#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oec s SER 1004N 0.00 -0.60 0.00 4.39 1.04 -1.26 -4.33 113.70 112.93 2oec s SER 1004Ca 0.00 0.70 0.21 0.00 0.48 0.00 0.00 55.95 57.34 2oec s SER 1004Cb 0.00 0.59 -0.15 0.00 0.10 0.00 0.00 66.02 66.57 2oec s SER 1004CO 0.00 -0.55 0.96 0.47 0.98 0.00 0.00 173.24 175.11 2oec n ASP 1005N 1.15 1.39 -4.35 7.02 8.00 0.15 -4.90 116.55 125.00 2oec n ASP 1005Ca -0.19 -1.19 -0.20 0.00 0.71 0.00 0.00 54.79 53.92 2oec n ASP 1005Cb 0.57 0.80 -0.10 0.00 -0.02 0.00 0.00 41.12 42.36 2oec n ASP 1005CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2oec s VAL 1006N -2.78 1.83 0.05 2.53 -7.23 -1.21 -5.05 120.40 108.54 2oec s VAL 1006Ca 0.12 -2.12 -0.17 0.00 -1.81 0.00 0.00 61.98 58.00 2oec s VAL 1006Cb 0.17 -1.99 -0.17 0.00 0.56 0.00 0.00 36.38 34.95 2oec s VAL 1006CO 0.75 -0.48 1.26 0.15 -0.31 0.00 0.00 175.10 176.47 2oec h PHE 1007N 2.78 0.75 0.00 2.82 3.57 -1.94 -3.36 116.94 121.57 2oec h PHE 1007Ca -0.40 -0.32 -0.30 0.00 3.53 0.00 0.00 57.97 60.48 2oec h PHE 1007Cb 1.22 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.78 2oec h PHE 1007CO 0.71 1.10 -2.14 0.72 -2.23 0.00 0.00 178.31 176.47 2oec n HIS 1008N -4.21 0.00 0.21 0.41 8.25 -1.26 -4.61 115.22 114.01 2oec n HIS 1008Ca -0.08 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.46 2oec n HIS 1008Cb 0.60 -0.77 0.45 0.00 1.12 0.00 0.00 29.99 31.39 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 -0.05 0.00 -0.57 2.41 3.38 -1.91 -3.44 115.31 115.14 2oec h LEU 1009Ca -0.45 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.24 2oec h LEU 1009Cb 1.68 0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.51 2oec h LEU 1009CO -0.09 0.29 -0.45 0.61 0.09 0.00 0.00 178.44 178.90 2oec n GLY 1010N -0.12 -0.09 3.47 0.83 0.00 -1.26 -4.57 105.19 103.46 2oec n GLY 1010Ca -0.01 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 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 -5.17 2.63 0.11 0.99 1.43 -1.26 -4.69 118.68 112.72 2oec s LEU 1011Ca 0.36 -0.65 0.05 0.00 -1.03 0.00 0.00 54.13 52.85 2oec s LEU 1011Cb -0.16 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 2oec s LEU 1011CO 0.44 0.16 0.04 -0.89 0.23 0.00 0.00 176.35 176.33 2oec s THR 1012N -1.31 4.15 0.30 5.49 2.01 -1.26 0.30 115.64 125.31 2oec s THR 1012Ca 0.19 -1.03 -0.01 0.00 0.31 0.00 0.00 61.69 61.15 2oec s THR 1012Cb -0.10 -3.03 0.27 0.00 0.01 0.00 0.00 72.50 69.66 2oec s THR 1012CO 0.10 0.04 1.94 0.50 -0.69 0.00 0.00 174.62 176.52 2oec h LYS 1013N 3.11 1.06 -0.66 4.92 3.64 -1.96 -0.25 116.57 126.44 2oec h LYS 1013Ca -0.47 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 58.90 2oec h LYS 1013Cb 1.18 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 32.72 2oec h LYS 1013CO 0.61 0.70 0.43 -0.97 -2.27 0.00 0.00 179.45 177.96 2oec h ASN 1014N 1.09 0.59 -0.06 4.20 -1.24 -1.95 -2.25 115.58 115.96 2oec h ASN 1014Ca 0.35 0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.37 2oec h ASN 1014Cb 0.02 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 38.94 2oec h ASN 1014CO -0.10 0.38 0.05 0.44 -1.29 0.00 0.00 177.43 176.91 2oec h ASP 1015N 0.67 0.00 1.47 1.15 3.32 -1.43 -1.61 116.42 120.00 2oec h ASP 1015Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 2oec h ASP 1015Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2oec h ASP 1015CO -0.09 0.00 -0.02 0.18 -1.72 0.00 0.00 179.24 177.60 2oec n LEU 1016N -4.29 0.83 -3.99 1.55 4.32 -0.85 -4.93 117.00 109.65 2oec n LEU 1016Ca -0.02 0.57 -0.32 0.00 -0.02 0.00 0.00 56.01 56.22 2oec n LEU 1016Cb 0.15 -0.31 -0.01 0.00 -1.62 0.00 0.00 43.42 41.63 2oec n LEU 1016CO 0.32 -0.18 0.01 0.00 -1.22 0.00 0.00 177.39 176.32 2oec n GLN 1017N -2.28 -3.84 -0.44 3.23 1.13 -0.61 -1.26 117.38 113.32 2oec n GLN 1017Ca 0.05 0.45 0.00 0.00 -1.94 0.00 0.00 57.00 55.56 2oec n GLN 1017Cb 0.43 -5.22 0.00 0.00 0.11 0.00 0.00 30.24 25.56 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 -1.43 0.78 3.52 1.08 0.00 -1.26 -4.70 105.19 103.19 2oec n GLY 1018Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2oec n GLY 1018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oec n ALA 1019N -0.62 -0.78 -0.73 4.61 0.00 -0.39 -4.89 120.51 117.72 2oec n ALA 1019Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2oec n ALA 1019Cb 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 17.54 2oec n ALA 1019CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2oec n GLN 1020N 0.37 0.07 -4.24 0.00 6.02 -1.26 -4.31 117.38 114.02 2oec n GLN 1020Ca 0.11 -0.34 -0.18 0.00 -0.01 0.00 0.00 57.00 56.58 2oec n GLN 1020Cb 0.39 -0.64 -0.15 0.00 1.02 0.00 0.00 30.24 30.86 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 -0.09 1.80 -0.06 1.08 0.20 -1.26 -1.68 118.68 118.67 2oec s LEU 1021Ca 0.00 -0.13 0.04 0.00 0.69 0.00 0.00 54.13 54.73 2oec s LEU 1021Cb 0.00 -0.39 0.00 0.00 -0.43 0.00 0.00 46.19 45.37 2oec s LEU 1021CO 0.00 0.04 -0.18 0.00 -0.29 0.00 0.00 176.35 175.93 2oec s ALA 1022N 0.17 1.61 -0.17 5.97 0.00 0.01 -1.41 121.76 127.94 2oec s ALA 1022Ca -0.02 -0.69 -0.16 0.00 0.00 0.00 0.00 51.96 51.10 2oec s ALA 1022Cb -0.07 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 2oec s ALA 1022CO -0.00 0.24 0.39 0.42 0.00 0.00 0.00 175.76 176.81 2oec s ILE 1023N 0.27 5.23 -0.45 0.00 1.01 0.42 -0.89 121.20 126.79 2oec s ILE 1023Ca -0.10 0.73 0.03 0.00 0.00 0.00 0.00 60.65 61.31 2oec s ILE 1023Cb -0.14 -3.72 0.12 0.00 0.01 0.00 0.00 42.46 38.73 2oec s ILE 1023CO 0.04 0.31 0.21 0.68 0.00 0.00 0.00 174.94 176.18 2oec s VAL 1024N 0.89 2.08 0.90 2.92 -7.23 0.74 -1.69 120.40 119.01 2oec s VAL 1024Ca 0.20 -2.81 -0.12 0.00 -1.81 0.00 0.00 61.98 57.44 2oec s VAL 1024Cb -0.14 -2.47 0.13 0.00 0.56 0.00 0.00 36.38 34.46 2oec s VAL 1024CO 0.07 -0.78 1.11 -2.84 -0.31 0.00 0.00 175.10 172.35 2oec s PRO 1025N 0.22 1.24 -0.11 4.82 0.02 -1.22 -3.39 135.00 136.58 2oec s PRO 1025Ca 0.16 0.47 -0.16 0.00 0.02 0.00 0.00 61.00 61.48 2oec s PRO 1025Cb -0.24 -1.84 -0.27 0.00 0.02 0.00 0.00 34.50 32.18 2oec s PRO 1025CO -0.03 -2.17 0.54 0.78 -0.33 0.00 0.00 177.00 175.79 2oec h GLY 1026N -1.48 0.26 -5.78 0.52 0.00 -1.84 -0.67 103.07 94.09 2oec h GLY 1026Ca -0.50 -0.66 -0.59 0.00 0.00 0.00 0.00 47.33 45.57 2oec h GLY 1026CO 0.60 0.58 0.50 -0.35 0.00 0.00 0.00 176.54 177.86 2oec s ASP 1027N -7.00 6.84 0.45 0.19 -1.08 -1.26 -1.57 116.67 113.23 2oec s ASP 1027Ca -0.20 1.03 0.14 0.00 -0.52 0.00 0.00 52.55 53.00 2oec s ASP 1027Cb 0.04 -2.44 1.07 0.00 -1.46 0.00 0.00 42.92 40.13 2oec s ASP 1027CO 0.76 -0.54 2.01 1.55 0.52 0.00 0.00 175.17 179.46 2oec h PRO 1028N 7.71 0.34 0.00 4.34 0.13 -1.90 -0.51 132.00 142.11 2oec h PRO 1028Ca -0.23 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2oec h PRO 1028Cb 1.09 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2oec h PRO 1028CO 0.88 0.22 0.00 0.93 -0.23 0.00 0.00 178.00 179.81 2oec h GLU 1029N 0.35 0.00 0.00 0.86 5.08 -1.96 -2.64 114.58 116.26 2oec h GLU 1029Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2oec h GLU 1029Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2oec h GLU 1029CO -0.06 0.00 -0.49 0.54 -1.00 0.00 0.00 179.01 178.00 2oec n ARG 1030N -2.68 0.07 0.16 2.33 1.74 -0.20 -4.37 116.66 113.71 2oec n ARG 1030Ca 0.01 0.02 -0.14 0.00 -0.77 0.00 0.00 57.85 56.96 2oec n ARG 1030Cb 0.23 -1.54 -0.08 0.00 -1.02 0.00 0.00 32.46 30.04 2oec n ARG 1030CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2oec h VAL 1031N 0.00 0.77 -0.77 1.55 2.07 -1.52 -2.61 116.25 115.74 2oec h VAL 1031Ca 0.00 -0.13 0.08 0.00 0.82 0.00 0.00 66.70 67.47 2oec h VAL 1031Cb 0.56 0.84 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 2oec h VAL 1031CO 0.00 0.03 0.44 -0.08 0.02 0.00 0.00 177.57 177.97 2oec h GLU 1032N -0.41 0.74 -0.39 1.57 4.81 -1.78 -0.99 114.58 118.13 2oec h GLU 1032Ca -0.04 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2oec h GLU 1032Cb 0.31 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 2oec h GLU 1032CO 0.06 0.49 0.23 0.87 -0.73 0.00 0.00 179.01 179.93 2oec h LYS 1033N 0.76 0.54 -0.26 1.92 1.57 -1.76 -1.29 116.57 118.05 2oec h LYS 1033Ca 0.36 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 59.05 2oec h LYS 1033Cb 0.29 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2oec h LYS 1033CO -0.22 0.41 0.03 0.82 -0.57 0.00 0.00 179.45 179.92 2oec h ILE 1034N 0.52 1.24 0.00 1.86 2.04 -1.08 -2.88 117.51 119.20 2oec h ILE 1034Ca 0.14 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 2oec h ILE 1034Cb 0.01 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2oec h ILE 1034CO -0.03 0.26 -0.07 0.00 0.00 0.00 0.00 178.15 178.31 2oec h ALA 1035N 0.85 1.87 0.00 1.87 0.00 -1.00 -2.04 119.26 120.81 2oec h ALA 1035Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2oec h ALA 1035Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2oec h ALA 1035CO 0.01 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.35 2oec n ALA 1036N -2.52 2.44 0.04 0.00 0.00 -0.50 -1.66 120.51 118.31 2oec n ALA 1036Ca -0.03 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.48 2oec n ALA 1036Cb 0.15 -1.12 0.25 0.00 0.00 0.00 0.00 19.45 18.74 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 -0.63 3.64 -4.46 0.00 4.77 -0.76 -4.97 117.00 114.59 2oec n LEU 1037Ca 0.06 -1.70 -0.23 0.00 -0.03 0.00 0.00 56.01 54.10 2oec n LEU 1037Cb 0.03 -0.34 -0.09 0.00 -2.33 0.00 0.00 43.42 40.69 2oec n LEU 1037CO 0.04 0.84 -0.20 -0.04 -1.33 0.00 0.00 177.39 176.70 2oec s MET 1038N -1.29 1.82 0.37 3.23 -1.94 -0.66 -5.12 119.30 115.70 2oec s MET 1038Ca 0.42 -2.08 -0.24 0.00 -1.71 0.00 0.00 55.69 52.08 2oec s MET 1038Cb 0.24 -0.49 -0.10 0.00 2.01 0.00 0.00 34.83 36.49 2oec s MET 1038CO 0.32 -0.45 0.97 -0.51 -0.01 0.00 0.00 175.02 175.34 2oec s ASP 1039N -3.53 7.10 -1.41 3.03 1.01 -0.15 -4.28 116.67 118.44 2oec s ASP 1039Ca 0.29 1.85 -0.00 0.00 0.71 0.00 0.00 52.55 55.39 2oec s ASP 1039Cb 0.04 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.40 2oec s ASP 1039CO 0.16 -0.24 0.44 0.29 0.21 0.00 0.00 175.17 176.03 2oec n LYS 1040N 0.12 -3.40 -2.16 8.23 5.02 -1.26 0.50 118.16 125.20 2oec n LYS 1040Ca 0.04 0.42 -0.42 0.00 -2.02 0.00 0.00 58.31 56.32 2oec n LYS 1040Cb 0.51 -4.58 -0.03 0.00 -0.02 0.00 0.00 35.03 30.91 2oec n LYS 1040CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2oec s PRO 1041N -6.53 4.27 -0.03 1.97 0.02 -1.26 -4.51 135.00 128.93 2oec s PRO 1041Ca 0.02 2.04 0.03 0.00 0.02 0.00 0.00 61.00 63.11 2oec s PRO 1041Cb -0.01 -3.55 0.00 0.00 0.02 0.00 0.00 34.50 30.97 2oec s PRO 1041CO 0.88 -0.59 -0.11 0.54 -0.33 0.00 0.00 177.00 177.39 2oec s VAL 1042N 2.32 0.95 0.21 3.83 0.11 0.77 -4.99 120.40 123.60 2oec s VAL 1042Ca 0.66 -0.44 -0.30 0.00 -2.93 0.00 0.00 61.98 58.97 2oec s VAL 1042Cb -0.33 -0.84 -0.09 0.00 -1.53 0.00 0.00 36.38 33.58 2oec s VAL 1042CO 0.28 0.29 1.27 -0.75 -3.33 0.00 0.00 175.10 172.86 2oec s LYS 1043N 0.25 4.43 -0.14 1.54 2.20 -1.26 -0.55 119.74 126.20 2oec s LYS 1043Ca -0.05 2.01 -0.15 0.00 -0.36 0.00 0.00 55.97 57.42 2oec s LYS 1043Cb -0.10 -3.20 -0.05 0.00 -1.51 0.00 0.00 37.83 32.97 2oec s LYS 1043CO 0.01 -0.18 -0.29 1.28 -0.36 0.00 0.00 175.35 175.81 2oec n LEU 1044N 2.36 1.70 -3.86 5.43 4.77 0.42 -4.87 117.00 122.95 2oec n LEU 1044Ca 0.05 0.29 -0.08 0.00 -0.03 0.00 0.00 56.01 56.23 2oec n LEU 1044Cb 0.43 -0.69 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 2oec n LEU 1044CO 0.57 -0.32 0.39 0.00 -1.33 0.00 0.00 177.39 176.70 2oec s ALA 1045N -2.86 -1.02 -0.28 -1.18 0.00 -1.01 -5.00 121.76 110.41 2oec s ALA 1045Ca -0.24 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 51.34 2oec s ALA 1045Cb 0.03 0.90 0.16 0.00 0.00 0.00 0.00 23.12 24.21 2oec s ALA 1045CO 0.36 -0.97 0.44 0.45 0.00 0.00 0.00 175.76 176.03 2oec s SER 1046N -2.93 -0.02 -0.04 0.00 0.15 -1.26 -1.06 113.70 108.54 2oec s SER 1046Ca 0.13 -0.07 0.02 0.00 0.70 0.00 0.00 55.95 56.73 2oec s SER 1046Cb -0.04 1.30 0.02 0.00 -1.71 0.00 0.00 66.02 65.58 2oec s SER 1046CO 0.06 -0.33 -0.07 -1.00 1.20 0.00 0.00 173.24 173.10 2oec s HIS 1047N 2.60 0.88 0.00 3.44 3.76 -0.17 -4.98 115.29 120.83 2oec s HIS 1047Ca 0.11 -0.26 0.00 0.00 -0.15 0.00 0.00 55.06 54.77 2oec s HIS 1047Cb -0.13 -0.71 0.00 0.00 1.11 0.00 0.00 32.58 32.85 2oec s HIS 1047CO -0.25 -0.17 0.00 0.54 -0.85 0.00 0.00 174.74 174.00 2oec n ARG 1048N 3.79 0.00 -0.46 1.40 1.74 -1.26 0.13 116.66 122.00 2oec n ARG 1048Ca -0.23 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 56.93 2oec n ARG 1048Cb 0.52 0.00 0.30 0.00 -1.02 0.00 0.00 32.46 32.26 2oec n ARG 1048CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2oec n GLU 1049N 14.00 3.05 -3.52 5.56 0.00 -1.26 -4.82 120.64 133.66 2oec n GLU 1049Ca 0.00 -2.38 -0.42 0.00 0.00 0.00 0.00 57.16 54.36 2oec n GLU 1049Cb 0.00 -1.70 -0.08 0.00 0.00 0.00 0.00 31.44 29.66 2oec n GLU 1049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2oec s PHE 1050N -1.60 3.40 -0.19 -1.84 0.08 0.12 -4.01 117.98 113.94 2oec s PHE 1050Ca 0.43 -1.79 -0.05 0.00 0.12 0.00 0.00 56.93 55.64 2oec s PHE 1050Cb 0.26 -3.54 -0.02 0.00 -0.57 0.00 0.00 43.02 39.15 2oec s PHE 1050CO 0.23 -1.00 -0.01 0.99 -0.10 0.00 0.00 175.22 175.34 2oec s THR 1051N 1.40 3.90 -0.04 0.64 2.01 -1.26 -1.00 115.64 121.29 2oec s THR 1051Ca 0.05 -0.33 0.05 0.00 0.31 0.00 0.00 61.69 61.77 2oec s THR 1051Cb -0.27 -2.75 -0.01 0.00 0.01 0.00 0.00 72.50 69.48 2oec s THR 1051CO -0.00 0.44 -0.20 -0.94 -0.69 0.00 0.00 174.62 173.23 2oec s SER 1052N 0.89 2.41 0.19 3.53 1.04 -0.23 -1.79 113.70 119.74 2oec s SER 1052Ca 0.01 -0.39 0.08 0.00 0.48 0.00 0.00 55.95 56.13 2oec s SER 1052Cb -0.14 -0.58 -0.04 0.00 0.10 0.00 0.00 66.02 65.35 2oec s SER 1052CO 0.02 0.19 -0.17 0.26 0.98 0.00 0.00 173.24 174.52 2oec s TRP 1053N -0.12 1.80 -0.04 5.02 0.52 0.59 -0.43 118.94 126.28 2oec s TRP 1053Ca -0.01 -0.50 0.06 0.00 0.02 0.00 0.00 56.10 55.66 2oec s TRP 1053Cb -0.11 -0.87 -0.02 0.00 -1.15 0.00 0.00 33.47 31.32 2oec s TRP 1053CO 0.02 0.36 -0.19 0.50 0.02 0.00 0.00 176.95 177.65 2oec s ARG 1054N -3.14 2.34 0.08 4.98 3.52 0.29 -1.20 118.95 125.81 2oec s ARG 1054Ca 0.19 -0.80 0.01 0.00 -0.13 0.00 0.00 55.73 55.00 2oec s ARG 1054Cb -0.04 -2.23 -0.00 0.00 -1.56 0.00 0.00 34.95 31.12 2oec s ARG 1054CO 0.07 0.59 0.03 0.00 -0.81 0.00 0.00 175.30 175.18 2oec n ALA 1055N 2.38 0.12 -3.38 6.12 0.00 0.03 -0.16 120.51 125.61 2oec n ALA 1055Ca -0.17 -0.40 -0.22 0.00 0.00 0.00 0.00 53.44 52.65 2oec n ALA 1055Cb 0.52 0.28 -0.16 0.00 0.00 0.00 0.00 19.45 20.08 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 -2.30 1.20 -0.14 0.00 2.12 0.18 -0.99 118.70 118.77 2oec s GLU 1056Ca 0.04 -0.28 -0.01 0.00 0.36 0.00 0.00 54.97 55.08 2oec s GLU 1056Cb 0.00 -1.07 0.04 0.00 0.26 0.00 0.00 34.13 33.36 2oec s GLU 1056CO 0.03 0.02 -0.05 -1.17 -0.54 0.00 0.00 175.26 173.56 2oec s LEU 1057N 0.59 1.36 -1.35 2.70 2.96 0.12 -0.98 118.68 124.09 2oec s LEU 1057Ca -0.10 -0.52 -0.07 0.00 -0.22 0.00 0.00 54.13 53.22 2oec s LEU 1057Cb -0.13 -0.82 0.04 0.00 0.50 0.00 0.00 46.19 45.78 2oec s LEU 1057CO 0.02 -0.18 0.48 0.47 -1.32 0.00 0.00 176.35 175.82 2oec n ASP 1058N 4.93 -4.49 0.00 3.68 8.00 -1.26 -0.70 116.55 126.72 2oec n ASP 1058Ca -0.11 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.09 2oec n ASP 1058Cb 0.49 -3.69 0.00 0.00 -0.02 0.00 0.00 41.12 37.90 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 -1.24 0.53 3.50 0.44 0.00 -1.26 -5.04 105.19 102.11 2oec n GLY 1059Ca -0.06 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.53 2.46 0.18 1.61 3.01 0.12 -5.10 119.74 121.49 2oec s LYS 1060Ca 0.00 -0.74 -0.30 0.00 -1.01 0.00 0.00 55.97 53.92 2oec s LYS 1060Cb 0.00 -2.38 -0.08 0.00 -1.01 0.00 0.00 37.83 34.36 2oec s LYS 1060CO 0.00 0.61 1.26 0.00 0.51 0.00 0.00 175.35 177.73 2oec s ALA 1061N -0.81 3.49 0.02 5.17 0.00 -1.26 0.16 121.76 128.53 2oec s ALA 1061Ca 0.13 1.03 0.03 0.00 0.00 0.00 0.00 51.96 53.15 2oec s ALA 1061Cb -0.11 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 2oec s ALA 1061CO 0.02 -0.47 -0.10 0.08 0.00 0.00 0.00 175.76 175.29 2oec s VAL 1062N 0.19 0.79 -0.10 0.00 1.01 -0.16 -4.12 120.40 118.01 2oec s VAL 1062Ca 0.56 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 2oec s VAL 1062Cb -0.34 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 2oec s VAL 1062CO 0.36 -0.00 0.01 -0.63 0.00 0.00 0.00 175.10 174.84 2oec s ILE 1063N -0.68 4.34 -0.19 2.22 -1.09 -0.50 -0.79 121.20 124.51 2oec s ILE 1063Ca -0.00 -0.23 -0.00 0.00 -2.23 0.00 0.00 60.65 58.19 2oec s ILE 1063Cb -0.06 -2.85 0.01 0.00 -1.58 0.00 0.00 42.46 37.98 2oec s ILE 1063CO 0.00 0.58 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.45 2oec s VAL 1064N -0.66 2.41 -0.03 2.92 1.01 -0.34 -0.44 120.40 125.27 2oec s VAL 1064Ca 0.11 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.26 2oec s VAL 1064Cb -0.12 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.26 2oec s VAL 1064CO 0.02 0.51 0.03 0.00 0.00 0.00 0.00 175.10 175.67 2oec s SER 1066N 1.37 6.14 -0.03 0.00 1.04 -0.74 -3.42 113.70 118.06 2oec s SER 1066Ca -0.05 1.73 0.11 0.00 0.48 0.00 0.00 55.95 58.22 2oec s SER 1066Cb -0.13 -2.53 -0.16 0.00 0.10 0.00 0.00 66.02 63.30 2oec s SER 1066CO -0.03 -0.92 0.21 0.35 0.98 0.00 0.00 173.24 173.83 2oec n THR 1067N -1.79 0.09 0.00 2.02 -2.24 -0.26 -4.40 114.28 107.71 2oec n THR 1067Ca 0.08 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2oec n THR 1067Cb 0.53 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 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 1.95 -0.86 3.69 3.38 0.00 -0.61 -3.47 105.19 109.27 2oec n GLY 1068Ca -0.04 -1.68 -0.40 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.24 4.97 0.00 -0.61 1.01 -1.26 -4.68 121.20 119.38 2oec s ILE 1069Ca 0.00 1.48 0.00 0.00 0.00 0.00 0.00 60.65 62.13 2oec s ILE 1069Cb 0.00 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.40 2oec s ILE 1069CO 0.00 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.68 2oec n GLY 1070N 3.38 2.50 0.24 6.18 0.00 -1.25 -4.77 105.19 111.47 2oec n GLY 1070Ca 0.01 -1.74 0.01 0.00 0.00 0.00 0.00 46.02 44.30 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 0.61 0.43 -0.02 0.00 -1.83 -2.47 103.07 99.79 2oec h GLY 1071Ca 0.00 0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.50 2oec h GLY 1071CO 0.00 -0.23 -0.20 -2.55 0.00 0.00 0.00 176.54 173.57 2oec h PRO 1072N 0.07 -0.26 -0.05 4.80 0.11 -1.93 0.65 132.00 135.39 2oec h PRO 1072Ca 0.33 0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.31 2oec h PRO 1072Cb 0.53 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 2oec h PRO 1072CO -0.59 -0.17 -0.62 0.66 -0.21 0.00 0.00 178.00 177.07 2oec h SER 1073N -0.27 0.19 -0.69 -2.05 4.64 -1.80 -2.17 113.55 111.40 2oec h SER 1073Ca 0.08 -0.11 0.03 0.00 -0.47 0.00 0.00 61.79 61.33 2oec h SER 1073Cb 0.39 -0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 62.38 2oec h SER 1073CO -0.24 0.76 0.42 0.74 -0.87 0.00 0.00 176.83 177.65 2oec h THR 1074N 0.12 1.07 -0.07 2.95 2.02 -0.88 -1.37 112.91 116.76 2oec h THR 1074Ca -0.01 -0.28 -0.10 0.00 0.77 0.00 0.00 66.41 66.79 2oec h THR 1074Cb 1.12 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 2oec h THR 1074CO 0.09 0.15 -0.40 0.77 0.37 0.00 0.00 175.52 176.50 2oec h SER 1075N 0.82 0.15 -0.03 4.18 4.64 0.57 -0.99 113.55 122.90 2oec h SER 1075Ca 0.28 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2oec h SER 1075Cb 0.05 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2oec h SER 1075CO -0.12 0.54 -0.00 0.40 -0.87 0.00 0.00 176.83 176.77 2oec h ILE 1076N 0.12 1.27 -0.65 0.95 2.04 -0.94 -1.87 117.51 118.43 2oec h ILE 1076Ca 0.01 -0.80 0.02 0.00 1.00 0.00 0.00 64.86 65.08 2oec h ILE 1076Cb 0.76 1.76 -0.04 0.00 -0.74 0.00 0.00 36.82 38.57 2oec h ILE 1076CO 0.06 0.21 0.42 0.00 0.00 0.00 0.00 178.15 178.84 2oec h ALA 1077N 0.68 0.84 -0.02 1.87 0.00 -1.03 -1.59 119.26 120.01 2oec h ALA 1077Ca 0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2oec h ALA 1077Cb 0.35 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2oec h ALA 1077CO 0.00 0.21 -0.00 0.28 0.00 0.00 0.00 179.25 179.74 2oec h VAL 1078N 0.84 1.29 -0.28 0.00 2.07 -1.21 -0.29 116.25 118.67 2oec h VAL 1078Ca 0.25 -0.87 0.05 0.00 0.82 0.00 0.00 66.70 66.96 2oec h VAL 1078Cb -0.04 1.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 2oec h VAL 1078CO -0.08 0.23 -0.04 -0.08 0.02 0.00 0.00 177.57 177.62 2oec h GLU 1079N -0.33 0.03 -0.07 1.57 4.57 -1.25 0.14 114.58 119.24 2oec h GLU 1079Ca 0.00 -0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.07 2oec h GLU 1079Cb 0.37 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 2oec h GLU 1079CO 0.00 0.02 -0.48 0.93 -1.18 0.00 0.00 179.01 178.30 2oec h GLU 1080N 0.03 0.18 -0.20 1.92 5.08 -1.27 -0.21 114.58 120.11 2oec h GLU 1080Ca 0.13 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 2oec h GLU 1080Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2oec h GLU 1080CO -0.26 0.63 -0.47 -0.07 -1.00 0.00 0.00 179.01 177.83 2oec h LEU 1081N 0.15 0.57 -0.87 1.33 3.38 -0.78 -2.80 115.31 116.29 2oec h LEU 1081Ca 0.01 -0.28 -0.10 0.00 0.09 0.00 0.00 57.88 57.60 2oec h LEU 1081Cb 0.91 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2oec h LEU 1081CO 0.07 0.96 -0.23 0.00 0.09 0.00 0.00 178.44 179.33 2oec h ALA 1082N 1.06 1.04 -0.07 1.53 0.00 -0.19 -0.98 119.26 121.64 2oec h ALA 1082Ca 0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2oec h ALA 1082Cb 0.99 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2oec h ALA 1082CO 0.09 0.58 0.02 1.96 0.00 0.00 0.00 179.25 181.90 2oec h GLN 1083N 0.51 0.10 -0.31 0.00 4.20 -0.94 -2.08 115.11 116.59 2oec h GLN 1083Ca 0.07 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2oec h GLN 1083Cb 0.68 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.44 2oec h GLN 1083CO 0.05 0.10 0.00 1.28 -0.67 0.00 0.00 178.83 179.59 2oec n LEU 1084N -4.49 2.29 0.00 1.46 4.32 -0.65 -4.91 117.00 115.02 2oec n LEU 1084Ca -0.02 -1.03 0.00 0.00 -0.02 0.00 0.00 56.01 54.94 2oec n LEU 1084Cb 0.11 -0.20 0.00 0.00 -1.62 0.00 0.00 43.42 41.71 2oec n LEU 1084CO 0.35 0.52 0.00 0.61 -1.22 0.00 0.00 177.39 177.64 2oec n GLY 1085N 1.24 0.65 3.70 -0.72 0.00 -0.78 -4.90 105.19 104.38 2oec n GLY 1085Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 3.39 -0.12 -0.61 -1.09 -0.46 -4.56 121.20 115.74 2oec s ILE 1086Ca 0.00 0.91 0.02 0.00 -2.23 0.00 0.00 60.65 59.36 2oec s ILE 1086Cb 0.00 -3.59 -0.02 0.00 -1.58 0.00 0.00 42.46 37.27 2oec s ILE 1086CO 0.00 0.04 0.12 0.54 -1.23 0.00 0.00 174.94 174.41 2oec n ARG 1087N 4.67 5.90 -4.09 2.79 5.12 -0.68 -4.15 116.66 126.22 2oec n ARG 1087Ca 0.13 -0.03 -0.21 0.00 -1.93 0.00 0.00 57.85 55.80 2oec n ARG 1087Cb 0.42 -0.63 -0.17 0.00 -1.16 0.00 0.00 32.46 30.93 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 -1.17 0.59 -0.14 0.55 2.01 -1.04 -1.34 115.64 115.10 2oec s THR 1088Ca 0.01 -0.11 0.02 0.00 0.31 0.00 0.00 61.69 61.91 2oec s THR 1088Cb 0.02 -0.63 0.01 0.00 0.01 0.00 0.00 72.50 71.91 2oec s THR 1088CO 0.09 0.25 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.73 2oec s PHE 1089N 1.17 2.42 -0.23 4.92 0.40 0.95 -0.81 117.98 126.81 2oec s PHE 1089Ca -0.07 -1.27 -0.03 0.00 -0.60 0.00 0.00 56.93 54.96 2oec s PHE 1089Cb -0.14 -1.69 0.00 0.00 0.51 0.00 0.00 43.02 41.70 2oec s PHE 1089CO -0.01 -0.62 -0.05 -0.51 0.70 0.00 0.00 175.22 174.73 2oec s LEU 1090N 1.05 2.96 -0.02 -0.37 1.43 -0.07 -0.61 118.68 123.06 2oec s LEU 1090Ca -0.03 -0.53 -0.19 0.00 -1.03 0.00 0.00 54.13 52.35 2oec s LEU 1090Cb -0.14 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.31 2oec s LEU 1090CO -0.05 -0.05 0.55 -0.60 0.23 0.00 0.00 176.35 176.42 2oec s ARG 1091N 1.44 4.26 -0.14 1.70 3.52 0.12 -0.19 118.95 129.66 2oec s ARG 1091Ca 0.04 0.64 0.02 0.00 -0.13 0.00 0.00 55.73 56.30 2oec s ARG 1091Cb -0.15 -3.34 0.00 0.00 -1.56 0.00 0.00 34.95 29.91 2oec s ARG 1091CO -0.04 0.39 -0.19 -1.50 -0.81 0.00 0.00 175.30 173.15 2oec s ILE 1092N -0.22 2.36 0.30 4.11 1.10 -1.22 -1.83 121.20 125.80 2oec s ILE 1092Ca 0.29 -0.88 0.07 0.00 -0.51 0.00 0.00 60.65 59.62 2oec s ILE 1092Cb -0.18 -1.97 -0.03 0.00 0.15 0.00 0.00 42.46 40.44 2oec s ILE 1092CO 0.16 0.53 0.26 0.61 -2.11 0.00 0.00 174.94 174.39 2oec n GLY 1093N 3.99 3.01 3.66 1.50 0.00 -0.68 -4.06 105.19 112.59 2oec n GLY 1093Ca -0.19 -1.86 -0.24 0.00 0.00 0.00 0.00 46.02 43.72 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 -3.20 3.58 0.03 2.61 -4.23 -1.26 -1.35 115.64 111.82 2oec s THR 1094Ca 0.36 -1.70 -0.24 0.00 -1.18 0.00 0.00 61.69 58.92 2oec s THR 1094Cb 0.02 -2.87 0.06 0.00 1.34 0.00 0.00 72.50 71.05 2oec s THR 1094CO 0.25 -0.27 0.56 0.28 -0.54 0.00 0.00 174.62 174.91 2oec s THR 1095N -2.06 0.02 -0.27 3.99 -1.32 -0.35 -4.87 115.64 110.78 2oec s THR 1095Ca 0.30 -0.16 -0.10 0.00 -1.21 0.00 0.00 61.69 60.52 2oec s THR 1095Cb -0.08 -0.97 -0.04 0.00 -1.51 0.00 0.00 72.50 69.90 2oec s THR 1095CO 0.19 -0.09 0.14 -0.83 -2.21 0.00 0.00 174.62 171.83 2oec s GLY 1096N -1.83 1.87 0.49 6.08 0.00 -1.19 -1.03 107.32 111.71 2oec s GLY 1096Ca -0.06 -1.10 -0.20 0.00 0.00 0.00 0.00 44.72 43.36 2oec s GLY 1096CO 0.00 0.60 1.02 0.00 0.00 0.00 0.00 173.10 174.72 2oec s ALA 1097N 1.69 2.91 0.00 3.20 0.00 -0.27 -1.07 121.76 128.22 2oec s ALA 1097Ca 0.07 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.53 2oec s ALA 1097Cb -0.16 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2oec s ALA 1097CO 0.08 -0.26 0.73 0.44 0.00 0.00 0.00 175.76 176.75 2oec n ILE 1098N -1.06 0.54 -4.30 0.00 -5.35 -0.33 -0.59 119.36 108.26 2oec n ILE 1098Ca 0.08 -0.65 -0.34 0.00 -0.27 0.00 0.00 62.75 61.57 2oec n ILE 1098Cb 0.53 0.80 -0.10 0.00 -1.74 0.00 0.00 39.64 39.13 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 3.41 0.43 6.28 -1.52 -1.24 -4.72 119.66 121.77 2oec s GLN 1099Ca 0.00 -0.42 0.13 0.00 -1.95 0.00 0.00 55.36 53.12 2oec s GLN 1099Cb 0.00 -2.92 1.00 0.00 -0.22 0.00 0.00 33.01 30.87 2oec s GLN 1099CO 0.00 0.47 1.98 -1.35 -0.25 0.00 0.00 175.29 176.14 2oec h PRO 1100N 5.96 0.43 0.00 2.91 0.11 -1.96 -2.54 132.00 136.90 2oec h PRO 1100Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2oec h PRO 1100Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2oec h PRO 1100CO 0.60 0.28 -0.02 -2.39 -0.21 0.00 0.00 178.00 176.27 2oec n HIS 1101N -4.47 0.32 -3.34 0.65 1.44 -1.26 -4.72 115.22 103.84 2oec n HIS 1101Ca 0.10 0.09 -0.38 0.00 -2.01 0.00 0.00 57.72 55.52 2oec n HIS 1101Cb 0.35 -0.65 -0.06 0.00 0.12 0.00 0.00 29.99 29.76 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 -3.04 5.19 0.11 0.61 1.01 -0.96 -5.08 121.20 119.04 2oec s ILE 1102Ca 0.13 0.92 0.04 0.00 0.00 0.00 0.00 60.65 61.74 2oec s ILE 1102Cb 0.17 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 2oec s ILE 1102CO 0.56 0.34 0.06 0.20 0.00 0.00 0.00 174.94 176.10 2oec s ASN 1103N 0.52 5.29 0.27 3.58 0.01 -1.26 -4.88 114.94 118.47 2oec s ASN 1103Ca 0.25 -0.12 -0.30 0.00 -0.71 0.00 0.00 52.86 51.98 2oec s ASN 1103Cb -0.15 -1.34 -0.10 0.00 0.41 0.00 0.00 41.25 40.07 2oec s ASN 1103CO 0.10 0.14 1.44 0.68 -1.51 0.00 0.00 177.10 177.95 2oec s VAL 1104N -1.47 2.59 0.00 1.60 -7.23 -1.26 -1.34 120.40 113.29 2oec s VAL 1104Ca 0.28 0.51 0.00 0.00 -1.81 0.00 0.00 61.98 60.96 2oec s VAL 1104Cb -0.11 -3.32 0.00 0.00 0.56 0.00 0.00 36.38 33.50 2oec s VAL 1104CO 0.21 0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.70 2oec n GLY 1105N 1.92 0.84 3.80 2.32 0.00 0.35 -5.00 105.19 109.42 2oec n GLY 1105Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.80 5.01 -0.12 1.61 1.01 -0.45 -4.76 116.67 117.17 2oec s ASP 1106Ca 0.00 1.66 -0.01 0.00 0.71 0.00 0.00 52.55 54.91 2oec s ASP 1106Cb 0.00 -2.47 -0.02 0.00 1.01 0.00 0.00 42.92 41.44 2oec s ASP 1106CO 0.00 -1.69 -0.09 -0.69 0.21 0.00 0.00 175.17 172.92 2oec s VAL 1107N -3.00 3.46 -0.13 -1.27 1.01 0.63 -1.08 120.40 120.02 2oec s VAL 1107Ca 0.59 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 62.05 2oec s VAL 1107Cb -0.15 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 2oec s VAL 1107CO 0.55 0.53 -0.15 -0.76 0.00 0.00 0.00 175.10 175.28 2oec s LEU 1108N 0.05 2.61 -0.15 3.92 1.43 0.18 -1.43 118.68 125.29 2oec s LEU 1108Ca -0.03 -0.37 -0.03 0.00 -1.03 0.00 0.00 54.13 52.67 2oec s LEU 1108Cb -0.14 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 2oec s LEU 1108CO 0.04 0.16 -0.04 -0.69 0.23 0.00 0.00 176.35 176.05 2oec s VAL 1109N 0.37 3.91 -0.22 -1.59 1.01 -0.15 -1.17 120.40 122.56 2oec s VAL 1109Ca -0.12 -0.36 -0.14 0.00 0.00 0.00 0.00 61.98 61.36 2oec s VAL 1109Cb -0.16 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 2oec s VAL 1109CO 0.06 0.50 0.34 -0.89 0.00 0.00 0.00 175.10 175.11 2oec s THR 1110N 0.23 5.24 -0.00 3.92 2.01 -0.54 -1.55 115.64 124.94 2oec s THR 1110Ca -0.02 0.56 -0.11 0.00 0.31 0.00 0.00 61.69 62.43 2oec s THR 1110Cb -0.14 -3.67 -0.32 0.00 0.01 0.00 0.00 72.50 68.39 2oec s THR 1110CO 0.03 0.26 0.85 0.71 -0.69 0.00 0.00 174.62 175.78 2oec h THR 1111N 5.07 1.13 -2.57 -0.82 1.35 -1.48 -3.41 112.91 112.18 2oec h THR 1111Ca -0.36 -2.66 0.10 0.00 -0.55 0.00 0.00 66.41 62.93 2oec h THR 1111Cb 1.16 2.87 -0.11 0.00 -1.73 0.00 0.00 68.15 70.35 2oec h THR 1111CO 0.69 0.84 0.39 0.00 -0.25 0.00 0.00 175.52 177.19 2oec s ALA 1112N -2.60 -1.63 0.08 6.62 0.00 -1.26 -0.53 121.76 122.44 2oec s ALA 1112Ca -0.12 0.43 0.08 0.00 0.00 0.00 0.00 51.96 52.35 2oec s ALA 1112Cb 0.05 0.65 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 2oec s ALA 1112CO 0.89 -0.87 -0.21 -1.12 0.00 0.00 0.00 175.76 174.45 2oec s SER 1113N -2.75 2.59 -0.09 0.00 0.01 -0.01 -1.98 113.70 111.47 2oec s SER 1113Ca 0.07 -0.62 -0.30 0.00 1.31 0.00 0.00 55.95 56.41 2oec s SER 1113Cb -0.02 -0.18 -0.03 0.00 0.21 0.00 0.00 66.02 66.01 2oec s SER 1113CO -0.04 0.11 1.24 -0.69 0.41 0.00 0.00 173.24 174.27 2oec s VAL 1114N -1.00 4.24 -1.23 3.43 1.01 0.10 -4.30 120.40 122.65 2oec s VAL 1114Ca 0.08 1.54 -0.17 0.00 0.00 0.00 0.00 61.98 63.42 2oec s VAL 1114Cb -0.10 -3.99 0.10 0.00 0.00 0.00 0.00 36.38 32.40 2oec s VAL 1114CO 0.03 -0.05 1.58 -0.13 0.00 0.00 0.00 175.10 176.53 2oec s ARG 1115N 2.72 3.97 -0.42 2.72 0.52 -1.26 -1.96 118.95 125.24 2oec s ARG 1115Ca 0.56 -2.10 0.01 0.00 -0.52 0.00 0.00 55.73 53.68 2oec s ARG 1115Cb -0.24 -5.34 0.45 0.00 0.52 0.00 0.00 34.95 30.35 2oec s ARG 1115CO 0.19 -2.07 1.84 1.28 0.02 0.00 0.00 175.30 176.57 2oec n LEU 1116N 7.46 6.43 0.00 2.53 4.77 -0.54 -4.92 117.00 132.72 2oec n LEU 1116Ca 0.42 -3.44 -0.26 0.00 -0.03 0.00 0.00 56.01 52.70 2oec n LEU 1116Cb 0.46 -0.86 -0.06 0.00 -2.33 0.00 0.00 43.42 40.62 2oec n LEU 1116CO 0.70 1.11 -0.19 -0.90 -1.33 0.00 0.00 177.39 176.78 2oec n ASP 1117N -0.62 2.42 -0.06 -1.43 5.75 -1.22 -1.36 116.55 120.04 2oec n ASP 1117Ca 0.48 -2.97 -0.07 0.00 -0.01 0.00 0.00 54.79 52.22 2oec n ASP 1117Cb 1.10 0.56 -0.07 0.00 -1.03 0.00 0.00 41.12 41.69 2oec n ASP 1117CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2oec n GLY 1118N -0.43 -0.30 0.27 6.12 0.00 -1.26 -4.74 105.19 104.85 2oec n GLY 1118Ca -0.13 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 0.21 1.38 -0.13 4.61 0.00 -1.98 -1.94 119.26 121.40 2oec h ALA 1119Ca -0.27 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.47 2oec h ALA 1119Cb 1.50 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2oec h ALA 1119CO -0.02 0.43 0.09 0.66 0.00 0.00 0.00 179.25 180.42 2oec h SER 1120N 0.47 0.04 0.81 0.00 4.64 -1.85 0.74 113.55 118.41 2oec h SER 1120Ca 0.10 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2oec h SER 1120Cb 0.34 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2oec h SER 1120CO 0.01 0.03 0.00 0.18 -0.87 0.00 0.00 176.83 176.18 2oec n LEU 1121N -4.51 0.45 -0.09 5.97 4.77 -0.73 -1.67 117.00 121.19 2oec n LEU 1121Ca -0.00 0.59 0.15 0.00 -0.03 0.00 0.00 56.01 56.72 2oec n LEU 1121Cb 0.18 -0.51 0.72 0.00 -2.33 0.00 0.00 43.42 41.49 2oec n LEU 1121CO 0.35 -0.37 0.96 1.41 -1.33 0.00 0.00 177.39 178.41 2oec n HIS 1122N -1.98 0.00 0.00 -1.77 8.25 0.25 -4.10 115.22 115.88 2oec n HIS 1122Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2oec n HIS 1122Cb 0.26 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.22 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 -0.95 0.00 -3.65 4.41 3.72 -0.73 -5.08 117.46 115.17 2oec n PHE 1123Ca 0.17 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.42 2oec n PHE 1123Cb 0.23 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.70 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 -1.94 -1.18 0.79 4.37 0.00 -0.67 -4.98 121.76 118.16 2oec s ALA 1124Ca 0.00 0.67 -0.12 0.00 0.00 0.00 0.00 51.96 52.50 2oec s ALA 1124Cb 0.00 0.11 0.08 0.00 0.00 0.00 0.00 23.12 23.31 2oec s ALA 1124CO 0.00 -0.34 1.16 -1.25 0.00 0.00 0.00 175.76 175.32 2oec s PRO 1125N -1.53 1.84 0.52 0.00 0.04 -1.26 -3.91 135.00 130.70 2oec s PRO 1125Ca -0.11 1.55 0.28 0.00 0.04 0.00 0.00 61.00 62.76 2oec s PRO 1125Cb -0.03 -1.82 1.40 0.00 0.04 0.00 0.00 34.50 34.10 2oec s PRO 1125CO 0.05 -2.02 1.90 1.98 0.04 0.00 0.00 177.00 178.95 2oec h MET 1126N -0.95 0.07 0.00 4.56 4.05 -1.93 -0.33 114.93 120.40 2oec h MET 1126Ca -0.45 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 58.96 2oec h MET 1126Cb 1.27 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 32.05 2oec h MET 1126CO 0.48 0.04 -0.01 0.93 0.23 0.00 0.00 176.91 178.58 2oec h GLU 1127N 0.07 0.00 -6.59 0.39 3.07 -2.02 -3.43 114.58 106.07 2oec h GLU 1127Ca 0.40 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.74 2oec h GLU 1127Cb 1.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.41 2oec h GLU 1127CO -0.03 0.01 0.49 0.12 -1.40 0.00 0.00 179.01 178.20 2oec s PHE 1128N -4.37 3.56 0.14 4.33 2.19 -0.14 -5.00 117.98 118.70 2oec s PHE 1128Ca -0.05 1.53 -0.30 0.00 0.33 0.00 0.00 56.93 58.45 2oec s PHE 1128Cb 0.14 -3.29 -0.07 0.00 -1.31 0.00 0.00 43.02 38.48 2oec s PHE 1128CO 0.50 -0.71 1.12 -1.25 1.83 0.00 0.00 175.22 176.71 2oec s PRO 1129N 0.14 4.55 -1.44 10.12 0.04 -1.26 -4.92 135.00 142.22 2oec s PRO 1129Ca 0.52 1.73 -0.14 0.00 0.04 0.00 0.00 61.00 63.15 2oec s PRO 1129Cb -0.29 -3.30 0.05 0.00 0.04 0.00 0.00 34.50 31.00 2oec s PRO 1129CO 0.33 -0.02 2.17 0.00 0.04 0.00 0.00 177.00 179.52 2oec n ALA 1130N 2.79 5.35 -2.82 8.56 0.00 -1.26 -4.73 120.51 128.40 2oec n ALA 1130Ca 0.04 -3.89 -0.36 0.00 0.00 0.00 0.00 53.44 49.23 2oec n ALA 1130Cb 0.46 -3.53 -0.07 0.00 0.00 0.00 0.00 19.45 16.31 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 3.22 5.13 0.57 0.00 0.11 -1.26 -0.83 120.40 127.33 2oec s VAL 1131Ca 0.47 0.03 -0.14 0.00 -2.93 0.00 0.00 61.98 59.42 2oec s VAL 1131Cb 0.13 -3.23 -0.06 0.00 -1.53 0.00 0.00 36.38 31.69 2oec s VAL 1131CO -0.07 0.59 1.01 0.00 -3.33 0.00 0.00 175.10 173.29 2oec s ALA 1132N -1.01 3.09 0.33 1.54 0.00 0.31 -4.66 121.76 121.35 2oec s ALA 1132Ca 0.16 0.05 -0.29 0.00 0.00 0.00 0.00 51.96 51.88 2oec s ALA 1132Cb -0.12 -3.10 -0.10 0.00 0.00 0.00 0.00 23.12 19.81 2oec s ALA 1132CO 0.05 -0.46 1.25 0.34 0.00 0.00 0.00 175.76 176.94 2oec s ASP 1133N -3.61 6.85 0.09 0.00 -1.08 -0.47 -4.93 116.67 113.51 2oec s ASP 1133Ca 0.57 2.57 -0.18 0.00 -0.52 0.00 0.00 52.55 54.99 2oec s ASP 1133Cb -0.10 -2.64 -0.08 0.00 -1.46 0.00 0.00 42.92 38.63 2oec s ASP 1133CO 0.42 -0.46 1.51 0.15 0.52 0.00 0.00 175.17 177.31 2oec h PHE 1134N 3.41 0.51 -0.43 -5.34 3.57 -1.95 -1.07 116.94 115.63 2oec h PHE 1134Ca -0.48 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 60.89 2oec h PHE 1134Cb 1.22 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 2oec h PHE 1134CO 0.56 0.63 0.11 0.00 -2.23 0.00 0.00 178.31 177.39 2oec h ALA 1135N 0.80 1.40 -0.14 2.41 0.00 -1.96 -0.52 119.26 121.25 2oec h ALA 1135Ca 0.07 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2oec h ALA 1135Cb 0.44 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2oec h ALA 1135CO 0.02 0.44 -0.10 0.00 0.00 0.00 0.00 179.25 179.60 2oec h THR 1137N -0.04 1.23 -0.33 0.00 2.02 -1.01 -1.03 112.91 113.75 2oec h THR 1137Ca 0.03 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.59 2oec h THR 1137Cb 0.61 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 2oec h THR 1137CO 0.03 0.26 0.21 0.74 0.37 0.00 0.00 175.52 177.13 2oec h THR 1138N 1.01 1.10 -0.77 3.16 2.02 -1.09 -0.61 112.91 117.73 2oec h THR 1138Ca 0.25 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 2oec h THR 1138Cb 0.08 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 2oec h THR 1138CO -0.04 0.10 0.45 0.00 0.37 0.00 0.00 175.52 176.41 2oec h ALA 1139N 1.10 0.99 -0.40 6.16 0.00 -0.91 -0.12 119.26 126.08 2oec h ALA 1139Ca 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2oec h ALA 1139Cb -0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2oec h ALA 1139CO -0.02 0.47 0.17 -0.07 0.00 0.00 0.00 179.25 179.80 2oec h LEU 1140N 1.06 0.54 -0.55 0.00 3.38 -0.96 0.82 115.31 119.61 2oec h LEU 1140Ca 0.28 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2oec h LEU 1140Cb -0.01 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2oec h LEU 1140CO -0.05 0.55 0.10 0.58 0.09 0.00 0.00 178.44 179.71 2oec h VAL 1141N 0.50 1.25 -0.24 1.22 2.07 -0.83 -0.78 116.25 119.43 2oec h VAL 1141Ca 0.13 -0.94 -0.13 0.00 0.82 0.00 0.00 66.70 66.58 2oec h VAL 1141Cb 0.17 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 2oec h VAL 1141CO -0.01 0.34 -0.40 -0.33 0.02 0.00 0.00 177.57 177.19 2oec h GLU 1142N 0.79 0.58 -0.68 1.57 4.39 -0.91 -2.91 114.58 117.41 2oec h GLU 1142Ca 0.17 -0.29 -0.08 0.00 0.34 0.00 0.00 59.36 59.50 2oec h GLU 1142Cb 0.40 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 2oec h GLU 1142CO 0.01 0.88 0.12 0.00 -1.16 0.00 0.00 179.01 178.86 2oec h ALA 1143N 1.08 0.93 -1.01 3.43 0.00 -0.68 -2.75 119.26 120.27 2oec h ALA 1143Ca 0.04 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.78 2oec h ALA 1143Cb 0.91 -0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.36 2oec h ALA 1143CO 0.08 0.67 0.64 0.00 0.00 0.00 0.00 179.25 180.64 2oec h ALA 1144N 1.08 1.46 -0.47 0.00 0.00 -0.95 0.16 119.26 120.54 2oec h ALA 1144Ca 0.21 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2oec h ALA 1144Cb 0.42 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2oec h ALA 1144CO 0.01 0.34 0.15 0.87 0.00 0.00 0.00 179.25 180.62 2oec h LYS 1145N 1.09 0.73 -0.93 0.00 1.57 -1.35 -0.91 116.57 116.78 2oec h LYS 1145Ca 0.47 -0.16 0.03 0.00 -1.87 0.00 0.00 60.65 59.12 2oec h LYS 1145Cb 0.33 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.48 2oec h LYS 1145CO -0.22 0.69 0.60 1.03 -0.57 0.00 0.00 179.45 180.99 2oec h SER 1146N 0.62 1.02 1.63 0.86 0.87 -0.93 -2.64 113.55 114.97 2oec h SER 1146Ca 0.15 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.63 2oec h SER 1146Cb 0.27 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 2oec h SER 1146CO -0.00 0.71 -0.34 0.40 -0.53 0.00 0.00 176.83 177.06 2oec h ILE 1147N 1.19 0.59 -3.23 2.23 1.08 -0.86 -3.48 117.51 115.03 2oec h ILE 1147Ca 0.36 -1.82 -0.06 0.00 -0.39 0.00 0.00 64.86 62.96 2oec h ILE 1147Cb -0.03 2.28 0.04 0.00 -3.07 0.00 0.00 36.82 36.04 2oec h ILE 1147CO -0.11 0.34 -0.17 0.61 -0.69 0.00 0.00 178.15 178.12 2oec n GLY 1148N 1.15 0.40 3.50 5.37 0.00 -0.37 -5.07 105.19 110.17 2oec n GLY 1148Ca 0.03 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.08 2.72 -0.37 4.61 0.00 -1.06 -5.07 121.76 119.51 2oec s ALA 1149Ca 0.06 -1.23 -0.29 0.00 0.00 0.00 0.00 51.96 50.50 2oec s ALA 1149Cb -0.01 -0.78 0.01 0.00 0.00 0.00 0.00 23.12 22.34 2oec s ALA 1149CO 0.15 0.59 1.38 0.99 0.00 0.00 0.00 175.76 178.88 2oec s THR 1150N -1.04 3.98 -0.06 0.00 2.01 -1.26 -4.82 115.64 114.45 2oec s THR 1150Ca 0.17 1.03 0.05 0.00 0.31 0.00 0.00 61.69 63.25 2oec s THR 1150Cb -0.11 -4.19 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 2oec s THR 1150CO 0.08 -0.67 -0.21 -0.89 -0.69 0.00 0.00 174.62 172.25 2oec s THR 1151N 5.08 1.73 0.00 -0.82 2.01 -1.26 -0.27 115.64 122.11 2oec s THR 1151Ca 0.60 -0.87 0.07 0.00 0.31 0.00 0.00 61.69 61.79 2oec s THR 1151Cb -0.15 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.86 2oec s THR 1151CO 0.30 0.49 -0.20 -1.00 -0.69 0.00 0.00 174.62 173.51 2oec s HIS 1152N 0.02 2.52 -0.13 4.92 3.76 -0.52 -4.99 115.29 120.86 2oec s HIS 1152Ca -0.06 -0.29 0.03 0.00 -0.15 0.00 0.00 55.06 54.59 2oec s HIS 1152Cb -0.13 -1.51 0.01 0.00 1.11 0.00 0.00 32.58 32.06 2oec s HIS 1152CO 0.03 0.15 -0.21 0.08 -0.85 0.00 0.00 174.74 173.94 2oec s VAL 1153N -0.78 2.01 -2.21 -0.90 1.01 -1.26 -0.98 120.40 117.29 2oec s VAL 1153Ca 0.12 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2oec s VAL 1153Cb -0.10 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.50 2oec s VAL 1153CO 0.02 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2oec n GLY 1154N 4.04 -0.65 3.78 4.51 0.00 -0.59 -4.95 105.19 111.33 2oec n GLY 1154Ca -0.20 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.84 5.04 -0.01 1.61 1.01 -1.26 -1.16 120.40 121.78 2oec s VAL 1155Ca 0.00 0.97 0.05 0.00 0.00 0.00 0.00 61.98 63.00 2oec s VAL 1155Cb 0.00 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 2oec s VAL 1155CO 0.00 0.47 -0.17 -0.89 0.00 0.00 0.00 175.10 174.51 2oec s THR 1156N -0.36 2.84 -0.41 3.92 2.01 -0.84 -0.62 115.64 122.18 2oec s THR 1156Ca 0.26 -0.94 -0.21 0.00 0.31 0.00 0.00 61.69 61.11 2oec s THR 1156Cb -0.17 -2.13 0.02 0.00 0.01 0.00 0.00 72.50 70.23 2oec s THR 1156CO 0.13 0.50 0.65 0.00 -0.69 0.00 0.00 174.62 175.21 2oec s ALA 1157N -0.79 3.38 -0.42 7.40 0.00 0.07 0.01 121.76 131.42 2oec s ALA 1157Ca 0.13 -1.07 -0.12 0.00 0.00 0.00 0.00 51.96 50.89 2oec s ALA 1157Cb -0.10 -3.27 0.05 0.00 0.00 0.00 0.00 23.12 19.80 2oec s ALA 1157CO 0.02 -1.65 0.28 0.45 0.00 0.00 0.00 175.76 174.86 2oec s SER 1158N 1.95 5.83 -0.06 0.00 0.15 -0.83 -1.08 113.70 119.66 2oec s SER 1158Ca 0.24 -1.23 -0.03 0.00 0.70 0.00 0.00 55.95 55.63 2oec s SER 1158Cb -0.14 -2.06 -0.04 0.00 -1.71 0.00 0.00 66.02 62.07 2oec s SER 1158CO 0.18 -0.50 0.07 -0.55 1.20 0.00 0.00 173.24 173.64 2oec s SER 1159N 1.99 5.72 0.00 5.45 0.15 0.75 -1.47 113.70 126.29 2oec s SER 1159Ca 0.03 0.24 0.18 0.00 0.70 0.00 0.00 55.95 57.09 2oec s SER 1159Cb -0.22 -1.70 0.76 0.00 -1.71 0.00 0.00 66.02 63.15 2oec s SER 1159CO 0.05 0.35 1.57 0.47 1.20 0.00 0.00 173.24 176.88 2oec n ASP 1160N 1.73 0.00 -4.23 5.45 9.92 -0.46 -4.34 116.55 124.62 2oec n ASP 1160Ca -0.17 0.50 -0.14 0.00 -0.53 0.00 0.00 54.79 54.45 2oec n ASP 1160Cb 0.54 -0.50 -0.10 0.00 -0.64 0.00 0.00 41.12 40.41 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 -3.00 1.08 0.01 -3.53 -4.23 -1.26 -5.02 115.64 99.69 2oec s THR 1161Ca 0.09 -1.96 0.11 0.00 -1.18 0.00 0.00 61.69 58.74 2oec s THR 1161Cb 0.12 -1.73 -0.21 0.00 1.34 0.00 0.00 72.50 72.02 2oec s THR 1161CO 0.32 -0.72 0.94 0.15 -0.54 0.00 0.00 174.62 174.78 2oec h PHE 1162N 2.97 0.00 0.00 3.99 3.04 -1.97 -3.39 116.94 121.58 2oec h PHE 1162Ca -0.37 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.58 2oec h PHE 1162Cb 1.19 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.70 2oec h PHE 1162CO 0.64 0.96 0.00 0.66 -2.02 0.00 0.00 178.31 178.55 2oec n TYR 1163N -3.16 0.00 -0.14 0.41 4.02 -1.26 -4.35 117.16 112.68 2oec n TYR 1163Ca -0.09 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.75 2oec n TYR 1163Cb 0.99 0.00 0.14 0.00 -0.02 0.00 0.00 39.34 40.45 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 0.87 0.00 -0.72 0.13 -1.88 0.16 132.00 130.56 2oec h PRO 1164Ca 0.00 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2oec h PRO 1164Cb 0.00 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.02 2oec h PRO 1164CO 0.00 0.83 0.00 0.78 -0.23 0.00 0.00 178.00 179.38 2oec h GLY 1165N 0.99 0.00 -2.22 1.56 0.00 -1.87 -0.51 103.07 101.02 2oec h GLY 1165Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 2oec h GLY 1165CO 0.01 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.49 2oec n GLN 1166N -2.35 3.55 -3.96 4.80 6.02 -0.92 -4.92 117.38 119.60 2oec n GLN 1166Ca 0.03 -2.92 -0.30 0.00 -0.01 0.00 0.00 57.00 53.79 2oec n GLN 1166Cb 0.28 -1.96 -0.01 0.00 1.02 0.00 0.00 30.24 29.57 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 -0.09 -2.17 -3.52 -1.09 2.13 -0.20 -4.93 120.64 110.76 2oec n GLU 1167Ca 0.23 0.33 -0.37 0.00 0.66 0.00 0.00 57.16 58.02 2oec n GLU 1167Cb 0.97 -4.08 -0.07 0.00 0.27 0.00 0.00 31.44 28.54 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 -6.65 4.14 -0.00 5.31 0.52 0.50 -4.98 118.95 117.79 2oec s ARG 1168Ca 0.16 0.19 0.15 0.00 -0.52 0.00 0.00 55.73 55.71 2oec s ARG 1168Cb -0.07 -3.37 -0.17 0.00 0.52 0.00 0.00 34.95 31.86 2oec s ARG 1168CO 0.91 0.36 0.59 0.66 0.02 0.00 0.00 175.30 177.84 2oec n TYR 1169N 3.12 0.00 -1.22 -0.53 4.02 -1.26 -4.34 117.16 116.95 2oec n TYR 1169Ca -0.12 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.44 2oec n TYR 1169Cb 0.52 -0.05 -0.06 0.00 -0.02 0.00 0.00 39.34 39.73 2oec n TYR 1169CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 2oec n ASP 1170N -1.44 7.88 -4.57 7.72 5.75 -1.26 -4.14 116.55 126.49 2oec n ASP 1170Ca 0.02 -2.54 -0.31 0.00 -0.01 0.00 0.00 54.79 51.95 2oec n ASP 1170Cb 0.25 -1.51 -0.08 0.00 -1.03 0.00 0.00 41.12 38.75 2oec n ASP 1170CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2oec s THR 1171N 1.95 0.99 0.17 2.12 -4.23 -1.26 -5.01 115.64 110.36 2oec s THR 1171Ca 0.68 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 59.04 2oec s THR 1171Cb 0.21 -2.20 0.07 0.00 1.34 0.00 0.00 72.50 71.91 2oec s THR 1171CO -0.05 0.00 1.72 0.22 -0.54 0.00 0.00 174.62 175.97 2oec h TYR 1172N 1.46 0.08 0.00 3.99 3.20 -1.98 -2.96 116.97 120.77 2oec h TYR 1172Ca -0.41 0.03 -0.20 0.00 3.14 0.00 0.00 58.73 61.28 2oec h TYR 1172Cb 1.30 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.57 2oec h TYR 1172CO 1.54 -0.02 -1.14 0.66 -1.64 0.00 0.00 178.16 177.57 2oec h SER 1173N 0.18 0.00 0.00 -2.11 4.64 -1.96 -3.47 113.55 110.83 2oec h SER 1173Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2oec h SER 1173Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2oec h SER 1173CO -0.28 0.82 0.00 0.61 -0.87 0.00 0.00 176.83 177.11 2oec n GLY 1174N 1.38 0.42 3.71 -0.77 0.00 -1.12 -4.98 105.19 103.83 2oec n GLY 1174Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 2oec n GLY 1174CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2oec s ARG 1175N -0.65 3.25 -0.05 1.61 3.52 -1.26 -4.90 118.95 120.46 2oec s ARG 1175Ca 0.00 -0.35 0.04 0.00 -0.13 0.00 0.00 55.73 55.30 2oec s ARG 1175Cb 0.00 -2.94 -0.00 0.00 -1.56 0.00 0.00 34.95 30.45 2oec s ARG 1175CO 0.00 0.64 -0.18 0.14 -0.81 0.00 0.00 175.30 175.09 2oec s VAL 1176N -0.68 1.53 0.49 7.11 -7.23 -1.26 -4.92 120.40 115.44 2oec s VAL 1176Ca 0.11 -0.76 -0.23 0.00 -1.81 0.00 0.00 61.98 59.29 2oec s VAL 1176Cb -0.12 -1.32 -0.08 0.00 0.56 0.00 0.00 36.38 35.43 2oec s VAL 1176CO 0.02 0.44 1.21 0.55 -0.31 0.00 0.00 175.10 177.01 2oec n VAL 1177N 3.22 3.10 -0.19 1.32 3.14 -1.26 -4.58 118.33 123.09 2oec n VAL 1177Ca -0.19 -0.50 -0.03 0.00 -2.96 0.00 0.00 64.34 60.66 2oec n VAL 1177Cb 0.53 -1.47 -0.02 0.00 -1.06 0.00 0.00 33.84 31.82 2oec n VAL 1177CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2oec n ARG 1178N -0.43 -0.16 -0.33 1.45 0.63 -1.26 -0.91 116.66 115.64 2oec n ARG 1178Ca 0.09 0.70 0.15 0.00 -0.92 0.00 0.00 57.85 57.87 2oec n ARG 1178Cb 0.42 -1.03 0.34 0.00 0.45 0.00 0.00 32.46 32.64 2oec n ARG 1178CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2oec h ARG 1179N 0.00 0.55 -0.02 -0.14 2.43 -2.02 -1.49 114.38 113.68 2oec h ARG 1179Ca 0.11 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2oec h ARG 1179Cb 0.23 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2oec h ARG 1179CO -0.44 0.36 -0.14 1.19 -1.51 0.00 0.00 179.97 179.43 2oec n PHE 1180N -4.91 0.00 -1.91 2.20 3.72 -0.09 -4.71 117.46 111.76 2oec n PHE 1180Ca 0.24 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.22 2oec n PHE 1180Cb 0.67 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.18 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 -2.15 4.18 -0.35 -1.08 1.02 -0.56 -2.17 119.74 118.62 2oec s LYS 1181Ca 0.26 2.33 0.00 0.00 0.02 0.00 0.00 55.97 58.58 2oec s LYS 1181Cb 0.20 -3.83 0.00 0.00 -0.52 0.00 0.00 37.83 33.68 2oec s LYS 1181CO 0.38 -0.81 0.00 0.41 -0.92 0.00 0.00 175.35 174.41 2oec n GLY 1182N 4.14 0.63 0.16 -3.33 0.00 -1.26 -4.93 105.19 100.59 2oec n GLY 1182Ca 0.17 -0.42 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 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 0.64 -0.79 1.61 4.64 -1.72 -3.23 113.55 114.71 2oec h SER 1183Ca -0.07 -0.56 -0.02 0.00 -0.47 0.00 0.00 61.79 60.66 2oec h SER 1183Cb 0.35 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 62.20 2oec h SER 1183CO 0.10 1.38 0.40 -0.03 -0.87 0.00 0.00 176.83 177.81 2oec h MET 1184N 0.23 1.12 -0.54 4.77 -1.53 -1.92 -0.71 114.93 116.36 2oec h MET 1184Ca -0.12 -0.16 -0.07 0.00 -3.44 0.00 0.00 59.70 55.91 2oec h MET 1184Cb 1.75 -0.21 -0.02 0.00 -0.55 0.00 0.00 31.60 32.57 2oec h MET 1184CO 0.19 0.86 0.06 0.93 0.14 0.00 0.00 176.91 179.10 2oec h GLU 1185N 1.11 0.87 -0.42 0.39 5.08 -1.98 -1.39 114.58 118.25 2oec h GLU 1185Ca 0.27 -0.22 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 2oec h GLU 1185Cb 0.09 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2oec h GLU 1185CO -0.04 0.83 -0.16 1.49 -1.00 0.00 0.00 179.01 180.14 2oec h GLU 1186N 0.83 0.84 -0.66 2.33 4.81 -1.44 -0.04 114.58 121.26 2oec h GLU 1186Ca 0.17 -0.35 -0.00 0.00 -0.13 0.00 0.00 59.36 59.05 2oec h GLU 1186Cb 0.40 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 2oec h GLU 1186CO 0.01 0.98 0.41 -1.49 -0.73 0.00 0.00 179.01 178.20 2oec h TRP 1187N 0.66 0.85 -0.41 0.92 -0.00 -0.93 -0.71 115.95 116.34 2oec h TRP 1187Ca 0.10 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.00 2oec h TRP 1187Cb 0.71 -0.28 -0.02 0.00 -0.00 0.00 0.00 29.16 29.56 2oec h TRP 1187CO 0.05 0.56 0.27 1.96 -0.00 0.00 0.00 178.44 181.28 2oec h GLN 1188N 0.89 0.55 0.00 0.49 4.20 -1.12 -0.32 115.11 119.81 2oec h GLN 1188Ca 0.24 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 2oec h GLN 1188Cb -0.05 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.60 2oec h GLN 1188CO -0.05 0.38 -0.07 0.00 -0.67 0.00 0.00 178.83 178.42 2oec h ALA 1189N 1.14 1.14 -0.12 3.87 0.00 -0.60 -1.06 119.26 123.62 2oec h ALA 1189Ca 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2oec h ALA 1189Cb -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2oec h ALA 1189CO -0.03 0.09 0.00 -1.33 0.00 0.00 0.00 179.25 177.98 2oec n MET 1190N -3.37 1.75 -0.92 0.00 2.81 -0.31 -4.93 117.12 112.16 2oec n MET 1190Ca -0.01 -1.12 0.00 0.00 -1.81 0.00 0.00 57.70 54.76 2oec n MET 1190Cb 0.23 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 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 1.17 0.52 3.76 3.03 0.00 -0.40 -5.01 105.19 108.25 2oec n GLY 1191Ca 0.17 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2oec n GLY 1191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oec s VAL 1192N -2.00 2.26 -0.01 1.61 1.01 -0.20 -4.70 120.40 118.38 2oec s VAL 1192Ca 0.00 0.24 -0.19 0.00 0.00 0.00 0.00 61.98 62.03 2oec s VAL 1192Cb 0.00 -3.15 -0.33 0.00 0.00 0.00 0.00 36.38 32.90 2oec s VAL 1192CO 0.00 0.04 0.95 0.24 0.00 0.00 0.00 175.10 176.34 2oec h MET 1193N 4.35 0.43 -2.55 2.72 0.00 -1.19 -3.42 114.93 115.27 2oec h MET 1193Ca -0.48 -0.72 0.12 0.00 0.00 0.00 0.00 59.70 58.62 2oec h MET 1193Cb 1.22 0.26 -0.09 0.00 0.00 0.00 0.00 31.60 33.00 2oec h MET 1193CO 0.74 1.34 0.40 0.54 0.00 0.00 0.00 176.91 179.93 2oec s ASN 1194N -7.27 -0.28 -0.03 1.22 4.22 -1.26 -1.19 114.94 110.36 2oec s ASN 1194Ca -0.11 -0.32 -0.01 0.00 -2.14 0.00 0.00 52.86 50.28 2oec s ASN 1194Cb 0.02 0.53 -0.04 0.00 1.28 0.00 0.00 41.25 43.05 2oec s ASN 1194CO 0.89 -0.95 0.07 -0.31 -2.04 0.00 0.00 177.10 174.76 2oec s TYR 1195N -3.45 3.28 0.00 1.54 2.02 -0.23 -0.75 117.35 119.76 2oec s TYR 1195Ca 0.09 0.23 0.00 0.00 -0.37 0.00 0.00 57.07 57.02 2oec s TYR 1195Cb -0.02 -1.76 0.00 0.00 -0.40 0.00 0.00 41.96 39.78 2oec s TYR 1195CO -0.01 0.55 0.00 -0.85 -1.57 0.00 0.00 175.55 173.67 2oec n GLU 1196N 1.45 0.00 0.00 -0.62 -0.00 -0.24 -3.15 120.64 118.07 2oec n GLU 1196Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.01 2oec n GLU 1196Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 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 0.30 0.00 3.44 2.81 -1.26 -0.18 117.12 122.24 2oec n MET 1197Ca 0.00 -0.50 0.00 0.00 -1.81 0.00 0.00 57.70 55.39 2oec n MET 1197Cb 0.00 -0.69 0.00 0.00 -0.71 0.00 0.00 33.22 31.82 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 -0.09 2.42 -0.22 0.03 4.71 -1.26 -3.17 120.64 123.06 2oec n GLU 1198Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.07 2oec n GLU 1198Cb 0.27 -0.79 0.04 0.00 -1.01 0.00 0.00 31.44 29.94 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 1.05 -0.35 1.62 4.64 -1.94 -1.24 113.55 117.33 2oec h SER 1199Ca 0.00 -0.28 0.06 0.00 -0.47 0.00 0.00 61.79 61.10 2oec h SER 1199Cb 0.26 -0.28 -0.06 0.00 -0.31 0.00 0.00 62.40 62.01 2oec h SER 1199CO 0.00 1.08 -0.02 0.00 -0.87 0.00 0.00 176.83 177.02 2oec h ALA 1200N 1.03 0.31 0.14 5.18 0.00 -1.86 0.19 119.26 124.24 2oec h ALA 1200Ca 0.19 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2oec h ALA 1200Cb 0.51 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2oec h ALA 1200CO 0.02 -0.41 -0.07 1.15 0.00 0.00 0.00 179.25 179.95 2oec h THR 1201N 0.08 0.99 -0.08 0.00 2.02 -1.89 -1.98 112.91 112.05 2oec h THR 1201Ca 0.17 -0.55 0.04 0.00 0.77 0.00 0.00 66.41 66.85 2oec h THR 1201Cb 0.24 1.33 -0.05 0.00 -1.74 0.00 0.00 68.15 67.93 2oec h THR 1201CO -0.30 0.13 -0.26 0.25 0.37 0.00 0.00 175.52 175.71 2oec h LEU 1202N -0.44 -0.78 -0.45 2.58 5.85 -0.77 -1.69 115.31 119.61 2oec h LEU 1202Ca -0.02 0.12 -0.14 0.00 0.84 0.00 0.00 57.88 58.68 2oec h LEU 1202Cb 0.35 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 2oec h LEU 1202CO 0.03 -0.31 -0.25 -0.07 -0.34 0.00 0.00 178.44 177.50 2oec h LEU 1203N -0.35 1.00 -0.24 2.25 3.38 -0.71 -2.33 115.31 118.31 2oec h LEU 1203Ca 0.09 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 2oec h LEU 1203Cb 0.47 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2oec h LEU 1203CO -0.28 1.19 0.04 0.74 0.09 0.00 0.00 178.44 180.22 2oec h THR 1204N 0.81 1.23 0.00 0.22 2.02 -1.16 -0.96 112.91 115.06 2oec h THR 1204Ca 0.10 -0.76 -0.07 0.00 0.77 0.00 0.00 66.41 66.44 2oec h THR 1204Cb 0.83 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 2oec h THR 1204CO 0.07 0.24 -0.34 0.00 0.37 0.00 0.00 175.52 175.86 2oec h MET 1205N 0.21 0.00 0.16 6.66 -0.00 -1.28 -1.57 114.93 119.11 2oec h MET 1205Ca 0.07 0.00 -0.26 0.00 -0.00 0.00 0.00 59.70 59.51 2oec h MET 1205Cb 0.32 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 31.94 2oec h MET 1205CO 0.00 0.34 -1.23 0.00 -0.00 0.00 0.00 176.91 176.03 2oec h ALA 1207N 0.05 1.35 -0.20 0.00 0.00 -1.10 -0.56 119.26 118.81 2oec h ALA 1207Ca -0.24 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2oec h ALA 1207Cb 1.83 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2oec h ALA 1207CO 0.15 0.37 0.00 -1.13 0.00 0.00 0.00 179.25 178.64 2oec n SER 1208N -3.96 2.57 -0.02 0.00 3.41 -0.60 -4.23 113.62 110.79 2oec n SER 1208Ca -0.02 -1.85 0.00 0.00 -0.26 0.00 0.00 58.87 56.75 2oec n SER 1208Cb 0.37 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 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 1.17 -1.58 4.33 6.02 -0.98 -5.02 117.38 122.26 2oec n GLN 1209Ca 0.17 -0.96 -0.06 0.00 -0.01 0.00 0.00 57.00 56.15 2oec n GLN 1209Cb 0.49 -0.72 -0.01 0.00 1.02 0.00 0.00 30.24 31.02 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 -0.23 0.52 3.67 1.08 0.00 -0.83 -5.02 105.19 104.38 2oec n GLY 1210Ca 0.00 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.43 3.47 -0.04 0.99 1.43 -0.28 -5.05 118.68 117.77 2oec s LEU 1211Ca 0.00 -0.05 -0.21 0.00 -1.03 0.00 0.00 54.13 52.83 2oec s LEU 1211Cb 0.00 -2.03 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 2oec s LEU 1211CO 0.00 0.26 0.61 -0.13 0.23 0.00 0.00 176.35 177.32 2oec s ARG 1212N -1.69 4.37 0.02 1.70 0.52 -0.45 -3.97 118.95 119.45 2oec s ARG 1212Ca 0.20 0.74 0.03 0.00 -0.52 0.00 0.00 55.73 56.18 2oec s ARG 1212Cb -0.11 -3.39 -0.01 0.00 0.52 0.00 0.00 34.95 31.95 2oec s ARG 1212CO 0.12 0.23 -0.08 0.00 0.02 0.00 0.00 175.30 175.58 2oec s ALA 1213N 0.28 0.68 0.13 2.13 0.00 -1.26 -0.03 121.76 123.69 2oec s ALA 1213Ca 0.32 -0.52 0.05 0.00 0.00 0.00 0.00 51.96 51.82 2oec s ALA 1213Cb -0.18 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 2oec s ALA 1213CO 0.16 0.11 -0.13 0.20 0.00 0.00 0.00 175.76 176.11 2oec s GLY 1214N -0.73 1.07 -0.05 0.00 0.00 0.22 -1.37 107.32 106.46 2oec s GLY 1214Ca -0.01 -1.34 -0.02 0.00 0.00 0.00 0.00 44.72 43.35 2oec s GLY 1214CO 0.00 -1.42 0.04 -0.29 0.00 0.00 0.00 173.10 171.44 2oec s MET 1215N -2.98 0.14 0.03 2.90 1.75 -1.26 -0.70 119.30 119.18 2oec s MET 1215Ca 0.11 0.29 0.02 0.00 -1.25 0.00 0.00 55.69 54.86 2oec s MET 1215Cb -0.03 -0.65 -0.02 0.00 2.84 0.00 0.00 34.83 36.97 2oec s MET 1215CO 0.02 -0.32 -0.06 0.54 -0.65 0.00 0.00 175.02 174.55 2oec s VAL 1216N 2.08 0.43 -0.17 10.11 0.11 -0.76 -1.47 120.40 130.73 2oec s VAL 1216Ca 0.05 -1.00 -0.23 0.00 -2.93 0.00 0.00 61.98 57.87 2oec s VAL 1216Cb -0.12 -0.51 0.06 0.00 -1.53 0.00 0.00 36.38 34.28 2oec s VAL 1216CO -0.04 -0.39 0.59 0.00 -3.33 0.00 0.00 175.10 171.93 2oec s ALA 1217N -1.35 -1.49 0.08 1.54 0.00 -0.32 -1.69 121.76 118.53 2oec s ALA 1217Ca -0.11 1.48 -0.23 0.00 0.00 0.00 0.00 51.96 53.10 2oec s ALA 1217Cb -0.10 -0.66 -0.06 0.00 0.00 0.00 0.00 23.12 22.30 2oec s ALA 1217CO 0.00 -0.30 0.71 0.20 0.00 0.00 0.00 175.76 176.37 2oec s GLY 1218N -0.19 2.78 -0.27 0.00 0.00 -0.46 -0.64 107.32 108.54 2oec s GLY 1218Ca -0.04 0.22 -0.29 0.00 0.00 0.00 0.00 44.72 44.61 2oec s GLY 1218CO 0.03 0.86 1.06 0.14 0.00 0.00 0.00 173.10 175.19 2oec s VAL 1219N -0.60 4.59 -1.01 1.40 1.01 -0.24 -1.21 120.40 124.34 2oec s VAL 1219Ca 0.35 1.89 0.16 0.00 0.00 0.00 0.00 61.98 64.38 2oec s VAL 1219Cb -0.21 -4.35 -0.12 0.00 0.00 0.00 0.00 36.38 31.70 2oec s VAL 1219CO 0.22 -0.32 0.74 2.30 0.00 0.00 0.00 175.10 178.04 2oec n ILE 1220N 5.58 0.00 -3.52 2.22 -5.35 -0.19 -0.50 119.36 117.60 2oec n ILE 1220Ca 0.12 -0.19 -0.12 0.00 -0.27 0.00 0.00 62.75 62.28 2oec n ILE 1220Cb 0.46 1.07 -0.04 0.00 -1.74 0.00 0.00 39.64 39.39 2oec n ILE 1220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2oec s VAL 1221N -2.31 0.00 -0.17 7.28 0.11 -1.24 -4.95 120.40 119.12 2oec s VAL 1221Ca 0.09 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.14 2oec s VAL 1221Cb 0.12 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.99 2oec s VAL 1221CO 0.57 0.00 -0.18 0.21 -3.33 0.00 0.00 175.10 172.37 2oec s ASN 1222N -1.76 2.99 0.39 3.54 3.84 -1.26 -1.11 114.94 121.56 2oec s ASN 1222Ca -0.02 -0.60 0.28 0.00 0.21 0.00 0.00 52.86 52.73 2oec s ASN 1222Cb -0.01 -1.39 1.08 0.00 -0.55 0.00 0.00 41.25 40.38 2oec s ASN 1222CO -0.01 -0.01 1.82 0.03 -2.79 0.00 0.00 177.10 176.14 2oec h ARG 1223N 7.92 0.00 0.00 0.43 2.47 -1.18 -2.65 114.38 121.37 2oec h ARG 1223Ca -0.43 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.19 2oec h ARG 1223Cb 1.14 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.45 2oec h ARG 1223CO 0.60 0.00 -0.49 1.79 0.56 0.00 0.00 179.97 182.44 2oec h THR 1224N 0.00 0.78 0.00 2.04 1.35 -1.85 -3.51 112.91 111.73 2oec h THR 1224Ca 0.00 -2.10 0.00 0.00 -0.55 0.00 0.00 66.41 63.76 2oec h THR 1224Cb 0.51 2.37 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 2oec h THR 1224CO 0.00 0.44 0.00 0.00 -0.25 0.00 0.00 175.52 175.71 2oec n GLN 1225N -3.20 0.00 0.00 4.72 6.02 -1.00 -5.08 117.38 118.83 2oec n GLN 1225Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2oec n GLN 1225Cb 0.72 -0.13 0.00 0.00 1.02 0.00 0.00 30.24 31.85 2oec n GLN 1225CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2oec n GLU 1238N -2.85 0.00 -0.07 -1.09 -0.58 -1.26 -4.96 120.64 109.83 2oec n GLU 1238Ca 0.00 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.52 2oec n GLU 1238Cb 0.00 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 30.75 2oec n GLU 1238CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2oec n SER 1239N 0.00 1.96 0.07 1.62 2.88 -1.26 -2.22 113.62 116.68 2oec n SER 1239Ca 0.00 0.34 -0.12 0.00 -1.33 0.00 0.00 58.87 57.76 2oec n SER 1239Cb 0.00 -0.92 -0.06 0.00 -0.75 0.00 0.00 64.21 62.48 2oec n SER 1239CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2oec h HIS 1240N -0.62 -0.27 -0.97 0.66 3.86 -1.99 -0.14 115.15 115.68 2oec h HIS 1240Ca -0.39 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 58.90 2oec h HIS 1240Cb 1.58 0.11 -0.07 0.00 1.06 0.00 0.00 27.41 30.09 2oec h HIS 1240CO 0.08 -0.16 0.61 0.00 0.86 0.00 0.00 177.93 179.32 2oec h ALA 1241N 0.71 1.37 -0.29 2.45 0.00 -1.93 0.96 119.26 122.54 2oec h ALA 1241Ca 0.02 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2oec h ALA 1241Cb 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2oec h ALA 1241CO -0.07 0.34 -0.11 0.28 0.00 0.00 0.00 179.25 179.69 2oec h VAL 1242N 1.07 1.29 -0.78 0.00 2.07 -1.15 -1.18 116.25 117.57 2oec h VAL 1242Ca 0.44 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 2oec h VAL 1242Cb 0.26 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 2oec h VAL 1242CO -0.20 0.38 0.37 0.11 0.02 0.00 0.00 177.57 178.25 2oec h LYS 1243N 0.35 1.13 -0.21 1.57 1.57 -0.62 -1.63 116.57 118.73 2oec h LYS 1243Ca 0.07 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2oec h LYS 1243Cb 0.62 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 2oec h LYS 1243CO 0.04 0.88 0.13 0.82 -0.57 0.00 0.00 179.45 180.75 2oec h ILE 1244N 1.11 1.08 -0.22 1.86 2.04 -0.70 -0.81 117.51 121.86 2oec h ILE 1244Ca 0.27 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.89 2oec h ILE 1244Cb 0.13 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 2oec h ILE 1244CO -0.03 0.07 -0.10 1.62 0.00 0.00 0.00 178.15 179.72 2oec h VAL 1245N 0.26 1.19 -0.21 1.67 3.04 -0.93 0.68 116.25 121.96 2oec h VAL 1245Ca 0.08 -0.83 -0.13 0.00 -1.01 0.00 0.00 66.70 64.80 2oec h VAL 1245Cb 0.01 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.42 2oec h VAL 1245CO -0.01 0.27 -0.40 0.58 -1.01 0.00 0.00 177.57 177.00 2oec h VAL 1246N 0.34 1.32 -0.39 1.51 2.07 -1.08 -1.83 116.25 118.20 2oec h VAL 1246Ca 0.07 -1.62 -0.11 0.00 0.82 0.00 0.00 66.70 65.86 2oec h VAL 1246Cb 0.38 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 2oec h VAL 1246CO 0.02 0.50 -0.21 -0.08 0.02 0.00 0.00 177.57 177.82 2oec h GLU 1247N 0.32 0.76 -0.37 1.57 4.57 -0.76 -2.57 114.58 118.10 2oec h GLU 1247Ca 0.01 -0.30 -0.10 0.00 -1.18 0.00 0.00 59.36 57.79 2oec h GLU 1247Cb 1.00 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.53 2oec h GLU 1247CO 0.09 0.91 -0.16 0.00 -1.18 0.00 0.00 179.01 178.67 2oec h ALA 1248N 1.10 1.02 -0.94 2.92 0.00 -0.90 -2.65 119.26 119.80 2oec h ALA 1248Ca 0.09 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.72 2oec h ALA 1248Cb 0.71 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 2oec h ALA 1248CO 0.05 0.59 0.62 0.00 0.00 0.00 0.00 179.25 180.51 2oec h ALA 1249N 1.21 1.41 -0.69 0.00 0.00 -1.02 -1.54 119.26 118.62 2oec h ALA 1249Ca 0.10 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.05 2oec h ALA 1249Cb 0.62 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 2oec h ALA 1249CO 0.04 0.49 0.34 0.00 0.00 0.00 0.00 179.25 180.13 2oec h ARG 1250N 1.17 0.58 0.00 0.00 3.08 -1.10 -1.82 114.38 116.28 2oec h ARG 1250Ca 0.38 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.40 2oec h ARG 1250Cb 0.04 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.96 2oec h ARG 1250CO -0.12 0.38 0.00 0.54 -1.07 0.00 0.00 179.97 179.70 2oec n ARG 1251N -4.86 0.00 -0.00 0.04 1.74 -0.60 -3.00 116.66 109.98 2oec n ARG 1251Ca 0.10 0.15 0.06 0.00 -0.77 0.00 0.00 57.85 57.40 2oec n ARG 1251Cb 0.25 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.24 2oec n ARG 1251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2oec n LEU 1252N -1.50 2.01 0.00 0.55 4.77 -0.71 -5.05 117.00 117.07 2oec n LEU 1252Ca 0.05 -1.01 0.14 0.00 -0.03 0.00 0.00 56.01 55.16 2oec n LEU 1252Cb 0.23 -0.00 0.85 0.00 -2.33 0.00 0.00 43.42 42.17 2oec n LEU 1252CO 0.19 0.38 1.02 0.18 -1.33 0.00 0.00 177.39 177.82