#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ny4 s LYS 1002N 0.00 4.31 -0.11 1.64 -0.14 -1.23 -4.87 119.74 119.34 2ny4 s LYS 1002Ca 0.00 2.24 0.03 0.00 -1.36 0.00 0.00 55.97 56.89 2ny4 s LYS 1002Cb 0.00 -3.10 0.00 0.00 -1.68 0.00 0.00 37.83 33.05 2ny4 s LYS 1002CO 0.00 -0.31 -0.22 0.08 -0.76 0.00 0.00 175.35 174.14 2ny4 s VAL 1003N -0.50 1.97 -0.08 3.17 1.01 -1.26 0.54 120.40 125.25 2ny4 s VAL 1003Ca 0.54 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.60 2ny4 s VAL 1003Cb -0.40 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.26 2ny4 s VAL 1003CO 0.47 0.54 -0.19 -0.69 0.00 0.00 0.00 175.10 175.23 2ny4 s VAL 1004N 0.49 1.68 -0.19 2.92 1.01 0.90 -4.94 120.40 122.26 2ny4 s VAL 1004Ca -0.16 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 60.93 2ny4 s VAL 1004Cb -0.17 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 2ny4 s VAL 1004CO 0.06 0.47 0.12 -0.76 0.00 0.00 0.00 175.10 174.99 2ny4 s LEU 1005N 0.43 4.16 0.28 3.92 1.43 -1.26 -0.75 118.68 126.89 2ny4 s LEU 1005Ca -0.16 0.23 0.09 0.00 -1.03 0.00 0.00 54.13 53.26 2ny4 s LEU 1005Cb -0.17 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 2ny4 s LEU 1005CO 0.06 0.20 0.02 -0.83 0.23 0.00 0.00 176.35 176.04 2ny4 s GLY 1006N 0.22 1.73 -0.12 -3.19 0.00 0.19 -4.93 107.32 101.22 2ny4 s GLY 1006Ca 0.08 -1.71 -0.02 0.00 0.00 0.00 0.00 44.72 43.07 2ny4 s GLY 1006CO -0.01 -1.74 -0.05 0.54 0.00 0.00 0.00 173.10 171.84 2ny4 s LYS 1007N -3.70 3.30 0.07 2.90 1.02 -1.26 -1.06 119.74 121.01 2ny4 s LYS 1007Ca 0.33 -0.52 -0.35 0.00 0.02 0.00 0.00 55.97 55.45 2ny4 s LYS 1007Cb -0.05 -2.79 -0.14 0.00 -0.52 0.00 0.00 37.83 34.33 2ny4 s LYS 1007CO 0.20 0.43 1.63 1.17 -0.92 0.00 0.00 175.35 177.86 2ny4 n LYS 1008N 2.96 1.98 0.00 1.68 4.81 0.24 -1.12 118.16 128.72 2ny4 n LYS 1008Ca -0.18 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 2ny4 n LYS 1008Cb 0.53 -2.49 0.00 0.00 0.02 0.00 0.00 35.03 33.09 2ny4 n LYS 1008CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ny4 n GLY 1009N 3.58 1.72 3.99 3.14 0.00 0.84 -4.87 105.19 113.58 2ny4 n GLY 1009Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 2ny4 n GLY 1009CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ny4 s ASP 1010N -2.75 3.96 -0.00 1.61 1.11 -0.27 -4.06 116.67 116.26 2ny4 s ASP 1010Ca 0.00 -0.42 0.02 0.00 0.18 0.00 0.00 52.55 52.33 2ny4 s ASP 1010Cb 0.00 0.21 -0.03 0.00 1.07 0.00 0.00 42.92 44.17 2ny4 s ASP 1010CO 0.00 -2.14 -0.05 -0.89 1.18 0.00 0.00 175.17 173.27 2ny4 s THR 1011N -3.30 3.80 0.07 -1.27 2.01 -1.26 -0.77 115.64 114.92 2ny4 s THR 1011Ca 0.70 -0.69 0.06 0.00 0.31 0.00 0.00 61.69 62.06 2ny4 s THR 1011Cb -0.04 -2.66 -0.03 0.00 0.01 0.00 0.00 72.50 69.79 2ny4 s THR 1011CO 0.47 0.41 -0.15 0.54 -0.69 0.00 0.00 174.62 175.19 2ny4 s VAL 1012N -1.00 1.20 -0.25 3.82 0.11 -0.15 -4.92 120.40 119.20 2ny4 s VAL 1012Ca 0.17 -1.29 0.03 0.00 -2.93 0.00 0.00 61.98 57.96 2ny4 s VAL 1012Cb -0.11 -1.13 0.06 0.00 -1.53 0.00 0.00 36.38 33.67 2ny4 s VAL 1012CO 0.08 -0.16 -0.11 -0.70 -3.33 0.00 0.00 175.10 170.88 2ny4 s GLU 1013N -1.66 2.18 -0.17 1.54 2.12 -1.26 -1.00 118.70 120.45 2ny4 s GLU 1013Ca -0.00 -1.26 -0.17 0.00 0.36 0.00 0.00 54.97 53.90 2ny4 s GLU 1013Cb -0.10 -2.82 -0.04 0.00 0.26 0.00 0.00 34.13 31.44 2ny4 s GLU 1013CO 0.02 -0.55 0.42 -0.51 -0.54 0.00 0.00 175.26 174.10 2ny4 s LEU 1014N 1.16 4.21 0.17 2.70 1.43 0.46 -4.92 118.68 123.89 2ny4 s LEU 1014Ca -0.08 0.63 -0.09 0.00 -1.03 0.00 0.00 54.13 53.56 2ny4 s LEU 1014Cb -0.19 -2.57 -0.07 0.00 0.03 0.00 0.00 46.19 43.39 2ny4 s LEU 1014CO -0.06 -0.04 0.48 0.42 0.23 0.00 0.00 176.35 177.39 2ny4 s THR 1015N 1.00 5.01 -0.11 5.49 -4.23 -1.26 0.03 115.64 121.57 2ny4 s THR 1015Ca 0.21 0.40 -0.04 0.00 -1.18 0.00 0.00 61.69 61.08 2ny4 s THR 1015Cb -0.15 -3.64 0.05 0.00 1.34 0.00 0.00 72.50 70.11 2ny4 s THR 1015CO 0.08 0.05 0.22 0.00 -0.54 0.00 0.00 174.62 174.44 2ny4 s THR 1017N 2.10 1.60 0.63 0.00 2.01 -1.26 -0.05 115.64 120.67 2ny4 s THR 1017Ca -0.01 -0.77 -0.03 0.00 0.31 0.00 0.00 61.69 61.20 2ny4 s THR 1017Cb -0.12 -1.40 0.05 0.00 0.01 0.00 0.00 72.50 71.04 2ny4 s THR 1017CO -0.08 0.46 0.90 0.00 -0.69 0.00 0.00 174.62 175.21 2ny4 s ALA 1018N 0.39 3.52 0.18 7.40 0.00 -0.04 -5.00 121.76 128.20 2ny4 s ALA 1018Ca -0.14 -1.12 0.24 0.00 0.00 0.00 0.00 51.96 50.94 2ny4 s ALA 1018Cb -0.16 -2.35 0.97 0.00 0.00 0.00 0.00 23.12 21.59 2ny4 s ALA 1018CO 0.06 -1.03 1.85 0.77 0.00 0.00 0.00 175.76 177.41 2ny4 h SER 1019N -0.27 0.00 -3.28 0.00 0.02 -1.97 -3.45 113.55 104.59 2ny4 h SER 1019Ca -0.43 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.08 2ny4 h SER 1019Cb 1.31 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.70 2ny4 h SER 1019CO 0.56 0.22 -0.73 0.00 -1.14 0.00 0.00 176.83 175.75 2ny4 s GLN 1020N -3.72 1.30 -1.27 3.45 -2.07 -1.26 -5.06 119.66 111.02 2ny4 s GLN 1020Ca 0.00 -1.58 -0.12 0.00 -1.82 0.00 0.00 55.36 51.85 2ny4 s GLN 1020Cb 0.11 -1.07 0.15 0.00 -1.09 0.00 0.00 33.01 31.11 2ny4 s GLN 1020CO 0.63 0.18 1.73 1.63 -1.32 0.00 0.00 175.29 178.14 2ny4 n LYS 1021N -0.36 3.45 -3.58 9.60 5.02 -1.26 -4.10 118.16 126.93 2ny4 n LYS 1021Ca -0.08 -3.57 -0.11 0.00 -2.02 0.00 0.00 58.31 52.53 2ny4 n LYS 1021Cb 0.60 -3.03 -0.04 0.00 -0.02 0.00 0.00 35.03 32.55 2ny4 n LYS 1021CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2ny4 s LYS 1022N 1.24 1.12 -0.16 1.97 -2.85 -1.14 -4.56 119.74 115.35 2ny4 s LYS 1022Ca 0.42 -0.63 -0.28 0.00 -1.00 0.00 0.00 55.97 54.49 2ny4 s LYS 1022Cb 0.05 0.50 -0.01 0.00 -2.06 0.00 0.00 37.83 36.31 2ny4 s LYS 1022CO 0.00 -0.45 0.94 0.45 0.10 0.00 0.00 175.35 176.40 2ny4 s SER 1023N -2.74 7.09 0.37 0.03 0.15 -0.99 -3.67 113.70 113.95 2ny4 s SER 1023Ca 0.02 1.35 0.04 0.00 0.70 0.00 0.00 55.95 58.07 2ny4 s SER 1023Cb 0.01 -2.51 -0.03 0.00 -1.71 0.00 0.00 66.02 61.78 2ny4 s SER 1023CO -0.12 -0.48 0.17 0.27 1.20 0.00 0.00 173.24 174.28 2ny4 s ILE 1024N 2.34 0.42 0.06 6.45 -4.36 -1.26 -5.01 121.20 119.83 2ny4 s ILE 1024Ca 0.43 -2.00 -0.31 0.00 -0.26 0.00 0.00 60.65 58.52 2ny4 s ILE 1024Cb -0.17 -2.41 -0.07 0.00 1.25 0.00 0.00 42.46 41.06 2ny4 s ILE 1024CO 0.13 0.00 1.46 -1.58 0.24 0.00 0.00 174.94 175.19 2ny4 s GLN 1025N -3.67 4.27 0.09 0.37 0.74 -1.26 -4.95 119.66 115.26 2ny4 s GLN 1025Ca 0.30 2.10 0.02 0.00 0.05 0.00 0.00 55.36 57.82 2ny4 s GLN 1025Cb 0.03 -3.46 -0.04 0.00 1.10 0.00 0.00 33.01 30.64 2ny4 s GLN 1025CO 0.18 -0.57 -0.07 -0.59 -0.55 0.00 0.00 175.29 173.69 2ny4 s PHE 1026N 1.99 0.85 -0.17 1.67 -0.71 -1.26 -4.20 117.98 116.15 2ny4 s PHE 1026Ca 0.67 -0.82 -0.13 0.00 -1.04 0.00 0.00 56.93 55.60 2ny4 s PHE 1026Cb -0.35 -0.50 0.05 0.00 -1.21 0.00 0.00 43.02 41.01 2ny4 s PHE 1026CO 0.29 -0.13 0.44 -1.58 -1.34 0.00 0.00 175.22 172.90 2ny4 s HIS 1027N -3.14 -0.55 -0.18 3.49 2.46 -0.79 -2.61 115.29 113.97 2ny4 s HIS 1027Ca 0.07 1.26 -0.09 0.00 0.47 0.00 0.00 55.06 56.77 2ny4 s HIS 1027Cb 0.02 0.22 -0.05 0.00 -0.13 0.00 0.00 32.58 32.65 2ny4 s HIS 1027CO -0.04 -0.29 0.13 -1.58 -2.47 0.00 0.00 174.74 170.50 2ny4 s TRP 1028N 0.75 3.45 0.25 3.88 0.52 0.18 -0.63 118.94 127.34 2ny4 s TRP 1028Ca -0.04 0.37 0.04 0.00 0.02 0.00 0.00 56.10 56.49 2ny4 s TRP 1028Cb -0.05 -2.10 -0.05 0.00 -1.15 0.00 0.00 33.47 30.11 2ny4 s TRP 1028CO -0.06 0.40 0.01 0.15 0.02 0.00 0.00 176.95 177.47 2ny4 s LYS 1029N 0.01 1.41 0.27 4.98 1.02 0.16 -0.87 119.74 126.72 2ny4 s LYS 1029Ca 0.10 -1.73 0.04 0.00 0.02 0.00 0.00 55.97 54.40 2ny4 s LYS 1029Cb -0.11 -0.68 0.04 0.00 -0.52 0.00 0.00 37.83 36.57 2ny4 s LYS 1029CO -0.00 -0.11 0.36 0.27 -0.92 0.00 0.00 175.35 174.94 2ny4 n ASN 1030N -0.48 1.04 0.24 2.83 0.23 -0.76 -0.39 115.26 117.98 2ny4 n ASN 1030Ca -0.04 -1.73 0.17 0.00 -0.53 0.00 0.00 54.58 52.45 2ny4 n ASN 1030Cb 0.64 -0.19 0.80 0.00 -2.08 0.00 0.00 39.78 38.96 2ny4 n ASN 1030CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2ny4 h SER 1031N 0.06 0.00 -0.55 0.53 4.64 -1.65 -1.10 113.55 115.49 2ny4 h SER 1031Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 2ny4 h SER 1031Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2ny4 h SER 1031CO 0.19 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.74 2ny4 n ASN 1032N -2.74 4.74 -0.20 4.97 3.02 -1.26 -4.94 115.26 118.86 2ny4 n ASN 1032Ca -0.01 -2.63 -0.03 0.00 -0.03 0.00 0.00 54.58 51.89 2ny4 n ASN 1032Cb 0.16 -0.57 -0.01 0.00 -0.61 0.00 0.00 39.78 38.74 2ny4 n ASN 1032CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ny4 n GLN 1033N 0.69 -0.91 -2.29 3.52 1.13 -0.42 -4.98 117.38 114.12 2ny4 n GLN 1033Ca 0.25 0.40 -0.42 0.00 -1.94 0.00 0.00 57.00 55.29 2ny4 n GLN 1033Cb 0.94 -4.19 -0.03 0.00 0.11 0.00 0.00 30.24 27.07 2ny4 n GLN 1033CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2ny4 s ILE 1034N -1.73 3.68 0.01 5.09 -1.09 -1.26 -4.80 121.20 121.09 2ny4 s ILE 1034Ca 0.00 1.19 -0.30 0.00 -2.23 0.00 0.00 60.65 59.31 2ny4 s ILE 1034Cb 0.00 -3.76 -0.05 0.00 -1.58 0.00 0.00 42.46 37.06 2ny4 s ILE 1034CO 0.00 0.08 1.28 -0.54 -1.23 0.00 0.00 174.94 174.53 2ny4 s LYS 1035N 1.19 4.35 -0.23 2.79 1.02 -1.26 -1.82 119.74 125.78 2ny4 s LYS 1035Ca 0.62 1.82 -0.16 0.00 0.02 0.00 0.00 55.97 58.27 2ny4 s LYS 1035Cb -0.33 -3.47 -0.12 0.00 -0.52 0.00 0.00 37.83 33.38 2ny4 s LYS 1035CO 0.29 -0.43 -0.16 -0.89 -0.92 0.00 0.00 175.35 173.24 2ny4 n ILE 1036N 4.37 1.52 -3.62 2.17 2.08 -0.05 -3.43 119.36 122.40 2ny4 n ILE 1036Ca 0.11 -0.14 -0.05 0.00 0.56 0.00 0.00 62.75 63.23 2ny4 n ILE 1036Cb 0.45 -2.05 -0.05 0.00 -0.75 0.00 0.00 39.64 37.24 2ny4 n ILE 1036CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2ny4 s LEU 1037N -7.75 -0.16 0.00 1.39 0.20 -1.16 -1.38 118.68 109.82 2ny4 s LEU 1037Ca -0.32 0.18 0.00 0.00 0.69 0.00 0.00 54.13 54.68 2ny4 s LEU 1037Cb 0.09 1.36 0.00 0.00 -0.43 0.00 0.00 46.19 47.21 2ny4 s LEU 1037CO 0.49 -0.14 0.00 0.61 -0.29 0.00 0.00 176.35 177.02 2ny4 n GLY 1038N 0.67 1.63 3.46 7.98 0.00 -0.77 0.48 105.19 118.64 2ny4 n GLY 1038Ca -0.04 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.82 2ny4 n GLY 1038CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ny4 s ASN 1039N -0.52 3.57 -0.31 1.61 4.22 -1.07 -0.80 114.94 121.63 2ny4 s ASN 1039Ca 0.00 -0.92 0.02 0.00 -2.14 0.00 0.00 52.86 49.81 2ny4 s ASN 1039Cb 0.00 -0.31 0.09 0.00 1.28 0.00 0.00 41.25 42.31 2ny4 s ASN 1039CO 0.00 0.08 0.05 -1.10 -2.04 0.00 0.00 177.10 174.09 2ny4 s GLN 1040N -3.07 1.20 7.99 3.55 -1.52 0.51 -4.67 119.66 123.66 2ny4 s GLN 1040Ca 0.25 -1.42 0.00 0.00 -1.95 0.00 0.00 55.36 52.24 2ny4 s GLN 1040Cb -0.07 -2.63 0.00 0.00 -0.22 0.00 0.00 33.01 30.09 2ny4 s GLN 1040CO 0.13 -0.90 0.00 0.41 -0.25 0.00 0.00 175.29 174.67 2ny4 n GLY 1041N 4.55 4.26 1.45 3.09 0.00 -1.26 -1.70 105.19 115.57 2ny4 n GLY 1041Ca -0.01 0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.23 2ny4 n GLY 1041CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ny4 n SER 1042N 8.64 4.26 -4.73 1.61 3.41 -1.26 -4.93 113.62 120.62 2ny4 n SER 1042Ca 0.00 -2.15 -0.32 0.00 -0.26 0.00 0.00 58.87 56.14 2ny4 n SER 1042Cb 0.00 -0.52 -0.08 0.00 -0.26 0.00 0.00 64.21 63.35 2ny4 n SER 1042CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2ny4 s PHE 1043N -1.28 3.16 0.07 7.33 0.08 -0.69 -5.11 117.98 121.54 2ny4 s PHE 1043Ca 0.50 0.12 -0.24 0.00 0.12 0.00 0.00 56.93 57.44 2ny4 s PHE 1043Cb 0.28 -1.68 -0.06 0.00 -0.57 0.00 0.00 43.02 40.99 2ny4 s PHE 1043CO 0.31 0.50 0.73 -1.17 -0.10 0.00 0.00 175.22 175.49 2ny4 s LEU 1044N -1.75 4.48 0.10 -0.37 2.96 -1.26 -0.36 118.68 122.48 2ny4 s LEU 1044Ca 0.22 1.44 0.08 0.00 -0.22 0.00 0.00 54.13 55.65 2ny4 s LEU 1044Cb -0.12 -3.18 -0.04 0.00 0.50 0.00 0.00 46.19 43.36 2ny4 s LEU 1044CO 0.13 0.09 -0.17 0.42 -1.32 0.00 0.00 176.35 175.50 2ny4 s THR 1045N -0.38 2.91 -0.07 3.68 -4.23 0.02 -4.87 115.64 112.71 2ny4 s THR 1045Ca 0.36 -1.41 0.03 0.00 -1.18 0.00 0.00 61.69 59.49 2ny4 s THR 1045Cb -0.21 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.32 2ny4 s THR 1045CO 0.23 0.14 -0.17 -0.54 -0.54 0.00 0.00 174.62 173.74 2ny4 s LYS 1046N -2.03 2.05 0.88 3.99 1.02 -1.26 -1.85 119.74 122.55 2ny4 s LYS 1046Ca 0.18 -0.59 -0.11 0.00 0.02 0.00 0.00 55.97 55.46 2ny4 s LYS 1046Cb -0.11 -1.67 0.17 0.00 -0.52 0.00 0.00 37.83 35.70 2ny4 s LYS 1046CO 0.10 0.14 1.21 0.20 -0.92 0.00 0.00 175.35 176.08 2ny4 s GLY 1047N 0.37 1.76 -0.09 -3.33 0.00 -0.48 -4.93 107.32 100.63 2ny4 s GLY 1047Ca -0.12 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.28 2ny4 s GLY 1047CO 0.04 -0.63 1.71 -1.55 0.00 0.00 0.00 173.10 172.67 2ny4 n PRO 1048N -3.45 1.24 -2.50 2.90 -0.04 -1.22 -4.68 135.00 127.24 2ny4 n PRO 1048Ca 0.15 -0.50 -0.26 0.00 -0.04 0.00 0.00 63.50 62.85 2ny4 n PRO 1048Cb 0.60 -1.20 0.03 0.00 -0.04 0.00 0.00 33.50 32.89 2ny4 n PRO 1048CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2ny4 s SER 1049N 1.14 5.56 0.00 3.54 1.04 -1.24 -4.97 113.70 118.77 2ny4 s SER 1049Ca 0.10 0.58 0.13 0.00 0.48 0.00 0.00 55.95 57.23 2ny4 s SER 1049Cb 0.08 -1.59 0.54 0.00 0.10 0.00 0.00 66.02 65.15 2ny4 s SER 1049CO 0.00 -1.04 1.40 0.29 0.98 0.00 0.00 173.24 174.87 2ny4 n LYS 1050N -2.50 0.01 0.00 4.02 5.02 -1.26 -2.14 118.16 121.31 2ny4 n LYS 1050Ca 0.04 0.28 0.12 0.00 -2.02 0.00 0.00 58.31 56.73 2ny4 n LYS 1050Cb 0.58 -1.50 0.29 0.00 -0.02 0.00 0.00 35.03 34.38 2ny4 n LYS 1050CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2ny4 n LEU 1051N -1.49 0.48 -0.36 -0.35 4.32 -1.26 -4.66 117.00 113.68 2ny4 n LEU 1051Ca 0.03 0.03 -0.09 0.00 -0.02 0.00 0.00 56.01 55.96 2ny4 n LEU 1051Cb 0.14 -0.26 -0.08 0.00 -1.62 0.00 0.00 43.42 41.60 2ny4 n LEU 1051CO 0.12 0.12 0.42 -3.20 -1.22 0.00 0.00 177.39 173.63 2ny4 n ASN 1052N -1.46 -0.89 0.00 -1.43 2.85 -0.91 0.00 115.26 113.42 2ny4 n ASN 1052Ca 0.06 1.54 0.07 0.00 -0.11 0.00 0.00 54.58 56.14 2ny4 n ASN 1052Cb 0.34 -0.21 0.33 0.00 1.24 0.00 0.00 39.78 41.47 2ny4 n ASN 1052CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 2ny4 n ASP 1053N -5.10 0.00 0.00 1.20 3.85 -1.26 -2.92 116.55 112.32 2ny4 n ASP 1053Ca 0.02 0.47 0.00 0.00 -0.71 0.00 0.00 54.79 54.57 2ny4 n ASP 1053Cb 0.24 -0.48 0.00 0.00 -1.35 0.00 0.00 41.12 39.52 2ny4 n ASP 1053CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2ny4 n ARG 1054N -1.48 0.43 -4.10 0.11 1.74 0.10 -5.03 116.66 108.43 2ny4 n ARG 1054Ca 0.04 -0.83 -0.35 0.00 -0.77 0.00 0.00 57.85 55.95 2ny4 n ARG 1054Cb 0.17 -0.97 -0.07 0.00 -1.02 0.00 0.00 32.46 30.57 2ny4 n ARG 1054CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ny4 s ALA 1055N -0.34 3.61 0.27 7.54 0.00 -0.28 -1.21 121.76 131.35 2ny4 s ALA 1055Ca 0.00 -0.78 -0.18 0.00 0.00 0.00 0.00 51.96 51.00 2ny4 s ALA 1055Cb 0.00 -1.68 0.01 0.00 0.00 0.00 0.00 23.12 21.45 2ny4 s ALA 1055CO 0.00 0.65 0.63 0.34 0.00 0.00 0.00 175.76 177.38 2ny4 s ASP 1056N -1.33 -0.19 0.00 0.00 -1.08 -0.05 -4.97 116.67 109.05 2ny4 s ASP 1056Ca 0.18 -0.74 0.00 0.00 -0.52 0.00 0.00 52.55 51.47 2ny4 s ASP 1056Cb -0.12 0.68 0.00 0.00 -1.46 0.00 0.00 42.92 42.02 2ny4 s ASP 1056CO 0.08 -1.28 0.00 -0.24 0.52 0.00 0.00 175.17 174.25 2ny4 n SER 1057N -0.46 1.98 -3.77 -0.34 2.88 -1.26 -0.15 113.62 112.49 2ny4 n SER 1057Ca -0.03 -0.68 -0.30 0.00 -1.33 0.00 0.00 58.87 56.53 2ny4 n SER 1057Cb 0.60 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.92 2ny4 n SER 1057CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2ny4 s ARG 1058N -1.03 1.33 0.62 -1.46 3.52 -1.26 -4.87 118.95 115.79 2ny4 s ARG 1058Ca 0.00 -1.97 0.39 0.00 -0.13 0.00 0.00 55.73 54.02 2ny4 s ARG 1058Cb 0.00 -2.50 1.98 0.00 -1.56 0.00 0.00 34.95 32.86 2ny4 s ARG 1058CO 0.00 -1.11 2.21 0.07 -0.81 0.00 0.00 175.30 175.66 2ny4 h ARG 1059N 6.94 0.00 0.00 5.12 0.11 -1.97 -0.55 114.38 124.03 2ny4 h ARG 1059Ca -0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.04 2ny4 h ARG 1059Cb 0.94 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.02 2ny4 h ARG 1059CO 0.52 0.01 0.00 -1.13 0.10 0.00 0.00 179.97 179.46 2ny4 n SER 1060N -3.14 0.00 -0.03 0.08 3.41 -1.26 -2.10 113.62 110.58 2ny4 n SER 1060Ca -0.02 0.19 0.06 0.00 -0.26 0.00 0.00 58.87 58.84 2ny4 n SER 1060Cb 0.17 -0.33 -0.06 0.00 -0.26 0.00 0.00 64.21 63.72 2ny4 n SER 1060CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2ny4 n LEU 1061N -1.33 0.65 -0.36 1.04 4.77 -0.22 -4.62 117.00 116.93 2ny4 n LEU 1061Ca 0.05 -0.52 -0.02 0.00 -0.03 0.00 0.00 56.01 55.49 2ny4 n LEU 1061Cb 0.11 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.33 2ny4 n LEU 1061CO 0.10 0.16 1.29 -0.50 -1.33 0.00 0.00 177.39 177.11 2ny4 h TRP 1062N 0.13 1.23 0.00 -1.77 4.06 -1.39 -0.56 115.95 117.65 2ny4 h TRP 1062Ca 0.00 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.98 2ny4 h TRP 1062Cb 0.30 -0.42 0.00 0.00 -1.00 0.00 0.00 29.16 28.04 2ny4 h TRP 1062CO 0.00 0.77 0.00 -0.25 -3.56 0.00 0.00 178.44 175.40 2ny4 n ASP 1063N -4.39 0.13 -1.03 -3.49 8.00 -1.26 -1.44 116.55 113.07 2ny4 n ASP 1063Ca 0.12 0.53 0.11 0.00 0.71 0.00 0.00 54.79 56.26 2ny4 n ASP 1063Cb 0.01 -0.56 0.18 0.00 -0.02 0.00 0.00 41.12 40.73 2ny4 n ASP 1063CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ny4 n GLN 1064N -1.64 2.32 -1.71 -1.24 3.00 -0.27 -2.91 117.38 114.93 2ny4 n GLN 1064Ca 0.03 -2.12 -0.04 0.00 -0.01 0.00 0.00 57.00 54.86 2ny4 n GLN 1064Cb 0.18 -1.46 -0.01 0.00 0.00 0.00 0.00 30.24 28.95 2ny4 n GLN 1064CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ny4 n GLY 1065N 1.33 0.39 3.22 1.08 0.00 -0.52 -4.44 105.19 106.25 2ny4 n GLY 1065Ca 0.17 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 2ny4 n GLY 1065CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ny4 s ASN 1066N -2.87 3.38 -0.53 1.61 -0.87 -0.86 -0.87 114.94 113.95 2ny4 s ASN 1066Ca 0.00 -0.54 0.07 0.00 -1.57 0.00 0.00 52.86 50.82 2ny4 s ASN 1066Cb 0.00 -1.50 0.25 0.00 -0.02 0.00 0.00 41.25 39.98 2ny4 s ASN 1066CO 0.00 0.08 0.65 0.49 -2.57 0.00 0.00 177.10 175.76 2ny4 n PHE 1067N 4.06 1.86 -2.41 2.20 3.01 0.93 -3.23 117.46 123.87 2ny4 n PHE 1067Ca -0.19 -3.89 -0.34 0.00 1.01 0.00 0.00 57.45 54.04 2ny4 n PHE 1067Cb 0.52 -0.46 -0.02 0.00 -0.01 0.00 0.00 39.48 39.50 2ny4 n PHE 1067CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2ny4 s PRO 1068N -1.94 3.68 -0.42 -1.08 0.04 -1.26 -4.12 135.00 129.89 2ny4 s PRO 1068Ca 0.38 1.32 -0.11 0.00 0.04 0.00 0.00 61.00 62.63 2ny4 s PRO 1068Cb 0.16 -2.08 0.07 0.00 0.04 0.00 0.00 34.50 32.69 2ny4 s PRO 1068CO -0.06 -0.53 0.28 -1.17 0.04 0.00 0.00 177.00 175.56 2ny4 s LEU 1069N -3.75 5.16 -0.23 -3.56 0.20 0.11 -4.26 118.68 112.34 2ny4 s LEU 1069Ca 0.66 -1.36 -0.13 0.00 0.69 0.00 0.00 54.13 53.99 2ny4 s LEU 1069Cb -0.16 -2.04 -0.04 0.00 -0.43 0.00 0.00 46.19 43.52 2ny4 s LEU 1069CO 0.24 -0.53 0.29 -0.63 -0.29 0.00 0.00 176.35 175.44 2ny4 s ILE 1070N 1.50 5.26 -0.19 6.68 1.09 0.78 -0.40 121.20 135.93 2ny4 s ILE 1070Ca 0.03 0.45 0.01 0.00 -1.10 0.00 0.00 60.65 60.05 2ny4 s ILE 1070Cb -0.22 -3.63 0.03 0.00 -1.06 0.00 0.00 42.46 37.57 2ny4 s ILE 1070CO 0.04 0.27 -0.18 -0.63 -0.10 0.00 0.00 174.94 174.34 2ny4 s ILE 1071N 1.38 2.04 0.40 2.92 1.01 -0.17 -0.88 121.20 127.90 2ny4 s ILE 1071Ca 0.13 -1.01 0.07 0.00 0.00 0.00 0.00 60.65 59.84 2ny4 s ILE 1071Cb -0.15 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.44 2ny4 s ILE 1071CO 0.07 0.46 0.55 -1.59 0.00 0.00 0.00 174.94 174.43 2ny4 s LYS 1072N 1.28 2.93 -1.46 2.79 -2.85 -0.35 -0.98 119.74 121.11 2ny4 s LYS 1072Ca 0.03 -1.09 -0.02 0.00 -1.00 0.00 0.00 55.97 53.90 2ny4 s LYS 1072Cb -0.14 -2.76 0.01 0.00 -2.06 0.00 0.00 37.83 32.89 2ny4 s LYS 1072CO -0.12 -0.17 0.36 -1.71 0.10 0.00 0.00 175.35 173.81 2ny4 n ASN 1073N -1.81 -0.29 -4.58 0.03 4.05 -0.95 -4.76 115.26 106.95 2ny4 n ASN 1073Ca 0.05 -1.06 -0.49 0.00 0.45 0.00 0.00 54.58 53.52 2ny4 n ASN 1073Cb 0.59 -2.72 -0.04 0.00 1.23 0.00 0.00 39.78 38.84 2ny4 n ASN 1073CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2ny4 n LEU 1074N -4.44 1.51 -4.70 1.20 4.77 0.05 -4.47 117.00 110.93 2ny4 n LEU 1074Ca -0.28 1.14 -0.28 0.00 -0.03 0.00 0.00 56.01 56.56 2ny4 n LEU 1074Cb 0.67 -1.22 -0.07 0.00 -2.33 0.00 0.00 43.42 40.47 2ny4 n LEU 1074CO 0.78 -1.32 -0.31 -0.54 -1.33 0.00 0.00 177.39 174.67 2ny4 s LYS 1075N -0.43 2.56 0.28 3.23 1.02 -1.26 -0.11 119.74 125.02 2ny4 s LYS 1075Ca 0.73 -0.96 0.01 0.00 0.02 0.00 0.00 55.97 55.77 2ny4 s LYS 1075Cb -0.85 -2.48 0.57 0.00 -0.52 0.00 0.00 37.83 34.55 2ny4 s LYS 1075CO 0.53 0.49 1.81 0.82 -0.92 0.00 0.00 175.35 178.08 2ny4 h ILE 1076N 2.53 0.84 0.00 2.17 1.08 -1.95 -0.96 117.51 121.23 2ny4 h ILE 1076Ca -0.47 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 63.70 2ny4 h ILE 1076Cb 1.19 -0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.84 2ny4 h ILE 1076CO 0.60 0.16 0.00 -1.84 -0.69 0.00 0.00 178.15 176.37 2ny4 n GLU 1077N -4.70 0.38 0.13 2.37 0.00 -1.26 -1.51 120.64 116.04 2ny4 n GLU 1077Ca 0.19 0.07 0.12 0.00 0.00 0.00 0.00 57.16 57.55 2ny4 n GLU 1077Cb 0.40 -1.50 0.47 0.00 0.00 0.00 0.00 31.44 30.82 2ny4 n GLU 1077CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2ny4 n ASP 1078N -1.21 0.73 -4.68 -1.84 8.00 -0.36 -4.78 116.55 112.40 2ny4 n ASP 1078Ca 0.11 0.65 -0.44 0.00 0.71 0.00 0.00 54.79 55.81 2ny4 n ASP 1078Cb 0.14 -0.81 -0.04 0.00 -0.02 0.00 0.00 41.12 40.39 2ny4 n ASP 1078CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2ny4 n SER 1079N -2.27 3.78 -3.67 -2.24 7.64 -0.57 -4.90 113.62 111.40 2ny4 n SER 1079Ca 0.03 0.99 0.02 0.00 1.01 0.00 0.00 58.87 60.92 2ny4 n SER 1079Cb 0.29 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.00 2ny4 n SER 1079CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2ny4 s ASP 1080N 2.94 -0.03 -0.18 6.43 -1.08 -0.79 -5.01 116.67 118.96 2ny4 s ASP 1080Ca 0.85 -0.16 -0.14 0.00 -0.52 0.00 0.00 52.55 52.57 2ny4 s ASP 1080Cb -0.55 0.16 -0.04 0.00 -1.46 0.00 0.00 42.92 41.02 2ny4 s ASP 1080CO 0.41 -0.30 0.32 -0.89 0.52 0.00 0.00 175.17 175.23 2ny4 s THR 1081N -2.28 5.27 -0.02 1.71 2.01 -1.26 -0.48 115.64 120.60 2ny4 s THR 1081Ca 0.19 0.59 0.04 0.00 0.31 0.00 0.00 61.69 62.81 2ny4 s THR 1081Cb 0.03 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 2ny4 s THR 1081CO -0.03 0.34 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.82 2ny4 s TYR 1082N 0.76 2.78 -0.11 4.92 1.51 0.79 -1.60 117.35 126.40 2ny4 s TYR 1082Ca 0.17 -0.11 0.02 0.00 -1.01 0.00 0.00 57.07 56.14 2ny4 s TYR 1082Cb -0.14 -1.60 0.01 0.00 -0.11 0.00 0.00 41.96 40.12 2ny4 s TYR 1082CO 0.05 0.29 -0.16 0.42 -1.11 0.00 0.00 175.55 175.04 2ny4 s ILE 1083N -0.88 1.55 -0.25 2.71 1.01 0.48 -0.87 121.20 124.95 2ny4 s ILE 1083Ca 0.14 -0.68 -0.10 0.00 0.00 0.00 0.00 60.65 60.01 2ny4 s ILE 1083Cb -0.11 -1.41 -0.05 0.00 0.01 0.00 0.00 42.46 40.90 2ny4 s ILE 1083CO 0.04 0.45 0.15 0.00 0.00 0.00 0.00 174.94 175.59 2ny4 s GLU 1085N 1.40 3.44 -0.12 0.00 2.02 0.19 -0.79 118.70 124.85 2ny4 s GLU 1085Ca 0.07 -0.65 -0.10 0.00 0.02 0.00 0.00 54.97 54.30 2ny4 s GLU 1085Cb -0.15 -3.61 0.04 0.00 0.10 0.00 0.00 34.13 30.51 2ny4 s GLU 1085CO 0.07 -0.39 0.31 0.54 0.02 0.00 0.00 175.26 175.81 2ny4 s VAL 1086N 1.65 -0.01 -1.29 2.63 0.11 0.09 -1.88 120.40 121.69 2ny4 s VAL 1086Ca 0.05 0.03 -0.26 0.00 -2.93 0.00 0.00 61.98 58.87 2ny4 s VAL 1086Cb -0.17 -0.44 0.04 0.00 -1.53 0.00 0.00 36.38 34.27 2ny4 s VAL 1086CO 0.07 0.01 0.50 -1.84 -3.33 0.00 0.00 175.10 170.51 2ny4 n GLU 1087N 3.22 -0.38 -1.50 1.54 0.28 -1.26 -0.83 120.64 121.71 2ny4 n GLU 1087Ca -0.16 0.06 -0.17 0.00 -0.16 0.00 0.00 57.16 56.73 2ny4 n GLU 1087Cb 0.57 -2.70 -0.07 0.00 1.43 0.00 0.00 31.44 30.67 2ny4 n GLU 1087CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2ny4 n ASP 1088N -2.29 -5.56 -4.15 -1.84 4.64 -1.26 -4.95 116.55 101.14 2ny4 n ASP 1088Ca -0.17 0.43 -0.17 0.00 -1.38 0.00 0.00 54.79 53.50 2ny4 n ASP 1088Cb 0.59 -4.58 -0.12 0.00 -1.04 0.00 0.00 41.12 35.98 2ny4 n ASP 1088CO 0.00 0.00 0.00 -1.10 -0.82 0.00 0.00 177.20 175.28 2ny4 s GLN 1089N -3.45 0.77 -0.12 -0.67 -0.21 -0.01 -5.14 119.66 110.82 2ny4 s GLN 1089Ca 0.00 -0.92 0.02 0.00 0.02 0.00 0.00 55.36 54.47 2ny4 s GLN 1089Cb 0.00 -0.74 -0.01 0.00 1.00 0.00 0.00 33.01 33.26 2ny4 s GLN 1089CO 0.00 0.16 -0.18 0.15 -2.12 0.00 0.00 175.29 173.30 2ny4 s LYS 1090N -1.71 3.22 -0.20 2.91 1.02 -1.26 -0.74 119.74 122.98 2ny4 s LYS 1090Ca -0.03 -0.78 -0.02 0.00 0.02 0.00 0.00 55.97 55.16 2ny4 s LYS 1090Cb -0.10 -2.49 -0.00 0.00 -0.52 0.00 0.00 37.83 34.72 2ny4 s LYS 1090CO 0.02 0.17 -0.09 -1.21 -0.92 0.00 0.00 175.35 173.32 2ny4 s GLU 1091N 0.41 3.30 -0.12 1.68 2.02 0.03 -4.96 118.70 121.07 2ny4 s GLU 1091Ca -0.13 -0.67 -0.02 0.00 0.02 0.00 0.00 54.97 54.16 2ny4 s GLU 1091Cb -0.17 -2.87 -0.03 0.00 0.10 0.00 0.00 34.13 31.16 2ny4 s GLU 1091CO 0.06 -0.14 -0.04 -2.00 0.02 0.00 0.00 175.26 173.16 2ny4 s GLU 1092N 1.29 3.36 -0.02 1.61 2.12 -1.26 -0.85 118.70 124.94 2ny4 s GLU 1092Ca 0.03 -0.51 0.00 0.00 0.36 0.00 0.00 54.97 54.86 2ny4 s GLU 1092Cb -0.14 -2.82 0.02 0.00 0.26 0.00 0.00 34.13 31.45 2ny4 s GLU 1092CO -0.04 0.41 0.01 0.54 -0.54 0.00 0.00 175.26 175.64 2ny4 s VAL 1093N -0.10 0.10 -0.26 3.70 0.11 -0.04 -3.53 120.40 120.37 2ny4 s VAL 1093Ca 0.02 0.10 -0.18 0.00 -2.93 0.00 0.00 61.98 59.00 2ny4 s VAL 1093Cb -0.13 -0.20 -0.03 0.00 -1.53 0.00 0.00 36.38 34.50 2ny4 s VAL 1093CO 0.02 0.11 0.50 -1.58 -3.33 0.00 0.00 175.10 170.83 2ny4 s GLN 1094N 0.90 4.07 -0.21 1.54 0.74 0.19 -0.15 119.66 126.73 2ny4 s GLN 1094Ca -0.08 0.29 -0.11 0.00 0.05 0.00 0.00 55.36 55.51 2ny4 s GLN 1094Cb -0.12 -3.65 -0.05 0.00 1.10 0.00 0.00 33.01 30.29 2ny4 s GLN 1094CO -0.02 -0.33 0.18 -1.17 -0.55 0.00 0.00 175.29 173.39 2ny4 s LEU 1095N 2.25 4.17 -0.19 3.68 2.96 0.37 -0.07 118.68 131.86 2ny4 s LEU 1095Ca 0.20 0.23 0.01 0.00 -0.22 0.00 0.00 54.13 54.36 2ny4 s LEU 1095Cb -0.16 -2.15 0.03 0.00 0.50 0.00 0.00 46.19 44.41 2ny4 s LEU 1095CO 0.09 0.11 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.29 2ny4 s LEU 1096N 0.70 2.29 -0.19 -0.68 2.01 0.07 -1.89 118.68 121.00 2ny4 s LEU 1096Ca 0.09 -0.76 -0.07 0.00 0.01 0.00 0.00 54.13 53.40 2ny4 s LEU 1096Cb -0.12 -1.46 -0.04 0.00 0.01 0.00 0.00 46.19 44.58 2ny4 s LEU 1096CO 0.02 -0.04 0.06 -0.69 1.01 0.00 0.00 176.35 176.71 2ny4 s VAL 1097N 1.28 4.71 0.18 -1.59 1.01 -1.26 0.54 120.40 125.27 2ny4 s VAL 1097Ca 0.03 -0.06 0.11 0.00 0.00 0.00 0.00 61.98 62.06 2ny4 s VAL 1097Cb -0.14 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 2ny4 s VAL 1097CO -0.11 0.45 -0.23 -0.36 0.00 0.00 0.00 175.10 174.84 2ny4 s PHE 1098N 0.51 2.20 0.03 5.22 0.08 -0.22 -4.05 117.98 121.74 2ny4 s PHE 1098Ca 0.03 -0.38 0.03 0.00 0.12 0.00 0.00 56.93 56.73 2ny4 s PHE 1098Cb -0.13 -1.10 -0.02 0.00 -0.57 0.00 0.00 43.02 41.21 2ny4 s PHE 1098CO 0.01 0.46 -0.09 0.20 -0.10 0.00 0.00 175.22 175.70 2ny4 s GLY 1099N -2.63 0.50 -0.07 4.36 0.00 -0.03 0.82 107.32 110.26 2ny4 s GLY 1099Ca 0.19 -0.62 -0.02 0.00 0.00 0.00 0.00 44.72 44.28 2ny4 s GLY 1099CO 0.09 -0.62 0.04 -2.27 0.00 0.00 0.00 173.10 170.34 2ny4 s LEU 1100N -1.02 0.41 0.08 0.66 2.96 -1.26 0.14 118.68 120.64 2ny4 s LEU 1100Ca -0.03 -0.10 0.07 0.00 -0.22 0.00 0.00 54.13 53.84 2ny4 s LEU 1100Cb -0.07 -0.30 -0.03 0.00 0.50 0.00 0.00 46.19 46.29 2ny4 s LEU 1100CO 0.00 -0.24 -0.18 0.42 -1.32 0.00 0.00 176.35 175.03 2ny4 s THR 1101N 2.07 1.48 0.18 3.68 -4.23 -0.78 -4.96 115.64 113.07 2ny4 s THR 1101Ca 0.04 -1.38 -0.21 0.00 -1.18 0.00 0.00 61.69 58.96 2ny4 s THR 1101Cb -0.13 -1.35 -0.08 0.00 1.34 0.00 0.00 72.50 72.28 2ny4 s THR 1101CO -0.05 -0.07 0.70 0.00 -0.54 0.00 0.00 174.62 174.67 2ny4 s ALA 1102N -1.12 3.46 -0.60 3.99 0.00 -1.26 -0.67 121.76 125.56 2ny4 s ALA 1102Ca 0.04 0.19 0.19 0.00 0.00 0.00 0.00 51.96 52.37 2ny4 s ALA 1102Cb -0.10 -2.81 0.84 0.00 0.00 0.00 0.00 23.12 21.05 2ny4 s ALA 1102CO 0.03 0.34 1.58 0.09 0.00 0.00 0.00 175.76 177.79 2ny4 n ASN 1103N 1.15 0.43 -4.26 0.00 5.03 0.02 -4.52 115.26 113.11 2ny4 n ASN 1103Ca -0.05 0.63 -0.32 0.00 0.87 0.00 0.00 54.58 55.71 2ny4 n ASN 1103Cb 0.50 -0.71 -0.16 0.00 -1.02 0.00 0.00 39.78 38.39 2ny4 n ASN 1103CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2ny4 s SER 1104N -3.80 3.12 0.00 6.41 0.15 -1.26 -4.98 113.70 113.33 2ny4 s SER 1104Ca 0.03 -0.51 0.23 0.00 0.70 0.00 0.00 55.95 56.40 2ny4 s SER 1104Cb 0.08 -1.02 0.15 0.00 -1.71 0.00 0.00 66.02 63.52 2ny4 s SER 1104CO 0.29 0.22 1.17 0.47 1.20 0.00 0.00 173.24 176.59 2ny4 n ASP 1105N 3.11 1.29 -4.98 5.45 8.00 -1.26 -4.99 116.55 123.17 2ny4 n ASP 1105Ca -0.18 -1.05 -0.20 0.00 0.71 0.00 0.00 54.79 54.07 2ny4 n ASP 1105Cb 0.52 0.54 -0.01 0.00 -0.02 0.00 0.00 41.12 42.15 2ny4 n ASP 1105CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2ny4 s THR 1106N -2.72 4.78 0.40 -3.53 -1.32 -1.26 -5.07 115.64 106.93 2ny4 s THR 1106Ca 0.15 -0.98 -0.27 0.00 -1.21 0.00 0.00 61.69 59.38 2ny4 s THR 1106Cb 0.18 -3.68 -0.09 0.00 -1.51 0.00 0.00 72.50 67.39 2ny4 s THR 1106CO 0.67 -0.26 1.41 -1.00 -2.21 0.00 0.00 174.62 173.23 2ny4 s HIS 1107N -2.06 2.64 0.26 9.09 3.76 -1.26 -4.82 115.29 122.89 2ny4 s HIS 1107Ca 0.38 1.28 0.08 0.00 -0.15 0.00 0.00 55.06 56.65 2ny4 s HIS 1107Cb -0.09 -3.88 -0.04 0.00 1.11 0.00 0.00 32.58 29.68 2ny4 s HIS 1107CO 0.30 -2.66 0.14 -0.51 -0.85 0.00 0.00 174.74 171.16 2ny4 s LEU 1108N -2.35 3.61 0.23 0.89 1.43 0.58 -4.97 118.68 118.10 2ny4 s LEU 1108Ca 0.56 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 2ny4 s LEU 1108Cb -0.43 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 43.61 2ny4 s LEU 1108CO 0.57 -0.04 0.41 -0.76 0.23 0.00 0.00 176.35 176.76 2ny4 s LEU 1109N -3.79 4.21 0.36 1.79 1.43 -1.26 -0.92 118.68 120.49 2ny4 s LEU 1109Ca 0.33 0.36 -0.28 0.00 -1.03 0.00 0.00 54.13 53.50 2ny4 s LEU 1109Cb -0.07 -3.14 -0.11 0.00 0.03 0.00 0.00 46.19 42.89 2ny4 s LEU 1109CO 0.23 -0.08 1.45 0.00 0.23 0.00 0.00 176.35 178.19 2ny4 n GLN 1110N -0.92 2.55 0.00 1.70 6.02 -1.26 -1.74 117.38 123.73 2ny4 n GLN 1110Ca -0.05 0.89 0.00 0.00 -0.01 0.00 0.00 57.00 57.83 2ny4 n GLN 1110Cb 0.55 -2.60 0.00 0.00 1.02 0.00 0.00 30.24 29.21 2ny4 n GLN 1110CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ny4 n GLY 1111N 0.72 2.36 3.91 1.08 0.00 0.24 -4.91 105.19 108.60 2ny4 n GLY 1111Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 2ny4 n GLY 1111CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ny4 s GLN 1112N -0.35 3.19 0.29 1.61 -0.21 -0.71 -4.40 119.66 119.07 2ny4 s GLN 1112Ca 0.00 0.17 -0.06 0.00 0.02 0.00 0.00 55.36 55.49 2ny4 s GLN 1112Cb 0.00 -2.27 -0.05 0.00 1.00 0.00 0.00 33.01 31.69 2ny4 s GLN 1112CO 0.00 -0.55 0.57 -1.12 -2.12 0.00 0.00 175.29 172.07 2ny4 s SER 1113N -4.23 6.46 -0.07 5.90 0.01 -1.20 -0.40 113.70 120.16 2ny4 s SER 1113Ca 0.52 0.75 0.02 0.00 1.31 0.00 0.00 55.95 58.55 2ny4 s SER 1113Cb -0.11 -2.16 0.02 0.00 0.21 0.00 0.00 66.02 63.98 2ny4 s SER 1113CO 0.46 -0.20 -0.11 -0.22 0.41 0.00 0.00 173.24 173.58 2ny4 s LEU 1114N -3.52 1.57 -0.14 2.44 2.96 -0.43 -4.95 118.68 116.61 2ny4 s LEU 1114Ca 0.45 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 54.07 2ny4 s LEU 1114Cb -0.11 -0.82 0.02 0.00 0.50 0.00 0.00 46.19 45.78 2ny4 s LEU 1114CO 0.29 0.01 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.27 2ny4 s THR 1115N 0.82 1.76 -0.12 3.68 2.01 -1.26 -0.19 115.64 122.34 2ny4 s THR 1115Ca -0.12 -0.78 -0.04 0.00 0.31 0.00 0.00 61.69 61.06 2ny4 s THR 1115Cb -0.15 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 2ny4 s THR 1115CO 0.02 0.49 0.04 -0.76 -0.69 0.00 0.00 174.62 173.72 2ny4 s LEU 1116N 1.09 3.77 -0.15 4.42 1.43 0.21 -0.80 118.68 128.65 2ny4 s LEU 1116Ca -0.02 0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.27 2ny4 s LEU 1116Cb -0.14 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.19 2ny4 s LEU 1116CO -0.05 0.32 -0.21 -0.89 0.23 0.00 0.00 176.35 175.75 2ny4 s THR 1117N -0.54 2.11 -0.31 5.49 2.01 0.16 -0.75 115.64 123.81 2ny4 s THR 1117Ca 0.10 -0.95 -0.20 0.00 0.31 0.00 0.00 61.69 60.95 2ny4 s THR 1117Cb -0.12 -1.86 -0.01 0.00 0.01 0.00 0.00 72.50 70.52 2ny4 s THR 1117CO 0.02 0.54 0.63 -0.22 -0.69 0.00 0.00 174.62 174.90 2ny4 s LEU 1118N 0.97 4.16 -0.20 4.42 2.96 0.24 -1.87 118.68 129.35 2ny4 s LEU 1118Ca -0.03 0.40 -0.26 0.00 -0.22 0.00 0.00 54.13 54.02 2ny4 s LEU 1118Cb -0.15 -2.81 -0.01 0.00 0.50 0.00 0.00 46.19 43.73 2ny4 s LEU 1118CO -0.05 -0.49 0.86 -1.61 -1.32 0.00 0.00 176.35 173.74 2ny4 s GLU 1119N 2.61 4.26 0.07 1.98 2.02 0.37 -4.89 118.70 125.12 2ny4 s GLU 1119Ca 0.25 1.04 0.02 0.00 0.02 0.00 0.00 54.97 56.31 2ny4 s GLU 1119Cb -0.15 -3.60 -0.03 0.00 0.10 0.00 0.00 34.13 30.45 2ny4 s GLU 1119CO 0.12 -0.43 -0.08 -1.54 0.02 0.00 0.00 175.26 173.36 2ny4 s SER 1120N 1.22 1.04 0.56 -0.19 1.04 -1.26 -0.85 113.70 115.25 2ny4 s SER 1120Ca 0.38 -0.74 -0.17 0.00 0.48 0.00 0.00 55.95 55.90 2ny4 s SER 1120Cb -0.16 0.05 -0.05 0.00 0.10 0.00 0.00 66.02 65.96 2ny4 s SER 1120CO 0.10 -0.30 1.06 -2.16 0.98 0.00 0.00 173.24 172.92 2ny4 s PRO 1121N -2.51 3.44 0.23 4.02 0.04 -1.26 -4.97 135.00 133.99 2ny4 s PRO 1121Ca -0.00 1.30 -0.31 0.00 0.04 0.00 0.00 61.00 62.02 2ny4 s PRO 1121Cb -0.04 -2.04 -0.14 0.00 0.04 0.00 0.00 34.50 32.32 2ny4 s PRO 1121CO -0.01 -0.72 1.40 -2.30 0.04 0.00 0.00 177.00 175.41 2ny4 n PRO 1122N -1.65 1.99 -0.32 0.56 -0.02 -1.26 -2.65 135.00 131.64 2ny4 n PRO 1122Ca 0.09 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 2ny4 n PRO 1122Cb 0.52 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 2ny4 n PRO 1122CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ny4 n GLY 1123N 2.22 0.92 3.78 -1.23 0.00 -1.26 -5.04 105.19 104.58 2ny4 n GLY 1123Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 2ny4 n GLY 1123CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ny4 s SER 1124N -2.98 6.01 -0.58 1.61 1.04 -1.08 -5.06 113.70 112.66 2ny4 s SER 1124Ca 0.00 0.31 0.04 0.00 0.48 0.00 0.00 55.95 56.78 2ny4 s SER 1124Cb 0.00 -1.94 0.16 0.00 0.10 0.00 0.00 66.02 64.35 2ny4 s SER 1124CO 0.00 0.33 0.41 -0.44 0.98 0.00 0.00 173.24 174.52 2ny4 s SER 1125N -0.59 3.78 0.48 7.02 0.01 -1.26 -4.89 113.70 118.25 2ny4 s SER 1125Ca 0.12 -3.44 -0.09 0.00 1.31 0.00 0.00 55.95 53.85 2ny4 s SER 1125Cb -0.12 -1.25 -0.05 0.00 0.21 0.00 0.00 66.02 64.81 2ny4 s SER 1125CO 0.02 -0.14 0.84 -2.16 0.41 0.00 0.00 173.24 172.21 2ny4 s PRO 1126N -0.76 3.68 -0.04 12.44 0.04 -1.26 -4.95 135.00 144.16 2ny4 s PRO 1126Ca 0.25 0.47 -0.03 0.00 0.04 0.00 0.00 61.00 61.73 2ny4 s PRO 1126Cb -0.07 -2.31 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 2ny4 s PRO 1126CO -0.14 -0.20 0.14 -1.12 0.04 0.00 0.00 177.00 175.72 2ny4 s SER 1127N -3.64 6.18 -0.02 6.66 0.01 -0.22 -4.58 113.70 118.09 2ny4 s SER 1127Ca 0.51 0.32 0.05 0.00 1.31 0.00 0.00 55.95 58.15 2ny4 s SER 1127Cb -0.10 -1.92 -0.01 0.00 0.21 0.00 0.00 66.02 64.20 2ny4 s SER 1127CO 0.40 0.30 -0.18 -0.69 0.41 0.00 0.00 173.24 173.48 2ny4 s VAL 1128N -1.21 1.39 -0.04 3.43 1.01 -0.54 0.11 120.40 124.55 2ny4 s VAL 1128Ca 0.23 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.47 2ny4 s VAL 1128Cb -0.12 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.12 2ny4 s VAL 1128CO 0.14 0.39 -0.04 -1.58 0.00 0.00 0.00 175.10 174.01 2ny4 s GLN 1129N -0.39 0.77 0.07 2.72 0.74 -0.38 -1.47 119.66 121.72 2ny4 s GLN 1129Ca 0.06 -0.09 0.06 0.00 0.05 0.00 0.00 55.36 55.44 2ny4 s GLN 1129Cb -0.07 -0.79 -0.03 0.00 1.10 0.00 0.00 33.01 33.23 2ny4 s GLN 1129CO -0.01 -0.07 -0.17 0.00 -0.55 0.00 0.00 175.29 174.49 2ny4 s ARG 1131N -1.54 0.88 0.75 0.00 3.52 -0.17 -1.16 118.95 121.24 2ny4 s ARG 1131Ca 0.02 -0.11 -0.12 0.00 -0.13 0.00 0.00 55.73 55.40 2ny4 s ARG 1131Cb -0.09 -0.91 0.04 0.00 -1.56 0.00 0.00 34.95 32.43 2ny4 s ARG 1131CO 0.02 -0.10 1.13 -1.54 -0.81 0.00 0.00 175.30 174.00 2ny4 s SER 1132N 1.03 5.02 0.43 -2.12 1.04 0.03 -1.43 113.70 117.70 2ny4 s SER 1132Ca -0.09 0.99 0.21 0.00 0.48 0.00 0.00 55.95 57.55 2ny4 s SER 1132Cb -0.14 -1.66 1.18 0.00 0.10 0.00 0.00 66.02 65.50 2ny4 s SER 1132CO -0.00 -1.60 1.79 -0.65 0.98 0.00 0.00 173.24 173.76 2ny4 h PRO 1133N -0.84 0.31 -0.00 4.02 0.11 -1.79 -0.88 132.00 132.93 2ny4 h PRO 1133Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2ny4 h PRO 1133Cb 1.29 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2ny4 h PRO 1133CO 0.65 0.21 -0.21 2.89 -0.21 0.00 0.00 178.00 181.32 2ny4 n ARG 1134N -4.53 0.00 0.00 1.05 1.85 -1.19 -4.90 116.66 108.93 2ny4 n ARG 1134Ca 0.24 -0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.09 2ny4 n ARG 1134Cb 0.91 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.82 2ny4 n ARG 1134CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2ny4 n GLY 1135N 1.50 0.82 3.69 2.89 0.00 -0.34 -5.06 105.19 108.70 2ny4 n GLY 1135Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2ny4 n GLY 1135CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ny4 s LYS 1136N -0.76 4.16 -0.11 1.61 2.47 -1.26 -4.73 119.74 121.12 2ny4 s LYS 1136Ca 0.00 2.48 -0.00 0.00 -1.56 0.00 0.00 55.97 56.89 2ny4 s LYS 1136Cb 0.00 -3.57 -0.02 0.00 -1.46 0.00 0.00 37.83 32.78 2ny4 s LYS 1136CO 0.00 -0.79 -0.09 -0.80 0.16 0.00 0.00 175.35 173.83 2ny4 s ASN 1137N 2.51 4.38 -0.01 1.43 -0.87 -1.26 -0.79 114.94 120.33 2ny4 s ASN 1137Ca 0.78 -0.18 0.03 0.00 -1.57 0.00 0.00 52.86 51.92 2ny4 s ASN 1137Cb -0.44 -1.44 -0.01 0.00 -0.02 0.00 0.00 41.25 39.35 2ny4 s ASN 1137CO 0.34 0.24 -0.10 -0.51 -2.57 0.00 0.00 177.10 174.51 2ny4 s ILE 1138N -0.09 0.79 0.14 0.60 1.10 -0.31 -5.00 121.20 118.43 2ny4 s ILE 1138Ca -0.00 -0.42 0.07 0.00 -0.51 0.00 0.00 60.65 59.79 2ny4 s ILE 1138Cb -0.13 -0.67 -0.04 0.00 0.15 0.00 0.00 42.46 41.76 2ny4 s ILE 1138CO 0.03 0.23 -0.16 -1.10 -2.11 0.00 0.00 174.94 171.83 2ny4 s GLN 1139N -0.15 1.13 0.00 3.50 1.11 -1.26 -0.75 119.66 123.24 2ny4 s GLN 1139Ca 0.03 -1.30 0.00 0.00 0.01 0.00 0.00 55.36 54.09 2ny4 s GLN 1139Cb -0.05 -1.11 0.00 0.00 -1.01 0.00 0.00 33.01 30.84 2ny4 s GLN 1139CO -0.00 0.22 0.00 0.41 0.01 0.00 0.00 175.29 175.93 2ny4 n GLY 1140N 0.48 -0.67 0.70 3.09 0.00 -0.54 -4.91 105.19 103.33 2ny4 n GLY 1140Ca -0.15 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2ny4 n GLY 1140CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ny4 n GLY 1141N 0.00 0.09 0.11 -0.02 0.00 -1.26 -1.46 105.19 102.64 2ny4 n GLY 1141Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2ny4 n GLY 1141CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2ny4 h LYS 1142N 0.00 0.08 -5.08 1.61 1.63 -1.90 -3.42 116.57 109.50 2ny4 h LYS 1142Ca 0.00 -0.14 -0.50 0.00 -0.85 0.00 0.00 60.65 59.16 2ny4 h LYS 1142Cb 0.00 0.05 -0.31 0.00 -0.60 0.00 0.00 32.23 31.38 2ny4 h LYS 1142CO 0.00 1.07 -0.82 -0.08 -3.45 0.00 0.00 179.45 176.17 2ny4 s THR 1143N -2.39 1.15 -0.11 1.00 -1.32 -1.26 -0.59 115.64 112.12 2ny4 s THR 1143Ca -0.25 -0.58 0.02 0.00 -1.21 0.00 0.00 61.69 59.68 2ny4 s THR 1143Cb 0.05 -0.99 0.01 0.00 -1.51 0.00 0.00 72.50 70.06 2ny4 s THR 1143CO 0.66 0.34 -0.17 -0.76 -2.21 0.00 0.00 174.62 172.48 2ny4 s LEU 1144N 0.01 1.83 -0.06 9.08 1.02 0.07 -4.76 118.68 125.87 2ny4 s LEU 1144Ca -0.01 -0.46 0.01 0.00 0.02 0.00 0.00 54.13 53.69 2ny4 s LEU 1144Cb -0.09 -1.17 0.02 0.00 0.02 0.00 0.00 46.19 44.97 2ny4 s LEU 1144CO 0.01 0.04 -0.08 -0.55 0.02 0.00 0.00 176.35 175.80 2ny4 s SER 1145N 0.85 1.35 -0.22 2.29 0.15 -1.26 0.64 113.70 117.51 2ny4 s SER 1145Ca -0.09 -0.21 -0.09 0.00 0.70 0.00 0.00 55.95 56.26 2ny4 s SER 1145Cb -0.15 -0.62 -0.05 0.00 -1.71 0.00 0.00 66.02 63.49 2ny4 s SER 1145CO 0.00 -0.02 0.12 -0.69 1.20 0.00 0.00 173.24 173.85 2ny4 s VAL 1146N 0.86 5.16 0.11 4.45 1.01 0.73 -4.97 120.40 127.76 2ny4 s VAL 1146Ca -0.12 0.11 -0.18 0.00 0.00 0.00 0.00 61.98 61.79 2ny4 s VAL 1146Cb -0.15 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 2ny4 s VAL 1146CO 0.01 0.39 1.65 -1.28 0.00 0.00 0.00 175.10 175.87 2ny4 h SER 1147N 7.20 0.44 -3.35 3.32 0.87 -1.89 -1.15 113.55 118.98 2ny4 h SER 1147Ca -0.38 -0.18 -0.37 0.00 -1.23 0.00 0.00 61.79 59.62 2ny4 h SER 1147Cb 1.17 -0.11 -0.37 0.00 -0.44 0.00 0.00 62.40 62.64 2ny4 h SER 1147CO 0.68 0.50 -0.75 -1.10 -0.53 0.00 0.00 176.83 175.64 2ny4 s GLN 1148N -5.49 0.14 0.24 2.24 -0.21 -1.26 -3.27 119.66 112.05 2ny4 s GLN 1148Ca -0.13 0.25 -0.24 0.00 0.02 0.00 0.00 55.36 55.25 2ny4 s GLN 1148Cb 0.09 -0.57 -0.09 0.00 1.00 0.00 0.00 33.01 33.44 2ny4 s GLN 1148CO 0.74 -0.27 0.83 -0.51 -2.12 0.00 0.00 175.29 173.95 2ny4 s LEU 1149N 1.80 4.43 0.18 2.90 1.43 0.46 -4.81 118.68 125.08 2ny4 s LEU 1149Ca 0.01 1.66 0.02 0.00 -1.03 0.00 0.00 54.13 54.79 2ny4 s LEU 1149Cb -0.12 -3.66 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 2ny4 s LEU 1149CO -0.03 0.06 0.32 -1.61 0.23 0.00 0.00 176.35 175.31 2ny4 s GLU 1150N -1.72 3.45 0.29 1.70 0.41 -1.26 -0.59 118.70 120.98 2ny4 s GLU 1150Ca 0.43 -0.58 0.04 0.00 -0.41 0.00 0.00 54.97 54.45 2ny4 s GLU 1150Cb -0.20 -2.93 0.69 0.00 -1.78 0.00 0.00 34.13 29.92 2ny4 s GLU 1150CO 0.24 0.48 1.77 1.25 -0.49 0.00 0.00 175.26 178.51 2ny4 h LEU 1151N 1.91 0.72 0.00 1.80 5.85 -1.91 0.42 115.31 124.11 2ny4 h LEU 1151Ca -0.49 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.33 2ny4 h LEU 1151Cb 1.20 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.20 2ny4 h LEU 1151CO 0.67 0.26 0.00 0.00 -0.34 0.00 0.00 178.44 179.03 2ny4 n GLN 1152N -4.79 0.07 0.00 1.25 3.00 -1.26 -1.47 117.38 114.19 2ny4 n GLN 1152Ca 0.22 0.25 0.14 0.00 -0.01 0.00 0.00 57.00 57.60 2ny4 n GLN 1152Cb 0.54 -1.50 0.65 0.00 0.00 0.00 0.00 30.24 29.93 2ny4 n GLN 1152CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2ny4 n ASP 1153N -1.40 0.36 -4.72 1.08 8.00 0.14 -3.18 116.55 116.82 2ny4 n ASP 1153Ca 0.04 -0.49 -0.42 0.00 0.71 0.00 0.00 54.79 54.63 2ny4 n ASP 1153Cb 0.11 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 2ny4 n ASP 1153CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2ny4 s SER 1154N -2.49 7.04 0.00 -2.24 0.15 -0.54 -4.56 113.70 111.07 2ny4 s SER 1154Ca 0.29 2.13 0.00 0.00 0.70 0.00 0.00 55.95 59.08 2ny4 s SER 1154Cb 0.20 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2ny4 s SER 1154CO 0.47 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 175.06 2ny4 n GLY 1155N 2.92 0.59 3.59 9.45 0.00 0.11 -4.81 105.19 117.05 2ny4 n GLY 1155Ca 0.08 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 2ny4 n GLY 1155CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ny4 s THR 1156N -2.20 5.01 0.15 2.61 2.01 -1.26 -0.33 115.64 121.63 2ny4 s THR 1156Ca 0.00 0.71 -0.15 0.00 0.31 0.00 0.00 61.69 62.56 2ny4 s THR 1156Cb 0.00 -3.92 -0.07 0.00 0.01 0.00 0.00 72.50 68.52 2ny4 s THR 1156CO 0.00 -0.07 0.57 0.26 -0.69 0.00 0.00 174.62 174.69 2ny4 s TRP 1157N 2.43 3.62 -0.21 4.92 0.52 0.67 -3.97 118.94 126.92 2ny4 s TRP 1157Ca 0.22 1.11 -0.00 0.00 0.02 0.00 0.00 56.10 57.44 2ny4 s TRP 1157Cb -0.15 -2.40 0.02 0.00 -1.15 0.00 0.00 33.47 29.78 2ny4 s TRP 1157CO 0.11 0.43 -0.13 0.99 0.02 0.00 0.00 176.95 178.37 2ny4 s THR 1158N -1.45 2.52 -0.08 2.01 2.01 -0.51 -1.03 115.64 119.11 2ny4 s THR 1158Ca 0.38 -0.90 0.04 0.00 0.31 0.00 0.00 61.69 61.52 2ny4 s THR 1158Cb -0.15 -2.16 -0.01 0.00 0.01 0.00 0.00 72.50 70.19 2ny4 s THR 1158CO 0.19 0.41 -0.22 0.00 -0.69 0.00 0.00 174.62 174.31 2ny4 s THR 1160N 0.02 3.67 -0.22 0.00 2.01 0.17 0.22 115.64 121.51 2ny4 s THR 1160Ca -0.08 -0.44 -0.07 0.00 0.31 0.00 0.00 61.69 61.40 2ny4 s THR 1160Cb -0.15 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 2ny4 s THR 1160CO 0.05 0.51 0.07 -0.69 -0.69 0.00 0.00 174.62 173.87 2ny4 s VAL 1161N 0.26 4.55 -0.17 3.82 1.01 0.19 -1.25 120.40 128.82 2ny4 s VAL 1161Ca -0.05 -0.10 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 2ny4 s VAL 1161Cb -0.14 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 2ny4 s VAL 1161CO 0.04 0.39 -0.01 -0.22 0.00 0.00 0.00 175.10 175.30 2ny4 s LEU 1162N 1.05 3.37 -0.25 3.92 0.20 0.12 -1.56 118.68 125.52 2ny4 s LEU 1162Ca 0.04 -0.11 -0.12 0.00 0.69 0.00 0.00 54.13 54.64 2ny4 s LEU 1162Cb -0.14 -1.83 0.09 0.00 -0.43 0.00 0.00 46.19 43.87 2ny4 s LEU 1162CO 0.03 0.14 0.58 -1.58 -0.29 0.00 0.00 176.35 175.23 2ny4 s GLN 1163N 0.54 0.56 -1.41 1.98 2.00 0.54 -1.06 119.66 122.81 2ny4 s GLN 1163Ca -0.01 1.15 -0.08 0.00 -2.00 0.00 0.00 55.36 54.42 2ny4 s GLN 1163Cb -0.14 0.27 0.04 0.00 0.80 0.00 0.00 33.01 33.99 2ny4 s GLN 1163CO 0.02 -0.17 0.93 0.09 -0.50 0.00 0.00 175.29 175.65 2ny4 n ASN 1164N 4.67 -3.69 0.00 6.67 4.13 -1.26 -0.98 115.26 124.80 2ny4 n ASN 1164Ca -0.18 -0.75 0.00 0.00 1.68 0.00 0.00 54.58 55.34 2ny4 n ASN 1164Cb 0.55 -4.20 0.00 0.00 -1.54 0.00 0.00 39.78 34.59 2ny4 n ASN 1164CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ny4 n GLN 1165N -4.57 0.00 -3.79 3.52 1.13 -1.26 -4.95 117.38 107.46 2ny4 n GLN 1165Ca -0.10 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.68 2ny4 n GLN 1165Cb 0.59 -2.87 -0.03 0.00 0.11 0.00 0.00 30.24 28.04 2ny4 n GLN 1165CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2ny4 s LYS 1166N -0.08 3.50 0.05 -1.09 -0.14 -0.15 -5.12 119.74 116.71 2ny4 s LYS 1166Ca 0.00 -0.40 0.03 0.00 -1.36 0.00 0.00 55.97 54.24 2ny4 s LYS 1166Cb 0.00 -2.90 -0.03 0.00 -1.68 0.00 0.00 37.83 33.22 2ny4 s LYS 1166CO 0.00 0.47 -0.09 -1.59 -0.76 0.00 0.00 175.35 173.38 2ny4 s LYS 1167N -3.11 0.61 0.05 1.68 -2.85 -1.26 -0.34 119.74 114.53 2ny4 s LYS 1167Ca 0.37 -0.81 0.04 0.00 -1.00 0.00 0.00 55.97 54.57 2ny4 s LYS 1167Cb -0.11 -0.43 -0.03 0.00 -2.06 0.00 0.00 37.83 35.20 2ny4 s LYS 1167CO 0.28 0.09 -0.11 0.54 0.10 0.00 0.00 175.35 176.25 2ny4 s VAL 1168N -1.35 0.80 -0.10 1.79 0.11 -0.60 -4.96 120.40 116.09 2ny4 s VAL 1168Ca -0.08 -1.15 0.03 0.00 -2.93 0.00 0.00 61.98 57.85 2ny4 s VAL 1168Cb -0.10 -0.81 -0.01 0.00 -1.53 0.00 0.00 36.38 33.93 2ny4 s VAL 1168CO 0.01 -0.29 -0.21 -0.70 -3.33 0.00 0.00 175.10 170.58 2ny4 s GLU 1169N -1.60 3.03 -0.11 1.54 2.12 -1.26 -0.64 118.70 121.78 2ny4 s GLU 1169Ca -0.06 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 54.45 2ny4 s GLU 1169Cb -0.10 -2.37 -0.02 0.00 0.26 0.00 0.00 34.13 31.90 2ny4 s GLU 1169CO 0.01 0.25 -0.11 -0.06 -0.54 0.00 0.00 175.26 174.81 2ny4 s PHE 1170N 0.20 2.83 -0.20 5.30 0.08 0.13 -4.97 117.98 121.34 2ny4 s PHE 1170Ca -0.13 -0.41 -0.04 0.00 0.12 0.00 0.00 56.93 56.47 2ny4 s PHE 1170Cb -0.16 -1.80 -0.02 0.00 -0.57 0.00 0.00 43.02 40.47 2ny4 s PHE 1170CO 0.07 -0.04 -0.02 0.15 -0.10 0.00 0.00 175.22 175.28 2ny4 s LYS 1171N -0.02 3.54 -0.11 0.44 1.02 -1.26 -0.12 119.74 123.22 2ny4 s LYS 1171Ca -0.02 -0.56 0.03 0.00 0.02 0.00 0.00 55.97 55.44 2ny4 s LYS 1171Cb -0.14 -3.04 0.01 0.00 -0.52 0.00 0.00 37.83 34.14 2ny4 s LYS 1171CO 0.04 -0.04 -0.20 0.42 -0.92 0.00 0.00 175.35 174.65 2ny4 s ILE 1172N 1.11 1.83 -0.23 2.17 1.01 -0.20 -4.96 121.20 121.93 2ny4 s ILE 1172Ca 0.02 -0.86 -0.23 0.00 0.00 0.00 0.00 60.65 59.58 2ny4 s ILE 1172Cb -0.14 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.70 2ny4 s ILE 1172CO 0.01 0.51 0.73 -1.81 0.00 0.00 0.00 174.94 174.37 2ny4 s ASP 1173N 0.66 6.74 -0.08 3.58 1.01 -1.26 -0.24 116.67 127.08 2ny4 s ASP 1173Ca -0.12 0.91 0.03 0.00 0.71 0.00 0.00 52.55 54.08 2ny4 s ASP 1173Cb -0.16 -2.39 -0.02 0.00 1.01 0.00 0.00 42.92 41.36 2ny4 s ASP 1173CO 0.03 -0.41 -0.18 -0.63 0.21 0.00 0.00 175.17 174.19 2ny4 s ILE 1174N 2.46 2.66 -0.20 0.77 -1.09 0.55 -4.99 121.20 121.36 2ny4 s ILE 1174Ca 0.31 -0.84 -0.04 0.00 -2.23 0.00 0.00 60.65 57.85 2ny4 s ILE 1174Cb -0.16 -2.04 -0.02 0.00 -1.58 0.00 0.00 42.46 38.67 2ny4 s ILE 1174CO 0.09 0.56 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.63 2ny4 s VAL 1175N -0.19 3.56 -0.19 2.92 1.01 -1.26 0.06 120.40 126.31 2ny4 s VAL 1175Ca -0.01 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 2ny4 s VAL 1175Cb -0.13 -2.60 -0.00 0.00 0.00 0.00 0.00 36.38 33.64 2ny4 s VAL 1175CO 0.03 0.44 -0.10 -0.69 0.00 0.00 0.00 175.10 174.78 2ny4 s VAL 1176N 1.12 2.95 0.20 2.92 1.01 -1.26 -0.31 120.40 127.03 2ny4 s VAL 1176Ca 0.02 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 2ny4 s VAL 1176Cb -0.15 -2.30 -0.08 0.00 0.00 0.00 0.00 36.38 33.85 2ny4 s VAL 1176CO 0.00 0.47 1.11 -0.76 0.00 0.00 0.00 175.10 175.92 2ny4 s LEU 1177N 1.20 4.50 0.62 3.92 1.43 -0.10 -4.81 118.68 125.44 2ny4 s LEU 1177Ca 0.02 2.14 -0.10 0.00 -1.03 0.00 0.00 54.13 55.16 2ny4 s LEU 1177Cb -0.14 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 2ny4 s LEU 1177CO -0.04 -0.21 1.00 0.00 0.23 0.00 0.00 176.35 177.33 2ny4 s ALA 1178N -0.43 3.11 -0.02 4.21 0.00 -1.26 -4.25 121.76 123.12 2ny4 s ALA 1178Ca 0.49 -0.23 -0.14 0.00 0.00 0.00 0.00 51.96 52.08 2ny4 s ALA 1178Cb -0.30 -2.98 0.02 0.00 0.00 0.00 0.00 23.12 19.86 2ny4 s ALA 1178CO 0.36 -0.74 0.29 -0.59 0.00 0.00 0.00 175.76 175.09 2ny4 s PHE 1179N -3.15 -0.18 -0.22 0.00 -0.12 -1.26 -5.09 117.98 107.97 2ny4 s PHE 1179Ca 0.55 0.29 -0.26 0.00 -0.05 0.00 0.00 56.93 57.45 2ny4 s PHE 1179Cb -0.11 0.09 -0.00 0.00 -0.63 0.00 0.00 43.02 42.36 2ny4 s PHE 1179CO 0.52 -0.36 0.89 1.14 -0.05 0.00 0.00 175.22 177.36 2ny4 s GLN 1180N -1.18 4.23 0.00 1.99 0.00 -1.26 -5.24 119.66 118.20 2ny4 s GLN 1180Ca -0.12 1.08 0.00 0.00 -0.00 0.00 0.00 55.36 56.31 2ny4 s GLN 1180Cb -0.05 -3.63 0.00 0.00 0.00 0.00 0.00 33.01 29.33 2ny4 s GLN 1180CO 0.04 -0.51 0.32 1.63 0.00 0.00 0.00 175.29 176.77