00 178.16 174.73 2bi4 n ASN 1292N -2.56 2.27 -0.01 -2.11 3.02 0.17 -4.82 115.26 111.22 2bi4 n ASN 1292Ca -0.01 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.53 2bi4 n ASN 1292Cb 0.45 1.06 -0.00 0.00 -0.61 0.00 0.00 39.78 40.68 2bi4 n ASN 1292CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bi4 n ALA 1293N -2.23 -0.01 -0.09 5.41 0.00 0.40 -0.04 120.51 123.94 2bi4 n ALA 1293Ca -0.12 0.02 0.26 0.00 0.00 0.00 0.00 53.44 53.60 2bi4 n ALA 1293Cb 0.66 0.07 0.68 0.00 0.00 0.00 0.00 19.45 20.86 2bi4 n ALA 1293CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2bi4 h ASP 1294N 0.00 0.00 -1.68 0.00 3.32 -1.87 -2.44 116.42 113.75 2bi4 h ASP 1294Ca 0.00 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 56.35 2bi4 h ASP 1294Cb 0.01 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 39.25 2bi4 h ASP 1294CO -0.02 0.00 0.56 0.49 -1.72 0.00 0.00 179.24 178.54 2bi4 n PHE 1295N -3.73 3.10 -2.36 4.55 3.01 0.94 -4.49 117.46 118.48 2bi4 n PHE 1295Ca 0.16 -2.59 0.01 0.00 1.01 0.00 0.00 57.45 56.04 2bi4 n PHE 1295Cb 1.00 -0.95 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 2bi4 n PHE 1295CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 2bi4 n THR 1296N -0.59 0.00 0.00 4.37 -2.24 -0.92 -4.79 114.28 110.10 2bi4 n THR 1296Ca 0.52 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2bi4 n THR 1296Cb 0.43 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 2bi4 n THR 1296CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bi4 n GLY 1297N 0.36 1.07 0.00 3.38 0.00 -1.26 -0.40 105.19 108.33 2bi4 n GLY 1297Ca -0.01 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 45.99 2bi4 n GLY 1297CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bi4 n GLU 1298N 9.84 0.71 -0.28 1.61 -0.58 -1.26 -4.37 120.64 126.32 2bi4 n GLU 1298Ca 0.00 0.01 -0.06 0.00 -0.42 0.00 0.00 57.16 56.69 2bi4 n GLU 1298Cb 0.00 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.35 2bi4 n GLU 1298CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2bi4 h LYS 1299N 0.00 -0.12 -0.48 3.49 1.79 -1.14 -1.37 116.57 118.74 2bi4 h LYS 1299Ca 0.00 0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.50 2bi4 h LYS 1299Cb 0.07 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.72 2bi4 h LYS 1299CO 0.00 -0.08 0.32 1.88 -1.08 0.00 0.00 179.45 180.48 2bi4 h TYR 1300N -0.13 0.53 -0.41 -1.35 -1.99 -1.76 -0.82 116.97 111.03 2bi4 h TYR 1300Ca 0.23 0.01 0.06 0.00 2.00 0.00 0.00 58.73 61.03 2bi4 h TYR 1300Cb 0.55 -0.18 -0.05 0.00 2.00 0.00 0.00 36.73 39.05 2bi4 h TYR 1300CO -0.79 0.31 0.09 -0.09 -0.00 0.00 0.00 178.16 177.68 2bi4 h ARG 1301N 0.55 0.22 -0.43 4.88 9.65 -1.53 0.42 114.38 128.13 2bi4 h ARG 1301Ca 0.19 -0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 59.00 2bi4 h ARG 1301Cb 0.07 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 2bi4 h ARG 1301CO -0.05 0.14 0.07 -0.44 2.80 0.00 0.00 179.97 182.50 2bi4 h ASP 1302N 0.23 0.68 -0.24 -3.80 3.32 -1.12 -2.34 116.42 113.15 2bi4 h ASP 1302Ca 0.20 -0.26 0.04 0.00 0.02 0.00 0.00 57.03 57.03 2bi4 h ASP 1302Cb 0.24 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 2bi4 h ASP 1302CO -0.25 0.77 0.02 0.40 -1.72 0.00 0.00 179.24 178.45 2bi4 h ILE 1303N 0.57 0.86 -0.66 0.35 2.04 -0.17 -2.62 117.51 117.87 2bi4 h ILE 1303Ca 0.13 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.97 2bi4 h ILE 1303Cb 0.38 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 2bi4 h ILE 1303CO 0.01 0.02 0.43 0.00 0.00 0.00 0.00 178.15 178.61 2bi4 h ALA 1304N 1.19 0.85 0.46 1.87 0.00 -0.08 -3.00 119.26 120.54 2bi4 h ALA 1304Ca 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2bi4 h ALA 1304Cb 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2bi4 h ALA 1304CO -0.17 0.23 -0.34 -0.09 0.00 0.00 0.00 179.25 178.88 2bi4 h ARG 1305N 0.86 -0.74 0.00 0.00 2.43 -1.13 -0.97 114.38 114.83 2bi4 h ARG 1305Ca 0.25 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 2bi4 h ARG 1305Cb -0.06 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2bi4 h ARG 1305CO -0.07 -0.49 0.00 1.33 -1.51 0.00 0.00 179.97 179.22 2bi4 n VAL 1306N -4.50 0.00 -0.46 0.20 0.24 -1.01 0.07 118.33 112.87 2bi4 n VAL 1306Ca -0.09 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.27 2bi4 n VAL 1306Cb 0.33 -0.91 0.19 0.00 -1.47 0.00 0.00 33.84 31.99 2bi4 n VAL 1306CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 2bi4 n MET 1307N -0.94 2.91 0.00 7.34 2.81 -0.86 -4.47 117.12 123.91 2bi4 n MET 1307Ca 0.01 -2.33 0.00 0.00 -1.81 0.00 0.00 57.70 53.58 2bi4 n MET 1307Cb 0.01 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.04 2bi4 n MET 1307CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2bi4 n GLY 1308N 0.18 1.82 3.69 3.03 0.00 0.11 -5.03 105.19 108.99 2bi4 n GLY 1308Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2bi4 n GLY 1308CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bi4 s VAL 1309N -2.34 3.49 -1.30 1.61 1.01 -0.43 -4.91 120.40 117.54 2bi4 s VAL 1309Ca 0.00 0.91 -0.16 0.00 0.00 0.00 0.00 61.98 62.73 2bi4 s VAL 1309Cb 0.00 -3.59 0.09 0.00 0.00 0.00 0.00 36.38 32.89 2bi4 s VAL 1309CO 0.00 0.01 1.73 0.29 0.00 0.00 0.00 175.10 177.13 2bi4 n LYS 1310N 5.28 3.22 0.00 2.72 5.02 -1.26 -3.78 118.16 129.35 2bi4 n LYS 1310Ca 0.14 -3.34 0.00 0.00 -2.02 0.00 0.00 58.31 53.08 2bi4 n LYS 1310Cb 0.43 -3.35 0.00 0.00 -0.02 0.00 0.00 35.03 32.08 2bi4 n LYS 1310CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2bi4 n VAL 1311N 5.74 0.00 0.00 -0.18 0.31 -1.26 -4.48 118.33 118.45 2bi4 n VAL 1311Ca 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.79 2bi4 n VAL 1311Cb 0.44 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 33.15 2bi4 n VAL 1311CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2bi4 n GLU 1312N 0.17 0.00 -0.54 5.55 2.13 -1.26 -2.98 120.64 123.71 2bi4 n GLU 1312Ca 0.00 0.53 -0.03 0.00 0.66 0.00 0.00 57.16 58.33 2bi4 n GLU 1312Cb 0.09 -1.32 0.17 0.00 0.27 0.00 0.00 31.44 30.64 2bi4 n GLU 1312CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2bi4 n GLY 1313N -0.90 2.68 3.83 8.31 0.00 -1.26 -4.94 105.19 112.91 2bi4 n GLY 1313Ca 0.00 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 2bi4 n GLY 1313CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2bi4 s MET 1314N -1.85 4.11 0.44 1.61 -1.94 -1.16 -5.07 119.30 115.45 2bi4 s MET 1314Ca 0.29 0.87 -0.07 0.00 -1.71 0.00 0.00 55.69 55.06 2bi4 s MET 1314Cb 0.23 -2.36 -0.05 0.00 2.01 0.00 0.00 34.83 34.66 2bi4 s MET 1314CO 0.07 0.10 0.76 -1.54 -0.01 0.00 0.00 175.02 174.40 2bi4 s SER 1315N -2.20 6.38 0.30 3.03 1.04 -1.26 -4.80 113.70 116.19 2bi4 s SER 1315Ca 0.57 1.00 0.05 0.00 0.48 0.00 0.00 55.95 58.04 2bi4 s SER 1315Cb -0.10 -2.27 0.69 0.00 0.10 0.00 0.00 66.02 64.44 2bi4 s SER 1315CO 0.16 -0.48 1.79 0.25 0.98 0.00 0.00 173.24 175.94 2bi4 h LEU 1316N 0.74 0.82 -0.16 2.42 5.85 -1.99 0.38 115.31 123.37 2bi4 h LEU 1316Ca -0.47 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.33 2bi4 h LEU 1316Cb 1.20 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 2bi4 h LEU 1316CO 0.63 0.33 0.08 -0.33 -0.34 0.00 0.00 178.44 178.81 2bi4 h GLU 1317N 0.82 0.22 0.10 1.25 3.07 -1.99 0.20 114.58 118.24 2bi4 h GLU 1317Ca 0.56 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 59.40 2bi4 h GLU 1317Cb 0.80 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.62 2bi4 h GLU 1317CO -0.36 0.23 -0.47 0.93 -1.40 0.00 0.00 179.01 177.94 2bi4 h GLU 1318N 0.15 -0.64 -0.37 2.33 3.07 -0.95 -2.21 114.58 115.97 2bi4 h GLU 1318Ca 0.05 0.04 0.08 0.00 -0.50 0.00 0.00 59.36 59.03 2bi4 h GLU 1318Cb 0.08 0.15 -0.07 0.00 -0.84 0.00 0.00 28.75 28.06 2bi4 h GLU 1318CO -0.01 -0.43 -0.11 0.00 -1.40 0.00 0.00 179.01 177.07 2bi4 h ALA 1319N -0.65 0.22 -0.95 3.43 0.00 -0.32 -0.68 119.26 120.31 2bi4 h ALA 1319Ca -0.00 0.14 0.22 0.00 0.00 0.00 0.00 54.91 55.27 2bi4 h ALA 1319Cb 0.67 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 2bi4 h ALA 1319CO -0.26 -0.47 0.63 0.00 0.00 0.00 0.00 179.25 179.14 2bi4 h ARG 1320N -0.02 0.38 0.03 0.00 3.08 -0.63 0.23 114.38 117.46 2bi4 h ARG 1320Ca 0.18 -0.02 -0.24 0.00 0.07 0.00 0.00 59.98 59.96 2bi4 h ARG 1320Cb 0.30 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.27 2bi4 h ARG 1320CO -0.39 0.25 -1.03 -0.91 -1.07 0.00 0.00 179.97 176.82 2bi4 h ASN 1321N 0.39 0.57 -0.63 7.04 2.35 -0.55 -2.78 115.58 121.96 2bi4 h ASN 1321Ca 0.51 -0.48 0.02 0.00 -0.55 0.00 0.00 56.30 55.80 2bi4 h ASN 1321Cb 1.30 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 39.45 2bi4 h ASN 1321CO -0.20 1.30 0.40 0.00 -1.65 0.00 0.00 177.43 177.28 2bi4 h ALA 1322N 0.65 0.82 0.83 -0.83 0.00 0.32 -0.17 119.26 120.89 2bi4 h ALA 1322Ca -0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2bi4 h ALA 1322Cb 1.68 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 2bi4 h ALA 1322CO 0.18 0.16 -0.48 0.00 0.00 0.00 0.00 179.25 179.11 2bi4 h ALA 1323N 1.26 -1.26 -0.86 0.00 0.00 -1.02 0.42 119.26 117.80 2bi4 h ALA 1323Ca 0.25 -0.26 0.15 0.00 0.00 0.00 0.00 54.91 55.05 2bi4 h ALA 1323Cb -0.01 0.58 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 2bi4 h ALA 1323CO -0.09 -1.22 0.56 -0.24 0.00 0.00 0.00 179.25 178.26 2bi4 h VAL 1324N -1.22 0.82 -0.24 0.00 3.04 -1.33 -1.45 116.25 115.87 2bi4 h VAL 1324Ca -0.11 -0.22 -0.10 0.00 -1.01 0.00 0.00 66.70 65.26 2bi4 h VAL 1324Cb 0.97 0.14 -0.00 0.00 -2.01 0.00 0.00 31.29 30.38 2bi4 h VAL 1324CO 0.13 0.11 -0.24 -0.08 -1.01 0.00 0.00 177.57 176.49 2bi4 h GLU 1325N 0.63 0.58 -0.90 4.17 4.57 -0.56 -2.60 114.58 120.47 2bi4 h GLU 1325Ca 0.43 -0.31 0.17 0.00 -1.18 0.00 0.00 59.36 58.48 2bi4 h GLU 1325Cb 0.76 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.29 2bi4 h GLU 1325CO -0.19 0.90 0.58 0.00 -1.18 0.00 0.00 179.01 179.13 2bi4 h ALA 1326N 0.67 1.99 0.52 2.92 0.00 0.89 0.97 119.26 127.22 2bi4 h ALA 1326Ca 0.04 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2bi4 h ALA 1326Cb 0.79 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.52 2bi4 h ALA 1326CO 0.06 -0.26 -0.25 0.28 0.00 0.00 0.00 179.25 179.07 2bi4 h VAL 1327N 0.56 0.00 -0.92 0.00 2.07 -1.27 -2.07 116.25 114.61 2bi4 h VAL 1327Ca 0.47 -0.34 0.26 0.00 0.82 0.00 0.00 66.70 67.91 2bi4 h VAL 1327Cb 0.94 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.55 2bi4 h VAL 1327CO -0.21 0.00 0.19 -0.26 0.02 0.00 0.00 177.57 177.31 2bi4 h PHE 1328N -1.04 0.25 -0.47 1.57 0.04 -1.01 0.24 116.94 116.52 2bi4 h PHE 1328Ca -0.07 0.06 0.07 0.00 2.80 0.00 0.00 57.97 60.82 2bi4 h PHE 1328Cb 0.54 0.04 -0.06 0.00 2.20 0.00 0.00 35.95 38.67 2bi4 h PHE 1328CO 0.02 -0.31 0.13 0.00 -0.60 0.00 0.00 178.31 177.55 2bi4 h ALA 1329N 1.87 0.55 0.13 2.45 0.00 -0.75 -2.47 119.26 121.03 2bi4 h ALA 1329Ca 0.59 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.57 2bi4 h ALA 1329Cb 1.25 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2bi4 h ALA 1329CO -0.75 -0.27 -0.06 1.25 0.00 0.00 0.00 179.25 179.42 2bi4 h LEU 1330N 0.28 -0.15 -0.74 0.00 5.85 0.17 -1.68 115.31 119.05 2bi4 h LEU 1330Ca 0.23 -0.23 0.17 0.00 0.84 0.00 0.00 57.88 58.89 2bi4 h LEU 1330Cb 0.27 0.04 -0.12 0.00 0.37 0.00 0.00 40.66 41.22 2bi4 h LEU 1330CO -0.27 0.15 0.13 0.78 -0.34 0.00 0.00 178.44 178.90 2bi4 h ASN 1331N -0.45 -0.08 0.47 1.25 4.21 -1.20 0.49 115.58 120.27 2bi4 h ASN 1331Ca -0.02 0.16 -0.02 0.00 1.21 0.00 0.00 56.30 57.63 2bi4 h ASN 1331Cb 0.36 0.24 0.00 0.00 -1.12 0.00 0.00 38.32 37.80 2bi4 h ASN 1331CO 0.03 -0.08 -0.26 0.03 -1.29 0.00 0.00 177.43 175.86 2bi4 h ARG 1332N 0.22 -0.65 -1.00 0.81 3.08 -1.39 -0.29 114.38 115.17 2bi4 h ARG 1332Ca 0.42 0.04 0.29 0.00 0.07 0.00 0.00 59.98 60.80 2bi4 h ARG 1332Cb 0.73 0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.89 2bi4 h ARG 1332CO -0.55 -0.43 0.95 -0.44 -1.07 0.00 0.00 179.97 178.42 2bi4 h ASP 1333N -0.67 0.00 0.12 7.04 3.32 -0.19 0.41 116.42 126.45 2bi4 h ASP 1333Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2bi4 h ASP 1333Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2bi4 h ASP 1333CO 0.09 0.00 -0.72 0.52 -1.72 0.00 0.00 179.24 177.40 2bi4 n VAL 1334N -3.65 0.00 -0.36 -1.35 0.31 0.16 -4.98 118.33 108.46 2bi4 n VAL 1334Ca 0.22 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 2bi4 n VAL 1334Cb 1.27 0.84 0.00 0.00 -0.91 0.00 0.00 33.84 35.04 2bi4 n VAL 1334CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2bi4 n GLY 1335N 1.47 0.79 3.70 2.92 0.00 0.14 -4.85 105.19 109.36 2bi4 n GLY 1335Ca 0.06 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 2bi4 n GLY 1335CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bi4 s ILE 1336N -2.00 5.12 0.27 -0.61 1.01 -0.27 -5.03 121.20 119.69 2bi4 s ILE 1336Ca 0.00 1.10 -0.30 0.00 0.00 0.00 0.00 60.65 61.44 2bi4 s ILE 1336Cb 0.00 -3.89 -0.13 0.00 0.01 0.00 0.00 42.46 38.45 2bi4 s ILE 1336CO 0.00 0.26 1.46 -0.81 0.00 0.00 0.00 174.94 175.85 2bi4 n PRO 1337N 4.06 2.29 0.09 2.79 -0.04 -1.26 -4.46 135.00 138.46 2bi4 n PRO 1337Ca -0.05 0.81 -0.02 0.00 -0.04 0.00 0.00 63.50 64.20 2bi4 n PRO 1337Cb 0.51 -2.51 0.22 0.00 -0.04 0.00 0.00 33.50 31.68 2bi4 n PRO 1337CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2bi4 h PRO 1338N 4.24 0.25 -6.63 0.54 0.13 -1.95 -3.43 132.00 125.14 2bi4 h PRO 1338Ca -0.46 -0.12 -0.67 0.00 -0.87 0.00 0.00 66.00 63.87 2bi4 h PRO 1338Cb 1.26 -0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.20 2bi4 h PRO 1338CO 0.76 0.63 -0.78 -1.01 -0.23 0.00 0.00 178.00 177.37 2bi4 s HIS 1339N -4.14 2.61 0.15 1.56 3.76 -1.26 -4.90 115.29 113.07 2bi4 s HIS 1339Ca -0.05 -0.22 0.34 0.00 -0.15 0.00 0.00 55.06 54.98 2bi4 s HIS 1339Cb 0.13 -1.40 1.62 0.00 1.11 0.00 0.00 32.58 34.04 2bi4 s HIS 1339CO 0.77 0.38 2.03 -0.07 -0.85 0.00 0.00 174.74 177.00 2bi4 h LEU 1340N 3.84 0.00 -0.88 0.89 3.38 -1.55 -1.03 115.31 119.97 2bi4 h LEU 1340Ca -0.49 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.36 2bi4 h LEU 1340Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2bi4 h LEU 1340CO 0.48 0.00 -0.44 0.08 0.09 0.00 0.00 178.44 178.66 2bi4 h ARG 1341N 0.00 0.27 0.00 1.13 0.11 -1.81 -0.85 114.38 113.23 2bi4 h ARG 1341Ca 0.00 -0.14 -0.06 0.00 0.10 0.00 0.00 59.98 59.89 2bi4 h ARG 1341Cb 0.27 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.35 2bi4 h ARG 1341CO 0.00 0.66 -0.27 -0.44 0.10 0.00 0.00 179.97 180.02 2bi4 h ASP 1342N 0.22 0.00 -0.78 0.08 3.32 -1.54 -2.57 116.42 115.15 2bi4 h ASP 1342Ca 0.02 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.80 2bi4 h ASP 1342Cb 0.86 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.25 2bi4 h ASP 1342CO 0.07 0.27 0.33 1.33 -1.72 0.00 0.00 179.24 179.52 2bi4 n VAL 1343N -3.78 2.99 -1.07 -1.35 0.24 -0.96 -4.93 118.33 109.48 2bi4 n VAL 1343Ca -0.01 -1.70 -0.02 0.00 -2.04 0.00 0.00 64.34 60.57 2bi4 n VAL 1343Cb 0.37 -0.38 -0.01 0.00 -1.47 0.00 0.00 33.84 32.35 2bi4 n VAL 1343CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bi4 n GLY 1344N -0.32 0.53 3.74 7.63 0.00 -0.97 -4.94 105.19 110.87 2bi4 n GLY 1344Ca 0.44 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2bi4 n GLY 1344CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bi4 s VAL 1345N -1.87 3.20 0.29 1.61 1.01 -0.36 -5.01 120.40 119.26 2bi4 s VAL 1345Ca 0.00 1.02 0.01 0.00 0.00 0.00 0.00 61.98 63.02 2bi4 s VAL 1345Cb 0.00 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 2bi4 s VAL 1345CO 0.00 0.17 0.47 -0.13 0.00 0.00 0.00 175.10 175.60 2bi4 s ARG 1346N -0.37 3.48 0.00 2.72 0.52 -1.26 -4.55 118.95 119.50 2bi4 s ARG 1346Ca 0.55 -0.44 0.24 0.00 -0.52 0.00 0.00 55.73 55.55 2bi4 s ARG 1346Cb -0.36 -2.76 0.24 0.00 0.52 0.00 0.00 34.95 32.59 2bi4 s ARG 1346CO 0.40 0.28 1.26 1.63 0.02 0.00 0.00 175.30 178.88 2bi4 n LYS 1347N -1.44 1.51 0.08 3.54 5.02 -1.26 -3.75 118.16 121.86 2bi4 n LYS 1347Ca -0.06 -1.19 0.07 0.00 -2.02 0.00 0.00 58.31 55.11 2bi4 n LYS 1347Cb 0.56 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 34.07 2bi4 n LYS 1347CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 2bi4 h GLU 1348N 2.90 0.00 0.00 1.97 4.11 -2.03 -3.35 114.58 118.17 2bi4 h GLU 1348Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2bi4 h GLU 1348Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2bi4 h GLU 1348CO 0.00 0.13 -1.14 -0.25 0.07 0.00 0.00 179.01 177.82 2bi4 n ASP 1349N -2.80 0.58 -0.29 3.06 8.00 -1.25 -4.43 116.55 119.42 2bi4 n ASP 1349Ca -0.03 -0.13 0.11 0.00 0.71 0.00 0.00 54.79 55.45 2bi4 n ASP 1349Cb 0.67 0.90 0.25 0.00 -0.02 0.00 0.00 41.12 42.92 2bi4 n ASP 1349CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2bi4 h ILE 1350N 0.00 0.26 -0.81 0.53 2.04 -1.71 0.44 117.51 118.27 2bi4 h ILE 1350Ca 0.00 -0.04 0.06 0.00 1.00 0.00 0.00 64.86 65.87 2bi4 h ILE 1350Cb 0.80 0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 2bi4 h ILE 1350CO 0.00 0.02 0.53 1.55 0.00 0.00 0.00 178.15 180.25 2bi4 h PRO 1351N 0.13 0.88 0.36 2.37 0.13 -1.86 0.24 132.00 134.25 2bi4 h PRO 1351Ca 0.52 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.58 2bi4 h PRO 1351Cb 1.02 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2bi4 h PRO 1351CO -0.72 0.58 -0.17 0.00 -0.23 0.00 0.00 178.00 177.46 2bi4 h ALA 1352N 1.55 -0.48 -0.14 -0.56 0.00 -0.45 -2.65 119.26 116.52 2bi4 h ALA 1352Ca 0.34 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.13 2bi4 h ALA 1352Cb 0.19 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2bi4 h ALA 1352CO -0.12 -0.66 -0.19 -0.07 0.00 0.00 0.00 179.25 178.22 2bi4 h LEU 1353N -0.71 -0.58 -0.74 0.00 3.38 -0.86 -0.25 115.31 115.54 2bi4 h LEU 1353Ca -0.05 0.10 0.17 0.00 0.09 0.00 0.00 57.88 58.19 2bi4 h LEU 1353Cb 0.49 0.27 -0.13 0.00 0.09 0.00 0.00 40.66 41.39 2bi4 h LEU 1353CO 0.08 -0.24 0.02 0.00 0.09 0.00 0.00 178.44 178.40 2bi4 h ALA 1354N 0.80 0.79 0.13 1.53 0.00 -0.53 0.70 119.26 122.68 2bi4 h ALA 1354Ca 0.10 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2bi4 h ALA 1354Cb 0.38 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2bi4 h ALA 1354CO -0.28 -0.42 -0.06 0.37 0.00 0.00 0.00 179.25 178.86 2bi4 h GLN 1355N 0.12 -0.16 -0.56 0.00 5.75 -0.99 0.19 115.11 119.46 2bi4 h GLN 1355Ca 0.41 0.01 0.11 0.00 -0.15 0.00 0.00 58.65 59.03 2bi4 h GLN 1355Cb 0.71 0.04 -0.10 0.00 1.07 0.00 0.00 27.48 29.20 2bi4 h GLN 1355CO -0.64 -0.05 -0.07 0.00 -2.65 0.00 0.00 178.83 175.42 2bi4 h ALA 1356N 0.63 0.46 -0.53 3.38 0.00 0.11 -0.35 119.26 122.96 2bi4 h ALA 1356Ca -0.02 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2bi4 h ALA 1356Cb 0.19 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2bi4 h ALA 1356CO 0.03 -0.42 0.19 0.00 0.00 0.00 0.00 179.25 179.05 2bi4 h ALA 1357N 1.54 0.69 -0.74 0.00 0.00 0.59 -1.42 119.26 119.92 2bi4 h ALA 1357Ca 0.28 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.13 2bi4 h ALA 1357Cb 0.44 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 2bi4 h ALA 1357CO -0.53 0.33 0.49 1.25 0.00 0.00 0.00 179.25 180.78 2bi4 h LEU 1358N 0.72 0.50 0.00 0.00 5.85 0.99 -1.79 115.31 121.59 2bi4 h LEU 1358Ca 0.17 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 2bi4 h LEU 1358Cb 0.24 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2bi4 h LEU 1358CO -0.01 0.29 -0.75 0.44 -0.34 0.00 0.00 178.44 178.07 2bi4 h ASP 1359N 0.55 0.00 -2.59 1.25 3.32 -0.74 -3.47 116.42 114.73 2bi4 h ASP 1359Ca 0.35 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.81 2bi4 h ASP 1359Cb 0.60 0.00 0.08 0.00 0.22 0.00 0.00 39.33 40.23 2bi4 h ASP 1359CO -0.12 0.23 0.59 -0.67 -1.72 0.00 0.00 179.24 177.55 2bi4 n ASP 1360N -2.94 2.65 -0.25 6.45 2.03 -0.58 -4.89 116.55 119.02 2bi4 n ASP 1360Ca -0.01 1.14 0.01 0.00 0.52 0.00 0.00 54.79 56.45 2bi4 n ASP 1360Cb 0.65 -1.41 0.14 0.00 -0.72 0.00 0.00 41.12 39.78 2bi4 n ASP 1360CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 2bi4 h VAL 1361N 3.04 0.88 -0.81 5.18 -1.51 -1.91 -2.60 116.25 118.51 2bi4 h VAL 1361Ca -0.45 -0.23 0.11 0.00 -1.23 0.00 0.00 66.70 64.91 2bi4 h VAL 1361Cb 1.28 0.17 -0.08 0.00 -2.13 0.00 0.00 31.29 30.53 2bi4 h VAL 1361CO 0.76 0.12 0.44 0.00 -1.23 0.00 0.00 177.57 177.66 2bi4 h THR 1363N 0.70 0.07 -0.40 0.00 2.02 -1.54 -1.08 112.91 112.68 2bi4 h THR 1363Ca 0.41 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.71 2bi4 h THR 1363Cb 0.46 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 2bi4 h THR 1363CO -0.29 0.00 0.86 1.23 0.37 0.00 0.00 175.52 177.69 2bi4 h GLY 1364N -0.08 0.00 1.89 2.16 0.00 -1.69 0.45 103.07 105.80 2bi4 h GLY 1364Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 2bi4 h GLY 1364CO -0.85 0.00 -0.07 0.61 0.00 0.00 0.00 176.54 176.23 2bi4 n GLY 1365N -1.52 -1.56 3.67 4.60 0.00 -0.41 -4.87 105.19 105.09 2bi4 n GLY 1365Ca 0.08 -0.10 -0.46 0.00 0.00 0.00 0.00 46.02 45.55 2bi4 n GLY 1365CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bi4 n ASN 1366N -1.82 2.85 0.28 1.61 5.15 0.16 -1.04 115.26 122.44 2bi4 n ASN 1366Ca 0.06 1.11 0.15 0.00 -0.60 0.00 0.00 54.58 55.30 2bi4 n ASN 1366Cb 0.38 -1.41 0.88 0.00 -0.53 0.00 0.00 39.78 39.09 2bi4 n ASN 1366CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2bi4 h PRO 1367N 5.03 0.00 -4.98 1.20 0.13 -1.88 -3.39 132.00 128.10 2bi4 h PRO 1367Ca -0.45 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.01 2bi4 h PRO 1367Cb 1.27 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 32.05 2bi4 h PRO 1367CO 0.82 0.00 -0.82 0.50 -0.23 0.00 0.00 178.00 178.27 2bi4 s ARG 1368N -4.67 2.79 0.31 0.86 3.52 -1.26 -4.97 118.95 115.52 2bi4 s ARG 1368Ca -0.05 -0.98 -0.27 0.00 -0.13 0.00 0.00 55.73 54.30 2bi4 s ARG 1368Cb 0.15 -2.75 -0.14 0.00 -1.56 0.00 0.00 34.95 30.65 2bi4 s ARG 1368CO 0.56 -0.34 0.99 0.39 -0.81 0.00 0.00 175.30 176.09 2bi4 n GLU 1369N 4.59 1.33 -5.01 5.12 1.02 -1.26 -4.97 120.64 121.46 2bi4 n GLU 1369Ca -0.18 0.47 -0.27 0.00 -0.02 0.00 0.00 57.16 57.15 2bi4 n GLU 1369Cb 0.47 -1.85 -0.16 0.00 -0.02 0.00 0.00 31.44 29.89 2bi4 n GLU 1369CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bi4 s ALA 1370N -1.09 1.72 0.08 0.62 0.00 -1.26 -5.12 121.76 116.71 2bi4 s ALA 1370Ca 0.59 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.70 2bi4 s ALA 1370Cb -0.68 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 2bi4 s ALA 1370CO 0.60 0.40 0.12 0.99 0.00 0.00 0.00 175.76 177.87 2bi4 s THR 1371N -0.40 4.77 0.25 0.00 2.01 -1.26 -4.96 115.64 116.05 2bi4 s THR 1371Ca 0.06 -0.68 -0.05 0.00 0.31 0.00 0.00 61.69 61.32 2bi4 s THR 1371Cb -0.09 -3.32 0.40 0.00 0.01 0.00 0.00 72.50 69.50 2bi4 s THR 1371CO -0.00 0.11 1.36 -0.11 -0.69 0.00 0.00 174.62 175.29 2bi4 n LEU 1372N 0.35 -0.28 -0.28 4.42 7.94 -1.26 0.75 117.00 128.65 2bi4 n LEU 1372Ca -0.08 1.50 -0.06 0.00 -1.11 0.00 0.00 56.01 56.26 2bi4 n LEU 1372Cb 0.52 -0.47 0.06 0.00 0.53 0.00 0.00 43.42 44.05 2bi4 n LEU 1372CO 0.46 -1.45 1.01 -0.33 -1.11 0.00 0.00 177.39 175.97 2bi4 h GLU 1373N 0.00 1.16 -1.00 1.96 3.07 -1.96 0.23 114.58 118.05 2bi4 h GLU 1373Ca 0.44 -0.23 0.01 0.00 -0.50 0.00 0.00 59.36 59.07 2bi4 h GLU 1373Cb 0.72 -0.18 -0.05 0.00 -0.84 0.00 0.00 28.75 28.40 2bi4 h GLU 1373CO -0.88 0.97 0.66 -0.44 -1.40 0.00 0.00 179.01 177.91 2bi4 h ASP 1374N 1.12 1.15 -0.26 1.42 5.19 -0.05 0.69 116.42 125.68 2bi4 h ASP 1374Ca 0.25 -0.03 -0.12 0.00 -0.62 0.00 0.00 57.03 56.50 2bi4 h ASP 1374Cb 0.27 -0.29 -0.00 0.00 0.18 0.00 0.00 39.33 39.49 2bi4 h ASP 1374CO -0.01 0.84 -0.31 0.40 -3.12 0.00 0.00 179.24 177.04 2bi4 h ILE 1375N 1.36 1.31 -0.21 0.35 2.04 -0.66 -2.00 117.51 119.69 2bi4 h ILE 1375Ca 0.36 -1.49 0.05 0.00 1.00 0.00 0.00 64.86 64.79 2bi4 h ILE 1375Cb -0.15 1.65 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 2bi4 h ILE 1375CO -0.08 0.47 -0.14 0.58 0.00 0.00 0.00 178.15 178.99 2bi4 h VAL 1376N 0.40 0.60 -0.68 1.67 2.07 -0.47 0.37 116.25 120.21 2bi4 h VAL 1376Ca 0.04 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.70 2bi4 h VAL 1376Cb 0.88 0.60 -0.13 0.00 -1.52 0.00 0.00 31.29 31.13 2bi4 h VAL 1376CO 0.07 0.00 -0.12 -0.33 0.02 0.00 0.00 177.57 177.21 2bi4 h GLU 1377N -0.13 0.03 0.50 1.57 4.39 -0.74 -0.72 114.58 119.49 2bi4 h GLU 1377Ca 0.12 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 2bi4 h GLU 1377Cb 0.31 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2bi4 h GLU 1377CO -0.29 0.02 -0.24 -0.07 -1.16 0.00 0.00 179.01 177.27 2bi4 h LEU 1378N 0.03 -0.57 -0.96 1.33 3.38 -0.03 -0.15 115.31 118.33 2bi4 h LEU 1378Ca 0.34 -0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.47 2bi4 h LEU 1378Cb 0.54 0.15 -0.10 0.00 0.09 0.00 0.00 40.66 41.34 2bi4 h LEU 1378CO -0.67 -0.35 0.56 1.88 0.09 0.00 0.00 178.44 179.95 2bi4 h TYR 1379N -0.75 0.99 0.47 1.13 0.05 0.05 -1.21 116.97 117.69 2bi4 h TYR 1379Ca -0.07 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.72 2bi4 h TYR 1379Cb 0.55 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 38.01 2bi4 h TYR 1379CO -0.02 0.23 -0.23 0.45 -1.05 0.00 0.00 178.16 177.54 2bi4 h HIS 1380N 0.74 -0.59 0.00 4.88 3.86 -0.88 -0.79 115.15 122.37 2bi4 h HIS 1380Ca 0.54 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.74 2bi4 h HIS 1380Cb 0.80 0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.47 2bi4 h HIS 1380CO -0.03 -0.27 0.00 0.25 0.86 0.00 0.00 177.93 178.74 2bi4 n THR 1381N -5.26 0.00 0.04 2.45 -2.24 -0.09 -0.55 114.28 108.63 2bi4 n THR 1381Ca -0.11 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.70 2bi4 n THR 1381Cb 0.31 -0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 67.89 2bi4 n THR 1381CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bi4 n ALA 1382N -0.77 2.29 0.90 6.98 0.00 -0.51 -5.03 120.51 124.38 2bi4 n ALA 1382Ca 0.04 -0.14 0.07 0.00 0.00 0.00 0.00 53.44 53.42 2bi4 n ALA 1382Cb 0.02 -0.19 0.43 0.00 0.00 0.00 0.00 19.45 19.70 2bi4 n ALA 1382CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37