#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f2k h TRP 1002N 0.00 0.22 -0.15 0.66 4.06 -2.00 -0.92 115.95 117.83 1f2k h TRP 1002Ca 0.00 -0.06 -0.12 0.00 2.06 0.00 0.00 58.89 60.77 1f2k h TRP 1002Cb 0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.10 1f2k h TRP 1002CO 0.00 0.57 -0.42 0.37 -3.56 0.00 0.00 178.44 175.40 1f2k h GLN 1003N 0.16 0.34 0.00 0.49 5.75 -1.95 -2.12 115.11 117.78 1f2k h GLN 1003Ca 0.01 -0.17 -0.18 0.00 -0.15 0.00 0.00 58.65 58.16 1f2k h GLN 1003Cb 0.79 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.31 1f2k h GLN 1003CO 0.06 0.71 -0.88 1.79 -2.65 0.00 0.00 178.83 177.86 1f2k h THR 1004N 0.28 1.62 -0.41 2.39 1.35 -1.81 0.24 112.91 116.58 1f2k h THR 1004Ca 0.02 -3.02 0.01 0.00 -0.55 0.00 0.00 66.41 62.87 1f2k h THR 1004Cb 0.87 2.63 -0.02 0.00 -1.73 0.00 0.00 68.15 69.90 1f2k h THR 1004CO 0.07 0.86 0.27 1.88 -0.25 0.00 0.00 175.52 178.35 1f2k h TYR 1005N 0.00 0.50 0.14 4.73 0.05 -0.91 0.71 116.97 122.19 1f2k h TYR 1005Ca -0.01 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 1f2k h TYR 1005Cb 1.56 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 39.14 1f2k h TYR 1005CO 0.00 0.31 -0.07 0.28 -1.05 0.00 0.00 178.16 177.64 1f2k h VAL 1006N 0.54 1.01 -0.26 -2.88 2.07 -1.26 -0.36 116.25 115.11 1f2k h VAL 1006Ca 0.15 -0.78 -0.09 0.00 0.82 0.00 0.00 66.70 66.80 1f2k h VAL 1006Cb -0.06 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1f2k h VAL 1006CO -0.04 0.18 -0.19 0.44 0.02 0.00 0.00 177.57 177.98 1f2k h ASP 1007N -0.57 0.63 0.00 0.57 3.32 -0.43 0.01 116.42 119.95 1f2k h ASP 1007Ca -0.02 -0.44 -0.06 0.00 0.02 0.00 0.00 57.03 56.53 1f2k h ASP 1007Cb 0.44 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1f2k h ASP 1007CO 0.03 0.93 -0.78 0.41 -1.72 0.00 0.00 179.24 178.11 1f2k n THR 1008N -4.39 1.45 0.21 0.35 -1.04 0.25 0.14 114.28 111.24 1f2k n THR 1008Ca -0.04 0.14 0.08 0.00 -2.04 0.00 0.00 64.05 62.19 1f2k n THR 1008Cb 0.40 -2.31 0.43 0.00 -1.82 0.00 0.00 70.33 67.03 1f2k n THR 1008CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1f2k h ASN 1009N -1.00 0.00 0.00 8.00 2.35 -1.14 -3.08 115.58 120.71 1f2k h ASN 1009Ca -0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1f2k h ASN 1009Cb 0.75 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.12 1f2k h ASN 1009CO -0.05 0.29 0.00 0.18 -1.65 0.00 0.00 177.43 176.20 1f2k n LEU 1010N -3.55 0.00 -0.19 1.61 4.77 -0.24 -4.64 117.00 114.76 1f2k n LEU 1010Ca -0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1f2k n LEU 1010Cb 0.44 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.55 1f2k n LEU 1010CO 0.35 -0.00 1.09 0.58 -1.33 0.00 0.00 177.39 178.07 1f2k h VAL 1011N 0.00 1.15 0.00 4.08 2.07 -1.10 -2.70 116.25 119.75 1f2k h VAL 1011Ca 0.00 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1f2k h VAL 1011Cb 0.00 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1f2k h VAL 1011CO 0.00 0.15 0.21 1.23 0.02 0.00 0.00 177.57 179.17 1f2k h GLY 1012N 0.74 0.00 2.00 2.17 0.00 0.12 -1.66 103.07 106.44 1f2k h GLY 1012Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.36 1f2k h GLY 1012CO -0.04 0.00 -0.78 -0.91 0.00 0.00 0.00 176.54 174.81 1f2k h THR 1013N 0.00 1.40 0.00 4.70 1.35 -1.48 -3.48 112.91 115.40 1f2k h THR 1013Ca 0.00 -2.83 0.00 0.00 -0.55 0.00 0.00 66.41 63.03 1f2k h THR 1013Cb 0.41 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.43 1f2k h THR 1013CO 0.00 0.76 0.00 0.61 -0.25 0.00 0.00 175.52 176.64 1f2k n GLY 1014N 1.12 0.37 0.18 5.82 0.00 -0.62 -4.95 105.19 107.10 1f2k n GLY 1014Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 1f2k n GLY 1014CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f2k h ALA 1015N 0.00 0.84 -3.34 4.61 0.00 -1.81 -3.45 119.26 116.11 1f2k h ALA 1015Ca 0.00 -0.25 -0.38 0.00 0.00 0.00 0.00 54.91 54.28 1f2k h ALA 1015Cb 0.00 -0.04 -0.21 0.00 0.00 0.00 0.00 17.79 17.53 1f2k h ALA 1015CO 0.00 0.34 -0.77 0.14 0.00 0.00 0.00 179.25 178.97 1f2k s VAL 1016N -3.14 1.00 -0.12 0.00 -7.23 -1.26 -4.11 120.40 105.53 1f2k s VAL 1016Ca 0.05 -1.28 0.22 0.00 -1.81 0.00 0.00 61.98 59.15 1f2k s VAL 1016Cb 0.07 -1.00 -0.19 0.00 0.56 0.00 0.00 36.38 35.82 1f2k s VAL 1016CO 0.70 -0.27 0.70 0.35 -0.31 0.00 0.00 175.10 176.27 1f2k n THR 1017N 1.28 0.40 -3.74 5.32 -2.24 0.26 -4.55 114.28 111.00 1f2k n THR 1017Ca -0.21 -0.55 -0.14 0.00 -2.27 0.00 0.00 64.05 60.88 1f2k n THR 1017Cb 0.54 -0.21 -0.09 0.00 -2.10 0.00 0.00 70.33 68.48 1f2k n THR 1017CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1f2k s GLN 1018N -3.36 0.66 0.01 -0.78 -0.21 -1.12 -5.00 119.66 109.86 1f2k s GLN 1018Ca -0.05 -0.07 -0.27 0.00 0.02 0.00 0.00 55.36 55.00 1f2k s GLN 1018Cb 0.11 0.30 0.06 0.00 1.00 0.00 0.00 33.01 34.49 1f2k s GLN 1018CO 0.85 -0.17 0.61 0.00 -2.12 0.00 0.00 175.29 174.46 1f2k s ALA 1019N -1.11 -1.58 0.12 6.09 0.00 -1.26 -0.50 121.76 123.52 1f2k s ALA 1019Ca -0.12 0.95 -0.05 0.00 0.00 0.00 0.00 51.96 52.74 1f2k s ALA 1019Cb -0.05 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 1f2k s ALA 1019CO 0.04 -0.47 0.14 0.00 0.00 0.00 0.00 175.76 175.47 1f2k s ALA 1020N -1.95 0.33 -0.07 0.00 0.00 0.32 -0.96 121.76 119.42 1f2k s ALA 1020Ca -0.08 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 50.81 1f2k s ALA 1020Cb -0.01 0.69 0.02 0.00 0.00 0.00 0.00 23.12 23.82 1f2k s ALA 1020CO 0.03 -0.52 -0.08 0.42 0.00 0.00 0.00 175.76 175.61 1f2k s ILE 1021N -3.97 0.89 0.23 0.00 1.01 -0.67 -0.95 121.20 117.74 1f2k s ILE 1021Ca 0.15 -0.29 0.11 0.00 0.00 0.00 0.00 60.65 60.63 1f2k s ILE 1021Cb 0.06 -0.87 -0.05 0.00 0.01 0.00 0.00 42.46 41.61 1f2k s ILE 1021CO -0.03 0.32 -0.19 -0.51 0.00 0.00 0.00 174.94 174.52 1f2k s ILE 1022N 1.11 2.57 0.68 2.92 1.10 0.09 0.67 121.20 130.34 1f2k s ILE 1022Ca -0.07 -2.10 -0.08 0.00 -0.51 0.00 0.00 60.65 57.89 1f2k s ILE 1022Cb -0.14 -2.29 0.04 0.00 0.15 0.00 0.00 42.46 40.21 1f2k s ILE 1022CO -0.01 -0.23 1.02 -0.83 -2.11 0.00 0.00 174.94 172.78 1f2k s GLY 1023N -3.03 1.63 0.00 1.50 0.00 0.24 -0.27 107.32 107.39 1f2k s GLY 1023Ca 0.25 -0.69 0.07 0.00 0.00 0.00 0.00 44.72 44.35 1f2k s GLY 1023CO 0.13 -0.32 0.99 1.42 0.00 0.00 0.00 173.10 175.32 1f2k n HIS 1024N -2.89 0.00 0.57 1.90 8.25 -1.23 -0.45 115.22 121.38 1f2k n HIS 1024Ca 0.07 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.64 1f2k n HIS 1024Cb 0.59 -0.16 0.15 0.00 1.12 0.00 0.00 29.99 31.68 1f2k n HIS 1024CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1f2k n ASP 1025N -1.16 3.11 0.00 0.41 5.75 -1.26 -4.85 116.55 118.54 1f2k n ASP 1025Ca 0.04 -1.94 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 1f2k n ASP 1025Cb 0.04 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 1f2k n ASP 1025CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1f2k n GLY 1026N 1.31 1.47 3.77 6.12 0.00 0.41 -4.33 105.19 113.94 1f2k n GLY 1026Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1f2k n GLY 1026CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f2k s ASN 1027N -3.21 7.41 0.01 1.61 0.01 -1.26 -4.38 114.94 115.13 1f2k s ASN 1027Ca 0.00 1.67 -0.30 0.00 -0.71 0.00 0.00 52.86 53.51 1f2k s ASN 1027Cb 0.00 -2.51 -0.06 0.00 0.41 0.00 0.00 41.25 39.09 1f2k s ASN 1027CO 0.00 0.19 1.57 -0.89 -1.51 0.00 0.00 177.10 176.45 1f2k s THR 1028N -1.06 3.43 -0.01 1.60 2.01 -1.26 -0.59 115.64 119.76 1f2k s THR 1028Ca 0.37 0.76 -0.02 0.00 0.31 0.00 0.00 61.69 63.11 1f2k s THR 1028Cb -0.23 -3.49 -0.27 0.00 0.01 0.00 0.00 72.50 68.52 1f2k s THR 1028CO 0.27 -0.02 0.82 -0.50 -0.69 0.00 0.00 174.62 174.49 1f2k h TRP 1029N 8.51 0.40 -2.99 4.92 4.06 -0.08 -3.47 115.95 127.30 1f2k h TRP 1029Ca -0.40 -0.30 -0.02 0.00 2.06 0.00 0.00 58.89 60.24 1f2k h TRP 1029Cb 1.19 -0.02 -0.12 0.00 -1.00 0.00 0.00 29.16 29.21 1f2k h TRP 1029CO 0.80 1.37 0.21 0.00 -3.56 0.00 0.00 178.44 177.26 1f2k s ALA 1030N -2.61 -1.60 0.01 1.49 0.00 -1.14 -4.87 121.76 113.03 1f2k s ALA 1030Ca -0.09 0.50 -0.18 0.00 0.00 0.00 0.00 51.96 52.19 1f2k s ALA 1030Cb 0.07 0.88 0.03 0.00 0.00 0.00 0.00 23.12 24.10 1f2k s ALA 1030CO 0.84 -0.77 0.39 -0.08 0.00 0.00 0.00 175.76 176.15 1f2k s THR 1031N -3.73 0.05 0.51 0.00 -1.32 -1.26 -1.67 115.64 108.23 1f2k s THR 1031Ca 0.01 -0.43 -0.20 0.00 -1.21 0.00 0.00 61.69 59.87 1f2k s THR 1031Cb -0.01 -0.81 -0.07 0.00 -1.51 0.00 0.00 72.50 70.09 1f2k s THR 1031CO -0.13 -0.24 1.06 -0.94 -2.21 0.00 0.00 174.62 172.17 1f2k s SER 1032N -1.61 6.12 -0.41 8.08 1.04 -0.14 -4.89 113.70 121.89 1f2k s SER 1032Ca -0.10 1.98 -0.45 0.00 0.48 0.00 0.00 55.95 57.86 1f2k s SER 1032Cb -0.03 -2.56 -0.19 0.00 0.10 0.00 0.00 66.02 63.34 1f2k s SER 1032CO 0.02 -0.93 1.61 0.00 0.98 0.00 0.00 173.24 174.92 1f2k n ALA 1033N -1.17 -1.16 -1.14 5.32 0.00 -1.26 -1.01 120.51 120.08 1f2k n ALA 1033Ca 0.10 0.48 -0.05 0.00 0.00 0.00 0.00 53.44 53.96 1f2k n ALA 1033Cb 0.52 -1.99 -0.02 0.00 0.00 0.00 0.00 19.45 17.96 1f2k n ALA 1033CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f2k n GLY 1034N 3.92 0.67 3.35 0.00 0.00 -1.26 -4.98 105.19 106.88 1f2k n GLY 1034Ca 0.29 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1f2k n GLY 1034CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1f2k s PHE 1035N -1.85 2.78 -0.07 1.61 5.36 -0.18 -5.10 117.98 120.53 1f2k s PHE 1035Ca 0.00 -0.68 -0.03 0.00 -0.96 0.00 0.00 56.93 55.26 1f2k s PHE 1035Cb 0.00 -1.82 0.04 0.00 -0.34 0.00 0.00 43.02 40.90 1f2k s PHE 1035CO 0.00 -0.23 0.15 0.00 -1.46 0.00 0.00 175.22 173.68 1f2k s ALA 1036N 0.33 -0.26 -0.12 11.12 0.00 -1.26 -4.48 121.76 127.09 1f2k s ALA 1036Ca -0.12 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1f2k s ALA 1036Cb -0.16 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 1f2k s ALA 1036CO 0.06 -0.22 -0.14 0.54 0.00 0.00 0.00 175.76 176.00 1f2k s VAL 1037N 1.35 3.02 0.60 0.00 0.11 -1.26 -4.09 120.40 120.12 1f2k s VAL 1037Ca -0.07 -0.68 -0.19 0.00 -2.93 0.00 0.00 61.98 58.10 1f2k s VAL 1037Cb -0.12 -2.25 -0.03 0.00 -1.53 0.00 0.00 36.38 32.45 1f2k s VAL 1037CO -0.06 0.53 1.24 -0.94 -3.33 0.00 0.00 175.10 172.55 1f2k s SER 1038N 0.20 5.09 0.40 3.54 1.04 -1.26 -4.79 113.70 117.93 1f2k s SER 1038Ca -0.08 2.48 0.10 0.00 0.48 0.00 0.00 55.95 58.93 1f2k s SER 1038Cb -0.15 -2.61 0.81 0.00 0.10 0.00 0.00 66.02 64.17 1f2k s SER 1038CO 0.05 -1.66 1.93 -0.65 0.98 0.00 0.00 173.24 173.88 1f2k h PRO 1039N 0.91 0.20 0.76 4.02 0.11 -1.97 -0.63 132.00 135.39 1f2k h PRO 1039Ca -0.51 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.52 1f2k h PRO 1039Cb 1.31 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 32.40 1f2k h PRO 1039CO 0.55 0.35 -0.37 0.00 -0.21 0.00 0.00 178.00 178.32 1f2k h ALA 1040N 1.67 -1.02 -0.91 -0.75 0.00 -1.91 -1.89 119.26 114.45 1f2k h ALA 1040Ca 0.04 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.77 1f2k h ALA 1040Cb 0.37 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 1f2k h ALA 1040CO 0.02 -0.97 0.58 -0.91 0.00 0.00 0.00 179.25 177.97 1f2k h ASN 1041N -1.22 0.93 -0.43 0.00 2.35 -1.82 -2.63 115.58 112.75 1f2k h ASN 1041Ca -0.10 0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.71 1f2k h ASN 1041Cb 0.80 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.93 1f2k h ASN 1041CO 0.17 0.60 0.14 1.23 -1.65 0.00 0.00 177.43 177.92 1f2k h GLY 1042N 1.07 0.55 0.98 2.83 0.00 -1.06 -0.37 103.07 107.07 1f2k h GLY 1042Ca 0.39 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.64 1f2k h GLY 1042CO -0.16 0.01 0.21 0.00 0.00 0.00 0.00 176.54 176.60 1f2k h ALA 1043N 1.29 0.45 -0.40 3.60 0.00 -1.05 0.20 119.26 123.35 1f2k h ALA 1043Ca 0.20 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1f2k h ALA 1043Cb 0.21 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1f2k h ALA 1043CO -0.22 -0.04 0.08 0.00 0.00 0.00 0.00 179.25 179.06 1f2k h ALA 1044N 1.08 0.44 -0.12 0.00 0.00 -1.07 0.49 119.26 120.09 1f2k h ALA 1044Ca 0.13 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1f2k h ALA 1044Cb 0.01 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1f2k h ALA 1044CO -0.02 -0.32 0.04 1.25 0.00 0.00 0.00 179.25 180.19 1f2k h LEU 1045N 0.21 0.04 -0.75 0.00 5.85 -0.54 -0.37 115.31 119.76 1f2k h LEU 1045Ca 0.20 0.01 0.13 0.00 0.84 0.00 0.00 57.88 59.05 1f2k h LEU 1045Cb 0.24 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.19 1f2k h LEU 1045CO -0.26 0.04 0.33 0.00 -0.34 0.00 0.00 178.44 178.21 1f2k h ALA 1046N 1.07 1.05 -0.64 1.25 0.00 0.12 -0.99 119.26 121.12 1f2k h ALA 1046Ca 0.05 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1f2k h ALA 1046Cb 0.03 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1f2k h ALA 1046CO -0.05 -0.16 0.21 -0.97 0.00 0.00 0.00 179.25 178.29 1f2k h ASN 1047N 0.50 0.89 -1.03 0.00 -1.24 0.13 -2.98 115.58 111.84 1f2k h ASN 1047Ca 0.40 -0.14 0.26 0.00 0.71 0.00 0.00 56.30 57.53 1f2k h ASN 1047Cb 0.55 -0.23 -0.11 0.00 0.73 0.00 0.00 38.32 39.27 1f2k h ASN 1047CO -0.36 0.82 0.65 0.00 -1.29 0.00 0.00 177.43 177.25 1f2k h ALA 1048N 1.30 2.07 -0.15 1.57 0.00 0.29 0.41 119.26 124.74 1f2k h ALA 1048Ca 0.21 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 1f2k h ALA 1048Cb 0.24 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1f2k h ALA 1048CO -0.01 -0.51 -0.12 0.74 0.00 0.00 0.00 179.25 179.35 1f2k h PHE 1049N 0.46 0.25 0.01 0.00 0.04 -1.44 -2.36 116.94 113.90 1f2k h PHE 1049Ca 0.62 -0.03 -0.11 0.00 2.80 0.00 0.00 57.97 61.25 1f2k h PHE 1049Cb 1.42 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 39.48 1f2k h PHE 1049CO -0.00 0.36 -0.61 0.87 -0.60 0.00 0.00 178.31 178.33 1f2k h LYS 1050N 0.23 0.02 -3.12 1.51 1.79 -0.67 -3.39 116.57 112.93 1f2k h LYS 1050Ca 0.05 -0.04 -0.55 0.00 -2.18 0.00 0.00 60.65 57.93 1f2k h LYS 1050Cb 0.36 0.01 -0.40 0.00 -1.58 0.00 0.00 32.23 30.62 1f2k h LYS 1050CO 0.02 1.02 -0.77 0.34 -1.08 0.00 0.00 179.45 178.98 1f2k s ASP 1051N -6.54 3.69 0.20 0.86 3.68 0.11 -5.01 116.67 113.66 1f2k s ASP 1051Ca -0.23 -1.40 0.23 0.00 2.13 0.00 0.00 52.55 53.28 1f2k s ASP 1051Cb 0.01 -0.56 0.91 0.00 -1.45 0.00 0.00 42.92 41.83 1f2k s ASP 1051CO 0.66 -0.42 1.70 0.00 0.13 0.00 0.00 175.17 177.23 1f2k n ALA 1052N 5.08 1.80 -0.33 3.66 0.00 -0.90 -4.05 120.51 125.78 1f2k n ALA 1052Ca -0.05 0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 1f2k n ALA 1052Cb 0.42 -1.38 -0.08 0.00 0.00 0.00 0.00 19.45 18.41 1f2k n ALA 1052CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1f2k h THR 1053N 0.00 0.01 -0.26 0.00 2.02 -1.95 0.24 112.91 112.97 1f2k h THR 1053Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 1f2k h THR 1053Cb 0.42 0.01 -0.06 0.00 -1.74 0.00 0.00 68.15 66.78 1f2k h THR 1053CO 0.00 0.00 -0.14 0.00 0.37 0.00 0.00 175.52 175.75 1f2k h ALA 1054N 0.50 0.05 0.00 6.16 0.00 -1.98 -2.77 119.26 121.23 1f2k h ALA 1054Ca 0.17 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 1f2k h ALA 1054Cb 0.49 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1f2k h ALA 1054CO -0.84 -0.55 -0.55 -0.84 0.00 0.00 0.00 179.25 176.46 1f2k h ILE 1055N -0.12 1.36 -0.59 0.00 3.07 -1.49 -2.80 117.51 116.94 1f2k h ILE 1055Ca 0.14 -1.92 -0.05 0.00 1.55 0.00 0.00 64.86 64.58 1f2k h ILE 1055Cb 0.33 2.04 -0.03 0.00 -0.27 0.00 0.00 36.82 38.90 1f2k h ILE 1055CO -0.33 0.54 0.15 0.03 -1.05 0.00 0.00 178.15 177.49 1f2k h ARG 1056N 0.00 0.91 0.11 0.16 3.08 -0.35 1.51 114.38 119.80 1f2k h ARG 1056Ca -0.01 -0.19 -0.27 0.00 0.07 0.00 0.00 59.98 59.58 1f2k h ARG 1056Cb 1.00 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.92 1f2k h ARG 1056CO 0.07 0.81 -1.24 0.66 -1.07 0.00 0.00 179.97 179.20 1f2k h SER 1057N 0.87 0.36 0.00 7.04 4.64 -1.34 -3.38 113.55 121.75 1f2k h SER 1057Ca 0.19 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1f2k h SER 1057Cb 0.31 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1f2k h SER 1057CO -0.00 1.32 0.00 0.59 -0.87 0.00 0.00 176.83 177.86 1f2k n ASN 1058N -3.50 1.40 0.00 4.97 3.02 -1.07 -5.12 115.26 114.97 1f2k n ASN 1058Ca -0.08 -1.43 0.00 0.00 -0.03 0.00 0.00 54.58 53.04 1f2k n ASN 1058Cb 1.02 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.19 1f2k n ASN 1058CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1f2k n GLY 1059N -0.21 0.78 3.51 7.41 0.00 0.52 -4.91 105.19 112.28 1f2k n GLY 1059Ca 0.00 -0.81 -0.16 0.00 0.00 0.00 0.00 46.02 45.06 1f2k n GLY 1059CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1f2k s PHE 1060N 0.00 -0.59 0.02 1.61 -0.71 -0.89 -4.24 117.98 113.19 1f2k s PHE 1060Ca 0.00 0.90 -0.00 0.00 -1.04 0.00 0.00 56.93 56.78 1f2k s PHE 1060Cb 0.00 0.45 -0.04 0.00 -1.21 0.00 0.00 43.02 42.22 1f2k s PHE 1060CO 0.00 -0.61 0.14 -1.21 -1.34 0.00 0.00 175.22 172.19 1f2k s GLU 1061N -1.68 3.22 -0.24 1.99 2.02 -1.26 -0.85 118.70 121.90 1f2k s GLU 1061Ca -0.07 -0.46 -0.03 0.00 0.02 0.00 0.00 54.97 54.42 1f2k s GLU 1061Cb -0.00 -2.94 0.13 0.00 0.10 0.00 0.00 34.13 31.41 1f2k s GLU 1061CO 0.04 0.63 0.42 -0.51 0.02 0.00 0.00 175.26 175.86 1f2k s LEU 1062N -2.07 -0.73 -1.24 1.80 1.02 -0.68 -4.79 118.68 111.98 1f2k s LEU 1062Ca 0.28 0.48 -0.04 0.00 0.02 0.00 0.00 54.13 54.87 1f2k s LEU 1062Cb -0.12 1.31 -0.01 0.00 0.02 0.00 0.00 46.19 47.38 1f2k s LEU 1062CO 0.20 -0.28 0.77 0.00 0.02 0.00 0.00 176.35 177.05 1f2k n ALA 1063N 5.38 -2.15 0.00 4.21 0.00 -1.26 -3.15 120.51 123.54 1f2k n ALA 1063Ca -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1f2k n ALA 1063Cb 0.50 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 17.19 1f2k n ALA 1063CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f2k n GLY 1064N -1.50 1.82 3.79 0.00 0.00 -1.26 -4.98 105.19 103.05 1f2k n GLY 1064Ca -0.24 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 1f2k n GLY 1064CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f2k s THR 1065N -0.15 3.49 0.06 2.61 2.01 -1.19 -5.06 115.64 117.41 1f2k s THR 1065Ca 0.00 0.84 0.05 0.00 0.31 0.00 0.00 61.69 62.89 1f2k s THR 1065Cb 0.00 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 1f2k s THR 1065CO 0.00 -0.28 -0.04 -0.60 -0.69 0.00 0.00 174.62 173.00 1f2k s ARG 1066N -3.56 2.47 0.14 4.92 6.06 -1.26 -1.68 118.95 126.04 1f2k s ARG 1066Ca 0.68 -0.83 0.04 0.00 -2.50 0.00 0.00 55.73 53.13 1f2k s ARG 1066Cb -0.20 -2.48 -0.04 0.00 0.06 0.00 0.00 34.95 32.29 1f2k s ARG 1066CO 0.29 0.56 -0.10 0.71 -2.50 0.00 0.00 175.30 174.26 1f2k s TYR 1067N -1.17 1.22 -0.15 5.12 2.02 -0.03 -4.84 117.35 119.52 1f2k s TYR 1067Ca 0.22 -0.76 -0.01 0.00 -0.37 0.00 0.00 57.07 56.14 1f2k s TYR 1067Cb -0.11 -0.63 -0.02 0.00 -0.40 0.00 0.00 41.96 40.80 1f2k s TYR 1067CO 0.13 0.06 -0.10 0.08 -1.57 0.00 0.00 175.55 174.15 1f2k s VAL 1068N -3.26 3.30 -0.22 0.71 1.01 -1.03 -2.09 120.40 118.82 1f2k s VAL 1068Ca 0.15 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 1f2k s VAL 1068Cb 0.02 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1f2k s VAL 1068CO 0.00 0.51 1.85 -0.89 0.00 0.00 0.00 175.10 176.56 1f2k s THR 1069N 0.48 3.40 -0.24 3.92 2.01 -1.26 -1.37 115.64 122.58 1f2k s THR 1069Ca -0.07 0.43 -0.15 0.00 0.31 0.00 0.00 61.69 62.21 1f2k s THR 1069Cb -0.15 -3.45 -0.16 0.00 0.01 0.00 0.00 72.50 68.74 1f2k s THR 1069CO 0.04 -0.23 -0.07 -0.38 -0.69 0.00 0.00 174.62 173.29 1f2k n ILE 1070N 6.92 1.55 -4.86 1.82 5.41 -0.17 -4.97 119.36 125.06 1f2k n ILE 1070Ca 0.23 -0.29 -0.28 0.00 1.00 0.00 0.00 62.75 63.41 1f2k n ILE 1070Cb 0.45 -1.89 -0.15 0.00 -0.71 0.00 0.00 39.64 37.34 1f2k n ILE 1070CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1f2k s ARG 1071N -2.46 1.63 -0.31 0.38 3.52 -1.10 -4.99 118.95 115.62 1f2k s ARG 1071Ca -0.33 -0.94 0.05 0.00 -0.13 0.00 0.00 55.73 54.38 1f2k s ARG 1071Cb 0.10 -1.70 0.18 0.00 -1.56 0.00 0.00 34.95 31.98 1f2k s ARG 1071CO 0.56 0.45 0.54 0.00 -0.81 0.00 0.00 175.30 176.03 1f2k s ALA 1072N -0.71 -1.99 0.00 6.12 0.00 -1.25 -1.98 121.76 121.95 1f2k s ALA 1072Ca 0.09 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1f2k s ALA 1072Cb -0.09 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.61 1f2k s ALA 1072CO 0.01 -1.87 0.00 -0.40 0.00 0.00 0.00 175.76 173.50 1f2k n ASP 1073N 5.24 1.15 -0.22 0.00 5.68 -0.05 -4.99 116.55 123.36 1f2k n ASP 1073Ca 0.05 -0.31 0.07 0.00 -0.50 0.00 0.00 54.79 54.10 1f2k n ASP 1073Cb 0.53 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.85 1f2k n ASP 1073CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1f2k n ASP 1074N -0.57 0.65 0.00 -1.12 5.75 -1.26 -3.93 116.55 116.08 1f2k n ASP 1074Ca 0.00 -1.69 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 1f2k n ASP 1074Cb 0.00 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 1f2k n ASP 1074CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1f2k n ARG 1075N -0.28 0.40 -4.61 0.11 0.63 -1.26 -4.91 116.66 106.74 1f2k n ARG 1075Ca 0.11 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.79 1f2k n ARG 1075Cb 0.15 -0.82 -0.14 0.00 0.45 0.00 0.00 32.46 32.10 1f2k n ARG 1075CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1f2k s SER 1076N -3.41 2.53 -0.06 6.15 0.01 -1.25 -0.35 113.70 117.31 1f2k s SER 1076Ca 0.00 -0.55 -0.03 0.00 1.31 0.00 0.00 55.95 56.69 1f2k s SER 1076Cb 0.00 -0.20 0.04 0.00 0.21 0.00 0.00 66.02 66.06 1f2k s SER 1076CO 0.00 0.15 0.10 -0.69 0.41 0.00 0.00 173.24 173.21 1f2k s VAL 1077N -0.85 -0.17 -0.03 3.43 1.01 -0.62 -0.87 120.40 122.31 1f2k s VAL 1077Ca 0.08 0.40 0.07 0.00 0.00 0.00 0.00 61.98 62.53 1f2k s VAL 1077Cb -0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 1f2k s VAL 1077CO 0.02 0.17 -0.24 -0.31 0.00 0.00 0.00 175.10 174.74 1f2k s TYR 1078N 2.21 2.22 0.26 5.22 1.51 -0.84 -0.84 117.35 127.10 1f2k s TYR 1078Ca 0.04 -0.48 0.11 0.00 -1.01 0.00 0.00 57.07 55.73 1f2k s TYR 1078Cb -0.12 -1.44 -0.05 0.00 -0.11 0.00 0.00 41.96 40.24 1f2k s TYR 1078CO -0.04 -0.08 -0.19 0.20 -1.11 0.00 0.00 175.55 174.33 1f2k s GLY 1079N -0.46 1.78 0.02 0.71 0.00 -0.61 -1.00 107.32 107.77 1f2k s GLY 1079Ca 0.06 -1.82 -0.04 0.00 0.00 0.00 0.00 44.72 42.92 1f2k s GLY 1079CO 0.00 -1.92 0.06 -1.59 0.00 0.00 0.00 173.10 169.65 1f2k s LYS 1080N -3.53 0.47 -0.39 2.90 -2.85 -0.47 -2.07 119.74 113.80 1f2k s LYS 1080Ca 0.28 -0.66 0.05 0.00 -1.00 0.00 0.00 55.97 54.64 1f2k s LYS 1080Cb -0.04 0.18 0.16 0.00 -2.06 0.00 0.00 37.83 36.08 1f2k s LYS 1080CO 0.13 -0.10 0.46 0.21 0.10 0.00 0.00 175.35 176.15 1f2k s LYS 1081N -2.03 0.72 5.60 1.78 2.20 -1.07 -2.46 119.74 124.48 1f2k s LYS 1081Ca -0.10 -0.74 0.00 0.00 -0.36 0.00 0.00 55.97 54.77 1f2k s LYS 1081Cb -0.05 -0.49 0.00 0.00 -1.51 0.00 0.00 37.83 35.78 1f2k s LYS 1081CO -0.02 -1.21 0.00 0.41 -0.36 0.00 0.00 175.35 174.17 1f2k n GLY 1082N 4.19 2.42 0.28 5.54 0.00 -1.26 -1.94 105.19 114.43 1f2k n GLY 1082Ca 0.12 -0.48 0.17 0.00 0.00 0.00 0.00 46.02 45.83 1f2k n GLY 1082CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1f2k h SER 1083N 9.52 0.00 -3.43 1.61 0.02 -1.96 -3.44 113.55 115.87 1f2k h SER 1083Ca 0.00 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.72 1f2k h SER 1083Cb 0.00 0.00 0.08 0.00 0.14 0.00 0.00 62.40 62.62 1f2k h SER 1083CO 0.00 0.04 0.17 0.00 -1.14 0.00 0.00 176.83 175.90 1f2k n ALA 1084N -2.13 -0.51 0.00 3.77 0.00 -0.82 -4.15 120.51 116.67 1f2k n ALA 1084Ca -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.50 1f2k n ALA 1084Cb 0.26 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.73 1f2k n ALA 1084CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f2k n GLY 1085N 0.65 -0.27 2.83 0.00 0.00 -1.12 -2.59 105.19 104.69 1f2k n GLY 1085Ca 0.09 -1.25 -0.14 0.00 0.00 0.00 0.00 46.02 44.72 1f2k n GLY 1085CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f2k s VAL 1086N -2.00 0.02 -0.25 1.61 0.11 -0.88 -1.62 120.40 117.39 1f2k s VAL 1086Ca 0.00 0.08 -0.07 0.00 -2.93 0.00 0.00 61.98 59.06 1f2k s VAL 1086Cb 0.00 -0.08 -0.03 0.00 -1.53 0.00 0.00 36.38 34.74 1f2k s VAL 1086CO 0.00 0.06 0.07 -0.63 -3.33 0.00 0.00 175.10 171.27 1f2k s ILE 1087N 0.51 4.31 0.02 7.04 -1.09 0.19 -1.57 121.20 130.61 1f2k s ILE 1087Ca -0.04 -0.17 0.07 0.00 -2.23 0.00 0.00 60.65 58.28 1f2k s ILE 1087Cb -0.07 -3.02 -0.02 0.00 -1.58 0.00 0.00 42.46 37.78 1f2k s ILE 1087CO -0.01 0.34 -0.22 0.42 -1.23 0.00 0.00 174.94 174.24 1f2k s THR 1088N 1.60 1.76 0.01 2.92 -4.23 -0.02 -0.83 115.64 116.85 1f2k s THR 1088Ca 0.06 -1.11 0.01 0.00 -1.18 0.00 0.00 61.69 59.47 1f2k s THR 1088Cb -0.15 -1.50 -0.01 0.00 1.34 0.00 0.00 72.50 72.18 1f2k s THR 1088CO 0.04 0.35 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.74 1f2k s VAL 1089N -0.68 0.26 -0.24 2.29 1.01 -0.57 -1.58 120.40 120.90 1f2k s VAL 1089Ca 0.09 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 1f2k s VAL 1089Cb -0.09 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1f2k s VAL 1089CO 0.01 -0.10 0.11 -0.75 0.00 0.00 0.00 175.10 174.37 1f2k s LYS 1090N -0.55 3.87 0.32 2.72 2.20 0.53 0.12 119.74 128.95 1f2k s LYS 1090Ca -0.04 -0.37 0.04 0.00 -0.36 0.00 0.00 55.97 55.25 1f2k s LYS 1090Cb -0.04 -3.42 0.04 0.00 -1.51 0.00 0.00 37.83 32.90 1f2k s LYS 1090CO -0.00 -0.04 0.36 0.25 -0.36 0.00 0.00 175.35 175.56 1f2k n THR 1091N 4.52 0.00 -0.34 3.43 -2.24 0.11 -4.90 114.28 114.86 1f2k n THR 1091Ca -0.15 -1.15 -0.04 0.00 -2.27 0.00 0.00 64.05 60.43 1f2k n THR 1091Cb 0.52 -0.51 0.09 0.00 -2.10 0.00 0.00 70.33 68.33 1f2k n THR 1091CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1f2k h SER 1092N 0.19 1.13 0.00 3.42 0.87 -1.85 -3.34 113.55 113.98 1f2k h SER 1092Ca -0.17 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 1f2k h SER 1092Cb 0.71 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1f2k h SER 1092CO 0.26 0.90 -0.90 0.29 -0.53 0.00 0.00 176.83 176.85 1f2k n LYS 1093N -4.34 2.22 -1.55 2.24 4.76 0.31 -5.00 118.16 116.81 1f2k n LYS 1093Ca 0.10 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 1f2k n LYS 1093Cb 0.09 -1.04 0.00 0.00 -1.84 0.00 0.00 35.03 32.24 1f2k n LYS 1093CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1f2k n ALA 1094N -1.50 0.00 -3.75 7.82 0.00 -1.22 -3.52 120.51 118.33 1f2k n ALA 1094Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1f2k n ALA 1094Cb 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.46 1f2k n ALA 1094CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1f2k s ILE 1095N -1.75 -0.07 0.09 0.00 1.01 0.63 -0.72 121.20 120.40 1f2k s ILE 1095Ca 0.00 0.23 -0.11 0.00 0.00 0.00 0.00 60.65 60.77 1f2k s ILE 1095Cb 0.00 -0.14 -0.06 0.00 0.01 0.00 0.00 42.46 42.27 1f2k s ILE 1095CO 0.00 0.09 0.43 -0.76 0.00 0.00 0.00 174.94 174.70 1f2k s LEU 1096N 1.22 4.35 -0.08 2.97 1.43 0.32 -0.73 118.68 128.16 1f2k s LEU 1096Ca -0.08 0.84 -0.01 0.00 -1.03 0.00 0.00 54.13 53.85 1f2k s LEU 1096Cb -0.13 -3.02 0.03 0.00 0.03 0.00 0.00 46.19 43.10 1f2k s LEU 1096CO -0.04 0.16 -0.01 -0.63 0.23 0.00 0.00 176.35 176.07 1f2k s ILE 1097N -1.40 0.47 -0.08 -0.59 1.01 -0.13 -1.50 121.20 118.98 1f2k s ILE 1097Ca 0.34 0.05 -0.00 0.00 0.00 0.00 0.00 60.65 61.03 1f2k s ILE 1097Cb -0.14 -0.62 0.02 0.00 0.01 0.00 0.00 42.46 41.74 1f2k s ILE 1097CO 0.18 0.26 -0.05 -0.83 0.00 0.00 0.00 174.94 174.51 1f2k s GLY 1098N 1.93 0.60 0.04 6.18 0.00 -0.01 -0.52 107.32 115.55 1f2k s GLY 1098Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.51 1f2k s GLY 1098CO -0.06 0.76 0.14 -1.34 0.00 0.00 0.00 173.10 172.60 1f2k s VAL 1099N 1.49 5.02 0.09 1.40 -7.23 0.35 0.54 120.40 122.05 1f2k s VAL 1099Ca -0.01 -0.47 0.03 0.00 -1.81 0.00 0.00 61.98 59.71 1f2k s VAL 1099Cb -0.13 -3.39 -0.04 0.00 0.56 0.00 0.00 36.38 33.38 1f2k s VAL 1099CO -0.04 0.21 -0.08 -0.72 -0.31 0.00 0.00 175.10 174.16 1f2k s TYR 1100N -1.38 0.92 0.41 2.82 -0.85 -0.64 0.92 117.35 119.55 1f2k s TYR 1100Ca 0.30 -0.76 0.03 0.00 -0.52 0.00 0.00 57.07 56.11 1f2k s TYR 1100Cb -0.13 -0.52 0.03 0.00 0.38 0.00 0.00 41.96 41.72 1f2k s TYR 1100CO 0.22 -0.08 0.22 0.27 -1.52 0.00 0.00 175.55 174.66 1f2k n ASN 1101N 0.37 2.57 -0.32 -0.18 0.23 -1.26 -2.77 115.26 113.91 1f2k n ASN 1101Ca -0.15 -2.54 -0.03 0.00 -0.53 0.00 0.00 54.58 51.33 1f2k n ASN 1101Cb 0.59 0.06 -0.00 0.00 -2.08 0.00 0.00 39.78 38.35 1f2k n ASN 1101CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1f2k n GLU 1102N -1.34 -0.24 0.00 -3.83 1.02 -1.26 -0.17 120.64 114.82 1f2k n GLU 1102Ca -0.06 1.22 0.00 0.00 -0.02 0.00 0.00 57.16 58.30 1f2k n GLU 1102Cb 0.49 -1.81 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 1f2k n GLU 1102CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1f2k n LYS 1103N -5.12 0.00 -4.75 3.49 4.01 -1.26 -4.70 118.16 109.83 1f2k n LYS 1103Ca 0.06 0.41 -0.33 0.00 -0.51 0.00 0.00 58.31 57.94 1f2k n LYS 1103Cb 0.28 -1.57 -0.12 0.00 -0.51 0.00 0.00 35.03 33.12 1f2k n LYS 1103CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1f2k s ILE 1104N -2.81 3.40 -0.25 -0.18 1.01 0.76 -5.08 121.20 118.04 1f2k s ILE 1104Ca 0.00 -0.60 -0.29 0.00 0.00 0.00 0.00 60.65 59.76 1f2k s ILE 1104Cb 0.00 -2.36 -0.01 0.00 0.01 0.00 0.00 42.46 40.09 1f2k s ILE 1104CO 0.00 0.59 1.47 -1.10 0.00 0.00 0.00 174.94 175.90 1f2k s GLN 1105N -0.76 3.87 0.22 2.79 -1.52 -1.26 -4.78 119.66 118.22 1f2k s GLN 1105Ca 0.12 1.49 -0.17 0.00 -1.95 0.00 0.00 55.36 54.85 1f2k s GLN 1105Cb -0.11 -3.96 0.24 0.00 -0.22 0.00 0.00 33.01 28.96 1f2k s GLN 1105CO 0.01 -1.19 1.57 -1.35 -0.25 0.00 0.00 175.29 174.08 1f2k h PRO 1106N 9.98 -0.05 0.00 2.91 0.11 -1.93 0.58 132.00 143.60 1f2k h PRO 1106Ca -0.30 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.81 1f2k h PRO 1106Cb 1.13 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1f2k h PRO 1106CO 1.01 -0.03 -0.01 0.78 -0.21 0.00 0.00 178.00 179.54 1f2k h GLY 1107N -0.05 0.00 1.14 -0.55 0.00 -1.99 -0.84 103.07 100.79 1f2k h GLY 1107Ca 0.33 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.47 1f2k h GLY 1107CO -0.88 0.00 -0.54 -0.84 0.00 0.00 0.00 176.54 174.29 1f2k h THR 1108N 0.00 1.27 -0.12 4.70 2.02 -0.22 -2.37 112.91 118.20 1f2k h THR 1108Ca -0.00 -1.72 -0.15 0.00 0.77 0.00 0.00 66.41 65.31 1f2k h THR 1108Cb 0.17 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 1f2k h THR 1108CO 0.00 0.56 -0.59 0.00 0.37 0.00 0.00 175.52 175.87 1f2k h ALA 1109N 0.68 0.77 -0.49 6.16 0.00 -0.63 -2.81 119.26 122.95 1f2k h ALA 1109Ca 0.02 -0.53 -0.12 0.00 0.00 0.00 0.00 54.91 54.28 1f2k h ALA 1109Cb 1.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1f2k h ALA 1109CO 0.12 0.71 -0.15 0.00 0.00 0.00 0.00 179.25 179.93 1f2k h ALA 1110N 1.08 0.68 -0.19 0.00 0.00 -1.24 -2.36 119.26 117.25 1f2k h ALA 1110Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1f2k h ALA 1110Cb 1.11 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1f2k h ALA 1110CO 0.10 0.63 0.12 -0.91 0.00 0.00 0.00 179.25 179.19 1f2k h ASN 1111N 0.83 0.22 0.43 0.00 2.35 -1.37 -0.56 115.58 117.49 1f2k h ASN 1111Ca 0.12 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 1f2k h ASN 1111Cb 0.72 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.04 1f2k h ASN 1111CO 0.06 0.17 -0.21 0.58 -1.65 0.00 0.00 177.43 176.37 1f2k h VAL 1112N 0.25 0.58 -0.10 2.81 2.07 -1.33 -0.65 116.25 119.89 1f2k h VAL 1112Ca 0.07 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.58 1f2k h VAL 1112Cb -0.02 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1f2k h VAL 1112CO -0.01 0.00 0.01 0.58 0.02 0.00 0.00 177.57 178.17 1f2k h VAL 1113N -0.59 0.95 0.00 2.57 2.07 -1.38 -0.98 116.25 118.89 1f2k h VAL 1113Ca -0.06 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 1f2k h VAL 1113Cb 0.45 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1f2k h VAL 1113CO 0.10 0.01 -0.17 -0.33 0.02 0.00 0.00 177.57 177.19 1f2k h GLU 1114N 0.05 0.00 -0.25 1.57 4.39 -1.08 -1.47 114.58 117.78 1f2k h GLU 1114Ca 0.04 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.58 1f2k h GLU 1114Cb 0.04 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1f2k h GLU 1114CO -0.06 0.17 -0.52 -0.22 -1.16 0.00 0.00 179.01 177.22 1f2k h LYS 1115N 0.00 0.72 -0.25 2.33 3.64 -0.41 -2.29 116.57 120.31 1f2k h LYS 1115Ca -0.00 -0.44 -0.12 0.00 -1.27 0.00 0.00 60.65 58.82 1f2k h LYS 1115Cb 0.34 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1f2k h LYS 1115CO 0.02 1.06 -0.35 1.25 -2.27 0.00 0.00 179.45 179.17 1f2k h LEU 1116N 0.56 0.58 -0.44 5.20 5.85 -0.50 -2.74 115.31 123.82 1f2k h LEU 1116Ca 0.02 -0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.41 1f2k h LEU 1116Cb 1.09 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1f2k h LEU 1116CO 0.11 0.88 -0.08 0.00 -0.34 0.00 0.00 178.44 179.00 1f2k h ALA 1117N 1.16 0.61 -0.64 1.25 0.00 -1.20 -1.21 119.26 119.22 1f2k h ALA 1117Ca 0.05 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1f2k h ALA 1117Cb 0.82 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1f2k h ALA 1117CO 0.07 0.48 0.29 -0.44 0.00 0.00 0.00 179.25 179.64 1f2k h ASP 1118N 0.67 0.83 0.35 0.00 3.32 -1.32 0.15 116.42 120.42 1f2k h ASP 1118Ca 0.11 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1f2k h ASP 1118Cb 0.61 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1f2k h ASP 1118CO 0.04 0.72 -0.17 0.22 -1.72 0.00 0.00 179.24 178.33 1f2k h TYR 1119N 0.91 -0.44 -0.39 4.55 3.20 -1.16 -1.24 116.97 122.40 1f2k h TYR 1119Ca 0.22 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.12 1f2k h TYR 1119Cb 0.13 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.51 1f2k h TYR 1119CO 0.01 -0.17 0.17 -0.07 -1.64 0.00 0.00 178.16 176.46 1f2k h LEU 1120N -0.65 0.22 -0.95 2.82 3.38 -0.94 -1.30 115.31 117.89 1f2k h LEU 1120Ca -0.05 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.03 1f2k h LEU 1120Cb 0.47 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 1f2k h LEU 1120CO 0.08 0.17 0.60 0.40 0.09 0.00 0.00 178.44 179.77 1f2k h ILE 1121N 0.35 1.03 0.00 1.22 2.04 -0.64 0.22 117.51 121.73 1f2k h ILE 1121Ca 0.17 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1f2k h ILE 1121Cb 0.11 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 1f2k h ILE 1121CO -0.14 0.19 0.00 0.61 0.00 0.00 0.00 178.15 178.81 1f2k n GLY 1122N -1.35 -0.67 0.35 5.37 0.00 -0.48 -2.34 105.19 106.07 1f2k n GLY 1122Ca 0.15 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.15 1f2k n GLY 1122CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1f2k n GLN 1123N -0.73 2.77 -0.85 1.61 1.13 0.71 -4.96 117.38 117.07 1f2k n GLN 1123Ca 0.07 -1.97 0.00 0.00 -1.94 0.00 0.00 57.00 53.17 1f2k n GLN 1123Cb 0.03 -1.24 0.00 0.00 0.11 0.00 0.00 30.24 29.14 1f2k n GLN 1123CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1f2k n GLY 1124N -0.20 0.82 0.84 1.08 0.00 -0.99 -5.07 105.19 101.68 1f2k n GLY 1124Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1f2k n GLY 1124CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01