#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i2h s PHE 1000N 0.00 2.93 0.29 -1.84 0.40 -1.26 -5.14 117.98 113.36 1i2h s PHE 1000Ca 0.00 -0.09 -0.02 0.00 -0.60 0.00 0.00 56.93 56.21 1i2h s PHE 1000Cb 0.00 -1.43 -0.04 0.00 0.51 0.00 0.00 43.02 42.06 1i2h s PHE 1000CO 0.00 0.51 0.51 -1.64 0.70 0.00 0.00 175.22 175.31 1i2h s MET 1001N -2.89 3.56 5.44 0.44 -1.94 -1.26 -4.95 119.30 117.71 1i2h s MET 1001Ca 0.28 -0.18 0.00 0.00 -1.71 0.00 0.00 55.69 54.08 1i2h s MET 1001Cb -0.10 -2.70 0.00 0.00 2.01 0.00 0.00 34.83 34.05 1i2h s MET 1001CO 0.20 0.24 0.00 0.41 -0.01 0.00 0.00 175.02 175.85 1i2h n GLY 1002N -1.13 1.42 3.66 -0.03 0.00 -1.26 -4.78 105.19 103.07 1i2h n GLY 1002Ca -0.03 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 1i2h n GLY 1002CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i2h s GLU 1003N 0.00 4.13 0.20 1.61 2.02 -1.26 -4.95 118.70 120.45 1i2h s GLU 1003Ca 0.00 2.18 -0.30 0.00 0.02 0.00 0.00 54.97 56.88 1i2h s GLU 1003Cb 0.00 -4.01 -0.08 0.00 0.10 0.00 0.00 34.13 30.14 1i2h s GLU 1003CO 0.00 -0.91 1.00 -0.65 0.02 0.00 0.00 175.26 174.72 1i2h s GLN 1004N 4.17 4.74 0.97 1.61 -1.52 -1.26 -5.04 119.66 123.33 1i2h s GLN 1004Ca 0.75 1.57 -0.12 0.00 -1.95 0.00 0.00 55.36 55.62 1i2h s GLN 1004Cb -0.33 -3.29 0.18 0.00 -0.22 0.00 0.00 33.01 29.34 1i2h s GLN 1004CO 0.31 0.32 1.09 -1.25 -0.25 0.00 0.00 175.29 175.50 1i2h s PRO 1005N -0.79 0.60 -0.07 2.91 0.04 -1.26 -4.86 135.00 131.56 1i2h s PRO 1005Ca 0.44 0.98 -0.05 0.00 0.04 0.00 0.00 61.00 62.42 1i2h s PRO 1005Cb -0.27 -1.72 -0.27 0.00 0.04 0.00 0.00 34.50 32.28 1i2h s PRO 1005CO 0.33 -2.74 0.55 0.82 0.04 0.00 0.00 177.00 176.01 1i2h h ILE 1006N -1.92 0.81 -2.93 0.56 2.04 -1.64 -3.47 117.51 110.96 1i2h h ILE 1006Ca -0.51 -2.50 -0.16 0.00 1.00 0.00 0.00 64.86 62.69 1i2h h ILE 1006Cb 1.29 2.60 -0.27 0.00 -0.74 0.00 0.00 36.82 39.70 1i2h h ILE 1006CO 0.51 0.83 -0.39 0.12 0.00 0.00 0.00 178.15 179.21 1i2h s PHE 1007N -2.58 -0.40 0.06 1.37 5.36 -1.23 -5.01 117.98 115.55 1i2h s PHE 1007Ca -0.17 0.91 0.05 0.00 -0.96 0.00 0.00 56.93 56.77 1i2h s PHE 1007Cb 0.06 0.12 -0.03 0.00 -0.34 0.00 0.00 43.02 42.84 1i2h s PHE 1007CO 0.81 -0.23 -0.14 -1.12 -1.46 0.00 0.00 175.22 173.08 1i2h s SER 1008N 0.87 1.64 0.27 6.13 0.01 -1.26 -0.60 113.70 120.76 1i2h s SER 1008Ca -0.06 -0.57 -0.03 0.00 1.31 0.00 0.00 55.95 56.60 1i2h s SER 1008Cb -0.07 -0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.08 1i2h s SER 1008CO -0.06 -0.05 0.32 0.28 0.41 0.00 0.00 173.24 174.14 1i2h s THR 1009N -1.15 0.00 -0.10 1.44 -1.32 0.59 -4.97 115.64 110.12 1i2h s THR 1009Ca -0.01 -1.76 -0.00 0.00 -1.21 0.00 0.00 61.69 58.71 1i2h s THR 1009Cb -0.09 -2.46 -0.02 0.00 -1.51 0.00 0.00 72.50 68.41 1i2h s THR 1009CO 0.02 0.00 -0.09 -0.13 -2.21 0.00 0.00 174.62 172.21 1i2h s ARG 1010N -3.75 3.12 0.00 7.08 1.81 -1.26 -0.25 118.95 125.70 1i2h s ARG 1010Ca 0.33 -0.60 -0.29 0.00 -1.72 0.00 0.00 55.73 53.45 1i2h s ARG 1010Cb 0.03 -2.65 0.07 0.00 -0.45 0.00 0.00 34.95 31.95 1i2h s ARG 1010CO 0.16 0.43 0.68 0.00 -0.68 0.00 0.00 175.30 175.89 1i2h s ALA 1011N -0.18 -1.74 0.12 2.13 0.00 -0.57 -4.39 121.76 117.13 1i2h s ALA 1011Ca 0.01 1.11 -0.30 0.00 0.00 0.00 0.00 51.96 52.78 1i2h s ALA 1011Cb -0.13 0.21 -0.06 0.00 0.00 0.00 0.00 23.12 23.13 1i2h s ALA 1011CO 0.03 -0.48 1.05 -1.01 0.00 0.00 0.00 175.76 175.34 1i2h s HIS 1012N -1.92 3.67 -0.16 0.00 3.76 0.28 -1.22 115.29 119.69 1i2h s HIS 1012Ca -0.07 1.65 -0.08 0.00 -0.15 0.00 0.00 55.06 56.42 1i2h s HIS 1012Cb -0.00 -3.19 -0.04 0.00 1.11 0.00 0.00 32.58 30.45 1i2h s HIS 1012CO 0.03 -0.32 0.11 0.08 -0.85 0.00 0.00 174.74 173.79 1i2h s VAL 1013N 0.10 5.21 0.17 -0.90 1.01 -1.26 -0.48 120.40 124.25 1i2h s VAL 1013Ca 0.50 0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.64 1i2h s VAL 1013Cb -0.26 -3.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 1i2h s VAL 1013CO 0.32 0.52 -0.12 -0.36 0.00 0.00 0.00 175.10 175.47 1i2h s PHE 1014N -0.25 1.42 0.06 5.22 0.40 0.45 -0.39 117.98 124.90 1i2h s PHE 1014Ca 0.10 -0.70 -0.12 0.00 -0.60 0.00 0.00 56.93 55.62 1i2h s PHE 1014Cb -0.12 -0.70 0.01 0.00 0.51 0.00 0.00 43.02 42.73 1i2h s PHE 1014CO 0.01 0.18 0.26 1.14 0.70 0.00 0.00 175.22 177.51 1i2h s GLN 1015N -3.71 0.81 -0.17 0.44 -2.07 0.26 -0.59 119.66 114.63 1i2h s GLN 1015Ca 0.19 -0.67 0.01 0.00 -1.82 0.00 0.00 55.36 53.07 1i2h s GLN 1015Cb 0.01 0.34 0.01 0.00 -1.09 0.00 0.00 33.01 32.29 1i2h s GLN 1015CO 0.03 -0.26 -0.18 0.42 -1.32 0.00 0.00 175.29 173.98 1i2h s ILE 1016N -3.00 2.27 -0.23 3.63 1.01 0.31 -1.19 121.20 124.00 1i2h s ILE 1016Ca -0.02 -0.88 -0.11 0.00 0.00 0.00 0.00 60.65 59.65 1i2h s ILE 1016Cb 0.01 -1.96 -0.05 0.00 0.01 0.00 0.00 42.46 40.47 1i2h s ILE 1016CO -0.06 0.53 0.16 -1.81 0.00 0.00 0.00 174.94 173.76 1i2h s ASP 1017N 1.15 6.15 0.52 3.58 1.01 -1.26 -1.52 116.67 126.30 1i2h s ASP 1017Ca 0.01 0.16 0.25 0.00 0.71 0.00 0.00 52.55 53.68 1i2h s ASP 1017Cb -0.14 -2.11 1.45 0.00 1.01 0.00 0.00 42.92 43.13 1i2h s ASP 1017CO -0.08 0.09 2.10 1.55 0.21 0.00 0.00 175.17 179.04 1i2h h PRO 1018N 7.30 0.00 -0.68 8.23 0.13 -1.96 -2.92 132.00 142.10 1i2h h PRO 1018Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1i2h h PRO 1018Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1i2h h PRO 1018CO 0.68 0.10 0.00 0.09 -0.23 0.00 0.00 178.00 178.64 1i2h n ASN 1019N -3.84 4.56 -4.44 1.44 3.02 -1.26 -4.86 115.26 109.88 1i2h n ASN 1019Ca -0.02 -2.32 -0.28 0.00 -0.03 0.00 0.00 54.58 51.93 1i2h n ASN 1019Cb 0.20 -0.56 -0.12 0.00 -0.61 0.00 0.00 39.78 38.69 1i2h n ASN 1019CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1i2h s THR 1020N -1.60 2.49 -0.16 3.41 -4.23 -1.10 -5.05 115.64 109.40 1i2h s THR 1020Ca 0.51 -1.81 0.29 0.00 -1.18 0.00 0.00 61.69 59.51 1i2h s THR 1020Cb 0.31 -2.16 0.36 0.00 1.34 0.00 0.00 72.50 72.35 1i2h s THR 1020CO 0.28 -0.00 1.84 0.11 -0.54 0.00 0.00 174.62 176.30 1i2h h LYS 1021N 3.51 0.00 -7.29 3.99 1.79 -1.89 -3.46 116.57 113.22 1i2h h LYS 1021Ca -0.49 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.47 1i2h h LYS 1021Cb 1.19 0.00 0.16 0.00 -1.58 0.00 0.00 32.23 32.00 1i2h h LYS 1021CO 0.45 0.00 0.28 0.15 -1.08 0.00 0.00 179.45 179.25 1i2h s LYS 1022N -3.47 1.76 0.00 3.15 1.02 -1.26 -5.06 119.74 115.88 1i2h s LYS 1022Ca 0.04 1.35 0.00 0.00 0.02 0.00 0.00 55.97 57.37 1i2h s LYS 1022Cb 0.08 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.56 1i2h s LYS 1022CO 0.57 -2.05 0.00 0.09 -0.92 0.00 0.00 175.35 173.04 1i2h n ASN 1023N -3.77 0.00 -4.72 2.83 3.02 -1.26 -4.80 115.26 106.56 1i2h n ASN 1023Ca 0.10 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.23 1i2h n ASN 1023Cb 0.52 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.67 1i2h n ASN 1023CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1i2h s TRP 1024N 2.20 2.96 0.01 3.10 0.52 -1.26 -4.55 118.94 121.92 1i2h s TRP 1024Ca 0.00 0.56 0.05 0.00 0.02 0.00 0.00 56.10 56.73 1i2h s TRP 1024Cb 0.00 -4.02 -0.01 0.00 -1.15 0.00 0.00 33.47 28.29 1i2h s TRP 1024CO 0.00 -3.73 -0.14 0.14 0.02 0.00 0.00 176.95 173.24 1i2h s VAL 1025N 0.94 1.13 0.14 4.03 -7.23 -0.33 -4.96 120.40 114.11 1i2h s VAL 1025Ca 0.70 -0.75 -0.31 0.00 -1.81 0.00 0.00 61.98 59.81 1i2h s VAL 1025Cb -0.46 -0.97 -0.09 0.00 0.56 0.00 0.00 36.38 35.42 1i2h s VAL 1025CO 0.34 0.21 1.48 -2.16 -0.31 0.00 0.00 175.10 174.67 1i2h s PRO 1026N -0.62 4.27 -0.21 4.82 0.04 -1.26 -0.58 135.00 141.47 1i2h s PRO 1026Ca 0.04 2.23 -0.04 0.00 0.04 0.00 0.00 61.00 63.27 1i2h s PRO 1026Cb -0.06 -3.20 -0.20 0.00 0.04 0.00 0.00 34.50 31.08 1i2h s PRO 1026CO 0.00 -0.52 0.01 2.41 0.04 0.00 0.00 177.00 178.94 1i2h n THR 1027N 3.93 1.61 -4.78 1.26 -1.04 0.48 -4.86 114.28 110.87 1i2h n THR 1027Ca 0.13 -0.55 -0.33 0.00 -2.04 0.00 0.00 64.05 61.25 1i2h n THR 1027Cb 0.40 -1.62 -0.12 0.00 -1.82 0.00 0.00 70.33 67.17 1i2h n THR 1027CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1i2h s SER 1028N -6.82 4.27 0.16 8.00 1.04 -1.06 -5.01 113.70 114.28 1i2h s SER 1028Ca -0.30 -0.13 -0.05 0.00 0.48 0.00 0.00 55.95 55.95 1i2h s SER 1028Cb 0.08 -1.00 0.02 0.00 0.10 0.00 0.00 66.02 65.22 1i2h s SER 1028CO 0.65 0.34 1.42 0.07 0.98 0.00 0.00 173.24 176.71 1i2h h LYS 1029N 5.37 0.54 -5.67 4.02 -0.00 -1.90 -3.41 116.57 115.51 1i2h h LYS 1029Ca -0.46 -0.41 -0.63 0.00 -0.00 0.00 0.00 60.65 59.14 1i2h h LYS 1029Cb 1.16 0.08 -0.13 0.00 -0.00 0.00 0.00 32.23 33.34 1i2h h LYS 1029CO 0.51 1.04 -0.59 -3.38 -0.00 0.00 0.00 179.45 177.03 1i2h s HIS 1030N -3.75 2.51 0.33 0.07 -3.43 -1.26 -5.07 115.29 104.70 1i2h s HIS 1030Ca -0.07 -0.67 -0.29 0.00 -0.80 0.00 0.00 55.06 53.23 1i2h s HIS 1030Cb 0.10 -1.79 -0.11 0.00 -1.43 0.00 0.00 32.58 29.35 1i2h s HIS 1030CO 0.86 0.43 1.50 0.00 -2.00 0.00 0.00 174.74 175.52 1i2h s ALA 1031N -2.71 3.63 0.32 -1.38 0.00 -1.26 -4.66 121.76 115.71 1i2h s ALA 1031Ca 0.35 1.51 0.05 0.00 0.00 0.00 0.00 51.96 53.87 1i2h s ALA 1031Cb 0.09 -3.60 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 1i2h s ALA 1031CO 0.18 -0.96 0.03 0.14 0.00 0.00 0.00 175.76 175.15 1i2h s VAL 1032N -0.64 1.39 0.06 0.00 -7.23 -0.36 -4.91 120.40 108.72 1i2h s VAL 1032Ca 0.56 -2.03 -0.28 0.00 -1.81 0.00 0.00 61.98 58.43 1i2h s VAL 1032Cb -0.46 -2.74 -0.05 0.00 0.56 0.00 0.00 36.38 33.69 1i2h s VAL 1032CO 0.55 -0.07 0.88 -0.89 -0.31 0.00 0.00 175.10 175.25 1i2h s THR 1033N -3.16 4.67 -0.11 5.32 2.01 -1.26 -1.51 115.64 121.59 1i2h s THR 1033Ca 0.35 1.87 0.03 0.00 0.31 0.00 0.00 61.69 64.25 1i2h s THR 1033Cb 0.08 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.36 1i2h s THR 1033CO 0.15 0.31 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.47 1i2h s VAL 1034N 0.18 1.99 0.05 3.82 1.01 0.65 -3.81 120.40 124.30 1i2h s VAL 1034Ca 0.44 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.50 1i2h s VAL 1034Cb -0.22 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1i2h s VAL 1034CO 0.26 0.54 -0.12 -0.44 0.00 0.00 0.00 175.10 175.35 1i2h s SER 1035N 0.55 1.38 -0.15 3.32 0.01 -0.14 -0.30 113.70 118.37 1i2h s SER 1035Ca -0.14 -0.54 -0.16 0.00 1.31 0.00 0.00 55.95 56.42 1i2h s SER 1035Cb -0.17 -0.04 -0.04 0.00 0.21 0.00 0.00 66.02 65.98 1i2h s SER 1035CO 0.04 -0.09 0.37 -0.31 0.41 0.00 0.00 173.24 173.67 1i2h s TYR 1036N -1.17 3.46 -0.04 2.43 2.02 0.24 -0.42 117.35 123.88 1i2h s TYR 1036Ca -0.03 0.70 0.02 0.00 -0.37 0.00 0.00 57.07 57.38 1i2h s TYR 1036Cb -0.09 -2.44 0.01 0.00 -0.40 0.00 0.00 41.96 39.04 1i2h s TYR 1036CO 0.01 0.17 -0.07 0.12 -1.57 0.00 0.00 175.55 174.21 1i2h s PHE 1037N 0.67 0.90 -0.40 2.71 5.36 0.87 -1.43 117.98 126.66 1i2h s PHE 1037Ca 0.20 -0.25 -0.18 0.00 -0.96 0.00 0.00 56.93 55.74 1i2h s PHE 1037Cb -0.14 -0.70 0.01 0.00 -0.34 0.00 0.00 43.02 41.85 1i2h s PHE 1037CO 0.07 -0.15 0.50 -0.47 -1.46 0.00 0.00 175.22 173.70 1i2h s TYR 1038N 0.53 3.15 -0.63 10.12 5.04 -1.26 0.06 117.35 134.36 1i2h s TYR 1038Ca -0.08 -0.13 -0.24 0.00 -2.44 0.00 0.00 57.07 54.17 1i2h s TYR 1038Cb -0.12 -3.00 0.05 0.00 0.35 0.00 0.00 41.96 39.25 1i2h s TYR 1038CO 0.01 -0.68 1.02 0.34 -1.34 0.00 0.00 175.55 174.89 1i2h s ASP 1039N 1.84 6.24 0.26 4.32 -1.08 -0.10 -4.93 116.67 123.22 1i2h s ASP 1039Ca 0.16 -0.62 0.02 0.00 -0.52 0.00 0.00 52.55 51.59 1i2h s ASP 1039Cb -0.16 -2.45 0.34 0.00 -1.46 0.00 0.00 42.92 39.18 1i2h s ASP 1039CO 0.15 -1.43 1.66 0.77 0.52 0.00 0.00 175.17 176.83 1i2h h SER 1040N 9.55 0.46 -0.42 -0.34 4.64 -1.96 0.16 113.55 125.65 1i2h h SER 1040Ca -0.28 -0.19 -0.11 0.00 -0.47 0.00 0.00 61.79 60.75 1i2h h SER 1040Cb 1.07 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 63.01 1i2h h SER 1040CO 1.16 0.79 -0.13 0.71 -0.87 0.00 0.00 176.83 178.50 1i2h h THR 1041N 0.38 1.26 0.00 2.95 1.35 -1.96 -3.01 112.91 113.88 1i2h h THR 1041Ca 0.04 -1.24 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 1i2h h THR 1041Cb 0.82 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1i2h h THR 1041CO 0.07 0.43 -0.56 0.54 -0.25 0.00 0.00 175.52 175.74 1i2h n ARG 1042N -4.14 0.06 -3.81 4.72 5.12 -1.09 -4.97 116.66 112.54 1i2h n ARG 1042Ca 0.01 0.01 -0.24 0.00 -1.93 0.00 0.00 57.85 55.71 1i2h n ARG 1042Cb 0.39 -1.53 0.01 0.00 -1.16 0.00 0.00 32.46 30.18 1i2h n ARG 1042CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1i2h n ASN 1043N -1.61 -1.26 -4.11 0.55 4.05 0.53 -5.00 115.26 108.41 1i2h n ASN 1043Ca 0.05 -0.88 -0.09 0.00 0.45 0.00 0.00 54.58 54.11 1i2h n ASN 1043Cb 0.36 -3.71 -0.10 0.00 1.23 0.00 0.00 39.78 37.55 1i2h n ASN 1043CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1i2h s VAL 1044N -3.72 0.43 -0.16 3.44 -7.23 -1.08 -4.77 120.40 107.30 1i2h s VAL 1044Ca 0.08 -1.67 -0.09 0.00 -1.81 0.00 0.00 61.98 58.49 1i2h s VAL 1044Cb -0.04 -1.34 -0.05 0.00 0.56 0.00 0.00 36.38 35.52 1i2h s VAL 1044CO 0.84 -0.82 0.14 -0.31 -0.31 0.00 0.00 175.10 174.64 1i2h s TYR 1045N -3.23 3.49 -0.00 2.82 2.02 -1.26 -0.92 117.35 120.27 1i2h s TYR 1045Ca 0.04 0.42 0.06 0.00 -0.37 0.00 0.00 57.07 57.22 1i2h s TYR 1045Cb 0.03 -2.07 -0.02 0.00 -0.40 0.00 0.00 41.96 39.50 1i2h s TYR 1045CO -0.06 0.48 -0.19 1.03 -1.57 0.00 0.00 175.55 175.25 1i2h s ARG 1046N -0.24 1.45 -0.34 -0.62 0.52 0.11 -0.47 118.95 119.37 1i2h s ARG 1046Ca 0.11 -0.70 -0.24 0.00 -0.52 0.00 0.00 55.73 54.38 1i2h s ARG 1046Cb -0.11 -1.43 0.01 0.00 0.52 0.00 0.00 34.95 33.93 1i2h s ARG 1046CO 0.01 0.39 0.83 0.42 0.02 0.00 0.00 175.30 176.96 1i2h s ILE 1047N -0.50 4.72 -0.15 1.52 1.01 0.12 -0.09 121.20 127.84 1i2h s ILE 1047Ca 0.07 1.12 0.00 0.00 0.00 0.00 0.00 60.65 61.84 1i2h s ILE 1047Cb -0.07 -4.21 -0.00 0.00 0.01 0.00 0.00 42.46 38.18 1i2h s ILE 1047CO -0.00 -0.37 -0.15 -0.63 0.00 0.00 0.00 174.94 173.78 1i2h s ILE 1048N 3.13 2.67 -0.06 2.92 -1.09 0.44 -1.44 121.20 127.77 1i2h s ILE 1048Ca 0.34 -0.77 0.01 0.00 -2.23 0.00 0.00 60.65 57.99 1i2h s ILE 1048Cb -0.13 -2.12 0.02 0.00 -1.58 0.00 0.00 42.46 38.65 1i2h s ILE 1048CO 0.15 0.52 -0.07 -0.55 -1.23 0.00 0.00 174.94 173.76 1i2h s SER 1049N 0.74 1.42 -0.13 3.58 0.15 -0.60 -0.97 113.70 117.89 1i2h s SER 1049Ca -0.07 -0.20 -0.02 0.00 0.70 0.00 0.00 55.95 56.36 1i2h s SER 1049Cb -0.16 -0.61 -0.03 0.00 -1.71 0.00 0.00 66.02 63.51 1i2h s SER 1049CO 0.01 -0.05 -0.04 -0.76 1.20 0.00 0.00 173.24 173.60 1i2h s LEU 1050N 1.05 3.25 -0.42 3.45 1.43 -1.25 -0.15 118.68 126.03 1i2h s LEU 1050Ca -0.08 -0.09 -0.06 0.00 -1.03 0.00 0.00 54.13 52.87 1i2h s LEU 1050Cb -0.14 -1.76 0.10 0.00 0.03 0.00 0.00 46.19 44.42 1i2h s LEU 1050CO -0.00 0.23 0.24 -0.62 0.23 0.00 0.00 176.35 176.42 1i2h s ASP 1051N 0.01 5.42 1.62 2.29 -1.08 -0.17 -4.50 116.67 120.25 1i2h s ASP 1051Ca 0.00 -1.84 0.00 0.00 -0.52 0.00 0.00 52.55 50.19 1i2h s ASP 1051Cb -0.13 -1.90 0.00 0.00 -1.46 0.00 0.00 42.92 39.43 1i2h s ASP 1051CO 0.03 -0.56 0.00 0.61 0.52 0.00 0.00 175.17 175.77 1i2h n GLY 1052N 4.74 2.88 0.38 2.66 0.00 -1.26 -3.25 105.19 111.34 1i2h n GLY 1052Ca -0.06 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.85 1i2h n GLY 1052CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1i2h n SER 1053N 7.17 1.65 -4.63 1.61 3.41 -1.26 -4.93 113.62 116.64 1i2h n SER 1053Ca 0.00 -1.28 -0.32 0.00 -0.26 0.00 0.00 58.87 57.01 1i2h n SER 1053Cb 0.00 0.41 -0.09 0.00 -0.26 0.00 0.00 64.21 64.27 1i2h n SER 1053CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1i2h s LYS 1054N -2.53 2.58 -0.05 4.33 -2.85 -1.20 -5.09 119.74 114.93 1i2h s LYS 1054Ca 0.19 -0.74 -0.30 0.00 -1.00 0.00 0.00 55.97 54.13 1i2h s LYS 1054Cb 0.18 -2.54 -0.03 0.00 -2.06 0.00 0.00 37.83 33.38 1i2h s LYS 1054CO 0.58 0.59 1.12 0.00 0.10 0.00 0.00 175.35 177.74 1i2h s ALA 1055N -1.09 3.42 -0.19 0.59 0.00 -1.26 -1.00 121.76 122.22 1i2h s ALA 1055Ca 0.20 0.58 0.15 0.00 0.00 0.00 0.00 51.96 52.88 1i2h s ALA 1055Cb -0.11 -3.47 -0.21 0.00 0.00 0.00 0.00 23.12 19.33 1i2h s ALA 1055CO 0.11 -0.62 0.40 0.44 0.00 0.00 0.00 175.76 176.09 1i2h n ILE 1056N 4.43 0.00 -4.43 0.00 -5.35 0.78 -4.86 119.36 109.93 1i2h n ILE 1056Ca 0.10 -0.30 -0.27 0.00 -0.27 0.00 0.00 62.75 62.01 1i2h n ILE 1056Cb 0.47 0.37 -0.17 0.00 -1.74 0.00 0.00 39.64 38.58 1i2h n ILE 1056CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1i2h s ILE 1057N -2.87 1.35 -0.40 7.28 1.01 -0.91 -4.95 121.20 121.71 1i2h s ILE 1057Ca -0.03 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.09 1i2h s ILE 1057Cb 0.10 -1.25 0.16 0.00 0.01 0.00 0.00 42.46 41.48 1i2h s ILE 1057CO 0.62 0.41 0.31 0.21 0.00 0.00 0.00 174.94 176.49 1i2h s ASN 1058N 0.98 1.73 -0.22 3.58 3.84 -1.24 -1.55 114.94 122.06 1i2h s ASN 1058Ca -0.07 -2.84 -0.02 0.00 0.21 0.00 0.00 52.86 50.14 1i2h s ASN 1058Cb -0.15 -0.40 0.02 0.00 -0.55 0.00 0.00 41.25 40.17 1i2h s ASN 1058CO -0.01 -0.20 -0.09 -0.55 -2.79 0.00 0.00 177.10 173.46 1i2h s SER 1059N 0.31 4.02 -0.27 -4.21 0.15 -0.52 -4.96 113.70 108.23 1i2h s SER 1059Ca 0.29 -0.69 -0.28 0.00 0.70 0.00 0.00 55.95 55.97 1i2h s SER 1059Cb -0.02 -1.64 0.01 0.00 -1.71 0.00 0.00 66.02 62.66 1i2h s SER 1059CO -0.15 -0.07 1.00 -0.89 1.20 0.00 0.00 173.24 174.34 1i2h s THR 1060N 1.35 4.65 0.11 6.45 2.01 -1.26 0.15 115.64 129.11 1i2h s THR 1060Ca 0.03 1.80 -0.31 0.00 0.31 0.00 0.00 61.69 63.52 1i2h s THR 1060Cb -0.15 -4.31 -0.08 0.00 0.01 0.00 0.00 72.50 67.97 1i2h s THR 1060CO -0.06 -0.27 1.49 -0.63 -0.69 0.00 0.00 174.62 174.46 1i2h s ILE 1061N 3.28 3.07 0.25 1.82 1.01 0.38 -4.98 121.20 126.04 1i2h s ILE 1061Ca 0.42 0.71 0.11 0.00 0.00 0.00 0.00 60.65 61.89 1i2h s ILE 1061Cb -0.14 -3.46 -0.05 0.00 0.01 0.00 0.00 42.46 38.83 1i2h s ILE 1061CO 0.10 0.04 -0.12 0.42 0.00 0.00 0.00 174.94 175.38 1i2h s THR 1062N 1.51 2.91 0.47 2.92 -4.23 -1.26 -4.69 115.64 113.27 1i2h s THR 1062Ca 0.68 -2.09 0.13 0.00 -1.18 0.00 0.00 61.69 59.22 1i2h s THR 1062Cb -0.39 -2.51 0.26 0.00 1.34 0.00 0.00 72.50 71.20 1i2h s THR 1062CO 0.30 -0.32 2.11 -0.65 -0.54 0.00 0.00 174.62 175.52 1i2h h PRO 1063N 2.32 0.20 -0.01 3.99 0.11 -1.88 -2.67 132.00 134.05 1i2h h PRO 1063Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1i2h h PRO 1063Cb 1.24 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1i2h h PRO 1063CO 0.58 0.14 -0.21 0.27 -0.21 0.00 0.00 178.00 178.57 1i2h n ASN 1064N -4.50 1.51 -4.75 -2.05 6.94 -1.26 -4.93 115.26 106.22 1i2h n ASN 1064Ca -0.01 -1.26 -0.38 0.00 -0.02 0.00 0.00 54.58 52.91 1i2h n ASN 1064Cb 0.09 0.15 0.05 0.00 -2.36 0.00 0.00 39.78 37.71 1i2h n ASN 1064CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1i2h s MET 1065N -2.33 2.99 -0.10 -3.83 1.00 -1.01 -5.03 119.30 110.99 1i2h s MET 1065Ca 0.27 2.20 0.01 0.00 0.00 0.00 0.00 55.69 58.17 1i2h s MET 1065Cb 0.20 -2.16 0.02 0.00 0.00 0.00 0.00 34.83 32.88 1i2h s MET 1065CO 0.46 -1.29 -0.14 0.99 0.00 0.00 0.00 175.02 175.04 1i2h s THR 1066N -1.32 1.39 -0.27 2.05 2.01 -1.26 -5.01 115.64 113.23 1i2h s THR 1066Ca 0.74 -0.58 -0.12 0.00 0.31 0.00 0.00 61.69 62.04 1i2h s THR 1066Cb -0.40 -1.29 -0.05 0.00 0.01 0.00 0.00 72.50 70.78 1i2h s THR 1066CO 0.46 0.42 0.24 0.12 -0.69 0.00 0.00 174.62 175.17 1i2h s PHE 1067N 1.04 3.25 -0.13 4.92 5.36 -1.26 -4.15 117.98 127.00 1i2h s PHE 1067Ca -0.06 0.22 -0.00 0.00 -0.96 0.00 0.00 56.93 56.13 1i2h s PHE 1067Cb -0.15 -2.41 -0.01 0.00 -0.34 0.00 0.00 43.02 40.10 1i2h s PHE 1067CO -0.02 -0.14 -0.13 0.99 -1.46 0.00 0.00 175.22 174.47 1i2h s THR 1068N 1.72 3.06 -0.12 0.12 2.01 0.03 -4.93 115.64 117.53 1i2h s THR 1068Ca 0.09 -0.66 -0.28 0.00 0.31 0.00 0.00 61.69 61.16 1i2h s THR 1068Cb -0.16 -2.29 -0.01 0.00 0.01 0.00 0.00 72.50 70.05 1i2h s THR 1068CO 0.10 0.52 0.95 -0.54 -0.69 0.00 0.00 174.62 174.96 1i2h s LYS 1069N 0.39 4.39 0.00 4.92 1.02 -1.26 -1.24 119.74 127.96 1i2h s LYS 1069Ca -0.10 1.28 0.00 0.00 0.02 0.00 0.00 55.97 57.17 1i2h s LYS 1069Cb -0.16 -3.55 0.00 0.00 -0.52 0.00 0.00 37.83 33.61 1i2h s LYS 1069CO 0.05 -0.30 0.00 0.25 -0.92 0.00 0.00 175.35 174.43 1i2h n THR 1070N 4.56 0.00 -3.84 2.17 -2.24 -1.07 -5.02 114.28 108.83 1i2h n THR 1070Ca 0.07 -0.17 -0.05 0.00 -2.27 0.00 0.00 64.05 61.63 1i2h n THR 1070Cb 0.49 0.73 0.02 0.00 -2.10 0.00 0.00 70.33 69.46 1i2h n THR 1070CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1i2h s SER 1071N -0.76 -0.02 0.03 3.42 1.04 -1.21 -5.06 113.70 111.13 1i2h s SER 1071Ca 0.00 -0.80 -0.33 0.00 0.48 0.00 0.00 55.95 55.30 1i2h s SER 1071Cb 0.00 0.62 -0.11 0.00 0.10 0.00 0.00 66.02 66.63 1i2h s SER 1071CO 0.00 -1.23 1.85 1.67 0.98 0.00 0.00 173.24 176.51 1i2h n GLN 1072N -0.61 2.47 -1.45 4.02 7.27 -1.26 -2.07 117.38 125.74 1i2h n GLN 1072Ca -0.05 0.90 -0.16 0.00 0.07 0.00 0.00 57.00 57.76 1i2h n GLN 1072Cb 0.60 -2.77 -0.07 0.00 2.41 0.00 0.00 30.24 30.41 1i2h n GLN 1072CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1i2h n LYS 1073N 6.10 -1.59 -4.41 3.69 5.02 -1.26 -4.91 118.16 120.80 1i2h n LYS 1073Ca 0.20 1.04 -0.21 0.00 -2.02 0.00 0.00 58.31 57.33 1i2h n LYS 1073Cb 0.34 -5.45 -0.16 0.00 -0.02 0.00 0.00 35.03 29.74 1i2h n LYS 1073CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1i2h s PHE 1074N -2.32 1.00 0.12 2.13 5.36 -0.88 0.32 117.98 123.71 1i2h s PHE 1074Ca 0.00 -0.26 -0.03 0.00 -0.96 0.00 0.00 56.93 55.67 1i2h s PHE 1074Cb 0.00 -0.72 -0.03 0.00 -0.34 0.00 0.00 43.02 41.93 1i2h s PHE 1074CO 0.00 -0.12 0.10 0.20 -1.46 0.00 0.00 175.22 173.94 1i2h s GLY 1075N 0.26 0.71 0.02 13.12 0.00 -0.91 -2.60 107.32 117.92 1i2h s GLY 1075Ca -0.04 -1.23 -0.15 0.00 0.00 0.00 0.00 44.72 43.30 1i2h s GLY 1075CO 0.01 -1.19 0.32 -0.86 0.00 0.00 0.00 173.10 171.38 1i2h s GLN 1076N -3.99 0.78 -0.01 2.90 -2.07 -0.37 -0.71 119.66 116.18 1i2h s GLN 1076Ca 0.18 -0.37 -0.03 0.00 -1.82 0.00 0.00 55.36 53.32 1i2h s GLN 1076Cb 0.06 0.34 -0.00 0.00 -1.09 0.00 0.00 33.01 32.32 1i2h s GLN 1076CO -0.02 -0.24 0.06 1.67 -1.32 0.00 0.00 175.29 175.44 1i2h s TRP 1077N -2.10 0.03 0.06 9.60 -2.14 -0.46 -0.79 118.94 123.14 1i2h s TRP 1077Ca -0.08 -0.06 -0.21 0.00 2.66 0.00 0.00 56.10 58.41 1i2h s TRP 1077Cb -0.02 -0.04 -0.06 0.00 -3.10 0.00 0.00 33.47 30.24 1i2h s TRP 1077CO -0.00 -0.13 0.64 0.00 -2.66 0.00 0.00 176.95 174.80 1i2h s ALA 1078N -0.63 3.50 -0.34 2.67 0.00 -1.26 -1.02 121.76 124.68 1i2h s ALA 1078Ca -0.07 0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.03 1i2h s ALA 1078Cb -0.04 -2.77 0.10 0.00 0.00 0.00 0.00 23.12 20.40 1i2h s ALA 1078CO 0.00 0.25 0.06 0.34 0.00 0.00 0.00 175.76 176.41 1i2h s ASP 1079N -0.65 4.82 0.31 0.00 -1.08 0.01 -4.74 116.67 115.34 1i2h s ASP 1079Ca 0.32 -2.04 0.01 0.00 -0.52 0.00 0.00 52.55 50.32 1i2h s ASP 1079Cb -0.20 -1.66 0.49 0.00 -1.46 0.00 0.00 42.92 40.10 1i2h s ASP 1079CO 0.20 -0.39 1.86 0.28 0.52 0.00 0.00 175.17 177.65 1i2h h SER 1080N 7.71 0.68 -0.26 -0.34 0.02 -1.97 0.11 113.55 119.49 1i2h h SER 1080Ca -0.07 -0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 60.69 1i2h h SER 1080Cb 1.03 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 1i2h h SER 1080CO 0.54 0.67 -0.16 -0.09 -1.14 0.00 0.00 176.83 176.65 1i2h h ARG 1081N 0.71 0.57 -0.00 3.45 2.43 -1.94 -2.86 114.38 116.74 1i2h h ARG 1081Ca 0.16 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1i2h h ARG 1081Cb 0.26 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1i2h h ARG 1081CO -0.00 0.84 -0.02 0.00 -1.51 0.00 0.00 179.97 179.27 1i2h n ALA 1082N -2.44 2.39 -3.88 2.80 0.00 -1.13 -4.94 120.51 113.32 1i2h n ALA 1082Ca -0.04 -0.11 -0.24 0.00 0.00 0.00 0.00 53.44 53.04 1i2h n ALA 1082Cb 0.38 -1.46 -0.00 0.00 0.00 0.00 0.00 19.45 18.37 1i2h n ALA 1082CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1i2h n ASN 1083N -1.48 -0.81 -3.73 0.00 3.02 0.34 -4.97 115.26 107.62 1i2h n ASN 1083Ca 0.08 -0.94 -0.14 0.00 -0.03 0.00 0.00 54.58 53.55 1i2h n ASN 1083Cb 0.33 -3.40 -0.09 0.00 -0.61 0.00 0.00 39.78 36.01 1i2h n ASN 1083CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1i2h s THR 1084N -3.82 0.03 -0.20 3.41 2.01 -0.96 -4.34 115.64 111.77 1i2h s THR 1084Ca 0.05 -0.22 -0.09 0.00 0.31 0.00 0.00 61.69 61.74 1i2h s THR 1084Cb -0.02 -0.61 -0.05 0.00 0.01 0.00 0.00 72.50 71.83 1i2h s THR 1084CO 0.86 -0.12 0.11 -0.69 -0.69 0.00 0.00 174.62 174.09 1i2h s VAL 1085N -0.60 5.17 -0.06 3.82 1.01 -0.58 -0.81 120.40 128.35 1i2h s VAL 1085Ca -0.07 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 1i2h s VAL 1085Cb -0.04 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1i2h s VAL 1085CO 0.03 0.44 0.07 -0.31 0.00 0.00 0.00 175.10 175.34 1i2h s TYR 1086N 0.41 3.33 0.00 5.22 2.02 -0.19 -0.53 117.35 127.60 1i2h s TYR 1086Ca 0.06 0.28 0.04 0.00 -0.37 0.00 0.00 57.07 57.08 1i2h s TYR 1086Cb -0.12 -1.80 -0.01 0.00 -0.40 0.00 0.00 41.96 39.63 1i2h s TYR 1086CO -0.01 0.57 -0.13 0.20 -1.57 0.00 0.00 175.55 174.62 1i2h s GLY 1087N -1.33 0.65 -0.11 0.71 0.00 0.24 -1.36 107.32 106.13 1i2h s GLY 1087Ca 0.18 -0.60 0.02 0.00 0.00 0.00 0.00 44.72 44.33 1i2h s GLY 1087CO 0.08 -0.52 -0.18 1.08 0.00 0.00 0.00 173.10 173.56 1i2h s LEU 1088N -0.47 1.89 -0.30 0.66 1.43 0.11 -0.41 118.68 121.59 1i2h s LEU 1088Ca 0.04 -0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 52.52 1i2h s LEU 1088Cb -0.05 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.91 1i2h s LEU 1088CO -0.00 0.06 0.27 -0.83 0.23 0.00 0.00 176.35 176.08 1i2h s GLY 1089N 0.79 1.92 0.45 -3.19 0.00 0.37 -2.14 107.32 105.53 1i2h s GLY 1089Ca -0.10 -1.11 0.04 0.00 0.00 0.00 0.00 44.72 43.54 1i2h s GLY 1089CO 0.01 0.80 0.64 -1.36 0.00 0.00 0.00 173.10 173.19 1i2h s PHE 1090N 1.86 3.00 -0.40 1.90 0.08 0.15 -0.56 117.98 124.01 1i2h s PHE 1090Ca 0.09 -0.08 0.23 0.00 0.12 0.00 0.00 56.93 57.30 1i2h s PHE 1090Cb -0.16 -2.40 0.26 0.00 -0.57 0.00 0.00 43.02 40.15 1i2h s PHE 1090CO 0.11 -0.46 1.43 0.66 -0.10 0.00 0.00 175.22 176.86 1i2h h SER 1091N 0.45 0.00 -5.15 1.36 4.64 -1.87 -3.47 113.55 109.52 1i2h h SER 1091Ca -0.43 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 60.82 1i2h h SER 1091Cb 1.27 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.25 1i2h h SER 1091CO 0.52 0.01 -0.14 -0.94 -0.87 0.00 0.00 176.83 175.41 1i2h s SER 1092N -5.74 -0.12 0.36 4.97 1.04 -1.26 -5.04 113.70 107.91 1i2h s SER 1092Ca 0.05 -0.60 0.03 0.00 0.48 0.00 0.00 55.95 55.91 1i2h s SER 1092Cb 0.07 0.49 0.67 0.00 0.10 0.00 0.00 66.02 67.36 1i2h s SER 1092CO 0.71 -0.94 2.01 -0.08 0.98 0.00 0.00 173.24 175.91 1i2h h GLU 1093N 2.39 0.76 -0.52 4.02 4.22 -1.93 -2.58 114.58 120.94 1i2h h GLU 1093Ca -0.31 -0.06 0.07 0.00 0.08 0.00 0.00 59.36 59.14 1i2h h GLU 1093Cb 1.24 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 30.27 1i2h h GLU 1093CO 0.44 0.52 0.21 1.25 -2.18 0.00 0.00 179.01 179.25 1i2h h HIS 1094N 0.78 0.37 -0.32 0.92 2.76 -1.99 -1.29 115.15 116.38 1i2h h HIS 1094Ca 0.21 0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 58.26 1i2h h HIS 1094Cb -0.05 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 28.81 1i2h h HIS 1094CO 0.00 0.13 -0.39 0.45 -1.30 0.00 0.00 177.93 176.83 1i2h h HIS 1095N 0.40 0.89 -0.05 5.26 3.86 -1.90 -1.07 115.15 122.55 1i2h h HIS 1095Ca 0.25 -0.26 0.03 0.00 -1.16 0.00 0.00 60.37 59.22 1i2h h HIS 1095Cb 0.25 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.49 1i2h h HIS 1095CO -0.15 1.02 -0.14 1.25 0.86 0.00 0.00 177.93 180.77 1i2h h LEU 1096N 0.62 -0.42 -0.75 2.43 5.85 -1.23 -1.50 115.31 120.30 1i2h h LEU 1096Ca 0.05 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 1i2h h LEU 1096Cb 0.93 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1i2h h LEU 1096CO 0.09 -0.19 -0.14 0.28 -0.34 0.00 0.00 178.44 178.13 1i2h h SER 1097N -0.21 0.79 -0.35 1.25 0.02 -1.13 -1.87 113.55 112.06 1i2h h SER 1097Ca 0.06 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 1i2h h SER 1097Cb 0.30 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1i2h h SER 1097CO -0.17 0.95 0.14 0.50 -1.14 0.00 0.00 176.83 177.11 1i2h h LYS 1098N 0.71 0.51 -0.57 3.45 1.63 -1.11 -0.73 116.57 120.46 1i2h h LYS 1098Ca 0.11 -0.09 0.02 0.00 -0.85 0.00 0.00 60.65 59.85 1i2h h LYS 1098Cb 0.64 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 32.15 1i2h h LYS 1098CO 0.04 0.50 0.35 0.35 -3.45 0.00 0.00 179.45 177.25 1i2h h PHE 1099N 0.41 0.66 -0.70 1.91 3.57 -1.11 -0.93 116.94 120.75 1i2h h PHE 1099Ca 0.12 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 1i2h h PHE 1099Cb 0.17 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 1i2h h PHE 1099CO -0.01 0.38 0.37 0.00 -2.23 0.00 0.00 178.31 176.82 1i2h h ALA 1100N 1.24 0.90 -0.35 2.41 0.00 -1.13 -0.59 119.26 121.74 1i2h h ALA 1100Ca 0.23 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1i2h h ALA 1100Cb 0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1i2h h ALA 1100CO -0.09 0.44 0.20 0.93 0.00 0.00 0.00 179.25 180.73 1i2h h GLU 1101N 0.97 0.49 -0.94 0.00 5.08 -0.78 -2.75 114.58 116.65 1i2h h GLU 1101Ca 0.25 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.58 1i2h h GLU 1101Cb 0.07 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 1i2h h GLU 1101CO -0.04 0.39 0.61 0.87 -1.00 0.00 0.00 179.01 179.85 1i2h h LYS 1102N 0.45 1.17 -0.48 2.33 1.79 -0.92 -2.19 116.57 118.72 1i2h h LYS 1102Ca 0.13 -0.07 0.08 0.00 -2.18 0.00 0.00 60.65 58.61 1i2h h LYS 1102Cb 0.03 -0.26 -0.07 0.00 -1.58 0.00 0.00 32.23 30.35 1i2h h LYS 1102CO -0.02 0.78 0.09 0.35 -1.08 0.00 0.00 179.45 179.57 1i2h h PHE 1103N 1.21 0.15 -0.72 -1.35 3.04 -0.83 0.18 116.94 118.62 1i2h h PHE 1103Ca 0.37 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 62.29 1i2h h PHE 1103Cb -0.04 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.45 1i2h h PHE 1103CO -0.01 -0.01 0.22 1.96 -2.02 0.00 0.00 178.31 178.45 1i2h h GLN 1104N 0.23 1.12 -0.46 1.11 1.08 -1.27 0.90 115.11 117.82 1i2h h GLN 1104Ca 0.24 -0.24 0.02 0.00 -1.45 0.00 0.00 58.65 57.22 1i2h h GLN 1104Cb 0.32 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.56 1i2h h GLN 1104CO -0.32 0.95 0.27 1.49 -0.95 0.00 0.00 178.83 180.27 1i2h h GLU 1105N 1.07 0.52 0.00 1.46 4.81 -0.66 -2.13 114.58 119.66 1i2h h GLU 1105Ca 0.23 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.31 1i2h h GLU 1105Cb 0.31 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1i2h h GLU 1105CO -0.01 0.34 -0.57 0.74 -0.73 0.00 0.00 179.01 178.78 1i2h h PHE 1106N 0.53 0.00 -0.44 0.92 0.04 -0.41 -2.24 116.94 115.34 1i2h h PHE 1106Ca 0.18 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.96 1i2h h PHE 1106Cb 0.02 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 1i2h h PHE 1106CO -0.07 0.57 0.28 0.87 -0.60 0.00 0.00 178.31 179.36 1i2h h LYS 1107N 0.00 0.55 -0.43 1.51 1.57 -0.61 1.00 116.57 120.16 1i2h h LYS 1107Ca -0.01 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1i2h h LYS 1107Cb 1.13 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 1i2h h LYS 1107CO 0.07 0.36 0.05 0.93 -0.57 0.00 0.00 179.45 180.29 1i2h h GLU 1108N 0.56 0.72 -0.93 3.15 3.07 -1.25 -2.01 114.58 117.88 1i2h h GLU 1108Ca 0.17 -0.21 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 1i2h h GLU 1108Cb -0.03 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 27.75 1i2h h GLU 1108CO -0.05 0.77 0.54 0.00 -1.40 0.00 0.00 179.01 178.86 1i2h h ALA 1109N 0.92 1.20 -0.66 3.43 0.00 -1.25 -1.50 119.26 121.41 1i2h h ALA 1109Ca 0.13 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1i2h h ALA 1109Cb 0.41 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1i2h h ALA 1109CO 0.01 0.67 0.19 0.00 0.00 0.00 0.00 179.25 180.12 1i2h h ALA 1110N 1.30 1.09 -0.22 0.00 0.00 -0.70 0.17 119.26 120.90 1i2h h ALA 1110Ca 0.33 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1i2h h ALA 1110Cb -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1i2h h ALA 1110CO -0.06 0.62 0.13 -0.09 0.00 0.00 0.00 179.25 179.85 1i2h h ARG 1111N 0.98 0.30 -0.67 0.00 2.43 -0.86 -1.40 114.38 115.15 1i2h h ARG 1111Ca 0.21 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.28 1i2h h ARG 1111Cb 0.31 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1i2h h ARG 1111CO -0.00 0.24 0.12 -0.07 -1.51 0.00 0.00 179.97 178.75 1i2h h LEU 1112N 0.27 1.06 -0.47 3.80 3.38 -1.10 -2.40 115.31 119.85 1i2h h LEU 1112Ca 0.08 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.84 1i2h h LEU 1112Cb 0.02 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 1i2h h LEU 1112CO -0.01 1.05 0.23 0.00 0.09 0.00 0.00 178.44 179.79 1i2h h ALA 1113N 1.06 0.60 -0.69 1.53 0.00 -0.52 -1.01 119.26 120.22 1i2h h ALA 1113Ca 0.21 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1i2h h ALA 1113Cb 0.43 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1i2h h ALA 1113CO 0.01 -0.12 0.27 0.87 0.00 0.00 0.00 179.25 180.28 1i2h h LYS 1114N 0.46 1.03 -0.59 0.00 1.57 -1.12 0.83 116.57 118.74 1i2h h LYS 1114Ca 0.21 -0.19 0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1i2h h LYS 1114Cb 0.13 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 1i2h h LYS 1114CO -0.15 0.86 0.34 0.93 -0.57 0.00 0.00 179.45 180.85 1i2h h GLU 1115N 0.98 0.64 0.00 3.15 5.08 -1.17 -2.70 114.58 120.56 1i2h h GLU 1115Ca 0.23 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 1i2h h GLU 1115Cb 0.21 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1i2h h GLU 1115CO -0.02 0.42 -0.25 0.87 -1.00 0.00 0.00 179.01 179.03 1i2h h LYS 1116N 0.66 0.00 -5.54 2.33 1.57 -0.78 -3.52 116.57 111.28 1i2h h LYS 1116Ca 0.25 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.67 1i2h h LYS 1116Cb 0.09 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 1i2h h LYS 1116CO -0.14 0.25 1.12 -1.12 -0.57 0.00 0.00 179.45 179.00 1i2h s SER 1117N -6.24 5.21 -0.23 0.86 0.01 0.25 -5.08 113.70 108.48 1i2h s SER 1117Ca 0.01 -1.59 -0.05 0.00 1.31 0.00 0.00 55.95 55.63 1i2h s SER 1117Cb 0.10 -2.58 0.12 0.00 0.21 0.00 0.00 66.02 63.86 1i2h s SER 1117CO 0.65 -2.87 0.44 -1.59 0.41 0.00 0.00 173.24 170.28 1i2h s LYS 1120N 6.34 0.37 0.05 12.44 0.00 -1.26 -5.08 119.74 132.61 1i2h s LYS 1120Ca 0.67 0.87 0.01 0.00 0.00 0.00 0.00 55.97 57.53 1i2h s LYS 1120Cb -0.01 0.09 -0.04 0.00 0.00 0.00 0.00 37.83 37.87 1i2h s LYS 1120CO 0.11 -0.43 0.10 -1.64 0.00 0.00 0.00 175.35 173.49 1i2h s MET 1121N 2.63 3.04 -0.38 1.78 -1.94 -1.26 -5.09 119.30 118.08 1i2h s MET 1121Ca 0.06 -0.58 -0.16 0.00 -1.71 0.00 0.00 55.69 53.30 1i2h s MET 1121Cb -0.14 -2.83 0.01 0.00 2.01 0.00 0.00 34.83 33.88 1i2h s MET 1121CO -0.15 0.60 0.37 -2.00 -0.01 0.00 0.00 175.02 173.83 1i2h s GLU 1122N -2.20 3.27 0.46 2.03 2.56 -1.26 -5.08 118.70 118.49 1i2h s GLU 1122Ca 0.28 -0.67 -0.16 0.00 0.00 0.00 0.00 54.97 54.42 1i2h s GLU 1122Cb -0.12 -3.90 -0.08 0.00 2.00 0.00 0.00 34.13 32.03 1i2h s GLU 1122CO 0.20 -0.69 0.92 -0.51 -0.56 0.00 0.00 175.26 174.62 1i2h s LEU 1123N 1.99 3.75 0.01 2.70 1.43 -1.26 -5.08 118.68 122.22 1i2h s LEU 1123Ca 0.10 1.48 -0.19 0.00 -1.03 0.00 0.00 54.13 54.49 1i2h s LEU 1123Cb -0.17 -4.38 0.04 0.00 0.03 0.00 0.00 46.19 41.70 1i2h s LEU 1123CO 0.12 -0.48 0.42 0.28 0.23 0.00 0.00 176.35 176.92 1i2h s THR 1124N -2.45 0.05 0.86 5.49 -1.32 -1.26 -5.15 115.64 111.85 1i2h s THR 1124Ca 0.57 -0.39 -0.11 0.00 -1.21 0.00 0.00 61.69 60.56 1i2h s THR 1124Cb -0.10 -0.85 0.11 0.00 -1.51 0.00 0.00 72.50 70.15 1i2h s THR 1124CO 0.27 -0.21 1.11 -0.44 -2.21 0.00 0.00 174.62 173.13 1i2h s SER 1125N -1.66 3.64 0.27 8.08 0.01 -1.26 -4.94 113.70 117.83 1i2h s SER 1125Ca -0.09 1.89 -0.30 0.00 1.31 0.00 0.00 55.95 58.76 1i2h s SER 1125Cb -0.02 -2.48 -0.11 0.00 0.21 0.00 0.00 66.02 63.63 1i2h s SER 1125CO 0.02 -2.60 1.51 -0.89 0.41 0.00 0.00 173.24 171.69 1i2h s THR 1126N -2.80 2.38 -0.19 1.44 2.01 -1.26 -4.85 115.64 112.37 1i2h s THR 1126Ca 0.64 0.32 -0.40 0.00 0.31 0.00 0.00 61.69 62.56 1i2h s THR 1126Cb -0.20 -3.21 -0.17 0.00 0.01 0.00 0.00 72.50 68.94 1i2h s THR 1126CO 0.57 0.05 1.56 -2.65 -0.69 0.00 0.00 174.62 173.47 1i2h n PRO 1127N 2.22 0.90 -0.70 4.92 -0.02 -1.26 -5.35 135.00 135.71 1i2h n PRO 1127Ca 0.07 0.33 -0.37 0.00 -2.02 0.00 0.00 63.50 61.51 1i2h n PRO 1127Cb 0.39 -1.96 -0.11 0.00 -0.02 0.00 0.00 33.50 31.80 1i2h n PRO 1127CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1i2h n SER 1128N 4.12 0.87 -0.31 2.55 7.64 -1.26 -5.27 113.62 121.96 1i2h n SER 1128Ca 0.24 -2.35 0.00 0.00 1.01 0.00 0.00 58.87 57.78 1i2h n SER 1128Cb 0.11 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 1i2h n SER 1128CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i2h n GLY 1134N 5.06 0.25 3.81 0.23 0.00 -1.26 -5.32 105.19 107.96 1i2h n GLY 1134Ca 0.42 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.12 1i2h n GLY 1134CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i2h s ASP 1135N -0.92 6.14 0.02 1.61 1.01 -1.26 -5.03 116.67 118.23 1i2h s ASP 1135Ca 0.00 1.75 -0.19 0.00 0.71 0.00 0.00 52.55 54.82 1i2h s ASP 1135Cb 0.00 -2.53 -0.06 0.00 1.01 0.00 0.00 42.92 41.34 1i2h s ASP 1135CO 0.00 -0.92 0.55 -0.22 0.21 0.00 0.00 175.17 174.78 1i2h s LEU 1136N -4.20 4.46 0.00 1.23 0.20 -1.26 -4.98 118.68 114.12 1i2h s LEU 1136Ca 0.63 1.14 0.13 0.00 0.69 0.00 0.00 54.13 56.71 1i2h s LEU 1136Cb -0.14 -2.84 0.02 0.00 -0.43 0.00 0.00 46.19 42.80 1i2h s LEU 1136CO 0.32 0.19 0.76 0.00 -0.29 0.00 0.00 176.35 177.34 1i2h n GLN 1137N 2.28 1.68 -2.98 1.98 6.02 -1.26 -5.02 117.38 120.08 1i2h n GLN 1137Ca -0.09 -0.82 -0.27 0.00 -0.01 0.00 0.00 57.00 55.81 1i2h n GLN 1137Cb 0.51 -1.18 -0.01 0.00 1.02 0.00 0.00 30.24 30.58 1i2h n GLN 1137CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1i2h s SER 1138N -1.47 6.34 0.64 1.08 0.01 -1.26 -5.06 113.70 113.99 1i2h s SER 1138Ca 0.11 0.81 -0.18 0.00 1.31 0.00 0.00 55.95 58.00 1i2h s SER 1138Cb 0.10 -2.19 -0.01 0.00 0.21 0.00 0.00 66.02 64.13 1i2h s SER 1138CO 0.28 -0.41 1.31 -2.84 0.41 0.00 0.00 173.24 171.98 1i2h s PRO 1139N -4.28 2.60 0.36 12.44 0.02 -1.26 -4.94 135.00 139.95 1i2h s PRO 1139Ca 0.46 2.09 0.19 0.00 0.02 0.00 0.00 61.00 63.76 1i2h s PRO 1139Cb -0.10 -1.89 0.37 0.00 0.02 0.00 0.00 34.50 32.91 1i2h s PRO 1139CO 0.38 -1.57 1.59 -0.07 -0.33 0.00 0.00 177.00 177.00 1i2h h LEU 1140N 0.63 0.00 -8.11 -5.54 3.38 -2.01 -3.45 115.31 100.22 1i2h h LEU 1140Ca -0.51 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.28 1i2h h LEU 1140Cb 1.34 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.89 1i2h h LEU 1140CO 0.53 0.34 -0.70 0.28 0.09 0.00 0.00 178.44 178.98 1i2h s THR 1141N -3.21 0.25 0.19 0.22 -1.32 -1.26 -5.06 115.64 105.45 1i2h s THR 1141Ca 0.03 -1.24 -0.05 0.00 -1.21 0.00 0.00 61.69 59.22 1i2h s THR 1141Cb 0.08 -0.74 -0.02 0.00 -1.51 0.00 0.00 72.50 70.30 1i2h s THR 1141CO 0.70 -0.64 1.54 1.55 -2.21 0.00 0.00 174.62 175.56 1i2h h PRO 1142N 4.11 0.70 0.00 7.08 0.13 -2.04 -3.54 132.00 138.45 1i2h h PRO 1142Ca -0.33 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 1i2h h PRO 1142Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1i2h h PRO 1142CO 0.49 0.99 0.00 -0.85 -0.23 0.00 0.00 178.00 178.40