#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oec n ASP 1005N 0.00 0.34 -4.21 6.43 9.92 0.06 -4.87 116.55 124.22 2oec n ASP 1005Ca 0.00 0.54 -0.12 0.00 -0.53 0.00 0.00 54.79 54.68 2oec n ASP 1005Cb 0.00 -0.63 -0.10 0.00 -0.64 0.00 0.00 41.12 39.75 2oec n ASP 1005CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2oec s VAL 1006N -3.07 0.83 0.03 2.53 -7.23 -1.24 -5.05 120.40 107.20 2oec s VAL 1006Ca 0.11 -1.98 0.13 0.00 -1.81 0.00 0.00 61.98 58.43 2oec s VAL 1006Cb 0.14 -1.80 -0.01 0.00 0.56 0.00 0.00 36.38 35.27 2oec s VAL 1006CO 0.50 -0.77 1.48 0.15 -0.31 0.00 0.00 175.10 176.14 2oec h PHE 1007N 2.87 0.00 0.00 2.82 3.57 -1.95 -3.39 116.94 120.86 2oec h PHE 1007Ca -0.36 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 60.99 2oec h PHE 1007Cb 1.18 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 2oec h PHE 1007CO 0.60 0.62 -1.52 0.72 -2.23 0.00 0.00 178.31 176.50 2oec n HIS 1008N -3.38 0.00 0.21 0.41 8.25 -1.26 -4.80 115.22 114.65 2oec n HIS 1008Ca 0.01 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.53 2oec n HIS 1008Cb 0.73 -0.33 0.44 0.00 1.12 0.00 0.00 29.99 31.94 2oec n HIS 1008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2oec h LEU 1009N -0.30 0.00 -0.47 2.41 3.38 -1.93 -3.44 115.31 114.96 2oec h LEU 1009Ca -0.23 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.56 2oec h LEU 1009Cb 1.22 0.00 0.05 0.00 0.09 0.00 0.00 40.66 42.01 2oec h LEU 1009CO -0.13 0.31 -0.28 0.61 0.09 0.00 0.00 178.44 179.04 2oec n GLY 1010N -0.14 0.25 3.43 0.83 0.00 -1.26 -4.61 105.19 103.68 2oec n GLY 1010Ca -0.01 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 2oec n GLY 1010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2oec s LEU 1011N -3.47 2.50 0.25 0.99 1.43 -1.26 -4.08 118.68 115.05 2oec s LEU 1011Ca 0.20 -0.94 0.10 0.00 -1.03 0.00 0.00 54.13 52.46 2oec s LEU 1011Cb -0.09 -1.08 -0.04 0.00 0.03 0.00 0.00 46.19 45.01 2oec s LEU 1011CO 0.25 0.05 -0.08 -0.89 0.23 0.00 0.00 176.35 175.91 2oec s THR 1012N -2.12 3.11 0.27 5.49 2.01 -1.26 -0.76 115.64 122.37 2oec s THR 1012Ca 0.24 -2.01 -0.00 0.00 0.31 0.00 0.00 61.69 60.23 2oec s THR 1012Cb -0.06 -2.63 0.25 0.00 0.01 0.00 0.00 72.50 70.07 2oec s THR 1012CO 0.11 -0.33 1.77 0.11 -0.69 0.00 0.00 174.62 175.60 2oec h LYS 1013N 2.21 0.67 -0.98 4.92 6.56 -1.97 -1.85 116.57 126.13 2oec h LYS 1013Ca -0.44 -0.04 0.11 0.00 -1.06 0.00 0.00 60.65 59.22 2oec h LYS 1013Cb 1.24 -0.15 -0.08 0.00 -0.57 0.00 0.00 32.23 32.67 2oec h LYS 1013CO 0.59 0.44 0.62 -0.97 -2.06 0.00 0.00 179.45 178.06 2oec h ASN 1014N 0.69 0.92 -0.88 0.86 -1.24 -1.95 -0.19 115.58 113.79 2oec h ASN 1014Ca 0.47 0.04 0.20 0.00 0.71 0.00 0.00 56.30 57.72 2oec h ASN 1014Cb 0.64 -0.15 -0.06 0.00 0.73 0.00 0.00 38.32 39.48 2oec h ASN 1014CO -0.34 0.52 0.58 0.44 -1.29 0.00 0.00 177.43 177.34 2oec h ASP 1015N 1.01 0.37 0.57 1.15 3.32 -1.73 -2.02 116.42 119.09 2oec h ASP 1015Ca 0.47 0.04 -0.15 0.00 0.02 0.00 0.00 57.03 57.41 2oec h ASP 1015Cb 0.40 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 2oec h ASP 1015CO -0.24 0.15 -0.69 -0.07 -1.72 0.00 0.00 179.24 176.67 2oec h LEU 1016N 0.38 0.12 -1.09 1.55 4.07 -1.07 -3.48 115.31 115.78 2oec h LEU 1016Ca 0.45 -0.08 -0.36 0.00 0.08 0.00 0.00 57.88 57.97 2oec h LEU 1016Cb 1.16 -0.03 0.14 0.00 1.08 0.00 0.00 40.66 43.01 2oec h LEU 1016CO -0.16 0.76 -0.68 0.00 -1.08 0.00 0.00 178.44 177.29 2oec n GLN 1017N -3.76 -7.30 -1.07 1.13 1.13 -0.76 -2.33 117.38 104.41 2oec n GLN 1017Ca -0.02 0.80 -0.02 0.00 -1.94 0.00 0.00 57.00 55.82 2oec n GLN 1017Cb 0.67 -5.75 -0.01 0.00 0.11 0.00 0.00 30.24 25.26 2oec n GLN 1017CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2oec n GLY 1018N -1.72 0.57 3.75 1.08 0.00 -1.26 -4.58 105.19 103.03 2oec n GLY 1018Ca -0.07 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 2oec n GLY 1018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oec s ALA 1019N -2.02 3.58 -0.03 4.61 0.00 -0.98 -4.82 121.76 122.10 2oec s ALA 1019Ca 0.00 1.26 0.01 0.00 0.00 0.00 0.00 51.96 53.23 2oec s ALA 1019Cb 0.00 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 2oec s ALA 1019CO 0.00 -0.67 0.03 1.04 0.00 0.00 0.00 175.76 176.16 2oec n GLN 1020N 2.21 4.73 -4.83 0.00 6.02 -1.26 -4.31 117.38 119.93 2oec n GLN 1020Ca 0.06 -0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.73 2oec n GLN 1020Cb 0.41 -0.68 -0.14 0.00 1.02 0.00 0.00 30.24 30.85 2oec n GLN 1020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2oec s LEU 1021N -2.35 2.46 -0.02 1.08 0.20 -1.26 -0.27 118.68 118.53 2oec s LEU 1021Ca 0.00 -0.43 0.03 0.00 0.69 0.00 0.00 54.13 54.42 2oec s LEU 1021Cb 0.01 -1.45 -0.00 0.00 -0.43 0.00 0.00 46.19 44.31 2oec s LEU 1021CO 0.04 0.28 -0.10 0.00 -0.29 0.00 0.00 176.35 176.28 2oec s ALA 1022N -0.83 0.88 -0.21 5.97 0.00 -0.26 -2.18 121.76 125.12 2oec s ALA 1022Ca 0.13 -0.40 -0.13 0.00 0.00 0.00 0.00 51.96 51.56 2oec s ALA 1022Cb -0.10 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 2oec s ALA 1022CO 0.03 0.18 0.28 0.42 0.00 0.00 0.00 175.76 176.67 2oec s ILE 1023N -0.05 5.28 -0.41 0.00 1.01 0.71 -0.93 121.20 126.82 2oec s ILE 1023Ca 0.01 0.46 0.03 0.00 0.00 0.00 0.00 60.65 61.15 2oec s ILE 1023Cb -0.06 -3.62 0.11 0.00 0.01 0.00 0.00 42.46 38.91 2oec s ILE 1023CO 0.00 0.31 0.15 0.68 0.00 0.00 0.00 174.94 176.08 2oec s VAL 1024N 1.12 2.12 0.81 2.92 -7.23 0.47 -1.51 120.40 119.10 2oec s VAL 1024Ca 0.14 -2.60 -0.10 0.00 -1.81 0.00 0.00 61.98 57.60 2oec s VAL 1024Cb -0.14 -2.53 0.11 0.00 0.56 0.00 0.00 36.38 34.38 2oec s VAL 1024CO 0.06 -0.71 1.15 -2.16 -0.31 0.00 0.00 175.10 173.13 2oec s PRO 1025N 0.51 1.64 -0.17 4.82 0.04 -1.24 -3.02 135.00 137.58 2oec s PRO 1025Ca 0.14 -0.27 -0.17 0.00 0.04 0.00 0.00 61.00 60.74 2oec s PRO 1025Cb -0.22 -2.03 -0.22 0.00 0.04 0.00 0.00 34.50 32.08 2oec s PRO 1025CO -0.06 -1.70 0.29 0.78 0.04 0.00 0.00 177.00 176.35 2oec h GLY 1026N -1.03 0.11 -5.04 0.56 0.00 -1.84 0.18 103.07 96.02 2oec h GLY 1026Ca -0.44 -0.28 -0.58 0.00 0.00 0.00 0.00 47.33 46.03 2oec h GLY 1026CO 0.54 0.24 0.78 -0.35 0.00 0.00 0.00 176.54 177.75 2oec s ASP 1027N -6.92 7.11 0.45 0.19 2.15 -1.26 -1.05 116.67 117.34 2oec s ASP 1027Ca -0.26 1.40 0.15 0.00 0.43 0.00 0.00 52.55 54.27 2oec s ASP 1027Cb 0.06 -2.54 1.08 0.00 -0.30 0.00 0.00 42.92 41.21 2oec s ASP 1027CO 0.66 -0.65 1.98 1.55 -0.17 0.00 0.00 175.17 178.54 2oec h PRO 1028N 7.42 0.35 0.00 4.34 0.13 -1.90 -2.68 132.00 139.66 2oec h PRO 1028Ca -0.20 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2oec h PRO 1028Cb 1.07 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2oec h PRO 1028CO 0.97 0.23 0.00 0.39 -0.23 0.00 0.00 178.00 179.36 2oec n GLU 1029N -4.46 0.64 0.00 0.86 1.02 -1.26 -2.24 120.64 115.19 2oec n GLU 1029Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2oec n GLU 1029Cb 0.40 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 2oec n GLU 1029CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2oec n ARG 1030N -0.94 0.16 0.10 3.49 1.85 -1.01 -4.68 116.66 115.62 2oec n ARG 1030Ca 0.13 -0.68 -0.13 0.00 -1.00 0.00 0.00 57.85 56.18 2oec n ARG 1030Cb 0.06 -0.91 -0.07 0.00 -1.05 0.00 0.00 32.46 30.49 2oec n ARG 1030CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2oec h VAL 1031N 0.30 0.89 -0.94 8.89 2.07 -1.52 -1.47 116.25 124.47 2oec h VAL 1031Ca 0.00 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.56 2oec h VAL 1031Cb 0.24 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 2oec h VAL 1031CO 0.00 0.00 0.61 -0.08 0.02 0.00 0.00 177.57 178.13 2oec h GLU 1032N -0.16 1.08 -0.35 1.57 4.81 -1.84 0.74 114.58 120.43 2oec h GLU 1032Ca -0.02 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.05 2oec h GLU 1032Cb 0.12 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 2oec h GLU 1032CO 0.03 0.72 -0.20 0.87 -0.73 0.00 0.00 179.01 179.69 2oec h LYS 1033N 1.11 0.67 -0.18 1.92 1.79 -1.76 -0.35 116.57 119.78 2oec h LYS 1033Ca 0.40 -0.25 -0.12 0.00 -2.18 0.00 0.00 60.65 58.50 2oec h LYS 1033Cb 0.14 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 2oec h LYS 1033CO -0.15 0.82 -0.37 0.82 -1.08 0.00 0.00 179.45 179.49 2oec h ILE 1034N 0.59 1.34 -0.68 1.86 2.04 -0.75 -3.18 117.51 118.73 2oec h ILE 1034Ca 0.09 -1.62 0.10 0.00 1.00 0.00 0.00 64.86 64.43 2oec h ILE 1034Cb 0.66 1.93 -0.04 0.00 -0.74 0.00 0.00 36.82 38.63 2oec h ILE 1034CO 0.05 0.50 0.45 0.00 0.00 0.00 0.00 178.15 179.15 2oec h ALA 1035N 0.58 1.94 0.00 1.87 0.00 -0.58 -1.55 119.26 121.51 2oec h ALA 1035Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2oec h ALA 1035Cb 0.97 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2oec h ALA 1035CO 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.25 2oec n ALA 1036N -2.49 1.96 0.91 0.00 0.00 -0.16 -1.80 120.51 118.92 2oec n ALA 1036Ca 0.11 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.60 2oec n ALA 1036Cb 0.37 -1.29 0.40 0.00 0.00 0.00 0.00 19.45 18.93 2oec n ALA 1036CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2oec n LEU 1037N -1.29 0.35 0.00 0.00 4.77 -0.58 -4.91 117.00 115.34 2oec n LEU 1037Ca 0.08 0.28 -0.24 0.00 -0.03 0.00 0.00 56.01 56.11 2oec n LEU 1037Cb 0.14 -0.35 -0.04 0.00 -2.33 0.00 0.00 43.42 40.85 2oec n LEU 1037CO 0.14 0.03 -0.11 0.23 -1.33 0.00 0.00 177.39 176.34 2oec n MET 1038N -1.64 0.99 -2.62 3.23 2.81 -0.75 -5.13 117.12 114.01 2oec n MET 1038Ca 0.06 -2.82 -0.31 0.00 -1.81 0.00 0.00 57.70 52.82 2oec n MET 1038Cb 0.36 0.62 -0.03 0.00 -0.71 0.00 0.00 33.22 33.45 2oec n MET 1038CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2oec s ASP 1039N -3.28 6.59 -1.43 7.83 1.01 0.03 -4.43 116.67 122.99 2oec s ASP 1039Ca 0.07 1.37 -0.13 0.00 0.71 0.00 0.00 52.55 54.58 2oec s ASP 1039Cb -0.01 -2.43 0.02 0.00 1.01 0.00 0.00 42.92 41.52 2oec s ASP 1039CO 0.05 -0.49 0.25 0.29 0.21 0.00 0.00 175.17 175.48 2oec n LYS 1040N -1.42 -0.72 -2.03 8.23 5.02 -1.26 -0.47 118.16 125.52 2oec n LYS 1040Ca 0.05 0.08 -0.42 0.00 -2.02 0.00 0.00 58.31 56.00 2oec n LYS 1040Cb 0.54 -3.20 -0.03 0.00 -0.02 0.00 0.00 35.03 32.32 2oec n LYS 1040CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2oec s PRO 1041N -7.41 4.24 -0.05 1.97 0.04 -1.26 -4.43 135.00 128.09 2oec s PRO 1041Ca 0.18 2.23 0.01 0.00 0.04 0.00 0.00 61.00 63.45 2oec s PRO 1041Cb -0.10 -3.42 0.02 0.00 0.04 0.00 0.00 34.50 31.04 2oec s PRO 1041CO 0.99 -0.62 -0.04 0.54 0.04 0.00 0.00 177.00 177.91 2oec s VAL 1042N 1.94 0.55 0.40 -0.36 0.11 0.12 -4.98 120.40 118.17 2oec s VAL 1042Ca 0.69 -0.09 -0.26 0.00 -2.93 0.00 0.00 61.98 59.39 2oec s VAL 1042Cb -0.39 -0.60 -0.09 0.00 -1.53 0.00 0.00 36.38 33.78 2oec s VAL 1042CO 0.31 0.24 1.31 -0.75 -3.33 0.00 0.00 175.10 172.88 2oec s LYS 1043N 1.17 3.99 -0.09 1.54 2.20 -1.26 -0.05 119.74 127.24 2oec s LYS 1043Ca -0.07 2.17 -0.07 0.00 -0.36 0.00 0.00 55.97 57.64 2oec s LYS 1043Cb -0.14 -2.78 -0.04 0.00 -1.51 0.00 0.00 37.83 33.36 2oec s LYS 1043CO -0.01 -0.48 -0.16 1.28 -0.36 0.00 0.00 175.35 175.62 2oec n LEU 1044N 0.17 1.12 -3.60 5.43 4.77 0.85 -4.82 117.00 120.92 2oec n LEU 1044Ca 0.03 0.18 -0.07 0.00 -0.03 0.00 0.00 56.01 56.12 2oec n LEU 1044Cb 0.43 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2oec n LEU 1044CO 0.56 -0.05 0.62 0.00 -1.33 0.00 0.00 177.39 177.19 2oec s ALA 1045N -2.30 -1.66 -0.30 -1.18 0.00 -0.93 -4.99 121.76 110.40 2oec s ALA 1045Ca -0.16 0.49 0.04 0.00 0.00 0.00 0.00 51.96 52.33 2oec s ALA 1045Cb 0.05 0.63 0.17 0.00 0.00 0.00 0.00 23.12 23.97 2oec s ALA 1045CO 0.21 -0.85 0.47 0.45 0.00 0.00 0.00 175.76 176.04 2oec s SER 1046N -2.72 -0.28 -0.02 0.00 0.15 -1.26 -0.36 113.70 109.21 2oec s SER 1046Ca 0.07 -0.27 0.05 0.00 0.70 0.00 0.00 55.95 56.50 2oec s SER 1046Cb -0.02 1.41 -0.01 0.00 -1.71 0.00 0.00 66.02 65.69 2oec s SER 1046CO -0.05 -0.33 -0.15 -1.00 1.20 0.00 0.00 173.24 172.91 2oec s HIS 1047N 2.57 1.40 0.00 3.44 3.76 -0.76 -4.98 115.29 120.72 2oec s HIS 1047Ca 0.10 -0.30 0.00 0.00 -0.15 0.00 0.00 55.06 54.72 2oec s HIS 1047Cb -0.11 -0.92 0.00 0.00 1.11 0.00 0.00 32.58 32.66 2oec s HIS 1047CO -0.27 -0.05 0.00 0.54 -0.85 0.00 0.00 174.74 174.11 2oec n ARG 1048N 2.81 0.00 -0.04 1.40 1.74 -1.26 -0.72 116.66 120.60 2oec n ARG 1048Ca -0.15 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.04 2oec n ARG 1048Cb 0.54 0.00 0.51 0.00 -1.02 0.00 0.00 32.46 32.49 2oec n ARG 1048CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2oec n GLU 1049N 14.00 1.46 -3.37 5.56 4.71 -1.26 -4.72 120.64 137.03 2oec n GLU 1049Ca 0.00 -0.68 -0.45 0.00 -0.01 0.00 0.00 57.16 56.02 2oec n GLU 1049Cb 0.00 -1.40 -0.05 0.00 -1.01 0.00 0.00 31.44 28.98 2oec n GLU 1049CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 2oec s PHE 1050N -1.91 3.38 -0.22 -0.32 0.08 0.10 -4.04 117.98 115.05 2oec s PHE 1050Ca 0.34 -1.55 -0.06 0.00 0.12 0.00 0.00 56.93 55.77 2oec s PHE 1050Cb 0.17 -3.73 -0.03 0.00 -0.57 0.00 0.00 43.02 38.86 2oec s PHE 1050CO 0.28 -1.01 0.04 0.99 -0.10 0.00 0.00 175.22 175.42 2oec s THR 1051N 1.26 4.18 -0.08 0.64 2.01 -1.26 -1.82 115.64 120.57 2oec s THR 1051Ca 0.06 -0.23 0.05 0.00 0.31 0.00 0.00 61.69 61.89 2oec s THR 1051Cb -0.26 -2.92 -0.01 0.00 0.01 0.00 0.00 72.50 69.33 2oec s THR 1051CO 0.00 0.39 -0.24 -0.94 -0.69 0.00 0.00 174.62 173.14 2oec s SER 1052N 1.25 3.15 0.15 3.53 1.04 0.51 -2.36 113.70 120.97 2oec s SER 1052Ca 0.04 -0.51 0.08 0.00 0.48 0.00 0.00 55.95 56.04 2oec s SER 1052Cb -0.15 -1.09 -0.04 0.00 0.10 0.00 0.00 66.02 64.84 2oec s SER 1052CO 0.02 0.21 -0.19 0.26 0.98 0.00 0.00 173.24 174.52 2oec s TRP 1053N 0.03 1.81 -0.01 5.02 0.52 0.33 -0.10 118.94 126.54 2oec s TRP 1053Ca -0.09 -0.45 0.04 0.00 0.02 0.00 0.00 56.10 55.61 2oec s TRP 1053Cb -0.15 -0.93 -0.03 0.00 -1.15 0.00 0.00 33.47 31.20 2oec s TRP 1053CO 0.06 0.29 -0.10 0.50 0.02 0.00 0.00 176.95 177.72 2oec s ARG 1054N -2.53 2.47 0.15 4.98 3.52 0.92 -1.05 118.95 127.42 2oec s ARG 1054Ca 0.13 -0.75 0.03 0.00 -0.13 0.00 0.00 55.73 55.02 2oec s ARG 1054Cb -0.07 -2.43 -0.01 0.00 -1.56 0.00 0.00 34.95 30.88 2oec s ARG 1054CO 0.06 0.60 0.12 0.00 -0.81 0.00 0.00 175.30 175.28 2oec n ALA 1055N 1.79 0.32 -3.28 6.12 0.00 0.28 0.12 120.51 125.86 2oec n ALA 1055Ca -0.16 -0.89 -0.15 0.00 0.00 0.00 0.00 53.44 52.24 2oec n ALA 1055Cb 0.52 0.71 -0.15 0.00 0.00 0.00 0.00 19.45 20.54 2oec n ALA 1055CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2oec s GLU 1056N -2.62 0.13 -0.09 0.00 2.12 0.38 -1.00 118.70 117.62 2oec s GLU 1056Ca 0.18 0.03 -0.00 0.00 0.36 0.00 0.00 54.97 55.54 2oec s GLU 1056Cb 0.01 -0.24 0.02 0.00 0.26 0.00 0.00 34.13 34.18 2oec s GLU 1056CO 0.12 -0.06 -0.06 -1.17 -0.54 0.00 0.00 175.26 173.56 2oec s LEU 1057N 0.49 1.10 -1.65 2.70 2.96 0.11 -0.79 118.68 123.59 2oec s LEU 1057Ca -0.04 -0.22 -0.15 0.00 -0.22 0.00 0.00 54.13 53.50 2oec s LEU 1057Cb -0.07 -0.68 0.13 0.00 0.50 0.00 0.00 46.19 46.07 2oec s LEU 1057CO -0.01 -0.11 0.67 0.47 -1.32 0.00 0.00 176.35 176.05 2oec n ASP 1058N 4.75 -2.49 -0.14 3.68 8.00 -1.26 -0.79 116.55 128.31 2oec n ASP 1058Ca -0.14 -1.04 -0.02 0.00 0.71 0.00 0.00 54.79 54.31 2oec n ASP 1058Cb 0.50 -2.69 -0.01 0.00 -0.02 0.00 0.00 41.12 38.90 2oec n ASP 1058CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2oec n GLY 1059N -1.55 0.52 3.39 0.44 0.00 -1.26 -5.02 105.19 101.72 2oec n GLY 1059Ca -0.01 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 2oec n GLY 1059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oec s LYS 1060N -1.20 1.87 0.16 1.61 1.02 0.03 -5.11 119.74 118.12 2oec s LYS 1060Ca 0.00 -1.08 -0.30 0.00 0.02 0.00 0.00 55.97 54.60 2oec s LYS 1060Cb 0.00 -2.05 -0.08 0.00 -0.52 0.00 0.00 37.83 35.18 2oec s LYS 1060CO 0.00 0.52 1.24 0.00 -0.92 0.00 0.00 175.35 176.19 2oec s ALA 1061N -0.87 3.46 -0.01 5.17 0.00 -1.26 0.06 121.76 128.31 2oec s ALA 1061Ca 0.13 0.98 0.04 0.00 0.00 0.00 0.00 51.96 53.11 2oec s ALA 1061Cb -0.10 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 2oec s ALA 1061CO 0.04 -0.44 -0.12 0.08 0.00 0.00 0.00 175.76 175.32 2oec s VAL 1062N 0.29 0.94 -0.12 0.00 1.01 -0.17 -4.27 120.40 118.09 2oec s VAL 1062Ca 0.56 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.98 2oec s VAL 1062Cb -0.33 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 2oec s VAL 1062CO 0.35 0.27 0.07 -0.63 0.00 0.00 0.00 175.10 175.16 2oec s ILE 1063N -0.26 4.94 -0.18 2.22 -1.09 -0.93 -0.56 121.20 125.35 2oec s ILE 1063Ca 0.04 -0.00 -0.00 0.00 -2.23 0.00 0.00 60.65 58.46 2oec s ILE 1063Cb -0.05 -3.14 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 2oec s ILE 1063CO -0.00 0.59 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.46 2oec s VAL 1064N -0.75 2.59 -0.07 2.92 1.01 -0.22 -0.21 120.40 125.68 2oec s VAL 1064Ca 0.12 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 2oec s VAL 1064Cb -0.12 -2.11 0.04 0.00 0.00 0.00 0.00 36.38 34.19 2oec s VAL 1064CO 0.03 0.50 0.16 0.00 0.00 0.00 0.00 175.10 175.79 2oec s SER 1066N 1.42 6.89 -0.08 0.00 1.04 -0.99 -3.58 113.70 118.39 2oec s SER 1066Ca -0.07 1.88 0.20 0.00 0.48 0.00 0.00 55.95 58.45 2oec s SER 1066Cb -0.12 -2.57 -0.29 0.00 0.10 0.00 0.00 66.02 63.14 2oec s SER 1066CO -0.06 -0.40 0.36 0.35 0.98 0.00 0.00 173.24 174.48 2oec n THR 1067N -0.21 0.53 -0.20 2.02 -2.24 0.65 -4.43 114.28 110.41 2oec n THR 1067Ca 0.05 -0.63 0.03 0.00 -2.27 0.00 0.00 64.05 61.23 2oec n THR 1067Cb 0.51 -0.19 -0.01 0.00 -2.10 0.00 0.00 70.33 68.54 2oec n THR 1067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oec n GLY 1068N 1.43 -1.40 3.69 3.38 0.00 -0.22 -3.50 105.19 108.57 2oec n GLY 1068Ca -0.14 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 2oec n GLY 1068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2oec s ILE 1069N -1.23 4.89 0.00 -0.61 1.01 -1.26 -4.69 121.20 119.31 2oec s ILE 1069Ca 0.00 1.76 0.00 0.00 0.00 0.00 0.00 60.65 62.41 2oec s ILE 1069Cb 0.00 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.28 2oec s ILE 1069CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.63 2oec n GLY 1070N 3.22 2.40 0.31 6.18 0.00 -1.26 -4.72 105.19 111.32 2oec n GLY 1070Ca 0.05 -1.85 -0.01 0.00 0.00 0.00 0.00 46.02 44.21 2oec n GLY 1070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2oec h GLY 1071N 0.00 1.22 0.77 -0.02 0.00 -1.86 -2.53 103.07 100.65 2oec h GLY 1071Ca 0.00 -0.38 0.05 0.00 0.00 0.00 0.00 47.33 46.99 2oec h GLY 1071CO 0.00 0.29 0.40 -2.55 0.00 0.00 0.00 176.54 174.68 2oec h PRO 1072N 0.97 0.73 0.04 4.80 0.11 -1.94 0.56 132.00 137.28 2oec h PRO 1072Ca 0.35 -0.04 -0.24 0.00 0.11 0.00 0.00 66.00 66.17 2oec h PRO 1072Cb 0.09 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 2oec h PRO 1072CO -0.14 0.49 -1.18 0.66 -0.21 0.00 0.00 178.00 177.61 2oec h SER 1073N 0.76 0.15 -0.69 -2.05 4.64 -1.80 -2.63 113.55 111.92 2oec h SER 1073Ca 0.29 -0.17 0.03 0.00 -0.47 0.00 0.00 61.79 61.47 2oec h SER 1073Cb 0.11 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 62.11 2oec h SER 1073CO -0.15 1.14 0.42 0.74 -0.87 0.00 0.00 176.83 178.11 2oec h THR 1074N 0.03 1.08 -0.20 2.95 2.02 -1.07 -0.99 112.91 116.73 2oec h THR 1074Ca -0.09 -0.28 -0.06 0.00 0.77 0.00 0.00 66.41 66.75 2oec h THR 1074Cb 1.87 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 2oec h THR 1074CO 0.15 0.15 -0.14 0.77 0.37 0.00 0.00 175.52 176.82 2oec h SER 1075N 0.83 0.31 0.23 4.18 4.64 0.24 0.11 113.55 124.09 2oec h SER 1075Ca 0.28 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 2oec h SER 1075Cb 0.04 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2oec h SER 1075CO -0.12 0.48 -0.11 0.40 -0.87 0.00 0.00 176.83 176.61 2oec h ILE 1076N 0.31 0.83 -0.03 0.95 2.04 -1.08 -2.32 117.51 118.21 2oec h ILE 1076Ca 0.06 -0.70 0.04 0.00 1.00 0.00 0.00 64.86 65.26 2oec h ILE 1076Cb 0.43 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.68 2oec h ILE 1076CO 0.03 0.15 -0.26 0.00 0.00 0.00 0.00 178.15 178.06 2oec h ALA 1077N -0.04 -0.33 -0.21 1.87 0.00 -0.84 -1.85 119.26 117.86 2oec h ALA 1077Ca -0.03 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.91 2oec h ALA 1077Cb 0.48 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2oec h ALA 1077CO 0.05 -0.75 0.05 0.28 0.00 0.00 0.00 179.25 178.88 2oec h VAL 1078N -0.38 0.91 -0.37 0.00 2.07 -1.08 -0.06 116.25 117.35 2oec h VAL 1078Ca 0.07 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.55 2oec h VAL 1078Cb 0.48 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2oec h VAL 1078CO -0.25 0.02 0.24 -0.08 0.02 0.00 0.00 177.57 177.52 2oec h GLU 1079N 0.13 0.49 -0.03 1.57 4.57 -1.23 1.00 114.58 121.08 2oec h GLU 1079Ca 0.10 -0.03 -0.21 0.00 -1.18 0.00 0.00 59.36 58.03 2oec h GLU 1079Cb 0.09 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 2oec h GLU 1079CO -0.12 0.34 -0.87 0.93 -1.18 0.00 0.00 179.01 178.11 2oec h GLU 1080N 0.49 0.44 -0.73 1.92 5.08 -1.24 -0.63 114.58 119.91 2oec h GLU 1080Ca 0.13 -0.43 0.01 0.00 -1.00 0.00 0.00 59.36 58.08 2oec h GLU 1080Cb -0.04 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 2oec h GLU 1080CO -0.03 1.08 0.48 -0.07 -1.00 0.00 0.00 179.01 179.47 2oec h LEU 1081N 0.27 0.82 -0.48 1.33 3.38 -0.90 -0.60 115.31 119.13 2oec h LEU 1081Ca -0.06 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2oec h LEU 1081Cb 1.49 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 2oec h LEU 1081CO 0.15 0.59 0.32 0.00 0.09 0.00 0.00 178.44 179.59 2oec h ALA 1082N 1.28 0.61 -0.88 1.53 0.00 -0.46 -0.80 119.26 120.54 2oec h ALA 1082Ca 0.27 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.24 2oec h ALA 1082Cb -0.09 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.45 2oec h ALA 1082CO -0.07 0.05 0.54 1.96 0.00 0.00 0.00 179.25 181.72 2oec h GLN 1083N 0.64 0.91 0.00 0.00 4.20 -0.84 -0.15 115.11 119.87 2oec h GLN 1083Ca 0.18 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.84 2oec h GLN 1083Cb -0.06 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.52 2oec h GLN 1083CO -0.05 0.60 0.00 1.28 -0.67 0.00 0.00 178.83 179.99 2oec n LEU 1084N -4.65 0.49 0.00 1.46 4.32 -0.26 -4.85 117.00 113.51 2oec n LEU 1084Ca 0.14 0.63 0.00 0.00 -0.02 0.00 0.00 56.01 56.76 2oec n LEU 1084Cb 0.23 -0.58 0.00 0.00 -1.62 0.00 0.00 43.42 41.45 2oec n LEU 1084CO 0.29 -0.53 0.00 0.61 -1.22 0.00 0.00 177.39 176.54 2oec n GLY 1085N -0.19 0.99 3.73 -0.72 0.00 -0.07 -4.78 105.19 104.15 2oec n GLY 1085Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2oec n GLY 1085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2oec s ILE 1086N -2.00 3.77 -0.02 -0.61 -1.09 -0.44 -4.60 121.20 116.21 2oec s ILE 1086Ca 0.00 1.38 0.02 0.00 -2.23 0.00 0.00 60.65 59.81 2oec s ILE 1086Cb 0.00 -3.88 -0.03 0.00 -1.58 0.00 0.00 42.46 36.97 2oec s ILE 1086CO 0.00 0.17 0.05 0.54 -1.23 0.00 0.00 174.94 174.47 2oec n ARG 1087N 3.20 1.51 -4.72 2.79 5.12 0.63 -4.16 116.66 121.04 2oec n ARG 1087Ca 0.07 -0.01 -0.28 0.00 -1.93 0.00 0.00 57.85 55.69 2oec n ARG 1087Cb 0.45 -0.94 -0.17 0.00 -1.16 0.00 0.00 32.46 30.65 2oec n ARG 1087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2oec s THR 1088N -1.91 1.50 -0.12 0.55 2.01 -0.68 -0.95 115.64 116.03 2oec s THR 1088Ca -0.00 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.34 2oec s THR 1088Cb 0.01 -1.35 0.01 0.00 0.01 0.00 0.00 72.50 71.19 2oec s THR 1088CO 0.08 0.44 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.90 2oec s PHE 1089N 0.68 2.37 -0.26 4.92 0.40 0.58 -1.10 117.98 125.57 2oec s PHE 1089Ca -0.13 -1.16 -0.01 0.00 -0.60 0.00 0.00 56.93 55.02 2oec s PHE 1089Cb -0.16 -1.65 0.03 0.00 0.51 0.00 0.00 43.02 41.75 2oec s PHE 1089CO 0.03 -0.55 -0.05 -0.51 0.70 0.00 0.00 175.22 174.85 2oec s LEU 1090N 0.86 3.36 -0.09 -0.37 1.43 -0.10 -0.84 118.68 122.93 2oec s LEU 1090Ca -0.07 -0.99 -0.23 0.00 -1.03 0.00 0.00 54.13 51.81 2oec s LEU 1090Cb -0.15 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 2oec s LEU 1090CO -0.01 -0.16 0.69 -0.60 0.23 0.00 0.00 176.35 176.50 2oec s ARG 1091N 1.30 4.40 -0.13 1.70 3.52 -0.47 -0.40 118.95 128.87 2oec s ARG 1091Ca -0.01 0.85 -0.01 0.00 -0.13 0.00 0.00 55.73 56.42 2oec s ARG 1091Cb -0.17 -3.47 -0.02 0.00 -1.56 0.00 0.00 34.95 29.73 2oec s ARG 1091CO -0.04 0.01 -0.10 -1.50 -0.81 0.00 0.00 175.30 172.86 2oec s ILE 1092N 0.98 3.30 0.22 4.11 1.10 -1.17 -1.58 121.20 128.17 2oec s ILE 1092Ca 0.36 -0.57 0.01 0.00 -0.51 0.00 0.00 60.65 59.94 2oec s ILE 1092Cb -0.17 -2.40 -0.00 0.00 0.15 0.00 0.00 42.46 40.03 2oec s ILE 1092CO 0.17 0.52 0.26 0.61 -2.11 0.00 0.00 174.94 174.38 2oec n GLY 1093N 3.49 2.83 3.70 1.50 0.00 -0.62 -4.07 105.19 112.01 2oec n GLY 1093Ca -0.18 -1.64 -0.23 0.00 0.00 0.00 0.00 46.02 43.97 2oec n GLY 1093CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2oec s THR 1094N -2.75 3.62 0.16 2.61 -4.23 -1.26 -1.21 115.64 112.57 2oec s THR 1094Ca 0.21 -1.77 -0.16 0.00 -1.18 0.00 0.00 61.69 58.79 2oec s THR 1094Cb 0.00 -2.99 0.03 0.00 1.34 0.00 0.00 72.50 70.88 2oec s THR 1094CO 0.15 -0.35 0.45 0.28 -0.54 0.00 0.00 174.62 174.61 2oec s THR 1095N -2.29 0.05 -0.23 3.99 -1.32 -0.21 -4.81 115.64 110.82 2oec s THR 1095Ca 0.33 -0.70 -0.05 0.00 -1.21 0.00 0.00 61.69 60.05 2oec s THR 1095Cb -0.06 -1.38 -0.01 0.00 -1.51 0.00 0.00 72.50 69.53 2oec s THR 1095CO 0.21 -0.22 -0.01 -0.83 -2.21 0.00 0.00 174.62 171.56 2oec s GLY 1096N -2.84 1.65 0.35 6.08 0.00 -0.78 -1.66 107.32 110.12 2oec s GLY 1096Ca 0.07 -1.14 -0.26 0.00 0.00 0.00 0.00 44.72 43.38 2oec s GLY 1096CO -0.07 0.44 1.08 0.00 0.00 0.00 0.00 173.10 174.54 2oec s ALA 1097N 1.47 3.21 -0.26 3.20 0.00 0.14 -0.38 121.76 129.15 2oec s ALA 1097Ca 0.06 0.80 0.02 0.00 0.00 0.00 0.00 51.96 52.84 2oec s ALA 1097Cb -0.14 -3.30 0.04 0.00 0.00 0.00 0.00 23.12 19.71 2oec s ALA 1097CO -0.01 -0.22 0.78 0.44 0.00 0.00 0.00 175.76 176.75 2oec n ILE 1098N 0.44 0.43 -4.09 0.00 -5.35 -0.54 -0.15 119.36 110.09 2oec n ILE 1098Ca 0.03 -0.71 -0.35 0.00 -0.27 0.00 0.00 62.75 61.44 2oec n ILE 1098Cb 0.47 0.82 -0.09 0.00 -1.74 0.00 0.00 39.64 39.10 2oec n ILE 1098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2oec s GLN 1099N -0.54 3.51 0.64 6.28 -1.52 -1.25 -4.72 119.66 122.06 2oec s GLN 1099Ca 0.04 -0.30 0.40 0.00 -1.95 0.00 0.00 55.36 53.54 2oec s GLN 1099Cb 0.02 -3.07 2.23 0.00 -0.22 0.00 0.00 33.01 31.97 2oec s GLN 1099CO 0.03 0.55 2.33 -1.00 -0.25 0.00 0.00 175.29 176.95 2oec h PRO 1100N 5.72 0.00 -0.01 2.91 0.13 -1.97 -2.66 132.00 136.12 2oec h PRO 1100Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2oec h PRO 1100Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2oec h PRO 1100CO 0.62 0.00 -0.58 -2.39 -0.23 0.00 0.00 178.00 175.42 2oec n HIS 1101N -3.30 0.00 -2.89 1.56 1.44 -1.26 -4.89 115.22 105.87 2oec n HIS 1101Ca -0.03 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.27 2oec n HIS 1101Cb 0.08 -0.06 -0.04 0.00 0.12 0.00 0.00 29.99 30.10 2oec n HIS 1101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2oec s ILE 1102N -2.69 4.91 0.07 0.61 1.01 -1.01 -5.05 121.20 119.06 2oec s ILE 1102Ca 0.16 1.66 -0.07 0.00 0.00 0.00 0.00 60.65 62.40 2oec s ILE 1102Cb 0.18 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 2oec s ILE 1102CO 0.66 0.10 0.34 0.21 0.00 0.00 0.00 174.94 176.24 2oec s ASN 1103N 1.05 6.54 0.25 3.58 2.47 -1.26 -4.87 114.94 122.69 2oec s ASN 1103Ca 0.40 0.63 -0.31 0.00 0.42 0.00 0.00 52.86 54.00 2oec s ASN 1103Cb -0.17 -2.11 -0.12 0.00 -1.45 0.00 0.00 41.25 37.39 2oec s ASN 1103CO 0.16 0.17 1.68 0.55 -3.72 0.00 0.00 177.10 175.94 2oec n VAL 1104N 0.76 0.42 0.00 -5.21 3.14 -1.26 -1.01 118.33 115.16 2oec n VAL 1104Ca -0.08 -0.11 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 2oec n VAL 1104Cb 0.52 -2.00 0.00 0.00 -1.06 0.00 0.00 33.84 31.31 2oec n VAL 1104CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2oec n GLY 1105N 3.23 3.10 3.73 7.55 0.00 0.81 -4.96 105.19 118.66 2oec n GLY 1105Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 2oec n GLY 1105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2oec s ASP 1106N -1.17 4.47 -0.23 1.61 1.11 -0.18 -4.67 116.67 117.60 2oec s ASP 1106Ca 0.00 2.30 -0.08 0.00 0.18 0.00 0.00 52.55 54.95 2oec s ASP 1106Cb 0.00 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.37 2oec s ASP 1106CO 0.00 -2.08 0.09 -0.69 1.18 0.00 0.00 175.17 173.67 2oec s VAL 1107N -1.99 4.66 -0.23 -1.27 1.01 -0.37 -1.75 120.40 120.45 2oec s VAL 1107Ca 0.74 -0.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.60 2oec s VAL 1107Cb -0.28 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 2oec s VAL 1107CO 0.43 0.37 0.02 -0.76 0.00 0.00 0.00 175.10 175.16 2oec s LEU 1108N 1.18 3.24 -0.23 3.92 1.43 -0.27 -0.32 118.68 127.62 2oec s LEU 1108Ca 0.05 -0.26 -0.09 0.00 -1.03 0.00 0.00 54.13 52.80 2oec s LEU 1108Cb -0.14 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 2oec s LEU 1108CO 0.04 -0.01 0.11 -0.69 0.23 0.00 0.00 176.35 176.03 2oec s VAL 1109N 1.42 4.89 -0.29 -1.59 1.01 0.50 -1.66 120.40 124.68 2oec s VAL 1109Ca 0.05 0.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.88 2oec s VAL 1109Cb -0.15 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 2oec s VAL 1109CO 0.01 0.37 0.44 -0.89 0.00 0.00 0.00 175.10 175.03 2oec s THR 1110N 1.10 5.11 0.08 3.92 2.01 -0.77 -1.40 115.64 125.70 2oec s THR 1110Ca 0.06 0.58 -0.06 0.00 0.31 0.00 0.00 61.69 62.58 2oec s THR 1110Cb -0.14 -3.79 -0.27 0.00 0.01 0.00 0.00 72.50 68.31 2oec s THR 1110CO 0.04 0.05 1.17 0.71 -0.69 0.00 0.00 174.62 175.90 2oec h THR 1111N 5.44 1.44 -2.28 -0.82 1.35 -1.36 -3.41 112.91 113.28 2oec h THR 1111Ca -0.30 -2.85 0.11 0.00 -0.55 0.00 0.00 66.41 62.83 2oec h THR 1111Cb 1.15 2.82 -0.15 0.00 -1.73 0.00 0.00 68.15 70.24 2oec h THR 1111CO 0.69 0.84 0.50 0.00 -0.25 0.00 0.00 175.52 177.30 2oec s ALA 1112N -2.82 -1.82 0.05 6.62 0.00 -1.26 -0.94 121.76 121.61 2oec s ALA 1112Ca -0.05 0.98 0.09 0.00 0.00 0.00 0.00 51.96 52.98 2oec s ALA 1112Cb 0.07 0.42 -0.03 0.00 0.00 0.00 0.00 23.12 23.58 2oec s ALA 1112CO 0.89 -0.70 -0.25 -1.12 0.00 0.00 0.00 175.76 174.58 2oec s SER 1113N -2.50 2.95 -0.12 0.00 0.01 -0.53 -1.45 113.70 112.05 2oec s SER 1113Ca 0.05 -0.58 -0.29 0.00 1.31 0.00 0.00 55.95 56.43 2oec s SER 1113Cb -0.01 -0.25 -0.03 0.00 0.21 0.00 0.00 66.02 65.94 2oec s SER 1113CO -0.09 0.22 1.33 -0.69 0.41 0.00 0.00 173.24 174.42 2oec s VAL 1114N -0.83 4.12 -1.14 3.43 1.01 0.24 -4.38 120.40 122.85 2oec s VAL 1114Ca 0.10 1.38 -0.20 0.00 0.00 0.00 0.00 61.98 63.26 2oec s VAL 1114Cb -0.10 -3.89 0.07 0.00 0.00 0.00 0.00 36.38 32.46 2oec s VAL 1114CO 0.02 -0.09 1.55 -0.13 0.00 0.00 0.00 175.10 176.45 2oec s ARG 1115N 3.29 3.77 -0.60 2.72 0.52 -1.26 -1.53 118.95 125.86 2oec s ARG 1115Ca 0.59 -1.57 -0.00 0.00 -0.52 0.00 0.00 55.73 54.23 2oec s ARG 1115Cb -0.25 -5.40 0.48 0.00 0.52 0.00 0.00 34.95 30.31 2oec s ARG 1115CO 0.19 -2.19 1.95 1.28 0.02 0.00 0.00 175.30 176.54 2oec n LEU 1116N 8.46 7.28 -4.63 2.53 4.77 -0.46 -4.95 117.00 130.00 2oec n LEU 1116Ca 0.39 -4.21 -0.29 0.00 -0.03 0.00 0.00 56.01 51.87 2oec n LEU 1116Cb 0.49 -0.90 -0.07 0.00 -2.33 0.00 0.00 43.42 40.60 2oec n LEU 1116CO 0.70 1.45 -0.21 1.51 -1.33 0.00 0.00 177.39 179.51 2oec s ASP 1117N -1.90 3.41 -0.06 -1.43 -4.77 -1.23 -1.45 116.67 109.25 2oec s ASP 1117Ca 0.62 -1.72 0.08 0.00 -3.30 0.00 0.00 52.55 48.23 2oec s ASP 1117Cb 0.50 0.63 -0.11 0.00 -1.09 0.00 0.00 42.92 42.85 2oec s ASP 1117CO 0.01 -0.96 0.08 0.61 0.70 0.00 0.00 175.17 175.61 2oec n GLY 1118N -1.10 -0.39 0.28 2.12 0.00 -1.26 -4.73 105.19 100.11 2oec n GLY 1118Ca -0.12 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 2oec n GLY 1118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oec h ALA 1119N 0.52 0.85 -0.56 4.61 0.00 -1.98 -2.65 119.26 120.05 2oec h ALA 1119Ca -0.14 -0.35 0.12 0.00 0.00 0.00 0.00 54.91 54.54 2oec h ALA 1119Cb 1.12 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2oec h ALA 1119CO 0.01 0.65 0.38 0.66 0.00 0.00 0.00 179.25 180.95 2oec h SER 1120N 0.81 0.20 0.79 0.00 4.64 -1.85 0.12 113.55 118.26 2oec h SER 1120Ca 0.12 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2oec h SER 1120Cb 0.67 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2oec h SER 1120CO 0.05 0.12 0.00 -0.07 -0.87 0.00 0.00 176.83 176.05 2oec h LEU 1121N 0.22 0.00 -0.08 5.97 3.38 -1.59 -1.42 115.31 121.79 2oec h LEU 1121Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2oec h LEU 1121Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2oec h LEU 1121CO -0.05 0.00 -0.00 1.41 0.09 0.00 0.00 178.44 179.89 2oec n HIS 1122N -2.57 0.00 0.00 1.13 8.25 0.43 -4.05 115.22 118.41 2oec n HIS 1122Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2oec n HIS 1122Cb 0.24 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.31 2oec n HIS 1122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2oec n PHE 1123N -0.94 0.00 -3.75 4.41 3.72 -0.66 -5.09 117.46 115.15 2oec n PHE 1123Ca 0.22 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.49 2oec n PHE 1123Cb 0.15 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.60 2oec n PHE 1123CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2oec s ALA 1124N -1.83 -0.85 0.96 4.37 0.00 -0.63 -5.00 121.76 118.78 2oec s ALA 1124Ca 0.00 0.50 -0.11 0.00 0.00 0.00 0.00 51.96 52.35 2oec s ALA 1124Cb 0.00 -0.05 0.17 0.00 0.00 0.00 0.00 23.12 23.25 2oec s ALA 1124CO 0.00 -0.25 1.10 -1.25 0.00 0.00 0.00 175.76 175.36 2oec s PRO 1125N -1.05 0.66 0.59 0.00 0.04 -1.26 -3.94 135.00 130.03 2oec s PRO 1125Ca -0.11 1.16 0.29 0.00 0.04 0.00 0.00 61.00 62.38 2oec s PRO 1125Cb -0.04 -1.71 1.79 0.00 0.04 0.00 0.00 34.50 34.57 2oec s PRO 1125CO 0.04 -2.75 2.25 1.98 0.04 0.00 0.00 177.00 178.56 2oec h MET 1126N -1.93 0.00 -0.24 4.56 4.05 -1.93 -1.25 114.93 118.18 2oec h MET 1126Ca -0.50 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 58.96 2oec h MET 1126Cb 1.29 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.07 2oec h MET 1126CO 0.48 0.00 0.16 0.93 0.23 0.00 0.00 176.91 178.71 2oec h GLU 1127N 0.00 0.17 -6.63 0.39 3.07 -2.03 -3.43 114.58 106.12 2oec h GLU 1127Ca -0.00 -0.01 -0.53 0.00 -0.50 0.00 0.00 59.36 58.32 2oec h GLU 1127Cb 0.00 -0.04 0.03 0.00 -0.84 0.00 0.00 28.75 27.90 2oec h GLU 1127CO 0.00 0.11 0.67 0.12 -1.40 0.00 0.00 179.01 178.51 2oec s PHE 1128N -5.19 3.26 0.21 4.33 2.19 -0.47 -4.98 117.98 117.33 2oec s PHE 1128Ca -0.06 1.15 -0.30 0.00 0.33 0.00 0.00 56.93 58.05 2oec s PHE 1128Cb 0.18 -3.62 -0.08 0.00 -1.31 0.00 0.00 43.02 38.19 2oec s PHE 1128CO 0.70 -1.99 1.00 -1.25 1.83 0.00 0.00 175.22 175.52 2oec s PRO 1129N 0.28 4.74 -1.41 10.12 0.04 -1.26 -4.95 135.00 142.55 2oec s PRO 1129Ca 0.59 1.59 -0.12 0.00 0.04 0.00 0.00 61.00 63.10 2oec s PRO 1129Cb -0.36 -3.28 0.07 0.00 0.04 0.00 0.00 34.50 30.97 2oec s PRO 1129CO 0.36 0.32 2.20 0.00 0.04 0.00 0.00 177.00 179.92 2oec n ALA 1130N 1.82 5.78 -2.77 8.56 0.00 -1.26 -4.73 120.51 127.90 2oec n ALA 1130Ca -0.00 -4.00 -0.36 0.00 0.00 0.00 0.00 53.44 49.09 2oec n ALA 1130Cb 0.47 -3.30 -0.08 0.00 0.00 0.00 0.00 19.45 16.54 2oec n ALA 1130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2oec s VAL 1131N 1.94 4.85 0.61 0.00 0.11 -1.26 -1.46 120.40 125.19 2oec s VAL 1131Ca 0.47 -0.08 -0.15 0.00 -2.93 0.00 0.00 61.98 59.29 2oec s VAL 1131Cb 0.13 -3.09 -0.03 0.00 -1.53 0.00 0.00 36.38 31.86 2oec s VAL 1131CO -0.06 0.58 1.07 0.00 -3.33 0.00 0.00 175.10 173.36 2oec s ALA 1132N -0.98 2.69 0.29 1.54 0.00 -0.11 -4.68 121.76 120.51 2oec s ALA 1132Ca 0.15 0.41 -0.29 0.00 0.00 0.00 0.00 51.96 52.23 2oec s ALA 1132Cb -0.12 -3.24 -0.10 0.00 0.00 0.00 0.00 23.12 19.66 2oec s ALA 1132CO 0.04 -0.90 1.33 0.34 0.00 0.00 0.00 175.76 176.57 2oec s ASP 1133N -2.78 6.78 0.24 0.00 -1.08 0.18 -4.94 116.67 115.07 2oec s ASP 1133Ca 0.64 2.63 0.02 0.00 -0.52 0.00 0.00 52.55 55.32 2oec s ASP 1133Cb -0.17 -2.64 0.29 0.00 -1.46 0.00 0.00 42.92 38.94 2oec s ASP 1133CO 0.38 -0.56 1.61 0.15 0.52 0.00 0.00 175.17 177.27 2oec h PHE 1134N 4.07 0.47 -0.14 -5.34 3.57 -1.95 -1.32 116.94 116.31 2oec h PHE 1134Ca -0.48 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 60.86 2oec h PHE 1134Cb 1.22 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 2oec h PHE 1134CO 0.58 0.79 0.01 0.00 -2.23 0.00 0.00 178.31 177.46 2oec h ALA 1135N 1.19 0.19 -0.69 2.41 0.00 -1.95 0.06 119.26 120.47 2oec h ALA 1135Ca 0.02 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.79 2oec h ALA 1135Cb 0.94 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 2oec h ALA 1135CO 0.08 -0.14 0.42 0.00 0.00 0.00 0.00 179.25 179.61 2oec h THR 1137N 0.82 1.26 0.05 0.00 2.02 -1.13 -0.88 112.91 115.05 2oec h THR 1137Ca 0.28 -1.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.28 2oec h THR 1137Cb 0.05 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 2oec h THR 1137CO -0.12 0.42 -0.03 0.74 0.37 0.00 0.00 175.52 176.90 2oec h THR 1138N 0.86 1.05 -0.77 3.16 2.02 -0.50 -0.66 112.91 118.07 2oec h THR 1138Ca 0.15 -0.33 0.13 0.00 0.77 0.00 0.00 66.41 67.12 2oec h THR 1138Cb 0.60 1.27 -0.09 0.00 -1.74 0.00 0.00 68.15 68.19 2oec h THR 1138CO 0.04 0.08 0.36 0.00 0.37 0.00 0.00 175.52 176.37 2oec h ALA 1139N 0.72 1.10 -0.42 6.16 0.00 -0.78 0.29 119.26 126.32 2oec h ALA 1139Ca -0.01 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2oec h ALA 1139Cb 0.19 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2oec h ALA 1139CO 0.01 -0.11 0.00 -0.07 0.00 0.00 0.00 179.25 179.08 2oec h LEU 1140N 0.55 0.73 -0.19 0.00 3.38 -0.91 0.03 115.31 118.90 2oec h LEU 1140Ca 0.41 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 2oec h LEU 1140Cb 0.54 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2oec h LEU 1140CO -0.34 0.86 -0.15 0.58 0.09 0.00 0.00 178.44 179.48 2oec h VAL 1141N 0.58 1.32 -0.61 1.22 2.07 -0.50 -1.27 116.25 119.06 2oec h VAL 1141Ca 0.12 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 2oec h VAL 1141Cb 0.48 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 2oec h VAL 1141CO 0.02 0.38 0.37 -0.33 0.02 0.00 0.00 177.57 178.04 2oec h GLU 1142N 0.12 0.83 -0.52 1.57 5.08 -0.42 -1.21 114.58 120.02 2oec h GLU 1142Ca 0.04 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 2oec h GLU 1142Cb 0.67 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2oec h GLU 1142CO 0.04 0.59 0.05 0.00 -1.00 0.00 0.00 179.01 178.68 2oec h ALA 1143N 1.19 1.11 -0.69 3.43 0.00 -0.96 -1.82 119.26 121.52 2oec h ALA 1143Ca 0.22 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2oec h ALA 1143Cb -0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2oec h ALA 1143CO -0.04 0.58 0.24 0.00 0.00 0.00 0.00 179.25 180.02 2oec h ALA 1144N 1.26 0.89 -0.17 0.00 0.00 -0.80 -1.76 119.26 118.68 2oec h ALA 1144Ca 0.16 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2oec h ALA 1144Cb 0.41 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2oec h ALA 1144CO 0.01 0.55 -0.14 0.87 0.00 0.00 0.00 179.25 180.54 2oec h LYS 1145N 0.99 0.27 -0.01 0.00 1.57 -0.93 -0.23 116.57 118.23 2oec h LYS 1145Ca 0.22 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2oec h LYS 1145Cb 0.26 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 2oec h LYS 1145CO -0.01 0.41 0.00 0.77 -0.57 0.00 0.00 179.45 180.05 2oec h SER 1146N 0.25 0.01 0.00 0.86 0.02 -0.81 -3.17 113.55 110.72 2oec h SER 1146Ca 0.05 -0.23 -0.09 0.00 -0.84 0.00 0.00 61.79 60.68 2oec h SER 1146Cb 0.40 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2oec h SER 1146CO 0.02 0.24 -0.27 0.40 -1.14 0.00 0.00 176.83 176.08 2oec h ILE 1147N -0.21 1.27 0.00 3.27 1.08 -1.15 -3.47 117.51 118.30 2oec h ILE 1147Ca 0.00 -1.28 0.00 0.00 -0.39 0.00 0.00 64.86 63.19 2oec h ILE 1147Cb 0.23 1.40 0.00 0.00 -3.07 0.00 0.00 36.82 35.38 2oec h ILE 1147CO 0.00 0.40 0.00 0.61 -0.69 0.00 0.00 178.15 178.47 2oec n GLY 1148N -0.37 0.77 3.74 5.37 0.00 -0.11 -5.05 105.19 109.52 2oec n GLY 1148Ca -0.01 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 2oec n GLY 1148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oec s ALA 1149N -2.00 2.58 -0.52 4.61 0.00 -1.14 -4.90 121.76 120.39 2oec s ALA 1149Ca 0.00 1.25 -0.27 0.00 0.00 0.00 0.00 51.96 52.94 2oec s ALA 1149Cb 0.00 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 2oec s ALA 1149CO 0.00 -1.47 1.72 0.99 0.00 0.00 0.00 175.76 176.99 2oec s THR 1150N -1.37 3.51 0.02 0.00 2.01 -1.26 -4.86 115.64 113.70 2oec s THR 1150Ca 0.78 0.41 0.06 0.00 0.31 0.00 0.00 61.69 63.24 2oec s THR 1150Cb -0.38 -4.00 -0.03 0.00 0.01 0.00 0.00 72.50 68.09 2oec s THR 1150CO 0.43 -0.85 -0.14 -0.89 -0.69 0.00 0.00 174.62 172.48 2oec s THR 1151N 7.65 3.11 -0.05 -0.82 2.01 -1.26 -1.24 115.64 125.04 2oec s THR 1151Ca 0.66 -1.01 0.03 0.00 0.31 0.00 0.00 61.69 61.68 2oec s THR 1151Cb -0.15 -2.32 0.00 0.00 0.01 0.00 0.00 72.50 70.05 2oec s THR 1151CO 0.25 0.37 -0.14 -1.00 -0.69 0.00 0.00 174.62 173.41 2oec s HIS 1152N -0.94 1.51 -0.12 4.92 3.76 0.56 -4.95 115.29 120.03 2oec s HIS 1152Ca 0.15 -0.47 0.03 0.00 -0.15 0.00 0.00 55.06 54.62 2oec s HIS 1152Cb -0.11 -1.05 0.00 0.00 1.11 0.00 0.00 32.58 32.53 2oec s HIS 1152CO 0.06 -0.20 -0.22 0.08 -0.85 0.00 0.00 174.74 173.61 2oec s VAL 1153N 0.28 2.16 -3.48 -0.90 1.01 -1.26 -0.37 120.40 117.85 2oec s VAL 1153Ca -0.08 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 60.93 2oec s VAL 1153Cb -0.13 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.41 2oec s VAL 1153CO 0.03 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.29 2oec n GLY 1154N 3.70 -0.56 3.83 4.51 0.00 -0.49 -4.97 105.19 111.21 2oec n GLY 1154Ca -0.19 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 2oec n GLY 1154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oec s VAL 1155N -3.61 4.71 -0.01 1.61 1.01 -1.26 -0.91 120.40 121.93 2oec s VAL 1155Ca 0.00 1.03 0.05 0.00 0.00 0.00 0.00 61.98 63.06 2oec s VAL 1155Cb 0.00 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 2oec s VAL 1155CO 0.00 0.17 -0.17 -0.89 0.00 0.00 0.00 175.10 174.20 2oec s THR 1156N -1.56 1.38 -0.30 3.92 2.01 -0.53 -1.04 115.64 119.52 2oec s THR 1156Ca 0.42 -0.75 -0.20 0.00 0.31 0.00 0.00 61.69 61.48 2oec s THR 1156Cb -0.15 -1.15 -0.01 0.00 0.01 0.00 0.00 72.50 71.20 2oec s THR 1156CO 0.20 0.39 0.62 0.00 -0.69 0.00 0.00 174.62 175.14 2oec s ALA 1157N -0.40 3.55 -0.34 7.40 0.00 -0.06 0.82 121.76 132.73 2oec s ALA 1157Ca 0.06 -0.62 -0.06 0.00 0.00 0.00 0.00 51.96 51.34 2oec s ALA 1157Cb -0.07 -3.07 0.04 0.00 0.00 0.00 0.00 23.12 20.02 2oec s ALA 1157CO -0.01 -1.01 0.10 0.45 0.00 0.00 0.00 175.76 175.30 2oec s SER 1158N 1.61 5.30 -0.07 0.00 0.15 -0.58 -1.74 113.70 118.37 2oec s SER 1158Ca 0.25 -1.13 0.00 0.00 0.70 0.00 0.00 55.95 55.77 2oec s SER 1158Cb -0.15 -1.87 -0.03 0.00 -1.71 0.00 0.00 66.02 62.26 2oec s SER 1158CO 0.11 -0.32 -0.06 -0.55 1.20 0.00 0.00 173.24 173.62 2oec s SER 1159N 1.40 4.73 0.00 5.45 0.15 0.49 -1.36 113.70 124.56 2oec s SER 1159Ca -0.02 -0.00 0.16 0.00 0.70 0.00 0.00 55.95 56.79 2oec s SER 1159Cb -0.19 -1.23 0.77 0.00 -1.71 0.00 0.00 66.02 63.66 2oec s SER 1159CO 0.03 0.36 1.48 0.47 1.20 0.00 0.00 173.24 176.78 2oec n ASP 1160N 2.25 0.00 -4.14 5.45 9.92 -0.53 -4.34 116.55 125.16 2oec n ASP 1160Ca -0.18 0.21 -0.15 0.00 -0.53 0.00 0.00 54.79 54.14 2oec n ASP 1160Cb 0.53 -0.36 -0.11 0.00 -0.64 0.00 0.00 41.12 40.54 2oec n ASP 1160CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2oec s THR 1161N -2.72 0.87 0.10 -3.53 -4.23 -1.26 -5.02 115.64 99.85 2oec s THR 1161Ca 0.13 -1.39 -0.02 0.00 -1.18 0.00 0.00 61.69 59.23 2oec s THR 1161Cb 0.11 -1.06 -0.24 0.00 1.34 0.00 0.00 72.50 72.64 2oec s THR 1161CO 0.26 -0.42 1.21 0.15 -0.54 0.00 0.00 174.62 175.29 2oec h PHE 1162N 4.03 0.40 0.00 3.99 3.04 -1.97 -3.38 116.94 123.04 2oec h PHE 1162Ca -0.38 -0.27 0.00 0.00 3.98 0.00 0.00 57.97 61.30 2oec h PHE 1162Cb 1.19 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.68 2oec h PHE 1162CO 0.64 1.18 0.00 0.66 -2.02 0.00 0.00 178.31 178.77 2oec n TYR 1163N -3.54 0.00 -0.18 0.41 4.02 -1.26 -4.29 117.16 112.32 2oec n TYR 1163Ca -0.06 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.81 2oec n TYR 1163Cb 0.96 0.00 0.19 0.00 -0.02 0.00 0.00 39.34 40.48 2oec n TYR 1163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2oec h PRO 1164N 0.00 0.93 0.00 -0.72 0.13 -1.87 -0.44 132.00 130.03 2oec h PRO 1164Ca 0.00 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2oec h PRO 1164Cb 0.00 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 30.96 2oec h PRO 1164CO 0.00 0.74 0.00 0.78 -0.23 0.00 0.00 178.00 179.29 2oec h GLY 1165N 1.01 0.00 -1.82 1.56 0.00 -1.86 -0.37 103.07 101.59 2oec h GLY 1165Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 2oec h GLY 1165CO -0.02 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.46 2oec n GLN 1166N -2.80 3.16 -3.90 4.80 6.02 -0.65 -4.92 117.38 119.09 2oec n GLN 1166Ca -0.00 -2.71 -0.29 0.00 -0.01 0.00 0.00 57.00 53.99 2oec n GLN 1166Cb 0.20 -1.77 -0.00 0.00 1.02 0.00 0.00 30.24 29.68 2oec n GLN 1166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2oec n GLU 1167N -0.07 -2.47 -3.37 -1.09 2.13 -0.15 -4.91 120.64 110.70 2oec n GLU 1167Ca 0.20 0.38 -0.38 0.00 0.66 0.00 0.00 57.16 58.03 2oec n GLU 1167Cb 0.82 -4.25 -0.06 0.00 0.27 0.00 0.00 31.44 28.22 2oec n GLU 1167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2oec s ARG 1168N -6.49 4.28 -0.01 5.31 0.52 -0.27 -4.98 118.95 117.32 2oec s ARG 1168Ca 0.16 0.38 0.16 0.00 -0.52 0.00 0.00 55.73 55.91 2oec s ARG 1168Cb -0.06 -3.41 -0.22 0.00 0.52 0.00 0.00 34.95 31.77 2oec s ARG 1168CO 0.89 0.23 0.46 0.66 0.02 0.00 0.00 175.30 177.56 2oec n TYR 1169N 3.45 0.00 -1.45 -0.53 4.02 -1.26 -4.40 117.16 116.99 2oec n TYR 1169Ca -0.09 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.38 2oec n TYR 1169Cb 0.52 -0.24 -0.03 0.00 -0.02 0.00 0.00 39.34 39.57 2oec n TYR 1169CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2oec n ASP 1170N -1.81 3.21 -3.70 7.72 8.00 -1.26 -4.09 116.55 124.62 2oec n ASP 1170Ca -0.01 -2.76 -0.23 0.00 0.71 0.00 0.00 54.79 52.50 2oec n ASP 1170Cb 0.35 -1.39 -0.08 0.00 -0.02 0.00 0.00 41.12 39.98 2oec n ASP 1170CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2oec s THR 1171N 4.12 0.26 0.13 -3.53 -4.23 -1.26 -5.00 115.64 106.12 2oec s THR 1171Ca 0.52 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.81 2oec s THR 1171Cb 0.14 -2.40 -0.02 0.00 1.34 0.00 0.00 72.50 71.57 2oec s THR 1171CO 0.01 0.00 1.67 0.22 -0.54 0.00 0.00 174.62 175.98 2oec h TYR 1172N 1.94 -0.38 0.00 3.99 3.20 -1.98 -3.06 116.97 120.69 2oec h TYR 1172Ca -0.29 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.41 2oec h TYR 1172Cb 1.25 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 39.68 2oec h TYR 1172CO 1.68 -0.22 -1.24 0.66 -1.64 0.00 0.00 178.16 177.40 2oec h SER 1173N -0.17 0.00 -0.57 -2.11 4.64 -1.97 -3.47 113.55 109.89 2oec h SER 1173Ca 0.10 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.17 2oec h SER 1173Cb 0.32 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.31 2oec h SER 1173CO -0.25 0.73 -0.22 0.61 -0.87 0.00 0.00 176.83 176.82 2oec n GLY 1174N 1.39 1.26 3.36 -0.77 0.00 -1.16 -4.99 105.19 104.28 2oec n GLY 1174Ca -0.08 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 2oec n GLY 1174CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2oec s ARG 1175N -2.91 1.35 -0.02 1.61 1.70 -1.26 -4.91 118.95 114.51 2oec s ARG 1175Ca 0.00 -1.49 0.03 0.00 -0.47 0.00 0.00 55.73 53.81 2oec s ARG 1175Cb 0.00 -1.38 -0.00 0.00 -0.57 0.00 0.00 34.95 32.99 2oec s ARG 1175CO 0.00 0.27 -0.12 0.14 -1.08 0.00 0.00 175.30 174.52 2oec s VAL 1176N -2.23 0.95 0.71 4.99 -7.23 -1.26 -4.91 120.40 111.42 2oec s VAL 1176Ca 0.19 -0.48 -0.16 0.00 -1.81 0.00 0.00 61.98 59.71 2oec s VAL 1176Cb -0.05 -0.81 -0.03 0.00 0.56 0.00 0.00 36.38 36.05 2oec s VAL 1176CO 0.08 0.28 0.67 0.55 -0.31 0.00 0.00 175.10 176.37 2oec n VAL 1177N 3.00 2.16 -0.24 1.32 3.14 -1.26 -4.57 118.33 121.88 2oec n VAL 1177Ca -0.16 -0.40 0.00 0.00 -2.96 0.00 0.00 64.34 60.83 2oec n VAL 1177Cb 0.55 -0.85 0.07 0.00 -1.06 0.00 0.00 33.84 32.55 2oec n VAL 1177CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 2oec h ARG 1178N -0.28 -0.02 -0.95 1.45 2.43 -2.00 -1.32 114.38 113.69 2oec h ARG 1178Ca -0.46 0.00 0.28 0.00 -0.81 0.00 0.00 59.98 58.99 2oec h ARG 1178Cb 1.35 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.76 2oec h ARG 1178CO 0.44 -0.01 0.43 -0.09 -1.51 0.00 0.00 179.97 179.23 2oec h ARG 1179N -0.02 0.30 -0.02 0.20 2.43 -2.02 -2.44 114.38 112.81 2oec h ARG 1179Ca 0.33 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 2oec h ARG 1179Cb 0.52 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2oec h ARG 1179CO -0.73 0.20 -0.26 1.19 -1.51 0.00 0.00 179.97 178.85 2oec n PHE 1180N -5.11 0.00 -1.98 2.20 3.72 -0.52 -4.76 117.46 111.02 2oec n PHE 1180Ca 0.27 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.25 2oec n PHE 1180Cb 0.83 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 39.33 2oec n PHE 1180CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2oec s LYS 1181N -2.28 4.21 -1.36 -1.08 1.02 -0.92 -2.02 119.74 117.31 2oec s LYS 1181Ca 0.23 2.27 0.00 0.00 0.02 0.00 0.00 55.97 58.50 2oec s LYS 1181Cb 0.19 -3.56 0.00 0.00 -0.52 0.00 0.00 37.83 33.94 2oec s LYS 1181CO 0.46 -0.70 0.00 0.41 -0.92 0.00 0.00 175.35 174.60 2oec n GLY 1182N 3.92 0.30 0.14 -3.33 0.00 -1.26 -4.92 105.19 100.05 2oec n GLY 1182Ca 0.15 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 2oec n GLY 1182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2oec h SER 1183N 0.00 0.61 -0.73 1.61 4.64 -1.70 -3.31 113.55 114.67 2oec h SER 1183Ca -0.34 -0.94 0.08 0.00 -0.47 0.00 0.00 61.79 60.12 2oec h SER 1183Cb 1.17 -0.20 -0.07 0.00 -0.31 0.00 0.00 62.40 63.00 2oec h SER 1183CO 0.43 1.80 0.40 -0.03 -0.87 0.00 0.00 176.83 178.55 2oec h MET 1184N 0.10 0.68 -0.48 4.77 -1.53 -1.91 -0.66 114.93 115.90 2oec h MET 1184Ca -0.35 -0.04 -0.01 0.00 -3.44 0.00 0.00 59.70 55.86 2oec h MET 1184Cb 2.09 -0.15 -0.02 0.00 -0.55 0.00 0.00 31.60 32.96 2oec h MET 1184CO 0.17 0.45 0.27 1.49 0.14 0.00 0.00 176.91 179.43 2oec h GLU 1185N 0.70 0.65 -0.07 0.39 4.81 -1.97 -1.41 114.58 117.68 2oec h GLU 1185Ca 0.34 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.44 2oec h GLU 1185Cb 0.29 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2oec h GLU 1185CO -0.23 0.47 -0.25 1.49 -0.73 0.00 0.00 179.01 179.76 2oec h GLU 1186N 0.66 0.29 -0.85 1.92 4.81 -1.25 -1.63 114.58 118.53 2oec h GLU 1186Ca 0.17 -0.22 0.06 0.00 -0.13 0.00 0.00 59.36 59.24 2oec h GLU 1186Cb 0.00 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 2oec h GLU 1186CO -0.03 0.85 0.56 -1.49 -0.73 0.00 0.00 179.01 178.17 2oec h TRP 1187N -0.21 0.97 -0.50 0.92 -0.00 -1.07 -1.02 115.95 115.04 2oec h TRP 1187Ca -0.01 0.02 -0.07 0.00 -0.00 0.00 0.00 58.89 58.83 2oec h TRP 1187Cb 0.88 -0.32 -0.02 0.00 -0.00 0.00 0.00 29.16 29.70 2oec h TRP 1187CO 0.13 0.52 0.03 0.37 -0.00 0.00 0.00 178.44 179.49 2oec h GLN 1188N 0.96 0.87 0.00 0.49 4.15 -1.13 -0.04 115.11 120.42 2oec h GLN 1188Ca 0.36 -0.26 -0.05 0.00 0.77 0.00 0.00 58.65 59.48 2oec h GLN 1188Cb 0.19 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 2oec h GLN 1188CO -0.13 0.88 -0.22 0.00 -1.93 0.00 0.00 178.83 177.43 2oec h ALA 1189N 0.95 1.30 -0.01 3.38 0.00 -0.78 -2.01 119.26 122.09 2oec h ALA 1189Ca 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2oec h ALA 1189Cb 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2oec h ALA 1189CO 0.02 0.28 0.00 -1.33 0.00 0.00 0.00 179.25 178.22 2oec n MET 1190N -3.79 1.34 -0.66 0.00 2.81 -0.43 -4.91 117.12 111.48 2oec n MET 1190Ca -0.02 -0.49 0.00 0.00 -1.81 0.00 0.00 57.70 55.39 2oec n MET 1190Cb 0.32 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 2oec n MET 1190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2oec n GLY 1191N 1.09 0.76 3.70 3.03 0.00 -0.76 -5.02 105.19 107.99 2oec n GLY 1191Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 2oec n GLY 1191CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2oec n VAL 1192N -2.27 1.39 0.08 1.61 0.31 -0.09 -4.72 118.33 114.64 2oec n VAL 1192Ca 0.00 -0.35 -0.23 0.00 -0.01 0.00 0.00 64.34 63.75 2oec n VAL 1192Cb 0.00 -1.60 -0.15 0.00 -0.91 0.00 0.00 33.84 31.18 2oec n VAL 1192CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 2oec h MET 1193N 3.64 0.42 -2.81 5.55 0.00 -1.40 -3.42 114.93 116.91 2oec h MET 1193Ca -0.46 -0.71 0.08 0.00 0.00 0.00 0.00 59.70 58.61 2oec h MET 1193Cb 1.27 0.27 -0.04 0.00 0.00 0.00 0.00 31.60 33.09 2oec h MET 1193CO 0.71 1.34 0.33 0.54 0.00 0.00 0.00 176.91 179.83 2oec s ASN 1194N -7.34 -0.15 -0.03 1.22 4.22 -1.26 -1.47 114.94 110.14 2oec s ASN 1194Ca -0.15 -0.72 0.05 0.00 -2.14 0.00 0.00 52.86 49.91 2oec s ASN 1194Cb 0.05 0.69 -0.03 0.00 1.28 0.00 0.00 41.25 43.24 2oec s ASN 1194CO 0.87 -1.31 -0.18 -0.31 -2.04 0.00 0.00 177.10 174.13 2oec s TYR 1195N -3.19 2.59 0.00 1.54 2.02 0.48 -0.89 117.35 119.91 2oec s TYR 1195Ca 0.14 -0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.60 2oec s TYR 1195Cb -0.04 -1.58 0.00 0.00 -0.40 0.00 0.00 41.96 39.94 2oec s TYR 1195CO 0.07 0.14 0.00 -0.85 -1.57 0.00 0.00 175.55 173.34 2oec n GLU 1196N 2.25 0.00 0.00 -0.62 -0.00 -0.71 -1.86 120.64 119.70 2oec n GLU 1196Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.99 2oec n GLU 1196Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 2oec n GLU 1196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2oec n MET 1197N 0.00 0.11 0.00 3.44 2.81 -1.26 -0.38 117.12 121.85 2oec n MET 1197Ca 0.00 -0.59 0.00 0.00 -1.81 0.00 0.00 57.70 55.30 2oec n MET 1197Cb 0.00 -0.85 0.00 0.00 -0.71 0.00 0.00 33.22 31.66 2oec n MET 1197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2oec n GLU 1198N -0.10 2.34 -0.17 0.03 4.71 -1.26 -3.49 120.64 122.70 2oec n GLU 1198Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.13 2oec n GLU 1198Cb 0.15 -0.81 0.19 0.00 -1.01 0.00 0.00 31.44 29.96 2oec n GLU 1198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2oec h SER 1199N 0.00 0.84 -0.22 1.62 4.64 -1.95 -1.71 113.55 116.77 2oec h SER 1199Ca 0.00 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2oec h SER 1199Cb 0.23 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2oec h SER 1199CO 0.00 0.75 0.13 0.00 -0.87 0.00 0.00 176.83 176.85 2oec h ALA 1200N 1.37 0.28 0.40 5.18 0.00 -1.88 0.18 119.26 124.80 2oec h ALA 1200Ca 0.21 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2oec h ALA 1200Cb 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2oec h ALA 1200CO -0.02 -0.22 -0.19 1.15 0.00 0.00 0.00 179.25 179.97 2oec h THR 1201N 0.27 0.61 -0.03 0.00 2.02 -1.85 -1.66 112.91 112.27 2oec h THR 1201Ca 0.08 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.27 2oec h THR 1201Cb 0.01 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 2oec h THR 1201CO -0.02 0.00 -0.18 0.25 0.37 0.00 0.00 175.52 175.95 2oec h LEU 1202N -0.55 -0.54 -0.67 2.58 5.85 -1.16 -1.02 115.31 119.80 2oec h LEU 1202Ca -0.06 0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 2oec h LEU 1202Cb 0.42 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 2oec h LEU 1202CO 0.09 -0.24 -0.41 -0.07 -0.34 0.00 0.00 178.44 177.47 2oec h LEU 1203N -0.28 0.60 0.11 2.25 3.38 -0.66 -1.91 115.31 118.81 2oec h LEU 1203Ca 0.07 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2oec h LEU 1203Cb 0.37 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2oec h LEU 1203CO -0.20 0.94 -0.06 0.74 0.09 0.00 0.00 178.44 179.96 2oec h THR 1204N 0.46 1.08 -0.09 0.22 2.02 -1.15 -0.69 112.91 114.76 2oec h THR 1204Ca 0.04 -0.89 -0.04 0.00 0.77 0.00 0.00 66.41 66.29 2oec h THR 1204Cb 0.91 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 2oec h THR 1204CO 0.08 0.21 -0.11 0.00 0.37 0.00 0.00 175.52 176.07 2oec h MET 1205N -0.58 0.13 0.00 6.66 -0.00 -1.19 -1.76 114.93 118.19 2oec h MET 1205Ca -0.02 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.70 59.65 2oec h MET 1205Cb 0.46 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.04 2oec h MET 1205CO 0.03 0.25 -0.03 0.00 -0.00 0.00 0.00 176.91 177.16 2oec h ALA 1207N 0.12 1.04 -0.38 0.00 0.00 -0.99 -1.18 119.26 117.86 2oec h ALA 1207Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2oec h ALA 1207Cb 0.91 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2oec h ALA 1207CO 0.01 0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.13 2oec n SER 1208N -3.15 3.08 -0.74 0.00 3.41 -0.67 -4.38 113.62 111.18 2oec n SER 1208Ca -0.02 -1.92 0.03 0.00 -0.26 0.00 0.00 58.87 56.70 2oec n SER 1208Cb 0.13 -0.25 0.05 0.00 -0.26 0.00 0.00 64.21 63.88 2oec n SER 1208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2oec n GLN 1209N 0.94 0.37 -2.38 4.33 6.02 -0.77 -5.01 117.38 120.88 2oec n GLN 1209Ca 0.15 -1.79 -0.17 0.00 -0.01 0.00 0.00 57.00 55.18 2oec n GLN 1209Cb 0.48 -0.63 -0.00 0.00 1.02 0.00 0.00 30.24 31.10 2oec n GLN 1209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2oec n GLY 1210N -0.20 -0.31 3.55 1.08 0.00 -1.09 -5.01 105.19 103.22 2oec n GLY 1210Ca 0.06 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 2oec n GLY 1210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2oec s LEU 1211N -4.84 2.93 -0.08 0.99 1.43 -0.52 -5.06 118.68 113.52 2oec s LEU 1211Ca 0.03 -0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 52.57 2oec s LEU 1211Cb -0.01 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.42 2oec s LEU 1211CO 0.03 0.18 0.32 -0.13 0.23 0.00 0.00 176.35 176.99 2oec s ARG 1212N -2.13 3.95 -0.03 1.70 0.52 -0.12 -3.95 118.95 118.87 2oec s ARG 1212Ca 0.20 0.20 -0.03 0.00 -0.52 0.00 0.00 55.73 55.58 2oec s ARG 1212Cb -0.11 -3.29 0.01 0.00 0.52 0.00 0.00 34.95 32.08 2oec s ARG 1212CO 0.12 0.54 0.08 0.00 0.02 0.00 0.00 175.30 176.06 2oec s ALA 1213N -0.49 -0.20 0.19 2.13 0.00 -1.26 -0.31 121.76 121.82 2oec s ALA 1213Ca 0.20 0.25 0.08 0.00 0.00 0.00 0.00 51.96 52.48 2oec s ALA 1213Cb -0.14 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 2oec s ALA 1213CO 0.08 -0.04 -0.16 0.20 0.00 0.00 0.00 175.76 175.84 2oec s GLY 1214N 0.09 1.42 -0.03 0.00 0.00 -0.02 -0.65 107.32 108.14 2oec s GLY 1214Ca -0.00 -1.59 -0.00 0.00 0.00 0.00 0.00 44.72 43.12 2oec s GLY 1214CO -0.00 -1.66 0.03 -0.29 0.00 0.00 0.00 173.10 171.17 2oec s MET 1215N -3.26 0.07 -0.01 2.90 1.75 -1.26 -1.37 119.30 118.12 2oec s MET 1215Ca 0.20 0.20 -0.11 0.00 -1.25 0.00 0.00 55.69 54.72 2oec s MET 1215Cb -0.03 -0.40 0.01 0.00 2.84 0.00 0.00 34.83 37.25 2oec s MET 1215CO 0.07 -0.20 0.22 0.54 -0.65 0.00 0.00 175.02 175.00 2oec s VAL 1216N 1.33 0.07 0.02 10.11 0.11 -0.61 -1.84 120.40 129.59 2oec s VAL 1216Ca -0.06 -0.57 -0.20 0.00 -2.93 0.00 0.00 61.98 58.23 2oec s VAL 1216Cb -0.13 -0.51 0.04 0.00 -1.53 0.00 0.00 36.38 34.25 2oec s VAL 1216CO -0.03 -0.31 0.45 0.00 -3.33 0.00 0.00 175.10 171.88 2oec s ALA 1217N -1.30 -1.13 -0.11 1.54 0.00 -0.67 -1.60 121.76 118.49 2oec s ALA 1217Ca -0.14 0.50 -0.11 0.00 0.00 0.00 0.00 51.96 52.22 2oec s ALA 1217Cb -0.06 0.26 -0.05 0.00 0.00 0.00 0.00 23.12 23.27 2oec s ALA 1217CO 0.03 -0.42 0.25 0.20 0.00 0.00 0.00 175.76 175.82 2oec s GLY 1218N -1.77 2.24 -0.08 0.00 0.00 -0.35 -1.11 107.32 106.25 2oec s GLY 1218Ca -0.07 -0.48 -0.30 0.00 0.00 0.00 0.00 44.72 43.86 2oec s GLY 1218CO 0.01 0.04 1.17 0.14 0.00 0.00 0.00 173.10 174.46 2oec s VAL 1219N -0.47 4.34 -0.28 1.40 1.01 -0.72 -1.04 120.40 124.64 2oec s VAL 1219Ca 0.17 1.65 0.02 0.00 0.00 0.00 0.00 61.98 63.83 2oec s VAL 1219Cb -0.13 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.20 2oec s VAL 1219CO 0.06 -0.02 0.51 2.30 0.00 0.00 0.00 175.10 177.95 2oec n ILE 1220N 4.68 0.00 -3.67 2.22 -5.35 -0.67 -0.13 119.36 116.44 2oec n ILE 1220Ca 0.11 -0.49 -0.14 0.00 -0.27 0.00 0.00 62.75 61.95 2oec n ILE 1220Cb 0.46 1.04 -0.08 0.00 -1.74 0.00 0.00 39.64 39.33 2oec n ILE 1220CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2oec s VAL 1221N -0.35 0.01 -0.29 7.28 1.01 -1.22 -4.66 120.40 122.17 2oec s VAL 1221Ca 0.03 -0.08 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 2oec s VAL 1221Cb 0.02 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.64 2oec s VAL 1221CO 0.04 -0.04 0.09 0.21 0.00 0.00 0.00 175.10 175.40 2oec s ASN 1222N -0.24 5.20 0.15 3.32 3.84 -1.26 -0.68 114.94 125.27 2oec s ASN 1222Ca -0.04 -0.64 0.26 0.00 0.21 0.00 0.00 52.86 52.64 2oec s ASN 1222Cb -0.03 -1.90 0.93 0.00 -0.55 0.00 0.00 41.25 39.69 2oec s ASN 1222CO 0.03 -0.18 1.78 0.54 -2.79 0.00 0.00 177.10 176.48 2oec n ARG 1223N 4.89 0.17 0.00 0.43 5.12 0.79 -1.84 116.66 126.22 2oec n ARG 1223Ca -0.15 0.20 0.12 0.00 -1.93 0.00 0.00 57.85 56.10 2oec n ARG 1223Cb 0.48 -1.72 0.73 0.00 -1.16 0.00 0.00 32.46 30.79 2oec n ARG 1223CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2oec n THR 1224N -2.02 0.03 0.00 0.55 -2.24 -1.26 -3.86 114.28 105.48 2oec n THR 1224Ca 0.05 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2oec n THR 1224Cb 0.36 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 2oec n THR 1224CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2oec n GLN 1225N -1.03 0.00 -3.50 -0.78 6.02 -0.77 -5.07 117.38 112.24 2oec n GLN 1225Ca 0.18 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 57.07 2oec n GLN 1225Cb 0.10 -0.80 -0.02 0.00 1.02 0.00 0.00 30.24 30.54 2oec n GLN 1225CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2oec s GLN 1226N -1.90 1.24 -0.01 -1.09 -2.07 -0.88 -5.07 119.66 109.89 2oec s GLN 1226Ca 0.00 -0.50 0.07 0.00 -1.82 0.00 0.00 55.36 53.10 2oec s GLN 1226Cb 0.00 0.54 -0.24 0.00 -1.09 0.00 0.00 33.01 32.23 2oec s GLN 1226CO 0.00 -0.55 0.79 0.93 -1.32 0.00 0.00 175.29 175.14 2oec h GLU 1227N 2.00 0.07 -4.63 9.60 5.08 -1.86 -3.34 114.58 121.50 2oec h GLU 1227Ca -0.29 -0.12 -0.43 0.00 -1.00 0.00 0.00 59.36 57.52 2oec h GLU 1227Cb 1.29 0.04 -0.31 0.00 0.50 0.00 0.00 28.75 30.27 2oec h GLU 1227CO 0.34 0.77 -0.79 0.42 -1.00 0.00 0.00 179.01 178.76 2oec s ILE 1228N -2.62 0.79 0.83 3.13 1.09 -1.26 -5.02 121.20 118.14 2oec s ILE 1228Ca -0.06 -0.37 -0.11 0.00 -1.10 0.00 0.00 60.65 59.01 2oec s ILE 1228Cb 0.08 -0.70 0.09 0.00 -1.06 0.00 0.00 42.46 40.87 2oec s ILE 1228CO 0.82 0.25 1.12 -2.16 -0.10 0.00 0.00 174.94 174.87 2oec s PRO 1229N 0.14 1.76 -0.13 2.79 0.04 -1.26 -5.01 135.00 133.34 2oec s PRO 1229Ca -0.02 1.35 -0.27 0.00 0.04 0.00 0.00 61.00 62.10 2oec s PRO 1229Cb -0.08 -1.83 -0.24 0.00 0.04 0.00 0.00 34.50 32.39 2oec s PRO 1229CO 0.00 -2.04 0.76 -0.91 0.04 0.00 0.00 177.00 174.85 2oec h ASN 1230N -1.38 -0.00 0.00 6.66 2.35 -1.99 -3.49 115.58 117.73 2oec h ASN 1230Ca -0.44 -0.89 0.00 0.00 -0.55 0.00 0.00 56.30 54.43 2oec h ASN 1230Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 2oec h ASN 1230CO 0.47 0.92 -0.40 0.00 -1.65 0.00 0.00 177.43 176.77 2oec n ALA 1231N -2.60 3.00 -1.49 -0.83 0.00 -1.26 -5.04 120.51 112.29 2oec n ALA 1231Ca -0.09 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.42 2oec n ALA 1231Cb 0.43 0.30 0.13 0.00 0.00 0.00 0.00 19.45 20.31 2oec n ALA 1231CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2oec n GLU 1232N -3.20 1.07 -0.04 0.00 4.71 -1.26 -4.67 120.64 117.26 2oec n GLU 1232Ca 0.00 -2.51 -0.07 0.00 -0.01 0.00 0.00 57.16 54.57 2oec n GLU 1232Cb 0.20 -1.26 -0.02 0.00 -1.01 0.00 0.00 31.44 29.35 2oec n GLU 1232CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 2oec n THR 1233N -0.97 1.35 -4.27 2.62 5.66 -1.26 -5.25 114.28 112.15 2oec n THR 1233Ca 0.14 0.20 -0.23 0.00 -3.05 0.00 0.00 64.05 61.10 2oec n THR 1233Cb 0.71 -2.01 -0.07 0.00 -1.55 0.00 0.00 70.33 67.40 2oec n THR 1233CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 2oec s MET 1234N -2.52 2.29 -0.42 1.09 1.75 -1.26 -5.09 119.30 115.14 2oec s MET 1234Ca -0.18 -1.46 0.02 0.00 -1.25 0.00 0.00 55.69 52.82 2oec s MET 1234Cb 0.03 -2.14 0.15 0.00 2.84 0.00 0.00 34.83 35.71 2oec s MET 1234CO 0.26 0.31 0.27 -2.00 -0.65 0.00 0.00 175.02 173.22 2oec s GLU 1238N -3.70 0.98 0.59 4.11 2.56 -1.26 -5.15 118.70 116.82 2oec s GLU 1238Ca 0.32 -1.86 0.33 0.00 0.00 0.00 0.00 54.97 53.77 2oec s GLU 1238Cb -0.05 -1.76 1.81 0.00 2.00 0.00 0.00 34.13 36.13 2oec s GLU 1238CO 0.20 -1.25 2.01 0.66 -0.56 0.00 0.00 175.26 176.32 2oec h SER 1239N 6.46 0.00 -0.39 -1.70 4.64 -1.99 -2.02 113.55 118.56 2oec h SER 1239Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2oec h SER 1239Cb 0.93 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.00 2oec h SER 1239CO 0.38 0.00 0.24 0.45 -0.87 0.00 0.00 176.83 177.04 2oec h HIS 1240N 0.00 0.50 -0.39 4.77 3.86 -1.99 0.56 115.15 122.46 2oec h HIS 1240Ca 0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 2oec h HIS 1240Cb 0.30 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.58 2oec h HIS 1240CO 0.00 0.34 -0.11 0.00 0.86 0.00 0.00 177.93 179.02 2oec h ALA 1241N 1.12 1.09 -0.26 2.45 0.00 -1.70 -1.55 119.26 120.40 2oec h ALA 1241Ca 0.14 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 2oec h ALA 1241Cb -0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2oec h ALA 1241CO -0.03 0.57 -0.21 0.28 0.00 0.00 0.00 179.25 179.86 2oec h VAL 1242N 0.62 1.31 -0.18 0.00 2.07 -1.31 -0.83 116.25 117.93 2oec h VAL 1242Ca 0.11 -1.36 -0.08 0.00 0.82 0.00 0.00 66.70 66.19 2oec h VAL 1242Cb 0.55 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 2oec h VAL 1242CO 0.03 0.43 -0.25 0.50 0.02 0.00 0.00 177.57 178.30 2oec h LYS 1243N 0.32 0.32 -0.43 1.57 3.64 0.13 -2.28 116.57 119.84 2oec h LYS 1243Ca 0.05 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 2oec h LYS 1243Cb 0.76 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 2oec h LYS 1243CO 0.05 0.56 0.04 0.82 -2.27 0.00 0.00 179.45 178.65 2oec h ILE 1244N 0.29 1.25 -0.08 2.00 2.04 -1.07 -0.73 117.51 121.21 2oec h ILE 1244Ca 0.05 -0.96 -0.07 0.00 1.00 0.00 0.00 64.86 64.88 2oec h ILE 1244Cb 0.61 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 2oec h ILE 1244CO 0.04 0.33 -0.27 1.62 0.00 0.00 0.00 178.15 179.87 2oec h VAL 1245N 0.59 1.23 -0.02 1.67 3.04 -0.91 0.37 116.25 122.22 2oec h VAL 1245Ca 0.13 -1.08 -0.02 0.00 -1.01 0.00 0.00 66.70 64.72 2oec h VAL 1245Cb 0.43 1.47 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 2oec h VAL 1245CO 0.01 0.32 -0.06 0.58 -1.01 0.00 0.00 177.57 177.42 2oec h VAL 1246N 0.13 1.46 -1.00 1.51 2.07 -1.20 -1.75 116.25 117.48 2oec h VAL 1246Ca 0.02 -1.44 0.12 0.00 0.82 0.00 0.00 66.70 66.21 2oec h VAL 1246Cb 0.55 2.37 -0.08 0.00 -1.52 0.00 0.00 31.29 32.61 2oec h VAL 1246CO 0.04 0.39 0.63 -0.33 0.02 0.00 0.00 177.57 178.31 2oec h GLU 1247N -0.48 0.97 -0.15 1.57 4.39 -1.00 -1.42 114.58 118.45 2oec h GLU 1247Ca -0.00 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2oec h GLU 1247Cb 0.66 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2oec h GLU 1247CO 0.01 0.64 0.06 0.00 -1.16 0.00 0.00 179.01 178.56 2oec h ALA 1248N 1.53 0.20 -0.28 3.43 0.00 -0.89 -2.31 119.26 120.95 2oec h ALA 1248Ca 0.49 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.33 2oec h ALA 1248Cb 0.47 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2oec h ALA 1248CO -0.26 -0.21 0.19 0.00 0.00 0.00 0.00 179.25 178.97 2oec h ALA 1249N 0.89 1.98 -0.88 0.00 0.00 -0.85 -0.48 119.26 119.93 2oec h ALA 1249Ca 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2oec h ALA 1249Cb 0.18 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2oec h ALA 1249CO -0.00 -0.03 0.47 -0.09 0.00 0.00 0.00 179.25 179.60 2oec h ARG 1250N 0.22 1.23 0.00 0.00 2.43 -0.72 -2.07 114.38 115.47 2oec h ARG 1250Ca 0.12 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2oec h ARG 1250Cb 0.20 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 2oec h ARG 1250CO -0.02 0.90 0.00 0.00 -1.51 0.00 0.00 179.97 179.34 2oec h ARG 1251N 1.23 0.00 -0.35 0.20 3.08 -0.78 -3.22 114.38 114.53 2oec h ARG 1251Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 2oec h ARG 1251Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2oec h ARG 1251CO -0.05 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.13 2oec n LEU 1252N -2.32 3.03 -0.39 3.04 4.77 -0.80 -5.07 117.00 119.26 2oec n LEU 1252Ca 0.03 -1.70 0.14 0.00 -0.03 0.00 0.00 56.01 54.45 2oec n LEU 1252Cb 0.32 -0.23 0.60 0.00 -2.33 0.00 0.00 43.42 41.78 2oec n LEU 1252CO 0.25 0.71 0.91 0.18 -1.33 0.00 0.00 177.39 178.11