#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uup n GLN 1002N 0.00 1.42 -1.40 3.69 7.27 -1.26 -3.92 117.38 123.18 1uup n GLN 1002Ca 0.00 0.53 -0.39 0.00 0.07 0.00 0.00 57.00 57.21 1uup n GLN 1002Cb 0.00 -2.42 0.03 0.00 2.41 0.00 0.00 30.24 30.25 1uup n GLN 1002CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1uup n ASP 1003N -0.88 -1.81 -4.50 1.69 10.43 -1.26 -4.90 116.55 115.32 1uup n ASP 1003Ca 0.12 0.73 -0.28 0.00 2.57 0.00 0.00 54.79 57.92 1uup n ASP 1003Cb 0.45 -1.07 0.25 0.00 1.84 0.00 0.00 41.12 42.59 1uup n ASP 1003CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 1uup s PRO 1004N -1.70 -0.81 -0.11 -0.24 0.04 -1.26 -5.03 135.00 125.89 1uup s PRO 1004Ca 0.65 0.88 -0.01 0.00 0.04 0.00 0.00 61.00 62.55 1uup s PRO 1004Cb -0.48 -1.56 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1uup s PRO 1004CO 0.58 -3.66 -0.06 0.34 0.04 0.00 0.00 177.00 174.24 1uup s ASP 1005N -2.54 4.69 0.31 6.66 -1.08 -1.26 -5.01 116.67 118.44 1uup s ASP 1005Ca 0.68 -0.08 0.06 0.00 -0.52 0.00 0.00 52.55 52.70 1uup s ASP 1005Cb -0.25 -1.47 0.86 0.00 -1.46 0.00 0.00 42.92 40.61 1uup s ASP 1005CO 0.64 0.27 1.61 -0.65 0.52 0.00 0.00 175.17 177.56 1uup h PRO 1006N 5.93 0.11 -0.01 4.34 0.11 -1.98 1.52 132.00 142.03 1uup h PRO 1006Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1uup h PRO 1006Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1uup h PRO 1006CO 0.57 0.08 -0.04 -1.13 -0.21 0.00 0.00 178.00 177.27 1uup n SER 1007N -5.30 0.73 -1.40 -2.05 3.41 -1.26 -3.49 113.62 104.26 1uup n SER 1007Ca 0.26 -1.08 0.12 0.00 -0.26 0.00 0.00 58.87 57.90 1uup n SER 1007Cb 0.84 -0.01 0.33 0.00 -0.26 0.00 0.00 64.21 65.10 1uup n SER 1007CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1uup n GLN 1008N -0.52 2.87 -4.40 4.33 7.27 0.52 -4.93 117.38 122.51 1uup n GLN 1008Ca 0.19 -2.71 -0.34 0.00 0.07 0.00 0.00 57.00 54.21 1uup n GLN 1008Cb 0.25 -1.62 -0.11 0.00 2.41 0.00 0.00 30.24 31.18 1uup n GLN 1008CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1uup s LEU 1009N -1.11 3.43 0.36 1.69 1.43 -1.11 -4.74 118.68 118.62 1uup s LEU 1009Ca 0.50 0.03 -0.27 0.00 -1.03 0.00 0.00 54.13 53.36 1uup s LEU 1009Cb 0.27 -1.80 -0.09 0.00 0.03 0.00 0.00 46.19 44.60 1uup s LEU 1009CO 0.33 0.30 1.21 -1.00 0.23 0.00 0.00 176.35 177.41 1uup s HIS 1010N -0.40 3.13 -0.26 0.29 3.76 -1.26 -5.01 115.29 115.53 1uup s HIS 1010Ca 0.07 1.53 -0.09 0.00 -0.15 0.00 0.00 55.06 56.41 1uup s HIS 1010Cb -0.12 -3.49 -0.04 0.00 1.11 0.00 0.00 32.58 30.04 1uup s HIS 1010CO 0.02 -1.41 0.13 1.03 -0.85 0.00 0.00 174.74 173.66 1uup s ARG 1011N -1.98 3.82 0.55 1.40 0.52 -1.26 -4.53 118.95 117.47 1uup s ARG 1011Ca 0.52 -0.39 0.22 0.00 -0.52 0.00 0.00 55.73 55.56 1uup s ARG 1011Cb -0.34 -3.50 1.47 0.00 0.52 0.00 0.00 34.95 33.09 1uup s ARG 1011CO 0.44 -0.18 2.14 0.66 0.02 0.00 0.00 175.30 178.38 1uup h SER 1012N 8.29 0.00 0.18 0.23 4.64 -1.37 -1.48 113.55 124.04 1uup h SER 1012Ca -0.37 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.95 1uup h SER 1012Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1uup h SER 1012CO 0.56 0.00 -0.04 0.77 -0.87 0.00 0.00 176.83 177.25 1uup h SER 1013N 0.00 0.00 0.52 4.97 4.64 -1.87 -2.56 113.55 119.25 1uup h SER 1013Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1uup h SER 1013Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1uup h SER 1013CO -0.00 0.04 -1.05 0.18 -0.87 0.00 0.00 176.83 175.13 1uup n LEU 1014N -3.60 0.61 -4.73 5.97 4.32 -0.56 -4.96 117.00 114.06 1uup n LEU 1014Ca -0.02 0.05 -0.42 0.00 -0.02 0.00 0.00 56.01 55.60 1uup n LEU 1014Cb 0.15 -0.09 -0.03 0.00 -1.62 0.00 0.00 43.42 41.82 1uup n LEU 1014CO 0.27 0.00 1.09 -0.69 -1.22 0.00 0.00 177.39 176.84 1uup s VAL 1015N -3.24 3.03 -0.18 4.08 1.01 -0.97 -4.59 120.40 119.55 1uup s VAL 1015Ca 0.03 0.78 -0.13 0.00 0.00 0.00 0.00 61.98 62.65 1uup s VAL 1015Cb 0.14 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 1uup s VAL 1015CO 0.80 0.08 0.28 -0.54 0.00 0.00 0.00 175.10 175.73 1uup s LYS 1016N 0.58 4.22 -0.92 2.72 -0.14 -0.44 -4.33 119.74 121.44 1uup s LYS 1016Ca 0.63 0.05 -0.01 0.00 -1.36 0.00 0.00 55.97 55.28 1uup s LYS 1016Cb -0.39 -3.46 -0.01 0.00 -1.68 0.00 0.00 37.83 32.29 1uup s LYS 1016CO 0.34 0.17 0.77 0.09 -0.76 0.00 0.00 175.35 175.96 1uup n ASN 1017N 3.82 -2.53 0.28 2.83 3.02 -1.26 -4.78 115.26 116.64 1uup n ASN 1017Ca -0.12 -0.49 0.16 0.00 -0.03 0.00 0.00 54.58 54.09 1uup n ASN 1017Cb 0.52 -4.11 0.79 0.00 -0.61 0.00 0.00 39.78 36.36 1uup n ASN 1017CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1uup h LEU 1018N -1.39 0.00 -1.64 3.41 5.85 -1.87 -1.99 115.31 117.69 1uup h LEU 1018Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1uup h LEU 1018Cb 1.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1uup h LEU 1018CO 0.38 0.08 0.06 0.06 -0.34 0.00 0.00 178.44 178.68 1uup h GLN 1019N 0.00 0.00 0.00 1.25 -0.00 -1.78 0.13 115.11 114.70 1uup h GLN 1019Ca -0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.56 1uup h GLN 1019Cb 0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.82 1uup h GLN 1019CO 0.01 0.00 -0.40 -0.91 -0.00 0.00 0.00 178.83 177.53 1uup h ASN 1020N 0.00 0.00 0.28 0.06 2.35 -1.72 -1.91 115.58 114.65 1uup h ASN 1020Ca 0.00 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.42 1uup h ASN 1020Cb 0.12 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.53 1uup h ASN 1020CO 0.00 0.40 -1.46 0.40 -1.65 0.00 0.00 177.43 175.12 1uup h ILE 1021N 0.00 1.30 -0.08 2.81 1.08 -0.96 -3.27 117.51 118.39 1uup h ILE 1021Ca -0.00 -2.72 0.04 0.00 -0.39 0.00 0.00 64.86 61.79 1uup h ILE 1021Cb 0.88 3.02 -0.06 0.00 -3.07 0.00 0.00 36.82 37.60 1uup h ILE 1021CO 0.05 0.81 -0.35 0.22 -0.69 0.00 0.00 178.15 178.20 1uup h TYR 1022N 0.15 -0.98 -0.03 1.37 3.20 -1.20 -1.84 116.97 117.65 1uup h TYR 1022Ca -0.25 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.67 1uup h TYR 1022Cb 2.15 0.44 -0.00 0.00 1.54 0.00 0.00 36.73 40.86 1uup h TYR 1022CO 0.12 -0.43 0.02 0.74 -1.64 0.00 0.00 178.16 176.97 1uup h PHE 1023N -0.46 0.00 -0.37 -3.82 -1.00 -1.48 0.14 116.94 109.95 1uup h PHE 1023Ca 0.08 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.79 1uup h PHE 1023Cb 0.58 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.13 1uup h PHE 1023CO -0.40 0.00 -0.04 -0.07 -1.61 0.00 0.00 178.31 176.19 1uup h LEU 1024N 0.00 0.68 0.00 1.54 3.38 -1.39 -2.99 115.31 116.53 1uup h LEU 1024Ca 0.01 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1uup h LEU 1024Cb 0.05 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1uup h LEU 1024CO -0.00 0.85 -1.02 -1.22 0.09 0.00 0.00 178.44 177.14 1uup n TYR 1025N -4.43 0.18 0.02 1.13 4.02 -0.89 -4.37 117.16 112.82 1uup n TYR 1025Ca -0.01 0.05 -0.20 0.00 -0.01 0.00 0.00 57.90 57.73 1uup n TYR 1025Cb 0.31 -0.35 -0.14 0.00 -0.02 0.00 0.00 39.34 39.14 1uup n TYR 1025CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 1uup h GLU 1026N 0.00 0.25 -7.35 -0.72 4.57 -0.79 -3.37 114.58 107.16 1uup h GLU 1026Ca 0.00 -0.43 -0.44 0.00 -1.18 0.00 0.00 59.36 57.31 1uup h GLU 1026Cb 0.68 0.16 0.17 0.00 -0.16 0.00 0.00 28.75 29.60 1uup h GLU 1026CO 0.00 1.20 0.17 0.20 -1.18 0.00 0.00 179.01 179.40 1uup s GLY 1027N -4.55 1.56 0.51 1.92 0.00 -1.13 -4.99 107.32 100.65 1uup s GLY 1027Ca -0.16 -0.49 -0.21 0.00 0.00 0.00 0.00 44.72 43.86 1uup s GLY 1027CO 0.80 0.19 1.20 0.99 0.00 0.00 0.00 173.10 176.28 1uup s ASP 1028N -3.50 5.77 0.84 1.64 1.01 -1.26 -4.99 116.67 116.18 1uup s ASP 1028Ca 0.67 2.38 -0.13 0.00 0.71 0.00 0.00 52.55 56.18 1uup s ASP 1028Cb -0.17 -2.60 0.11 0.00 1.01 0.00 0.00 42.92 41.26 1uup s ASP 1028CO 0.58 -1.20 1.20 -2.16 0.21 0.00 0.00 175.17 173.80 1uup s PRO 1029N -2.94 1.67 -0.28 8.23 0.04 -1.26 -4.88 135.00 135.58 1uup s PRO 1029Ca 0.69 -0.04 -0.11 0.00 0.04 0.00 0.00 61.00 61.58 1uup s PRO 1029Cb -0.30 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 1uup s PRO 1029CO 0.35 -1.76 0.19 0.08 0.04 0.00 0.00 177.00 175.90 1uup s VAL 1030N -3.63 5.24 -0.02 -0.36 1.01 -0.42 -4.95 120.40 117.28 1uup s VAL 1030Ca 0.65 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.75 1uup s VAL 1030Cb -0.09 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1uup s VAL 1030CO 0.50 0.23 -0.08 0.42 0.00 0.00 0.00 175.10 176.17 1uup s THR 1031N 1.75 0.65 -0.10 3.92 -4.23 -1.26 -1.80 115.64 114.57 1uup s THR 1031Ca 0.07 -0.31 -0.09 0.00 -1.18 0.00 0.00 61.69 60.18 1uup s THR 1031Cb -0.16 -0.58 0.03 0.00 1.34 0.00 0.00 72.50 73.13 1uup s THR 1031CO 0.10 0.20 0.27 -1.00 -0.54 0.00 0.00 174.62 173.65 1uup s HIS 1032N 0.11 -0.30 0.00 3.99 3.76 -1.05 -4.94 115.29 116.86 1uup s HIS 1032Ca -0.01 0.72 0.00 0.00 -0.15 0.00 0.00 55.06 55.62 1uup s HIS 1032Cb -0.07 0.10 0.00 0.00 1.11 0.00 0.00 32.58 33.72 1uup s HIS 1032CO 0.00 -0.15 0.00 0.39 -0.85 0.00 0.00 174.74 174.13 1uup n GLU 1033N 3.04 0.00 -3.66 1.40 -0.58 -1.26 -0.10 120.64 119.48 1uup n GLU 1033Ca -0.14 0.26 -0.36 0.00 -0.42 0.00 0.00 57.16 56.50 1uup n GLU 1033Cb 0.58 -0.73 -0.08 0.00 -0.57 0.00 0.00 31.44 30.64 1uup n GLU 1033CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1uup s ASN 1034N -2.33 5.69 0.04 1.62 3.04 -1.25 -3.33 114.94 118.42 1uup s ASN 1034Ca 0.00 -3.35 0.03 0.00 0.04 0.00 0.00 52.86 49.58 1uup s ASN 1034Cb 0.00 -1.89 -0.02 0.00 -1.54 0.00 0.00 41.25 37.80 1uup s ASN 1034CO 0.00 -0.27 -0.09 0.68 -3.04 0.00 0.00 177.10 174.38 1uup s VAL 1035N -0.79 0.70 -0.09 -5.21 -7.23 -0.98 -4.86 120.40 101.94 1uup s VAL 1035Ca 0.23 -0.96 0.01 0.00 -1.81 0.00 0.00 61.98 59.44 1uup s VAL 1035Cb -0.12 -0.70 -0.02 0.00 0.56 0.00 0.00 36.38 36.09 1uup s VAL 1035CO -0.09 -0.21 -0.10 -0.75 -0.31 0.00 0.00 175.10 173.64 1uup s LYS 1036N -1.30 2.92 0.71 4.82 2.20 -1.26 -0.95 119.74 126.88 1uup s LYS 1036Ca -0.05 -0.62 -0.16 0.00 -0.36 0.00 0.00 55.97 54.77 1uup s LYS 1036Cb -0.08 -2.57 -0.03 0.00 -1.51 0.00 0.00 37.83 33.64 1uup s LYS 1036CO 0.01 0.50 0.71 -1.13 -0.36 0.00 0.00 175.35 175.08 1uup n SER 1037N 2.69 -0.48 -0.02 1.43 3.41 -1.25 -4.65 113.62 114.74 1uup n SER 1037Ca -0.18 0.64 -0.03 0.00 -0.26 0.00 0.00 58.87 59.04 1uup n SER 1037Cb 0.53 -1.29 -0.03 0.00 -0.26 0.00 0.00 64.21 63.16 1uup n SER 1037CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1uup n VAL 1038N -2.36 0.31 -3.96 -3.33 0.31 0.70 -4.96 118.33 105.03 1uup n VAL 1038Ca 0.11 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1uup n VAL 1038Cb 0.49 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 1uup n VAL 1038CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1uup n ASP 1039N -2.44 0.14 -3.40 4.52 -0.08 -1.10 -5.01 116.55 109.18 1uup n ASP 1039Ca -0.09 -0.96 0.02 0.00 -1.51 0.00 0.00 54.79 52.25 1uup n ASP 1039Cb 0.62 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 44.04 1uup n ASP 1039CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1uup s GLN 1040N -1.89 0.33 -0.01 -0.67 0.74 -1.26 -1.49 119.66 115.41 1uup s GLN 1040Ca 0.00 0.80 -0.02 0.00 0.05 0.00 0.00 55.36 56.19 1uup s GLN 1040Cb 0.00 0.48 -0.01 0.00 1.10 0.00 0.00 33.01 34.58 1uup s GLN 1040CO 0.00 -0.14 0.32 1.25 -0.55 0.00 0.00 175.29 176.17 1uup h LEU 1041N 7.62 -0.06 -9.90 3.68 5.85 -1.94 -3.47 115.31 117.08 1uup h LEU 1041Ca -0.16 0.00 -0.51 0.00 0.84 0.00 0.00 57.88 58.05 1uup h LEU 1041Cb 1.12 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 1uup h LEU 1041CO 0.08 0.02 -0.52 -0.76 -0.34 0.00 0.00 178.44 176.92 1uup s LEU 1042N -4.96 3.66 0.65 2.25 1.43 -1.26 -5.02 118.68 115.43 1uup s LEU 1042Ca -0.01 -0.38 0.40 0.00 -1.03 0.00 0.00 54.13 53.11 1uup s LEU 1042Cb 0.00 -2.21 2.24 0.00 0.03 0.00 0.00 46.19 46.24 1uup s LEU 1042CO 0.03 -0.13 2.33 0.28 0.23 0.00 0.00 176.35 179.09 1uup h SER 1043N 1.47 0.00 -0.45 2.29 0.02 -1.98 -1.95 113.55 112.96 1uup h SER 1043Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1uup h SER 1043Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1uup h SER 1043CO 0.60 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.29 1uup n HIS 1044N -3.30 0.59 -4.56 3.45 1.44 -1.26 -4.17 115.22 107.40 1uup n HIS 1044Ca -0.03 -0.29 -0.26 0.00 -2.01 0.00 0.00 57.72 55.13 1uup n HIS 1044Cb 0.09 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.09 1uup n HIS 1044CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 1uup s ASP 1045N -1.33 3.36 -0.05 4.39 1.47 -0.73 -1.24 116.67 122.53 1uup s ASP 1045Ca 0.39 -1.36 -0.03 0.00 1.18 0.00 0.00 52.55 52.73 1uup s ASP 1045Cb 0.22 -0.29 0.03 0.00 -0.34 0.00 0.00 42.92 42.53 1uup s ASP 1045CO 0.30 -0.49 0.12 -0.76 0.68 0.00 0.00 175.17 175.02 1uup s LEU 1046N -3.63 1.15 -0.12 2.11 1.43 -0.63 -4.66 118.68 114.32 1uup s LEU 1046Ca 0.35 0.24 -0.05 0.00 -1.03 0.00 0.00 54.13 53.64 1uup s LEU 1046Cb 0.09 0.32 -0.04 0.00 0.03 0.00 0.00 46.19 46.60 1uup s LEU 1046CO 0.17 -0.10 0.04 -0.63 0.23 0.00 0.00 176.35 176.07 1uup s ILE 1047N 0.66 4.66 0.07 -0.59 1.01 -0.56 -1.06 121.20 125.40 1uup s ILE 1047Ca -0.05 -0.10 0.08 0.00 0.00 0.00 0.00 60.65 60.57 1uup s ILE 1047Cb -0.07 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 1uup s ILE 1047CO -0.03 0.56 -0.17 -0.31 0.00 0.00 0.00 174.94 174.99 1uup s TYR 1048N -0.48 2.57 -1.09 3.97 1.51 0.21 -0.21 117.35 123.82 1uup s TYR 1048Ca 0.10 -0.25 -0.07 0.00 -1.01 0.00 0.00 57.07 55.84 1uup s TYR 1048Cb -0.12 -1.42 0.29 0.00 -0.11 0.00 0.00 41.96 40.60 1uup s TYR 1048CO 0.02 0.32 1.22 -1.71 -1.11 0.00 0.00 175.55 174.29 1uup n ASN 1049N 1.19 5.74 -4.29 2.29 5.15 -1.26 -1.43 115.26 122.64 1uup n ASN 1049Ca -0.16 -3.18 -0.15 0.00 -0.60 0.00 0.00 54.58 50.49 1uup n ASN 1049Cb 0.52 -1.31 -0.10 0.00 -0.53 0.00 0.00 39.78 38.36 1uup n ASN 1049CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1uup s VAL 1050N -1.83 0.61 0.25 3.44 -7.23 -1.25 -5.02 120.40 109.37 1uup s VAL 1050Ca 0.31 -1.99 -0.04 0.00 -1.81 0.00 0.00 61.98 58.44 1uup s VAL 1050Cb -0.04 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.42 1uup s VAL 1050CO -0.02 -0.17 0.32 -0.94 -0.31 0.00 0.00 175.10 173.98 1uup s SER 1051N -3.26 0.35 0.00 4.85 1.04 -1.26 -2.37 113.70 113.04 1uup s SER 1051Ca 0.33 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.46 1uup s SER 1051Cb 0.07 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1uup s SER 1051CO 0.10 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.89 1uup n GLY 1052N -0.39 1.94 3.76 7.32 0.00 0.14 -4.96 105.19 113.00 1uup n GLY 1052Ca 0.01 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.77 1uup n GLY 1052CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1uup s PRO 1053N -1.09 3.28 0.00 1.61 0.02 -1.26 -3.00 135.00 134.55 1uup s PRO 1053Ca 0.00 1.81 0.00 0.00 0.02 0.00 0.00 61.00 62.83 1uup s PRO 1053Cb 0.00 -2.10 0.00 0.00 0.02 0.00 0.00 34.50 32.42 1uup s PRO 1053CO 0.00 -0.96 0.00 0.09 -0.33 0.00 0.00 177.00 175.80 1uup n ASN 1054N -1.18 0.00 -3.92 2.53 5.03 -1.26 -4.93 115.26 111.53 1uup n ASN 1054Ca 0.11 0.00 -0.09 0.00 0.87 0.00 0.00 54.58 55.47 1uup n ASN 1054Cb 0.49 -0.12 -0.09 0.00 -1.02 0.00 0.00 39.78 39.04 1uup n ASN 1054CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 1uup s TYR 1055N -0.48 0.20 -0.00 3.10 -0.85 -1.16 -4.73 117.35 113.42 1uup s TYR 1055Ca 0.00 -0.51 0.00 0.00 -0.52 0.00 0.00 57.07 56.04 1uup s TYR 1055Cb 0.00 -0.14 0.00 0.00 0.38 0.00 0.00 41.96 42.20 1uup s TYR 1055CO 0.00 -0.38 0.63 -0.40 -1.52 0.00 0.00 175.55 173.88 1uup n ASP 1056N 0.69 0.50 -3.71 -0.18 5.75 -0.54 -0.68 116.55 118.38 1uup n ASP 1056Ca -0.19 -1.28 -0.11 0.00 -0.01 0.00 0.00 54.79 53.21 1uup n ASP 1056Cb 0.59 -0.01 -0.12 0.00 -1.03 0.00 0.00 41.12 40.55 1uup n ASP 1056CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1uup s LYS 1057N -0.26 0.31 -0.12 0.11 2.20 -1.00 -3.84 119.74 117.14 1uup s LYS 1057Ca 0.00 0.68 0.03 0.00 -0.36 0.00 0.00 55.97 56.32 1uup s LYS 1057Cb 0.00 -0.06 0.01 0.00 -1.51 0.00 0.00 37.83 36.27 1uup s LYS 1057CO 0.00 -0.17 -0.20 -1.17 -0.36 0.00 0.00 175.35 173.45 1uup s LEU 1058N 1.39 1.98 -0.18 5.43 2.96 -0.52 -1.09 118.68 128.65 1uup s LEU 1058Ca -0.09 -0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 53.26 1uup s LEU 1058Cb -0.09 -1.31 -0.02 0.00 0.50 0.00 0.00 46.19 45.27 1uup s LEU 1058CO -0.11 0.08 -0.06 -0.75 -1.32 0.00 0.00 176.35 174.20 1uup s LYS 1059N 0.72 3.47 -0.14 1.98 2.20 -0.51 0.63 119.74 128.09 1uup s LYS 1059Ca -0.11 -0.61 -0.01 0.00 -0.36 0.00 0.00 55.97 54.89 1uup s LYS 1059Cb -0.16 -2.91 -0.02 0.00 -1.51 0.00 0.00 37.83 33.23 1uup s LYS 1059CO 0.01 0.01 -0.11 -0.08 -0.36 0.00 0.00 175.35 174.83 1uup s THR 1060N 0.93 3.27 -0.32 3.43 -1.32 -0.22 -1.90 115.64 119.50 1uup s THR 1060Ca -0.01 -0.58 -0.15 0.00 -1.21 0.00 0.00 61.69 59.74 1uup s THR 1060Cb -0.15 -2.39 -0.02 0.00 -1.51 0.00 0.00 72.50 68.43 1uup s THR 1060CO 0.01 0.52 0.37 -1.61 -2.21 0.00 0.00 174.62 171.69 1uup s GLU 1061N 0.35 3.71 0.00 7.08 2.02 -0.87 -1.61 118.70 129.38 1uup s GLU 1061Ca -0.09 -0.27 0.00 0.00 0.02 0.00 0.00 54.97 54.63 1uup s GLU 1061Cb -0.15 -3.76 0.00 0.00 0.10 0.00 0.00 34.13 30.32 1uup s GLU 1061CO 0.05 -0.45 0.00 1.28 0.02 0.00 0.00 175.26 176.16 1uup n LEU 1062N 5.39 0.00 -0.05 1.80 4.77 -0.38 -0.67 117.00 127.86 1uup n LEU 1062Ca -0.09 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.77 1uup n LEU 1062Cb 0.50 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 1uup n LEU 1062CO 0.40 -0.36 0.71 0.50 -1.33 0.00 0.00 177.39 177.31 1uup h LYS 1063N 0.00 0.30 0.00 3.23 3.64 -1.60 -3.45 116.57 118.68 1uup h LYS 1063Ca 0.00 -0.11 0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1uup h LYS 1063Cb 0.00 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1uup h LYS 1063CO 0.00 0.56 0.34 0.27 -2.27 0.00 0.00 179.45 178.35 1uup n ASN 1064N -4.70 -1.63 -0.23 4.20 2.04 -1.26 -5.01 115.26 108.67 1uup n ASN 1064Ca -0.05 -2.02 0.02 0.00 -0.44 0.00 0.00 54.58 52.09 1uup n ASN 1064Cb 0.25 2.69 0.14 0.00 -2.53 0.00 0.00 39.78 40.34 1uup n ASN 1064CO 0.00 0.00 0.00 -0.61 -0.44 0.00 0.00 177.26 176.21 1uup h GLN 1065N 0.00 0.47 -1.00 -3.83 4.15 -1.88 -2.30 115.11 110.71 1uup h GLN 1065Ca -0.25 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.18 1uup h GLN 1065Cb 0.97 -0.11 -0.06 0.00 0.21 0.00 0.00 27.48 28.50 1uup h GLN 1065CO 0.32 0.31 0.66 1.49 -1.93 0.00 0.00 178.83 179.68 1uup h GLU 1066N 0.48 1.26 -0.12 1.69 4.81 -1.96 -2.44 114.58 118.30 1uup h GLU 1066Ca 0.35 -0.08 -0.14 0.00 -0.13 0.00 0.00 59.36 59.37 1uup h GLU 1066Cb 0.45 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1uup h GLU 1066CO -0.33 0.83 -0.53 1.98 -0.73 0.00 0.00 179.01 180.24 1uup h MET 1067N 1.30 0.33 -0.17 1.92 4.05 -1.80 -2.50 114.93 118.06 1uup h MET 1067Ca 0.39 -0.20 -0.07 0.00 -0.28 0.00 0.00 59.70 59.54 1uup h MET 1067Cb -0.05 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 30.77 1uup h MET 1067CO -0.11 0.78 -0.15 0.00 0.23 0.00 0.00 176.91 177.66 1uup h ALA 1068N 1.18 0.25 0.00 0.39 0.00 -1.14 -2.83 119.26 117.11 1uup h ALA 1068Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1uup h ALA 1068Cb 1.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1uup h ALA 1068CO 0.09 0.14 0.00 0.25 0.00 0.00 0.00 179.25 179.73 1uup n THR 1069N -4.52 0.74 -0.11 0.00 -2.24 -0.95 0.08 114.28 107.27 1uup n THR 1069Ca -0.06 0.07 -0.10 0.00 -2.27 0.00 0.00 64.05 61.70 1uup n THR 1069Cb 0.37 -0.95 0.04 0.00 -2.10 0.00 0.00 70.33 67.69 1uup n THR 1069CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1uup h LEU 1070N 0.00 0.89 0.00 3.22 5.85 -1.19 -3.26 115.31 120.81 1uup h LEU 1070Ca 0.00 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1uup h LEU 1070Cb 0.47 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1uup h LEU 1070CO 0.00 1.11 -1.10 0.49 -0.34 0.00 0.00 178.44 178.60 1uup n PHE 1071N -4.09 0.00 -0.36 1.25 3.01 -0.99 -4.69 117.46 111.58 1uup n PHE 1071Ca -0.01 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.44 1uup n PHE 1071Cb 0.48 -0.11 0.03 0.00 -0.01 0.00 0.00 39.48 39.87 1uup n PHE 1071CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1uup n LYS 1072N -1.60 -0.23 -1.24 -1.08 4.81 0.11 -0.42 118.16 118.50 1uup n LYS 1072Ca 0.02 1.45 -0.26 0.00 -0.87 0.00 0.00 58.31 58.65 1uup n LYS 1072Cb 0.33 -2.16 0.15 0.00 0.02 0.00 0.00 35.03 33.38 1uup n LYS 1072CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1uup n ASP 1073N -5.38 4.73 -4.54 3.14 2.03 -1.26 -3.81 116.55 111.46 1uup n ASP 1073Ca 0.09 -3.67 -0.27 0.00 0.52 0.00 0.00 54.79 51.46 1uup n ASP 1073Cb 0.37 -0.86 -0.10 0.00 -0.72 0.00 0.00 41.12 39.82 1uup n ASP 1073CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1uup s LYS 1074N -3.44 1.94 -0.29 -0.67 -0.14 0.44 -5.06 119.74 112.51 1uup s LYS 1074Ca 0.58 -1.31 -0.18 0.00 -1.36 0.00 0.00 55.97 53.70 1uup s LYS 1074Cb 0.48 -2.10 -0.02 0.00 -1.68 0.00 0.00 37.83 34.52 1uup s LYS 1074CO 0.07 0.43 0.54 -0.80 -0.76 0.00 0.00 175.35 174.83 1uup s ASN 1075N -2.75 6.41 0.36 2.83 0.01 -1.26 -4.05 114.94 116.50 1uup s ASN 1075Ca 0.24 0.36 0.04 0.00 -0.71 0.00 0.00 52.86 52.79 1uup s ASN 1075Cb -0.09 -2.29 -0.05 0.00 0.41 0.00 0.00 41.25 39.23 1uup s ASN 1075CO 0.14 -0.37 0.07 0.68 -1.51 0.00 0.00 177.10 176.11 1uup s VAL 1076N 2.39 1.06 0.11 1.60 -7.23 -0.13 -1.28 120.40 116.93 1uup s VAL 1076Ca 0.21 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.44 1uup s VAL 1076Cb -0.15 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 1uup s VAL 1076CO 0.11 0.00 0.01 -1.81 -0.31 0.00 0.00 175.10 173.09 1uup s ASP 1077N -3.55 5.01 0.04 4.85 1.01 0.11 -2.31 116.67 121.83 1uup s ASP 1077Ca 0.32 -0.21 0.07 0.00 0.71 0.00 0.00 52.55 53.44 1uup s ASP 1077Cb 0.07 -1.18 -0.02 0.00 1.01 0.00 0.00 42.92 42.79 1uup s ASP 1077CO 0.15 0.15 -0.20 -0.63 0.21 0.00 0.00 175.17 174.85 1uup s ILE 1078N -1.40 1.65 -0.29 0.77 -1.09 0.86 -2.74 121.20 118.96 1uup s ILE 1078Ca 0.26 -1.17 0.04 0.00 -2.23 0.00 0.00 60.65 57.55 1uup s ILE 1078Cb -0.11 -1.43 0.19 0.00 -1.58 0.00 0.00 42.46 39.53 1uup s ILE 1078CO 0.19 0.21 0.55 -0.47 -1.23 0.00 0.00 174.94 174.19 1uup s TYR 1079N -0.78 -1.65 0.16 3.97 5.04 -0.77 -2.52 117.35 120.78 1uup s TYR 1079Ca 0.07 1.05 -0.08 0.00 -2.44 0.00 0.00 57.07 55.67 1uup s TYR 1079Cb -0.09 0.27 -0.01 0.00 0.35 0.00 0.00 41.96 42.48 1uup s TYR 1079CO 0.02 -1.03 0.26 0.20 -1.34 0.00 0.00 175.55 173.65 1uup s GLY 1080N 2.78 0.50 -0.43 8.97 0.00 -0.75 -4.42 107.32 113.97 1uup s GLY 1080Ca 0.12 -0.92 -0.16 0.00 0.00 0.00 0.00 44.72 43.76 1uup s GLY 1080CO -0.26 -0.88 0.38 0.14 0.00 0.00 0.00 173.10 172.48 1uup s VAL 1081N -3.97 5.18 0.27 1.40 1.01 -1.26 -1.30 120.40 121.73 1uup s VAL 1081Ca 0.17 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.35 1uup s VAL 1081Cb 0.04 -4.03 -0.08 0.00 0.00 0.00 0.00 36.38 32.31 1uup s VAL 1081CO -0.01 -0.43 0.69 -1.83 0.00 0.00 0.00 175.10 173.52 1uup s GLU 1082N 1.87 4.04 0.12 2.72 1.03 -1.26 -4.57 118.70 122.64 1uup s GLU 1082Ca 0.08 0.65 0.02 0.00 0.03 0.00 0.00 54.97 55.75 1uup s GLU 1082Cb -0.20 -2.61 -0.04 0.00 -0.80 0.00 0.00 34.13 30.48 1uup s GLU 1082CO 0.10 0.26 -0.06 1.52 -1.33 0.00 0.00 175.26 175.76 1uup s TYR 1083N -1.81 1.03 0.00 4.83 -0.85 0.88 -4.92 117.35 116.51 1uup s TYR 1083Ca 0.49 -0.91 0.00 0.00 -0.52 0.00 0.00 57.07 56.14 1uup s TYR 1083Cb -0.12 -0.57 0.00 0.00 0.38 0.00 0.00 41.96 41.64 1uup s TYR 1083CO 0.19 -0.12 0.00 0.66 -1.52 0.00 0.00 175.55 174.76 1uup n TYR 1084N -0.11 0.00 -1.65 -3.49 4.02 -1.26 -1.51 117.16 113.15 1uup n TYR 1084Ca -0.11 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.36 1uup n TYR 1084Cb 0.61 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.90 1uup n TYR 1084CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 1uup n HIS 1085N -1.98 2.45 -3.12 -0.72 -0.00 -1.26 -1.73 115.22 108.86 1uup n HIS 1085Ca 0.00 -0.36 -0.14 0.00 0.46 0.00 0.00 57.72 57.69 1uup n HIS 1085Cb 0.43 -2.80 0.07 0.00 -0.12 0.00 0.00 29.99 27.57 1uup n HIS 1085CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1uup n LEU 1086N 8.07 -3.90 0.00 0.27 4.77 -1.26 -4.70 117.00 120.25 1uup n LEU 1086Ca 0.21 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 1uup n LEU 1086Cb 0.41 -2.66 0.00 0.00 -2.33 0.00 0.00 43.42 38.85 1uup n LEU 1086CO 0.68 0.27 0.00 0.00 -1.33 0.00 0.00 177.39 177.01 1uup s TYR 1088N -0.05 3.01 -0.74 0.00 6.14 -1.26 -5.03 117.35 119.43 1uup s TYR 1088Ca 0.00 -2.59 -0.13 0.00 0.64 0.00 0.00 57.07 54.99 1uup s TYR 1088Cb 0.00 -2.50 0.19 0.00 0.42 0.00 0.00 41.96 40.07 1uup s TYR 1088CO 0.00 -0.91 0.66 -0.51 0.64 0.00 0.00 175.55 175.43 1uup s LEU 1089N 1.04 6.45 0.00 6.97 1.43 -1.26 -4.76 118.68 128.55 1uup s LEU 1089Ca 0.11 -2.50 0.02 0.00 -1.03 0.00 0.00 54.13 50.73 1uup s LEU 1089Cb -0.19 -2.16 0.03 0.00 0.03 0.00 0.00 46.19 43.90 1uup s LEU 1089CO -0.13 -0.61 0.77 0.00 0.23 0.00 0.00 176.35 176.61 1uup n GLU 1091N 0.03 -1.58 0.00 0.00 0.00 -1.26 -4.41 120.64 113.42 1uup n GLU 1091Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1uup n GLU 1091Cb 0.63 -2.40 0.00 0.00 0.00 0.00 0.00 31.44 29.67 1uup n GLU 1091CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1uup n ASN 1092N -0.83 0.00 -3.15 -1.84 2.04 -1.26 -4.97 115.26 105.25 1uup n ASN 1092Ca 0.02 -1.00 0.04 0.00 -0.44 0.00 0.00 54.58 53.21 1uup n ASN 1092Cb 0.25 0.00 -0.01 0.00 -2.53 0.00 0.00 39.78 37.49 1uup n ASN 1092CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1uup s ALA 1093N 0.00 -2.35 -0.85 -2.53 0.00 -1.26 -5.05 121.76 109.72 1uup s ALA 1093Ca 0.00 1.76 0.08 0.00 0.00 0.00 0.00 51.96 53.81 1uup s ALA 1093Cb 0.00 -2.22 0.18 0.00 0.00 0.00 0.00 23.12 21.08 1uup s ALA 1093CO 0.00 -1.38 1.05 0.39 0.00 0.00 0.00 175.76 175.82 1uup n GLU 1094N 5.43 1.98 -2.71 0.00 1.02 -1.26 -4.60 120.64 120.50 1uup n GLU 1094Ca -0.01 -1.62 -0.13 0.00 -0.02 0.00 0.00 57.16 55.38 1uup n GLU 1094Cb 0.51 -1.20 0.02 0.00 -0.02 0.00 0.00 31.44 30.76 1uup n GLU 1094CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1uup n ARG 1095N 0.36 1.49 -3.80 3.49 1.74 -1.26 -5.10 116.66 113.58 1uup n ARG 1095Ca 0.08 -3.48 -0.26 0.00 -0.77 0.00 0.00 57.85 53.42 1uup n ARG 1095Cb 0.33 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.28 1uup n ARG 1095CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1uup s SER 1096N -3.10 6.35 0.20 0.55 0.01 -1.26 -1.46 113.70 114.99 1uup s SER 1096Ca 0.32 0.28 0.10 0.00 1.31 0.00 0.00 55.95 57.96 1uup s SER 1096Cb 0.43 -1.95 -0.04 0.00 0.21 0.00 0.00 66.02 64.66 1uup s SER 1096CO -0.01 -0.04 -0.20 0.00 0.41 0.00 0.00 173.24 173.40 1uup s ALA 1097N -1.88 2.29 -0.03 1.44 0.00 -0.25 -4.86 121.76 118.47 1uup s ALA 1097Ca 0.37 -1.62 0.02 0.00 0.00 0.00 0.00 51.96 50.73 1uup s ALA 1097Cb -0.11 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.79 1uup s ALA 1097CO 0.29 0.28 -0.08 0.00 0.00 0.00 0.00 175.76 176.26 1uup s ILE 1099N 0.25 0.26 -0.01 0.00 -4.36 -0.80 -0.08 121.20 116.45 1uup s ILE 1099Ca -0.04 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.42 1uup s ILE 1099Cb -0.09 -2.55 -0.02 0.00 1.25 0.00 0.00 42.46 41.05 1uup s ILE 1099CO 0.00 0.00 -0.20 -0.31 0.24 0.00 0.00 174.94 174.67 1uup s TYR 1100N -3.86 2.50 0.00 1.37 1.51 -1.26 -2.05 117.35 115.57 1uup s TYR 1100Ca 0.38 -0.30 0.00 0.00 -1.01 0.00 0.00 57.07 56.13 1uup s TYR 1100Cb 0.06 -1.53 0.00 0.00 -0.11 0.00 0.00 41.96 40.39 1uup s TYR 1100CO 0.15 0.11 0.00 0.41 -1.11 0.00 0.00 175.55 175.10 1uup n GLY 1101N 2.18 2.65 2.25 0.71 0.00 0.16 -4.58 105.19 108.55 1uup n GLY 1101Ca -0.17 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 1uup n GLY 1101CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uup n GLY 1102N 0.00 0.38 3.43 -0.02 0.00 -1.26 -4.82 105.19 102.89 1uup n GLY 1102Ca 0.00 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 1uup n GLY 1102CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uup s VAL 1103N -2.51 2.86 -0.03 1.61 1.01 -1.26 -1.85 120.40 120.23 1uup s VAL 1103Ca 0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 61.98 61.06 1uup s VAL 1103Cb 0.00 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 34.29 1uup s VAL 1103CO 0.00 0.58 0.30 0.42 0.00 0.00 0.00 175.10 176.40 1uup s THR 1104N -0.54 0.05 0.25 3.92 -4.23 -1.11 -4.91 115.64 109.08 1uup s THR 1104Ca 0.07 -0.41 -0.30 0.00 -1.18 0.00 0.00 61.69 59.88 1uup s THR 1104Cb -0.11 -0.57 -0.10 0.00 1.34 0.00 0.00 72.50 73.06 1uup s THR 1104CO 0.01 -0.22 1.42 0.20 -0.54 0.00 0.00 174.62 175.49 1uup s ASN 1105N -1.06 6.67 -0.02 3.99 0.01 -1.26 0.05 114.94 123.31 1uup s ASN 1105Ca -0.11 2.66 -0.23 0.00 -0.71 0.00 0.00 52.86 54.46 1uup s ASN 1105Cb -0.05 -2.62 -0.17 0.00 0.41 0.00 0.00 41.25 38.82 1uup s ASN 1105CO 0.03 -0.68 1.08 -0.74 -1.51 0.00 0.00 177.10 175.28 1uup h HIS 1106N 4.91 -0.24 -1.66 2.20 -0.00 -1.45 -3.41 115.15 115.50 1uup h HIS 1106Ca -0.46 -0.01 -0.70 0.00 -0.00 0.00 0.00 60.37 59.20 1uup h HIS 1106Cb 1.22 0.08 0.03 0.00 -0.00 0.00 0.00 27.41 28.74 1uup h HIS 1106CO 0.60 0.16 0.72 0.39 -0.00 0.00 0.00 177.93 179.79 1uup n GLU 1107N -5.00 1.25 -1.67 5.26 4.71 -1.26 -2.37 120.64 121.57 1uup n GLU 1107Ca -0.09 0.46 -0.17 0.00 -0.01 0.00 0.00 57.16 57.35 1uup n GLU 1107Cb 0.26 -2.13 -0.06 0.00 -1.01 0.00 0.00 31.44 28.49 1uup n GLU 1107CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1uup n GLY 1108N 3.45 1.27 1.07 0.62 0.00 -1.26 -4.81 105.19 105.53 1uup n GLY 1108Ca 0.22 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.33 1uup n GLY 1108CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1uup n ASN 1109N -1.15 3.58 -4.84 1.61 4.05 -1.00 -4.92 115.26 112.60 1uup n ASN 1109Ca -0.18 -2.05 -0.37 0.00 0.45 0.00 0.00 54.58 52.44 1uup n ASN 1109Cb 0.59 -0.39 -0.07 0.00 1.23 0.00 0.00 39.78 41.14 1uup n ASN 1109CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1uup s HIS 1110N -1.08 3.51 -0.10 1.20 3.76 -1.26 -0.61 115.29 120.71 1uup s HIS 1110Ca 0.38 0.46 -0.08 0.00 -0.15 0.00 0.00 55.06 55.67 1uup s HIS 1110Cb 0.21 -1.91 -0.04 0.00 1.11 0.00 0.00 32.58 31.94 1uup s HIS 1110CO 0.25 0.68 0.19 -0.51 -0.85 0.00 0.00 174.74 174.50 1uup s LEU 1111N -0.99 4.41 0.31 0.89 1.43 0.47 -4.86 118.68 120.33 1uup s LEU 1111Ca 0.15 0.56 0.10 0.00 -1.03 0.00 0.00 54.13 53.91 1uup s LEU 1111Cb -0.12 -2.17 0.49 0.00 0.03 0.00 0.00 46.19 44.43 1uup s LEU 1111CO 0.04 0.39 1.70 1.05 0.23 0.00 0.00 176.35 179.76 1uup h GLU 1112N 4.92 0.05 -5.50 1.70 4.11 -1.99 -3.42 114.58 114.45 1uup h GLU 1112Ca -0.54 -0.03 -0.64 0.00 0.07 0.00 0.00 59.36 58.22 1uup h GLU 1112Cb 1.23 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.16 1uup h GLU 1112CO 0.59 0.54 -0.86 0.42 0.07 0.00 0.00 179.01 179.76 1uup s ILE 1113N -3.90 1.81 0.52 -1.06 1.01 -1.26 -5.12 121.20 113.20 1uup s ILE 1113Ca -0.02 -0.91 -0.23 0.00 0.00 0.00 0.00 60.65 59.49 1uup s ILE 1113Cb 0.13 -1.55 -0.06 0.00 0.01 0.00 0.00 42.46 40.99 1uup s ILE 1113CO 0.75 0.51 1.34 -2.84 0.00 0.00 0.00 174.94 174.70 1uup s PRO 1114N 0.11 3.33 -0.28 2.79 0.02 -1.26 -4.95 135.00 134.76 1uup s PRO 1114Ca -0.09 2.20 -0.16 0.00 0.02 0.00 0.00 61.00 62.97 1uup s PRO 1114Cb -0.15 -2.35 -0.03 0.00 0.02 0.00 0.00 34.50 31.99 1uup s PRO 1114CO 0.05 -1.03 0.41 0.21 -0.33 0.00 0.00 177.00 176.31 1uup s LYS 1115N -2.79 3.97 0.18 5.54 2.36 -0.29 -4.91 119.74 123.79 1uup s LYS 1115Ca 0.68 0.05 -0.22 0.00 -2.55 0.00 0.00 55.97 53.93 1uup s LYS 1115Cb -0.39 -3.68 -0.08 0.00 -1.05 0.00 0.00 37.83 32.63 1uup s LYS 1115CO 0.47 -0.33 0.73 0.15 1.55 0.00 0.00 175.35 177.92 1uup s LYS 1116N 2.14 4.40 -0.05 4.03 1.02 -1.26 -2.57 119.74 127.44 1uup s LYS 1116Ca 0.16 0.99 0.02 0.00 0.02 0.00 0.00 55.97 57.17 1uup s LYS 1116Cb -0.16 -3.11 0.01 0.00 -0.52 0.00 0.00 37.83 34.06 1uup s LYS 1116CO 0.10 0.51 -0.10 0.42 -0.92 0.00 0.00 175.35 175.36 1uup s ILE 1117N -1.29 0.97 -0.32 2.17 1.01 0.89 -4.94 121.20 119.69 1uup s ILE 1117Ca 0.38 -0.40 -0.24 0.00 0.00 0.00 0.00 60.65 60.39 1uup s ILE 1117Cb -0.20 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.38 1uup s ILE 1117CO 0.23 0.31 0.81 -0.69 0.00 0.00 0.00 174.94 175.61 1uup s VAL 1118N 0.62 4.76 -0.32 2.92 1.01 -1.26 -0.97 120.40 127.15 1uup s VAL 1118Ca -0.12 1.16 -0.14 0.00 0.00 0.00 0.00 61.98 62.88 1uup s VAL 1118Cb -0.14 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 1uup s VAL 1118CO 0.02 -0.31 0.31 -0.69 0.00 0.00 0.00 175.10 174.44 1uup s VAL 1119N 3.05 5.22 -0.16 2.92 1.01 -0.92 -4.21 120.40 127.30 1uup s VAL 1119Ca 0.33 0.11 -0.11 0.00 0.00 0.00 0.00 61.98 62.31 1uup s VAL 1119Cb -0.14 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 1uup s VAL 1119CO 0.14 0.02 0.21 -0.54 0.00 0.00 0.00 175.10 174.93 1uup s LYS 1120N 1.93 4.10 -0.08 2.72 1.02 -1.12 -2.55 119.74 125.76 1uup s LYS 1120Ca 0.10 -0.04 0.04 0.00 0.02 0.00 0.00 55.97 56.09 1uup s LYS 1120Cb -0.16 -3.38 -0.01 0.00 -0.52 0.00 0.00 37.83 33.75 1uup s LYS 1120CO 0.11 0.36 -0.20 0.08 -0.92 0.00 0.00 175.35 174.79 1uup s VAL 1121N 0.13 2.49 -0.06 3.17 1.01 0.35 -1.41 120.40 126.08 1uup s VAL 1121Ca 0.13 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.25 1uup s VAL 1121Cb -0.12 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 1uup s VAL 1121CO 0.02 0.56 -0.14 -0.44 0.00 0.00 0.00 175.10 175.10 1uup s SER 1122N -0.09 4.02 -0.20 3.32 0.01 0.29 -2.21 113.70 118.83 1uup s SER 1122Ca -0.04 -0.22 -0.01 0.00 1.31 0.00 0.00 55.95 57.00 1uup s SER 1122Cb -0.14 -0.95 0.05 0.00 0.21 0.00 0.00 66.02 65.19 1uup s SER 1122CO 0.04 0.32 -0.03 -0.63 0.41 0.00 0.00 173.24 173.35 1uup s ILE 1123N -0.58 1.12 -1.22 1.44 1.01 -0.29 -0.36 121.20 122.32 1uup s ILE 1123Ca 0.08 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 59.88 1uup s ILE 1123Cb -0.11 -1.42 0.00 0.00 0.01 0.00 0.00 42.46 40.94 1uup s ILE 1123CO 0.01 -0.05 1.01 0.47 0.00 0.00 0.00 174.94 176.37 1uup n ASP 1124N 4.84 -2.42 0.00 3.58 8.00 -0.08 -2.62 116.55 127.85 1uup n ASP 1124Ca -0.11 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 54.77 1uup n ASP 1124Cb 0.46 -5.07 0.00 0.00 -0.02 0.00 0.00 41.12 36.49 1uup n ASP 1124CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uup n GLY 1125N -1.23 2.78 3.62 0.44 0.00 -1.26 -4.99 105.19 104.54 1uup n GLY 1125Ca -0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 1uup n GLY 1125CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uup s ILE 1126N -0.78 5.11 -1.10 -0.61 -1.09 -1.08 -4.98 121.20 116.67 1uup s ILE 1126Ca 0.00 0.79 -0.22 0.00 -2.23 0.00 0.00 60.65 58.99 1uup s ILE 1126Cb 0.00 -3.79 0.04 0.00 -1.58 0.00 0.00 42.46 37.13 1uup s ILE 1126CO 0.00 0.12 1.61 -1.58 -1.23 0.00 0.00 174.94 173.86 1uup s GLN 1127N 2.12 3.56 -0.26 2.79 0.74 -1.26 -1.14 119.66 126.20 1uup s GLN 1127Ca 0.20 -1.32 0.09 0.00 0.05 0.00 0.00 55.36 54.38 1uup s GLN 1127Cb -0.16 -5.38 0.46 0.00 1.10 0.00 0.00 33.01 29.03 1uup s GLN 1127CO 0.09 -2.43 1.32 -1.13 -0.55 0.00 0.00 175.29 172.59 1uup n SER 1128N 9.50 2.60 -3.65 6.67 3.41 -0.94 -4.94 113.62 126.27 1uup n SER 1128Ca 0.39 -3.85 -0.03 0.00 -0.26 0.00 0.00 58.87 55.13 1uup n SER 1128Cb 0.49 -0.55 -0.05 0.00 -0.26 0.00 0.00 64.21 63.84 1uup n SER 1128CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1uup s LEU 1129N -3.32 -1.08 -0.00 1.04 2.96 -1.01 -5.01 118.68 112.26 1uup s LEU 1129Ca 0.43 1.54 0.03 0.00 -0.22 0.00 0.00 54.13 55.92 1uup s LEU 1129Cb 0.39 2.30 -0.01 0.00 0.50 0.00 0.00 46.19 49.37 1uup s LEU 1129CO -0.03 -0.23 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.12 1uup s SER 1130N 2.56 1.25 -0.20 3.68 0.15 -1.26 0.13 113.70 120.01 1uup s SER 1130Ca -0.07 -0.21 -0.27 0.00 0.70 0.00 0.00 55.95 56.10 1uup s SER 1130Cb -0.10 -0.13 0.08 0.00 -1.71 0.00 0.00 66.02 64.15 1uup s SER 1130CO -0.19 0.12 0.74 0.72 1.20 0.00 0.00 173.24 175.83 1uup s PHE 1131N -0.30 -0.72 0.46 3.44 -0.12 -1.06 -5.02 117.98 114.67 1uup s PHE 1131Ca 0.04 1.60 -0.13 0.00 -0.05 0.00 0.00 56.93 58.39 1uup s PHE 1131Cb -0.04 0.32 -0.07 0.00 -0.63 0.00 0.00 43.02 42.60 1uup s PHE 1131CO -0.00 -0.44 0.87 -0.51 -0.05 0.00 0.00 175.22 175.09 1uup s ASP 1132N -0.14 6.54 0.11 1.98 -0.00 -1.26 -2.16 116.67 121.74 1uup s ASP 1132Ca -0.03 1.31 0.03 0.00 -0.00 0.00 0.00 52.55 53.86 1uup s ASP 1132Cb -0.03 -2.40 -0.04 0.00 -0.00 0.00 0.00 42.92 40.45 1uup s ASP 1132CO 0.03 -0.50 -0.09 -0.51 -0.00 0.00 0.00 175.17 174.10 1uup s ILE 1133N -2.52 0.89 0.06 0.77 1.10 -0.14 -4.94 121.20 116.42 1uup s ILE 1133Ca 0.54 -1.83 -0.10 0.00 -0.51 0.00 0.00 60.65 58.75 1uup s ILE 1133Cb -0.10 -1.56 0.01 0.00 0.15 0.00 0.00 42.46 40.95 1uup s ILE 1133CO 0.33 -0.71 0.22 -1.83 -2.11 0.00 0.00 174.94 170.84 1uup s GLU 1134N -3.35 0.79 0.06 3.50 -1.05 -1.26 -0.07 118.70 117.32 1uup s GLU 1134Ca 0.10 -0.73 -0.10 0.00 -0.15 0.00 0.00 54.97 54.09 1uup s GLU 1134Cb 0.01 0.33 0.00 0.00 -0.44 0.00 0.00 34.13 34.03 1uup s GLU 1134CO -0.02 -0.25 0.21 -0.08 0.95 0.00 0.00 175.26 176.08 1uup s THR 1135N -3.10 0.12 -1.13 1.83 -1.32 -1.06 -4.96 115.64 106.01 1uup s THR 1135Ca -0.01 -0.99 0.18 0.00 -1.21 0.00 0.00 61.69 59.67 1uup s THR 1135Cb 0.01 -1.11 -0.14 0.00 -1.51 0.00 0.00 72.50 69.75 1uup s THR 1135CO -0.07 -0.55 0.83 0.59 -2.21 0.00 0.00 174.62 173.21 1uup n ASN 1136N 0.31 1.16 -4.73 8.08 3.02 -1.26 -1.14 115.26 120.69 1uup n ASN 1136Ca -0.17 -1.08 -0.39 0.00 -0.03 0.00 0.00 54.58 52.91 1uup n ASN 1136Cb 0.61 0.83 -0.05 0.00 -0.61 0.00 0.00 39.78 40.56 1uup n ASN 1136CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1uup s LYS 1137N -2.53 4.38 0.05 3.52 1.02 -1.26 -0.40 119.74 124.52 1uup s LYS 1137Ca 0.10 0.75 -0.25 0.00 0.02 0.00 0.00 55.97 56.58 1uup s LYS 1137Cb 0.14 -3.41 -0.17 0.00 -0.52 0.00 0.00 37.83 33.88 1uup s LYS 1137CO 0.66 0.20 1.54 0.87 -0.92 0.00 0.00 175.35 177.69 1uup h LYS 1138N 6.33 -0.17 -4.69 1.68 1.57 -1.19 -3.38 116.57 116.71 1uup h LYS 1138Ca -0.43 0.01 -0.69 0.00 -1.87 0.00 0.00 60.65 57.67 1uup h LYS 1138Cb 1.19 0.04 -0.26 0.00 0.08 0.00 0.00 32.23 33.28 1uup h LYS 1138CO 0.73 0.03 -0.58 -1.64 -0.57 0.00 0.00 179.45 177.42 1uup s MET 1139N -5.50 2.87 -0.04 3.15 -1.94 -1.26 -0.89 119.30 115.69 1uup s MET 1139Ca -0.14 -1.03 0.06 0.00 -1.71 0.00 0.00 55.69 52.87 1uup s MET 1139Cb 0.04 -3.52 -0.02 0.00 2.01 0.00 0.00 34.83 33.34 1uup s MET 1139CO 0.64 -0.59 -0.21 0.54 -0.01 0.00 0.00 175.02 175.39 1uup s VAL 1140N 1.49 2.50 0.56 -6.03 0.11 0.02 -4.88 120.40 114.17 1uup s VAL 1140Ca 0.01 -0.93 -0.20 0.00 -2.93 0.00 0.00 61.98 57.93 1uup s VAL 1140Cb -0.19 -1.93 -0.05 0.00 -1.53 0.00 0.00 36.38 32.69 1uup s VAL 1140CO 0.04 0.58 1.21 0.42 -3.33 0.00 0.00 175.10 174.02 1uup s THR 1141N -0.58 2.72 0.42 5.04 -4.23 -1.26 0.55 115.64 118.31 1uup s THR 1141Ca 0.08 0.48 0.08 0.00 -1.18 0.00 0.00 61.69 61.15 1uup s THR 1141Cb -0.11 -3.21 0.26 0.00 1.34 0.00 0.00 72.50 70.78 1uup s THR 1141CO 0.00 -0.07 2.06 0.00 -0.54 0.00 0.00 174.62 176.07 1uup h ALA 1142N 1.21 1.72 -0.72 3.99 0.00 -1.01 -2.64 119.26 121.80 1uup h ALA 1142Ca -0.50 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.45 1uup h ALA 1142Cb 1.28 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 1uup h ALA 1142CO 0.56 0.25 0.39 0.37 0.00 0.00 0.00 179.25 180.82 1uup h GLN 1143N 0.49 0.65 -0.02 0.00 4.15 -1.90 0.10 115.11 118.58 1uup h GLN 1143Ca 0.13 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 1uup h GLN 1143Cb -0.04 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.50 1uup h GLN 1143CO -0.03 0.43 0.01 1.49 -1.93 0.00 0.00 178.83 178.81 1uup h GLU 1144N 0.67 0.03 -0.66 1.69 4.81 -1.69 -0.02 114.58 119.42 1uup h GLU 1144Ca 0.34 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.50 1uup h GLU 1144Cb 0.30 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1uup h GLU 1144CO -0.23 0.06 0.15 -0.07 -0.73 0.00 0.00 179.01 178.18 1uup h LEU 1145N -0.00 1.01 -0.29 1.64 3.38 -1.52 -1.90 115.31 117.62 1uup h LEU 1145Ca 0.01 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1uup h LEU 1145Cb 0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1uup h LEU 1145CO -0.00 0.99 0.18 -0.78 0.09 0.00 0.00 178.44 178.92 1uup h ASP 1146N 0.98 0.35 -0.27 -0.43 3.58 -0.55 -0.88 116.42 119.20 1uup h ASP 1146Ca 0.20 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.62 1uup h ASP 1146Cb 0.38 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 1uup h ASP 1146CO 0.01 0.28 0.17 0.22 -2.88 0.00 0.00 179.24 177.03 1uup h TYR 1147N 0.38 0.36 -0.42 0.28 3.20 -0.84 -1.58 116.97 118.36 1uup h TYR 1147Ca 0.11 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 1uup h TYR 1147Cb -0.01 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 1uup h TYR 1147CO -0.05 0.26 0.24 0.87 -1.64 0.00 0.00 178.16 177.85 1uup h LYS 1148N 0.35 0.56 -0.29 1.82 1.57 -1.06 0.09 116.57 119.60 1uup h LYS 1148Ca 0.10 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.66 1uup h LYS 1148Cb 0.01 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 1uup h LYS 1148CO -0.02 0.41 -0.49 0.28 -0.57 0.00 0.00 179.45 179.06 1uup h VAL 1149N 0.58 1.28 -0.21 0.50 2.07 -0.72 -2.24 116.25 117.51 1uup h VAL 1149Ca 0.15 -1.67 -0.18 0.00 0.82 0.00 0.00 66.70 65.81 1uup h VAL 1149Cb -0.00 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1uup h VAL 1149CO -0.03 0.55 -0.59 0.03 0.02 0.00 0.00 177.57 177.55 1uup h ARG 1150N 0.63 0.78 -0.43 1.57 3.08 -0.91 -1.04 114.38 118.06 1uup h ARG 1150Ca 0.02 -0.55 0.01 0.00 0.07 0.00 0.00 59.98 59.53 1uup h ARG 1150Cb 1.10 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 1uup h ARG 1150CO 0.11 1.17 0.28 -0.22 -1.07 0.00 0.00 179.97 180.24 1uup h LYS 1151N 0.51 0.56 -0.20 0.04 1.63 -1.03 0.89 116.57 118.97 1uup h LYS 1151Ca -0.01 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 1uup h LYS 1151Cb 1.21 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.70 1uup h LYS 1151CO 0.13 0.37 0.10 -0.92 -3.45 0.00 0.00 179.45 175.68 1uup h TYR 1152N 0.57 0.28 0.00 1.91 3.20 -1.35 -0.92 116.97 120.66 1uup h TYR 1152Ca 0.16 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 1uup h TYR 1152Cb -0.05 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.13 1uup h TYR 1152CO -0.05 0.27 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.59 1uup h LEU 1153N 0.21 0.00 0.04 2.82 3.38 -0.77 -0.76 115.31 120.22 1uup h LEU 1153Ca 0.07 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.85 1uup h LEU 1153Cb 0.09 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.85 1uup h LEU 1153CO -0.01 0.08 -0.75 0.74 0.09 0.00 0.00 178.44 178.59 1uup h THR 1154N 0.00 1.41 0.00 0.22 2.02 0.13 -0.76 112.91 115.93 1uup h THR 1154Ca -0.00 -2.21 0.00 0.00 0.77 0.00 0.00 66.41 64.97 1uup h THR 1154Cb 0.58 2.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.68 1uup h THR 1154CO 0.01 0.65 -0.30 0.47 0.37 0.00 0.00 175.52 176.72 1uup n ASP 1155N -4.12 0.76 -0.03 4.18 10.43 -0.39 -3.18 116.55 124.21 1uup n ASP 1155Ca -0.11 0.35 -0.02 0.00 2.57 0.00 0.00 54.79 57.58 1uup n ASP 1155Cb 0.75 -0.34 -0.04 0.00 1.84 0.00 0.00 41.12 43.34 1uup n ASP 1155CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1uup n ASN 1156N -2.19 3.74 0.00 -2.24 3.02 -0.30 -4.78 115.26 112.51 1uup n ASN 1156Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1uup n ASN 1156Cb 0.43 0.63 0.00 0.00 -0.61 0.00 0.00 39.78 40.24 1uup n ASN 1156CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1uup n LYS 1157N -2.19 0.67 -2.47 3.52 4.76 -0.56 -5.02 118.16 116.87 1uup n LYS 1157Ca -0.08 -0.86 -0.13 0.00 -2.87 0.00 0.00 58.31 54.36 1uup n LYS 1157Cb 0.66 -0.95 0.01 0.00 -1.84 0.00 0.00 35.03 32.91 1uup n LYS 1157CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1uup n GLN 1158N -0.20 -1.96 -0.31 1.97 6.02 -0.65 -4.91 117.38 117.35 1uup n GLN 1158Ca 0.00 0.58 0.13 0.00 -0.01 0.00 0.00 57.00 57.70 1uup n GLN 1158Cb 0.13 -4.73 0.31 0.00 1.02 0.00 0.00 30.24 26.97 1uup n GLN 1158CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1uup h LEU 1159N -0.41 0.35 -8.64 1.08 5.85 -1.34 -3.33 115.31 108.87 1uup h LEU 1159Ca -0.31 0.15 -0.29 0.00 0.84 0.00 0.00 57.88 58.27 1uup h LEU 1159Cb 1.22 0.12 -0.15 0.00 0.37 0.00 0.00 40.66 42.23 1uup h LEU 1159CO 0.35 0.01 -0.68 -0.31 -0.34 0.00 0.00 178.44 177.47 1uup s TYR 1160N -5.88 1.20 0.33 1.25 4.12 -1.26 -4.53 117.35 112.57 1uup s TYR 1160Ca -0.12 -0.95 -0.11 0.00 0.02 0.00 0.00 57.07 55.91 1uup s TYR 1160Cb 0.25 -0.68 0.02 0.00 -1.52 0.00 0.00 41.96 40.03 1uup s TYR 1160CO 0.78 -0.14 0.60 0.95 0.02 0.00 0.00 175.55 177.76 1uup s THR 1161N -3.58 0.00 -1.37 -0.71 -4.23 -1.26 -4.90 115.64 99.59 1uup s THR 1161Ca 0.21 -1.30 -0.09 0.00 -1.18 0.00 0.00 61.69 59.34 1uup s THR 1161Cb 0.05 -2.53 -0.07 0.00 1.34 0.00 0.00 72.50 71.29 1uup s THR 1161CO 0.03 0.00 2.93 -3.20 -0.54 0.00 0.00 174.62 173.84 1uup n ASN 1162N -1.05 8.21 0.00 3.99 2.85 -1.26 -4.48 115.26 123.53 1uup n ASN 1162Ca -0.03 -2.68 0.00 0.00 -0.11 0.00 0.00 54.58 51.76 1uup n ASN 1162Cb 0.61 -1.50 0.00 0.00 1.24 0.00 0.00 39.78 40.13 1uup n ASN 1162CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1uup n GLY 1163N 3.06 -0.60 3.69 8.20 0.00 -1.26 -4.92 105.19 113.36 1uup n GLY 1163Ca 0.71 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1uup n GLY 1163CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uup s PRO 1164N -1.47 1.20 0.23 1.61 0.04 -1.26 -4.31 135.00 131.04 1uup s PRO 1164Ca 0.00 1.16 0.05 0.00 0.04 0.00 0.00 61.00 62.26 1uup s PRO 1164Cb 0.00 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.73 1uup s PRO 1164CO 0.00 -2.38 0.29 0.45 0.04 0.00 0.00 177.00 175.40 1uup s SER 1165N -3.06 6.02 0.00 6.66 0.15 -1.26 -4.10 113.70 118.11 1uup s SER 1165Ca 0.64 -0.03 0.22 0.00 0.70 0.00 0.00 55.95 57.48 1uup s SER 1165Cb -0.20 -1.69 0.79 0.00 -1.71 0.00 0.00 66.02 63.21 1uup s SER 1165CO 0.58 -0.04 1.58 2.29 1.20 0.00 0.00 173.24 178.85 1uup n LYS 1166N -1.18 1.71 -5.09 5.44 2.85 -1.25 -4.80 118.16 115.84 1uup n LYS 1166Ca -0.08 -1.07 -0.32 0.00 -1.05 0.00 0.00 58.31 55.79 1uup n LYS 1166Cb 0.57 -1.40 -0.15 0.00 -0.65 0.00 0.00 35.03 33.39 1uup n LYS 1166CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1uup s TYR 1167N -1.82 2.56 0.07 5.58 2.02 -1.26 -3.33 117.35 121.17 1uup s TYR 1167Ca 0.33 -0.55 0.00 0.00 -0.37 0.00 0.00 57.07 56.48 1uup s TYR 1167Cb 0.18 -1.64 -0.26 0.00 -0.40 0.00 0.00 41.96 39.84 1uup s TYR 1167CO 0.27 -0.10 1.11 1.49 -1.57 0.00 0.00 175.55 176.75 1uup h GLU 1168N 5.95 0.17 -3.92 -0.62 4.57 -1.31 -3.42 114.58 115.99 1uup h GLU 1168Ca -0.35 -0.28 -0.10 0.00 -1.18 0.00 0.00 59.36 57.45 1uup h GLU 1168Cb 1.17 0.11 -0.14 0.00 -0.16 0.00 0.00 28.75 29.73 1uup h GLU 1168CO 0.49 1.09 -0.43 0.95 -1.18 0.00 0.00 179.01 179.94 1uup s THR 1169N -2.66 0.14 0.00 0.32 -4.23 -1.25 -1.12 115.64 106.84 1uup s THR 1169Ca -0.03 -1.35 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 1uup s THR 1169Cb 0.08 -1.47 0.00 0.00 1.34 0.00 0.00 72.50 72.45 1uup s THR 1169CO 0.86 -0.65 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 1uup n GLY 1170N -0.06 1.27 3.07 3.99 0.00 -1.25 -1.80 105.19 110.41 1uup n GLY 1170Ca -0.13 0.21 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 1uup n GLY 1170CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1uup s TYR 1171N -0.49 0.30 -0.15 1.61 -0.85 -0.62 0.36 117.35 117.51 1uup s TYR 1171Ca 0.00 -0.66 -0.03 0.00 -0.52 0.00 0.00 57.07 55.86 1uup s TYR 1171Cb 0.00 -0.22 -0.03 0.00 0.38 0.00 0.00 41.96 42.09 1uup s TYR 1171CO 0.00 -0.32 -0.05 -1.50 -1.52 0.00 0.00 175.55 172.17 1uup s ILE 1172N -2.60 3.83 -0.20 -3.49 2.07 -0.43 -1.55 121.20 118.83 1uup s ILE 1172Ca -0.05 -0.38 -0.03 0.00 -1.41 0.00 0.00 60.65 58.78 1uup s ILE 1172Cb -0.01 -2.67 -0.00 0.00 0.13 0.00 0.00 42.46 39.90 1uup s ILE 1172CO -0.05 0.50 -0.08 -0.75 -1.91 0.00 0.00 174.94 172.65 1uup s LYS 1173N 0.31 3.30 -0.14 3.50 2.20 0.38 -1.52 119.74 127.77 1uup s LYS 1173Ca -0.04 -0.67 -0.11 0.00 -0.36 0.00 0.00 55.97 54.78 1uup s LYS 1173Cb -0.14 -2.89 -0.05 0.00 -1.51 0.00 0.00 37.83 33.24 1uup s LYS 1173CO 0.03 -0.16 0.23 -0.06 -0.36 0.00 0.00 175.35 175.03 1uup s PHE 1174N 1.34 3.52 -0.44 4.03 0.40 0.11 -0.70 117.98 126.24 1uup s PHE 1174Ca 0.04 0.57 0.03 0.00 -0.60 0.00 0.00 56.93 56.97 1uup s PHE 1174Cb -0.14 -2.19 0.12 0.00 0.51 0.00 0.00 43.02 41.32 1uup s PHE 1174CO -0.05 0.43 0.19 0.42 0.70 0.00 0.00 175.22 176.92 1uup s ILE 1175N -0.14 1.97 0.94 0.64 1.01 -0.37 -1.80 121.20 123.45 1uup s ILE 1175Ca 0.15 -2.68 -0.11 0.00 0.00 0.00 0.00 60.65 58.01 1uup s ILE 1175Cb -0.13 -2.40 0.16 0.00 0.01 0.00 0.00 42.46 40.10 1uup s ILE 1175CO 0.04 -0.78 1.09 -2.16 0.00 0.00 0.00 174.94 173.14 1uup s PRO 1176N 0.35 0.88 0.13 2.79 0.04 -1.26 -1.71 135.00 136.22 1uup s PRO 1176Ca 0.15 1.04 -0.21 0.00 0.04 0.00 0.00 61.00 62.02 1uup s PRO 1176Cb -0.23 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 1uup s PRO 1176CO -0.04 -2.56 1.69 -0.22 0.04 0.00 0.00 177.00 175.90 1uup h LYS 1177N -1.80 -0.09 0.00 4.56 3.11 -1.93 -3.40 116.57 117.02 1uup h LYS 1177Ca -0.50 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.35 1uup h LYS 1177Cb 1.28 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.53 1uup h LYS 1177CO 0.50 -0.06 -0.90 0.09 -2.81 0.00 0.00 179.45 176.27 1uup n ASN 1178N -5.24 2.46 -4.49 4.20 3.02 -1.26 -5.07 115.26 108.88 1uup n ASN 1178Ca -0.03 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.21 1uup n ASN 1178Cb 0.16 0.00 0.17 0.00 -0.61 0.00 0.00 39.78 39.50 1uup n ASN 1178CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1uup n LYS 1179N -2.58 -0.97 -1.23 3.52 4.01 -1.26 -4.93 118.16 114.72 1uup n LYS 1179Ca 0.00 -0.24 -0.34 0.00 -0.51 0.00 0.00 58.31 57.22 1uup n LYS 1179Cb 0.45 -2.06 0.12 0.00 -0.51 0.00 0.00 35.03 33.02 1uup n LYS 1179CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1uup n GLU 1180N -3.23 0.36 -2.46 1.97 1.02 -1.26 -4.40 120.64 112.64 1uup n GLU 1180Ca 0.07 0.20 -0.25 0.00 -0.02 0.00 0.00 57.16 57.16 1uup n GLU 1180Cb 0.54 -2.44 0.04 0.00 -0.02 0.00 0.00 31.44 29.56 1uup n GLU 1180CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1uup s SER 1181N -1.97 5.28 0.23 1.62 1.04 -1.26 -4.53 113.70 114.11 1uup s SER 1181Ca 0.75 0.40 -0.20 0.00 0.48 0.00 0.00 55.95 57.37 1uup s SER 1181Cb -0.31 -1.28 0.03 0.00 0.10 0.00 0.00 66.02 64.57 1uup s SER 1181CO 0.49 -1.22 0.63 0.72 0.98 0.00 0.00 173.24 174.84 1uup s PHE 1182N -2.97 -0.24 0.15 5.02 -0.12 -0.74 -2.86 117.98 116.22 1uup s PHE 1182Ca 0.56 -0.12 -0.03 0.00 -0.05 0.00 0.00 56.93 57.29 1uup s PHE 1182Cb -0.10 0.57 -0.03 0.00 -0.63 0.00 0.00 43.02 42.82 1uup s PHE 1182CO 0.42 -1.05 0.14 1.67 -0.05 0.00 0.00 175.22 176.36 1uup s TRP 1183N -3.87 0.76 -0.04 3.49 1.48 -1.26 0.05 118.94 119.56 1uup s TRP 1183Ca 0.08 -1.11 0.03 0.00 -1.06 0.00 0.00 56.10 54.04 1uup s TRP 1183Cb -0.03 -0.36 0.01 0.00 -1.16 0.00 0.00 33.47 31.92 1uup s TRP 1183CO -0.01 -0.60 -0.10 -0.06 -4.06 0.00 0.00 176.95 172.12 1uup s PHE 1184N -4.04 1.11 -0.16 1.66 2.99 -0.57 -4.78 117.98 114.18 1uup s PHE 1184Ca 0.24 -0.31 -0.27 0.00 0.00 0.00 0.00 56.93 56.59 1uup s PHE 1184Cb 0.06 -0.80 -0.01 0.00 0.00 0.00 0.00 43.02 42.27 1uup s PHE 1184CO 0.03 -0.14 0.92 0.34 -0.00 0.00 0.00 175.22 176.37 1uup s ASP 1185N 0.30 7.07 0.58 1.36 3.68 -1.26 -1.31 116.67 127.10 1uup s ASP 1185Ca -0.06 1.32 0.30 0.00 2.13 0.00 0.00 52.55 56.25 1uup s ASP 1185Cb -0.11 -2.50 1.76 0.00 -1.45 0.00 0.00 42.92 40.63 1uup s ASP 1185CO 0.01 -0.45 2.21 -0.26 0.13 0.00 0.00 175.17 176.81 1uup h PHE 1186N 7.27 0.00 -3.19 -5.34 0.05 -0.45 -3.43 116.94 111.85 1uup h PHE 1186Ca -0.28 0.00 -0.63 0.00 3.82 0.00 0.00 57.97 60.87 1uup h PHE 1186Cb 1.13 0.00 -0.13 0.00 2.00 0.00 0.00 35.95 38.95 1uup h PHE 1186CO 0.72 0.04 -0.69 -0.06 -0.18 0.00 0.00 178.31 178.13 1uup s PHE 1187N -4.46 2.81 0.57 -0.55 0.40 -1.26 -5.04 117.98 110.45 1uup s PHE 1187Ca -0.04 -0.14 0.03 0.00 -0.60 0.00 0.00 56.93 56.18 1uup s PHE 1187Cb 0.14 -1.41 0.11 0.00 0.51 0.00 0.00 43.02 42.37 1uup s PHE 1187CO 0.55 0.48 0.78 -0.35 0.70 0.00 0.00 175.22 177.38 1uup n PRO 1188N 0.27 0.22 -1.61 0.24 -0.04 -1.26 -4.68 135.00 128.14 1uup n PRO 1188Ca -0.11 -2.39 -0.30 0.00 -0.04 0.00 0.00 63.50 60.66 1uup n PRO 1188Cb 0.54 -0.44 0.09 0.00 -0.04 0.00 0.00 33.50 33.65 1uup n PRO 1188CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1uup s GLU 1189N -4.52 2.08 0.09 0.54 2.02 -1.26 -4.65 118.70 113.00 1uup s GLU 1189Ca 0.54 0.55 -0.19 0.00 0.02 0.00 0.00 54.97 55.89 1uup s GLU 1189Cb -0.03 -1.92 -0.05 0.00 0.10 0.00 0.00 34.13 32.22 1uup s GLU 1189CO 0.35 -1.61 1.33 -1.35 0.02 0.00 0.00 175.26 174.01 1uup h PRO 1190N -1.08 -0.08 -5.17 0.39 0.11 -1.91 -3.37 132.00 120.89 1uup h PRO 1190Ca -0.47 0.01 -0.63 0.00 0.11 0.00 0.00 66.00 65.01 1uup h PRO 1190Cb 1.28 0.02 -0.20 0.00 0.11 0.00 0.00 31.00 32.20 1uup h PRO 1190CO 0.60 -0.05 -0.62 -1.21 -0.21 0.00 0.00 178.00 176.52 1uup s GLU 1191N -4.56 3.77 0.17 1.05 2.02 -1.26 -1.33 118.70 118.57 1uup s GLU 1191Ca -0.08 -0.44 -0.03 0.00 0.02 0.00 0.00 54.97 54.44 1uup s GLU 1191Cb 0.06 -3.16 0.01 0.00 0.10 0.00 0.00 34.13 31.14 1uup s GLU 1191CO 0.38 0.11 0.28 1.97 0.02 0.00 0.00 175.26 178.02 1uup n PHE 1192N 4.01 -1.20 -3.84 1.61 1.16 -1.26 -5.08 117.46 112.86 1uup n PHE 1192Ca -0.17 -1.00 -0.12 0.00 -1.87 0.00 0.00 57.45 54.29 1uup n PHE 1192Cb 0.52 0.33 -0.13 0.00 -1.61 0.00 0.00 39.48 38.58 1uup n PHE 1192CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1uup s THR 1193N -2.60 0.00 0.27 1.97 -4.23 -1.26 -5.04 115.64 104.75 1uup s THR 1193Ca 0.11 -0.01 -0.02 0.00 -1.18 0.00 0.00 61.69 60.59 1uup s THR 1193Cb -0.01 -0.12 0.31 0.00 1.34 0.00 0.00 72.50 74.01 1uup s THR 1193CO 0.08 -0.00 1.63 1.56 -0.54 0.00 0.00 174.62 177.35 1uup h GLN 1194N 6.00 0.14 -0.20 3.99 4.20 -1.92 0.24 115.11 127.56 1uup h GLN 1194Ca -0.25 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.51 1uup h GLN 1194Cb 1.20 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.89 1uup h GLN 1194CO 0.46 0.09 -0.22 1.03 -0.67 0.00 0.00 178.83 179.53 1uup h SER 1195N 0.15 -0.68 0.52 1.46 0.87 -1.95 -1.85 113.55 112.06 1uup h SER 1195Ca 0.50 0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 61.16 1uup h SER 1195Cb 0.96 0.32 0.01 0.00 -0.44 0.00 0.00 62.40 63.25 1uup h SER 1195CO -0.69 -0.26 -0.25 0.11 -0.53 0.00 0.00 176.83 175.21 1uup h LYS 1196N -0.24 -0.67 -0.72 2.24 1.79 -1.39 -3.17 116.57 114.41 1uup h LYS 1196Ca 0.12 0.05 0.15 0.00 -2.18 0.00 0.00 60.65 58.79 1uup h LYS 1196Cb 0.42 0.15 -0.10 0.00 -1.58 0.00 0.00 32.23 31.13 1uup h LYS 1196CO -0.34 -0.44 0.20 -0.92 -1.08 0.00 0.00 179.45 176.87 1uup h TYR 1197N -0.71 0.33 0.00 -1.35 3.20 -1.19 -1.86 116.97 115.40 1uup h TYR 1197Ca -0.07 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1uup h TYR 1197Cb 0.54 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.77 1uup h TYR 1197CO -0.04 -0.04 0.00 1.28 -1.64 0.00 0.00 178.16 177.73 1uup n LEU 1198N -5.11 0.00 0.12 2.82 4.77 -0.71 -3.06 117.00 115.84 1uup n LEU 1198Ca 0.13 0.36 0.08 0.00 -0.03 0.00 0.00 56.01 56.56 1uup n LEU 1198Cb 0.43 -0.36 0.43 0.00 -2.33 0.00 0.00 43.42 41.59 1uup n LEU 1198CO 0.15 -0.30 0.75 0.23 -1.33 0.00 0.00 177.39 176.89 1uup n MET 1199N -1.36 0.10 0.09 3.23 2.81 -0.70 -0.96 117.12 120.33 1uup n MET 1199Ca 0.02 0.60 0.07 0.00 -1.81 0.00 0.00 57.70 56.58 1uup n MET 1199Cb 0.05 -1.86 0.36 0.00 -0.71 0.00 0.00 33.22 31.06 1uup n MET 1199CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 1uup n ILE 1200N -2.06 1.26 0.68 2.02 -5.35 -1.17 -1.58 119.36 113.16 1uup n ILE 1200Ca -0.01 0.50 0.07 0.00 -0.27 0.00 0.00 62.75 63.04 1uup n ILE 1200Cb 0.05 -1.45 -0.02 0.00 -1.74 0.00 0.00 39.64 36.49 1uup n ILE 1200CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1uup n TYR 1201N -1.93 0.00 0.08 4.28 4.01 -0.13 -4.60 117.16 118.88 1uup n TYR 1201Ca 0.00 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.89 1uup n TYR 1201Cb 0.08 0.00 0.65 0.00 -0.31 0.00 0.00 39.34 39.76 1uup n TYR 1201CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1uup h LYS 1202N 1.41 0.05 0.00 -0.72 3.64 -1.43 -1.02 116.57 118.49 1uup h LYS 1202Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1uup h LYS 1202Cb 0.49 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1uup h LYS 1202CO 0.00 0.03 0.00 -0.40 -2.27 0.00 0.00 179.45 176.81 1uup n ASP 1203N -4.45 0.49 -2.17 4.20 5.68 -1.26 -1.81 116.55 117.23 1uup n ASP 1203Ca 0.05 0.59 -0.20 0.00 -0.50 0.00 0.00 54.79 54.73 1uup n ASP 1203Cb 0.39 -0.70 -0.02 0.00 -1.14 0.00 0.00 41.12 39.65 1uup n ASP 1203CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1uup n ASN 1204N -2.00 -5.62 -4.67 -1.12 4.05 -0.39 -4.69 115.26 100.82 1uup n ASN 1204Ca 0.04 0.04 -0.48 0.00 0.45 0.00 0.00 54.58 54.62 1uup n ASN 1204Cb 0.29 -4.67 -0.05 0.00 1.23 0.00 0.00 39.78 36.58 1uup n ASN 1204CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 1uup n GLU 1205N -2.84 2.03 -4.98 1.20 4.07 -1.26 -4.85 120.64 114.00 1uup n GLU 1205Ca -0.23 0.74 -0.31 0.00 -0.06 0.00 0.00 57.16 57.30 1uup n GLU 1205Cb 0.67 -2.53 -0.14 0.00 -0.06 0.00 0.00 31.44 29.38 1uup n GLU 1205CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 1uup s THR 1206N 2.41 2.41 0.37 6.31 -4.23 -1.26 -0.34 115.64 121.31 1uup s THR 1206Ca 0.86 -1.14 0.08 0.00 -1.18 0.00 0.00 61.69 60.32 1uup s THR 1206Cb -0.73 -1.92 -0.06 0.00 1.34 0.00 0.00 72.50 71.13 1uup s THR 1206CO 0.46 0.47 -0.00 -0.76 -0.54 0.00 0.00 174.62 174.25 1uup s LEU 1207N -0.99 2.90 -0.29 4.79 1.43 0.19 -4.90 118.68 121.82 1uup s LEU 1207Ca 0.12 -1.15 -0.23 0.00 -1.03 0.00 0.00 54.13 51.83 1uup s LEU 1207Cb -0.10 -1.15 -0.00 0.00 0.03 0.00 0.00 46.19 44.97 1uup s LEU 1207CO 0.01 -0.32 0.78 -0.62 0.23 0.00 0.00 176.35 176.44 1uup s ASP 1208N -3.71 6.69 0.31 2.29 2.15 -1.26 -0.80 116.67 122.34 1uup s ASP 1208Ca 0.35 0.74 0.22 0.00 0.43 0.00 0.00 52.55 54.29 1uup s ASP 1208Cb 0.04 -2.40 1.14 0.00 -0.30 0.00 0.00 42.92 41.39 1uup s ASP 1208CO 0.19 -0.57 1.68 -1.54 -0.17 0.00 0.00 175.17 174.76 1uup n SER 1209N 6.11 0.59 0.04 -0.34 3.41 -0.07 -2.39 113.62 120.98 1uup n SER 1209Ca 0.04 0.75 0.11 0.00 -0.26 0.00 0.00 58.87 59.50 1uup n SER 1209Cb 0.48 -0.83 -0.02 0.00 -0.26 0.00 0.00 64.21 63.58 1uup n SER 1209CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1uup n ASN 1210N -2.26 0.56 0.00 4.04 5.15 -1.26 -4.53 115.26 116.95 1uup n ASN 1210Ca -0.01 -0.05 0.00 0.00 -0.60 0.00 0.00 54.58 53.92 1uup n ASN 1210Cb 0.08 0.94 0.00 0.00 -0.53 0.00 0.00 39.78 40.26 1uup n ASN 1210CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1uup n THR 1211N -2.18 0.39 -3.62 -0.44 -2.24 -1.03 -5.06 114.28 100.09 1uup n THR 1211Ca 0.00 -0.46 -0.31 0.00 -2.27 0.00 0.00 64.05 61.01 1uup n THR 1211Cb 0.49 0.94 -0.05 0.00 -2.10 0.00 0.00 70.33 69.61 1uup n THR 1211CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1uup s SER 1212N -0.39 6.50 0.16 3.42 0.01 -1.00 -3.37 113.70 119.02 1uup s SER 1212Ca 0.00 0.62 0.08 0.00 1.31 0.00 0.00 55.95 57.96 1uup s SER 1212Cb 0.00 -2.10 -0.04 0.00 0.21 0.00 0.00 66.02 64.09 1uup s SER 1212CO 0.00 0.01 -0.17 -1.10 0.41 0.00 0.00 173.24 172.39 1uup s GLN 1213N -2.79 1.24 -0.04 12.44 -0.21 -0.69 -4.95 119.66 124.66 1uup s GLN 1213Ca 0.42 -1.39 0.05 0.00 0.02 0.00 0.00 55.36 54.45 1uup s GLN 1213Cb -0.12 -1.25 -0.01 0.00 1.00 0.00 0.00 33.01 32.64 1uup s GLN 1213CO 0.25 0.25 -0.18 0.42 -2.12 0.00 0.00 175.29 173.91 1uup s ILE 1214N -2.12 1.49 -0.02 1.08 -1.09 -1.26 -1.24 121.20 118.03 1uup s ILE 1214Ca 0.15 -0.76 0.03 0.00 -2.23 0.00 0.00 60.65 57.84 1uup s ILE 1214Cb -0.05 -1.27 -0.00 0.00 -1.58 0.00 0.00 42.46 39.55 1uup s ILE 1214CO 0.06 0.43 -0.11 -1.61 -1.23 0.00 0.00 174.94 172.48 1uup s GLU 1215N -0.04 1.10 -0.05 2.79 2.02 0.12 -2.79 118.70 121.84 1uup s GLU 1215Ca -0.02 -0.38 0.05 0.00 0.02 0.00 0.00 54.97 54.64 1uup s GLU 1215Cb -0.11 -1.01 -0.01 0.00 0.10 0.00 0.00 34.13 33.10 1uup s GLU 1215CO 0.02 0.17 -0.21 0.08 0.02 0.00 0.00 175.26 175.33 1uup s VAL 1216N 0.06 1.76 -0.11 2.63 1.01 -0.50 0.14 120.40 125.39 1uup s VAL 1216Ca -0.01 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 1uup s VAL 1216Cb -0.08 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.83 1uup s VAL 1216CO 0.01 0.50 -0.06 -0.31 0.00 0.00 0.00 175.10 175.23 1uup s TYR 1217N -0.05 1.35 0.20 5.22 2.02 -0.60 -0.55 117.35 124.95 1uup s TYR 1217Ca -0.04 -0.68 0.08 0.00 -0.37 0.00 0.00 57.07 56.07 1uup s TYR 1217Cb -0.13 -1.16 -0.05 0.00 -0.40 0.00 0.00 41.96 40.22 1uup s TYR 1217CO 0.03 -0.49 -0.16 -0.51 -1.57 0.00 0.00 175.55 172.85 1uup s LEU 1218N 1.75 2.53 0.04 -1.29 1.43 0.51 -1.59 118.68 122.07 1uup s LEU 1218Ca 0.04 -0.98 0.04 0.00 -1.03 0.00 0.00 54.13 52.20 1uup s LEU 1218Cb -0.13 -0.75 -0.02 0.00 0.03 0.00 0.00 46.19 45.32 1uup s LEU 1218CO -0.08 -0.12 -0.11 0.42 0.23 0.00 0.00 176.35 176.70 1uup s THR 1219N -2.71 0.82 0.40 5.49 -4.23 -0.74 -0.90 115.64 113.76 1uup s THR 1219Ca 0.22 -0.99 -0.04 0.00 -1.18 0.00 0.00 61.69 59.69 1uup s THR 1219Cb -0.02 -0.80 -0.04 0.00 1.34 0.00 0.00 72.50 72.98 1uup s THR 1219CO 0.08 -0.16 0.67 0.42 -0.54 0.00 0.00 174.62 175.08 1uup s THR 1220N -1.03 4.98 -2.00 3.99 -4.23 -1.26 -1.06 115.64 115.03 1uup s THR 1220Ca -0.03 0.03 0.12 0.00 -1.18 0.00 0.00 61.69 60.62 1uup s THR 1220Cb -0.08 -3.82 0.34 0.00 1.34 0.00 0.00 72.50 70.27 1uup s THR 1220CO 0.01 -0.62 1.15 0.29 -0.54 0.00 0.00 174.62 174.90