#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rqq n GLU 988 N 0.00 0.18 0.00 0.11 1.02 -1.26 -2.07 120.64 118.62 1rqq n GLU 988 Ca 0.00 0.39 0.11 0.00 -0.02 0.00 0.00 57.16 57.65 1rqq n GLU 988 Cb 0.00 -1.83 0.01 0.00 -0.02 0.00 0.00 31.44 29.60 1rqq n GLU 988 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1rqq n TRP 989 N -2.17 0.00 -1.83 -0.32 7.02 -1.26 -4.98 117.44 113.90 1rqq n TRP 989 Ca 0.02 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.11 1rqq n TRP 989 Cb 0.23 -0.01 0.02 0.00 -2.42 0.00 0.00 31.31 29.13 1rqq n TRP 989 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1rqq s GLU 990 N -2.49 3.67 -0.00 -0.99 0.41 -0.88 -1.18 118.70 117.24 1rqq s GLU 990 Ca 0.19 2.36 0.01 0.00 -0.41 0.00 0.00 54.97 57.12 1rqq s GLU 990 Cb 0.18 -2.63 -0.00 0.00 -1.78 0.00 0.00 34.13 29.90 1rqq s GLU 990 CO 0.57 -0.81 -0.03 0.08 -0.49 0.00 0.00 175.26 174.58 1rqq s VAL 991 N -1.22 0.25 0.17 2.63 1.01 0.12 -4.80 120.40 118.56 1rqq s VAL 991 Ca 0.62 -0.15 -0.32 0.00 0.00 0.00 0.00 61.98 62.13 1rqq s VAL 991 Cb -0.43 -0.22 -0.11 0.00 0.00 0.00 0.00 36.38 35.63 1rqq s VAL 991 CO 0.54 0.06 1.70 -0.44 0.00 0.00 0.00 175.10 176.97 1rqq s SER 992 N -0.10 6.45 0.36 3.32 0.01 -1.26 -4.48 113.70 118.01 1rqq s SER 992 Ca 0.01 2.76 0.21 0.00 1.31 0.00 0.00 55.95 60.23 1rqq s SER 992 Cb -0.01 -2.59 1.12 0.00 0.21 0.00 0.00 66.02 64.75 1rqq s SER 992 CO -0.00 -0.94 1.60 -0.09 0.41 0.00 0.00 173.24 174.22 1rqq h ARG 993 N 7.30 0.00 0.00 12.44 2.43 -1.95 0.57 114.38 135.18 1rqq h ARG 993 Ca -0.44 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.58 1rqq h ARG 993 Cb 1.20 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 1rqq h ARG 993 CO 0.94 0.00 -0.76 1.05 -1.51 0.00 0.00 179.97 179.70 1rqq h GLU 994 N 0.00 0.00 0.00 0.20 4.11 -2.03 -3.12 114.58 113.75 1rqq h GLU 994 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1rqq h GLU 994 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1rqq h GLU 994 CO 0.00 0.76 0.00 1.63 0.07 0.00 0.00 179.01 181.47 1rqq n LYS 995 N -3.32 0.33 -4.38 1.06 5.02 0.19 -4.76 118.16 112.30 1rqq n LYS 995 Ca 0.01 0.05 -0.35 0.00 -2.02 0.00 0.00 58.31 56.00 1rqq n LYS 995 Cb 0.83 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 34.24 1rqq n LYS 995 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1rqq s ILE 996 N -2.60 4.28 -0.05 -0.18 -1.09 -1.18 -1.12 121.20 119.26 1rqq s ILE 996 Ca 0.23 -0.26 -0.02 0.00 -2.23 0.00 0.00 60.65 58.37 1rqq s ILE 996 Cb 0.17 -2.80 0.04 0.00 -1.58 0.00 0.00 42.46 38.28 1rqq s ILE 996 CO 0.38 0.60 0.09 -0.89 -1.23 0.00 0.00 174.94 173.90 1rqq s THR 997 N -0.81 -0.16 -0.03 2.92 2.01 -0.72 -5.00 115.64 113.85 1rqq s THR 997 Ca 0.12 0.40 -0.25 0.00 0.31 0.00 0.00 61.69 62.27 1rqq s THR 997 Cb -0.11 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.16 1rqq s THR 997 CO 0.02 0.17 0.78 -0.76 -0.69 0.00 0.00 174.62 174.14 1rqq s LEU 998 N 2.17 4.35 -0.02 4.42 1.02 -1.26 -0.35 118.68 129.01 1rqq s LEU 998 Ca 0.04 1.35 -0.01 0.00 0.02 0.00 0.00 54.13 55.53 1rqq s LEU 998 Cb -0.12 -3.23 -0.00 0.00 0.02 0.00 0.00 46.19 42.85 1rqq s LEU 998 CO -0.04 -0.14 -0.03 0.18 0.02 0.00 0.00 176.35 176.35 1rqq n LEU 999 N 3.67 0.26 0.00 1.79 7.99 0.10 -4.94 117.00 125.88 1rqq n LEU 999 Ca 0.01 0.28 -0.05 0.00 -0.01 0.00 0.00 56.01 56.24 1rqq n LEU 999 Cb 0.51 -0.55 -0.02 0.00 -0.11 0.00 0.00 43.42 43.25 1rqq n LEU 999 CO 0.48 -0.49 -0.03 -2.11 -1.51 0.00 0.00 177.39 173.73 1rqq n ARG 1000N -2.61 0.19 -4.02 3.23 1.85 -1.15 -4.99 116.66 109.16 1rqq n ARG 1000Ca -0.01 -0.83 -0.35 0.00 -1.00 0.00 0.00 57.85 55.66 1rqq n ARG 1000Cb 0.04 0.65 -0.09 0.00 -1.05 0.00 0.00 32.46 32.01 1rqq n ARG 1000CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1rqq s GLU 1001N -2.34 3.87 -0.13 2.89 2.02 -1.26 -1.56 118.70 122.19 1rqq s GLU 1001Ca 0.09 -0.33 -0.06 0.00 0.02 0.00 0.00 54.97 54.70 1rqq s GLU 1001Cb 0.00 -3.19 -0.25 0.00 0.10 0.00 0.00 34.13 30.80 1rqq s GLU 1001CO 0.07 0.35 0.31 1.28 0.02 0.00 0.00 175.26 177.28 1rqq n LEU 1002N 3.31 2.65 0.00 1.80 4.77 0.13 -4.84 117.00 124.82 1rqq n LEU 1002Ca -0.17 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1rqq n LEU 1002Cb 0.52 -1.08 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 1rqq n LEU 1002CO 0.35 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 177.87 1rqq n GLY 1003N 2.02 0.91 3.80 -0.72 0.00 -0.92 -5.02 105.19 105.25 1rqq n GLY 1003Ca -0.33 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 44.71 1rqq n GLY 1003CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1rqq s GLN 1004N -2.00 4.15 0.40 1.61 0.74 -1.26 -0.62 119.66 122.67 1rqq s GLN 1004Ca 0.00 0.57 0.08 0.00 0.05 0.00 0.00 55.36 56.06 1rqq s GLN 1004Cb 0.00 -3.29 -0.01 0.00 1.10 0.00 0.00 33.01 30.82 1rqq s GLN 1004CO 0.00 0.53 0.47 0.20 -0.55 0.00 0.00 175.29 175.93 1rqq s GLY 1005N -0.63 1.94 0.54 2.59 0.00 0.11 -4.91 107.32 106.96 1rqq s GLY 1005Ca 0.27 -1.71 0.22 0.00 0.00 0.00 0.00 44.72 43.50 1rqq s GLY 1005CO 0.15 -1.55 2.09 1.48 0.00 0.00 0.00 173.10 175.27 1rqq h SER 1006N 0.86 0.00 0.00 1.64 4.64 -1.99 -3.20 113.55 115.50 1rqq h SER 1006Ca -0.42 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.78 1rqq h SER 1006Cb 1.27 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.11 1rqq h SER 1006CO 0.51 0.00 -0.77 2.22 -0.87 0.00 0.00 176.83 177.92 1rqq n PHE 1007N -4.35 0.00 -3.85 4.77 -1.74 -1.26 -5.10 117.46 105.93 1rqq n PHE 1007Ca 0.03 -0.36 -0.05 0.00 -0.56 0.00 0.00 57.45 56.50 1rqq n PHE 1007Cb 0.33 -0.02 0.02 0.00 1.52 0.00 0.00 39.48 41.32 1rqq n PHE 1007CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 1rqq s GLY 1008N -1.55 0.17 -0.02 4.97 0.00 -1.21 -1.59 107.32 108.09 1rqq s GLY 1008Ca 0.20 -0.44 0.07 0.00 0.00 0.00 0.00 44.72 44.55 1rqq s GLY 1008CO -0.10 1.41 -0.22 -0.29 0.00 0.00 0.00 173.10 173.90 1rqq s MET 1009N -2.30 1.88 -0.22 2.90 1.75 -1.17 0.09 119.30 122.24 1rqq s MET 1009Ca 0.19 -0.79 -0.06 0.00 -1.25 0.00 0.00 55.69 53.78 1rqq s MET 1009Cb -0.03 -1.78 -0.03 0.00 2.84 0.00 0.00 34.83 35.83 1rqq s MET 1009CO 0.07 0.45 0.03 0.08 -0.65 0.00 0.00 175.02 175.01 1rqq s VAL 1010N -0.45 4.17 0.21 10.11 1.01 0.21 -2.10 120.40 133.56 1rqq s VAL 1010Ca 0.07 -0.23 0.08 0.00 0.00 0.00 0.00 61.98 61.90 1rqq s VAL 1010Cb -0.09 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1rqq s VAL 1010CO -0.00 0.40 -0.00 -0.31 0.00 0.00 0.00 175.10 175.19 1rqq s TYR 1011N 1.16 2.78 0.05 5.22 2.02 0.02 0.17 117.35 128.77 1rqq s TYR 1011Ca 0.04 -0.18 -0.00 0.00 -0.37 0.00 0.00 57.07 56.56 1rqq s TYR 1011Cb -0.14 -1.30 -0.04 0.00 -0.40 0.00 0.00 41.96 40.08 1rqq s TYR 1011CO 0.02 0.55 0.19 -2.00 -1.57 0.00 0.00 175.55 172.75 1rqq s GLU 1012N -3.26 3.39 0.04 -0.62 2.12 -0.60 0.37 118.70 120.13 1rqq s GLU 1012Ca 0.29 -0.44 -0.04 0.00 0.36 0.00 0.00 54.97 55.14 1rqq s GLU 1012Cb -0.08 -3.02 0.01 0.00 0.26 0.00 0.00 34.13 31.30 1rqq s GLU 1012CO 0.19 0.62 0.18 0.41 -0.54 0.00 0.00 175.26 176.12 1rqq n GLY 1013N 0.44 1.25 3.40 -1.50 0.00 -0.34 0.02 105.19 108.45 1rqq n GLY 1013Ca -0.06 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 1rqq n GLY 1013CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rqq s ASN 1014N -1.44 3.39 -0.07 1.61 0.02 0.53 -1.03 114.94 117.95 1rqq s ASN 1014Ca 0.04 -0.72 -0.01 0.00 -1.02 0.00 0.00 52.86 51.15 1rqq s ASN 1014Cb -0.01 -0.26 0.03 0.00 0.02 0.00 0.00 41.25 41.03 1rqq s ASN 1014CO 0.01 0.18 -0.01 0.00 0.02 0.00 0.00 177.10 177.30 1rqq s ALA 1015N -1.07 0.73 -0.06 0.60 0.00 -0.37 -1.76 121.76 119.83 1rqq s ALA 1015Ca 0.14 -0.13 -0.22 0.00 0.00 0.00 0.00 51.96 51.75 1rqq s ALA 1015Cb -0.10 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 1rqq s ALA 1015CO 0.06 -0.36 0.63 1.03 0.00 0.00 0.00 175.76 177.13 1rqq s ARG 1016N 1.72 4.40 -1.44 0.00 0.52 -0.27 -0.21 118.95 123.67 1rqq s ARG 1016Ca 0.01 0.76 -0.08 0.00 -0.52 0.00 0.00 55.73 55.91 1rqq s ARG 1016Cb -0.13 -3.43 0.05 0.00 0.52 0.00 0.00 34.95 31.97 1rqq s ARG 1016CO -0.04 0.14 0.87 -0.25 0.02 0.00 0.00 175.30 176.04 1rqq n ASP 1017N 3.55 -3.34 0.02 0.23 10.43 0.22 -4.87 116.55 122.78 1rqq n ASP 1017Ca -0.03 -0.79 0.05 0.00 2.57 0.00 0.00 54.79 56.58 1rqq n ASP 1017Cb 0.51 -3.96 -0.10 0.00 1.84 0.00 0.00 41.12 39.41 1rqq n ASP 1017CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1rqq n ILE 1018N -4.53 0.71 -3.95 0.53 3.06 -1.26 -4.77 119.36 109.15 1rqq n ILE 1018Ca -0.10 -0.62 -0.29 0.00 -2.50 0.00 0.00 62.75 59.24 1rqq n ILE 1018Cb 0.59 -0.37 -0.16 0.00 0.54 0.00 0.00 39.64 40.24 1rqq n ILE 1018CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 1rqq s ILE 1019N -3.15 1.39 0.01 9.51 1.01 -1.26 -5.00 121.20 123.70 1rqq s ILE 1019Ca -0.05 -0.78 -0.36 0.00 0.00 0.00 0.00 60.65 59.46 1rqq s ILE 1019Cb 0.10 -1.48 -0.15 0.00 0.01 0.00 0.00 42.46 40.94 1rqq s ILE 1019CO 0.84 0.19 1.55 2.29 0.00 0.00 0.00 174.94 179.82 1rqq n LYS 1020N 4.78 1.54 0.00 2.79 -0.00 -1.26 -0.85 118.16 125.16 1rqq n LYS 1020Ca -0.14 0.56 0.00 0.00 -0.00 0.00 0.00 58.31 58.73 1rqq n LYS 1020Cb 0.48 -2.27 0.00 0.00 -0.00 0.00 0.00 35.03 33.24 1rqq n LYS 1020CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1rqq n GLY 1021N 3.32 0.47 3.06 2.58 0.00 -1.26 -5.07 105.19 108.29 1rqq n GLY 1021Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 1rqq n GLY 1021CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rqq s GLU 1022N -0.72 2.05 0.01 1.61 2.02 -0.03 -5.04 118.70 118.60 1rqq s GLU 1022Ca 0.00 -0.52 -0.17 0.00 0.02 0.00 0.00 54.97 54.30 1rqq s GLU 1022Cb 0.00 -1.69 -0.09 0.00 0.10 0.00 0.00 34.13 32.45 1rqq s GLU 1022CO 0.00 0.02 1.03 0.00 0.02 0.00 0.00 175.26 176.32 1rqq h ALA 1023N 7.09 -0.94 -3.80 5.21 0.00 -1.92 -3.25 119.26 121.65 1rqq h ALA 1023Ca -0.29 -0.13 -0.42 0.00 0.00 0.00 0.00 54.91 54.07 1rqq h ALA 1023Cb 1.19 0.23 -0.26 0.00 0.00 0.00 0.00 17.79 18.96 1rqq h ALA 1023CO 0.47 -0.90 -0.79 -1.83 0.00 0.00 0.00 179.25 176.21 1rqq s GLU 1024N -3.93 0.86 -0.06 0.00 -1.05 -1.26 0.70 118.70 113.96 1rqq s GLU 1024Ca -0.09 -0.63 0.03 0.00 -0.15 0.00 0.00 54.97 54.13 1rqq s GLU 1024Cb 0.01 -0.84 0.00 0.00 -0.44 0.00 0.00 34.13 32.87 1rqq s GLU 1024CO 0.26 0.21 -0.16 0.99 0.95 0.00 0.00 175.26 177.52 1rqq s THR 1025N -0.70 1.36 0.06 1.83 2.01 0.71 -4.90 115.64 116.01 1rqq s THR 1025Ca 0.01 -0.64 -0.31 0.00 0.31 0.00 0.00 61.69 61.07 1rqq s THR 1025Cb -0.07 -1.20 -0.06 0.00 0.01 0.00 0.00 72.50 71.19 1rqq s THR 1025CO 0.01 0.40 1.23 -0.60 -0.69 0.00 0.00 174.62 174.97 1rqq s ARG 1026N 0.37 4.41 0.29 4.92 6.06 -1.26 -1.23 118.95 132.50 1rqq s ARG 1026Ca -0.11 1.82 0.04 0.00 -2.50 0.00 0.00 55.73 54.98 1rqq s ARG 1026Cb -0.14 -3.34 -0.03 0.00 0.06 0.00 0.00 34.95 31.49 1rqq s ARG 1026CO 0.04 -0.30 0.22 0.14 -2.50 0.00 0.00 175.30 172.90 1rqq s VAL 1027N 1.13 0.03 0.04 7.11 -7.23 -0.20 -4.40 120.40 116.89 1rqq s VAL 1027Ca 0.60 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.80 1rqq s VAL 1027Cb -0.31 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.10 1rqq s VAL 1027CO 0.29 0.00 -0.01 0.00 -0.31 0.00 0.00 175.10 175.07 1rqq s ALA 1028N -3.69 3.26 -0.12 1.32 0.00 -0.73 -1.20 121.76 120.60 1rqq s ALA 1028Ca 0.40 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 1rqq s ALA 1028Cb 0.04 -1.26 0.04 0.00 0.00 0.00 0.00 23.12 21.94 1rqq s ALA 1028CO 0.22 0.67 -0.01 0.08 0.00 0.00 0.00 175.76 176.71 1rqq s VAL 1029N -1.17 0.63 0.06 0.00 1.01 0.16 -1.87 120.40 119.22 1rqq s VAL 1029Ca 0.22 -0.19 -0.14 0.00 0.00 0.00 0.00 61.98 61.87 1rqq s VAL 1029Cb -0.12 -0.83 -0.06 0.00 0.00 0.00 0.00 36.38 35.37 1rqq s VAL 1029CO 0.13 0.18 0.46 -0.54 0.00 0.00 0.00 175.10 175.33 1rqq s LYS 1030N 1.85 3.94 0.23 2.72 1.02 -0.09 -0.80 119.74 128.61 1rqq s LYS 1030Ca 0.03 0.42 0.00 0.00 0.02 0.00 0.00 55.97 56.45 1rqq s LYS 1030Cb -0.14 -3.12 -0.04 0.00 -0.52 0.00 0.00 37.83 34.02 1rqq s LYS 1030CO -0.07 0.61 0.14 0.95 -0.92 0.00 0.00 175.35 176.07 1rqq s THR 1031N -1.23 0.13 -0.05 2.17 -4.23 -0.89 -1.88 115.64 109.65 1rqq s THR 1031Ca 0.29 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.87 1rqq s THR 1031Cb -0.16 -2.53 -0.01 0.00 1.34 0.00 0.00 72.50 71.14 1rqq s THR 1031CO 0.16 0.00 -0.25 -0.69 -0.54 0.00 0.00 174.62 173.31 1rqq s VAL 1032N -3.98 2.01 0.48 2.29 1.01 -1.26 -3.02 120.40 117.93 1rqq s VAL 1032Ca 0.39 -1.05 -0.22 0.00 0.00 0.00 0.00 61.98 61.09 1rqq s VAL 1032Cb 0.07 -1.70 -0.07 0.00 0.00 0.00 0.00 36.38 34.68 1rqq s VAL 1032CO 0.14 0.56 1.20 0.20 0.00 0.00 0.00 175.10 177.20 1rqq s ASN 1033N -0.22 5.98 0.30 3.32 0.01 -0.62 -4.90 114.94 118.80 1rqq s ASN 1033Ca -0.02 2.38 0.02 0.00 -0.71 0.00 0.00 52.86 54.53 1rqq s ASN 1033Cb -0.13 -2.61 0.56 0.00 0.41 0.00 0.00 41.25 39.48 1rqq s ASN 1033CO 0.03 -1.06 1.88 1.05 -1.51 0.00 0.00 177.10 177.49 1rqq h GLU 1034N 1.88 0.96 0.00 -0.60 4.11 -2.00 0.44 114.58 119.38 1rqq h GLU 1034Ca -0.50 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 58.88 1rqq h GLU 1034Cb 1.26 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1rqq h GLU 1034CO 0.59 0.64 0.00 -1.13 0.07 0.00 0.00 179.01 179.18 1rqq n SER 1035N -4.54 0.00 -4.75 3.06 3.41 -1.26 -4.84 113.62 104.70 1rqq n SER 1035Ca 0.16 -1.22 -0.41 0.00 -0.26 0.00 0.00 58.87 57.14 1rqq n SER 1035Cb 0.28 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.19 1rqq n SER 1035CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rqq s ALA 1036N -2.00 3.44 0.74 7.33 0.00 0.14 -5.01 121.76 126.40 1rqq s ALA 1036Ca 0.11 1.00 -0.11 0.00 0.00 0.00 0.00 51.96 52.96 1rqq s ALA 1036Cb 0.05 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.82 1rqq s ALA 1036CO 0.09 -0.33 1.08 -1.54 0.00 0.00 0.00 175.76 175.05 1rqq s SER 1037N -0.49 4.89 0.18 0.00 1.04 -1.26 -4.84 113.70 113.23 1rqq s SER 1037Ca 0.48 1.68 -0.12 0.00 0.48 0.00 0.00 55.95 58.47 1rqq s SER 1037Cb -0.34 -2.47 0.16 0.00 0.10 0.00 0.00 66.02 63.48 1rqq s SER 1037CO 0.42 -1.77 1.77 0.25 0.98 0.00 0.00 173.24 174.90 1rqq h LEU 1038N -0.94 0.33 -1.45 2.42 6.46 -1.98 0.33 115.31 120.47 1rqq h LEU 1038Ca -0.44 0.04 0.09 0.00 -0.12 0.00 0.00 57.88 57.45 1rqq h LEU 1038Cb 1.22 -0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 41.09 1rqq h LEU 1038CO 0.55 0.22 0.47 -0.09 -0.62 0.00 0.00 178.44 178.97 1rqq h ARG 1039N 0.47 0.61 0.05 1.25 2.43 -1.99 0.13 114.38 117.33 1rqq h ARG 1039Ca 0.24 -0.04 -0.23 0.00 -0.81 0.00 0.00 59.98 59.14 1rqq h ARG 1039Cb 0.19 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1rqq h ARG 1039CO -0.19 0.40 -1.05 0.93 -1.51 0.00 0.00 179.97 178.55 1rqq h GLU 1040N 0.63 0.20 -0.50 0.20 5.08 -1.62 -2.73 114.58 115.84 1rqq h GLU 1040Ca 0.33 -0.28 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 1rqq h GLU 1040Cb 0.45 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1rqq h GLU 1040CO -0.11 1.08 -0.12 0.00 -1.00 0.00 0.00 179.01 178.86 1rqq h ARG 1041N 0.08 0.96 -0.62 2.33 3.08 0.59 -0.89 114.38 119.90 1rqq h ARG 1041Ca -0.08 -0.37 -0.04 0.00 0.07 0.00 0.00 59.98 59.57 1rqq h ARG 1041Cb 1.75 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.72 1rqq h ARG 1041CO 0.16 1.03 0.23 0.82 -1.07 0.00 0.00 179.97 181.15 1rqq h ILE 1042N 0.81 1.24 -0.24 2.04 2.04 -0.85 -0.08 117.51 122.47 1rqq h ILE 1042Ca 0.13 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 1rqq h ILE 1042Cb 0.68 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1rqq h ILE 1042CO 0.05 0.30 0.13 -0.08 0.00 0.00 0.00 178.15 178.54 1rqq h GLU 1043N 0.88 0.34 -0.61 2.37 4.81 -1.29 0.12 114.58 121.20 1rqq h GLU 1043Ca 0.21 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.46 1rqq h GLU 1043Cb 0.23 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.49 1rqq h GLU 1043CO -0.01 0.31 0.30 0.35 -0.73 0.00 0.00 179.01 179.23 1rqq h PHE 1044N 0.27 0.54 0.00 0.92 3.57 -0.84 -0.34 116.94 121.05 1rqq h PHE 1044Ca 0.08 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 1rqq h PHE 1044Cb 0.08 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 1rqq h PHE 1044CO -0.03 0.22 -0.28 -0.07 -2.23 0.00 0.00 178.31 175.92 1rqq h LEU 1045N 0.54 0.00 -0.15 0.59 3.38 -0.68 -3.09 115.31 115.90 1rqq h LEU 1045Ca 0.28 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.20 1rqq h LEU 1045Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1rqq h LEU 1045CO -0.22 0.28 -0.14 -1.13 0.09 0.00 0.00 178.44 177.33 1rqq h ASN 1046N 0.00 0.38 -0.40 -0.43 -1.24 0.89 -1.34 115.58 113.44 1rqq h ASN 1046Ca -0.00 -0.47 0.06 0.00 0.71 0.00 0.00 56.30 56.60 1rqq h ASN 1046Cb 0.80 -0.11 -0.05 0.00 0.73 0.00 0.00 38.32 39.69 1rqq h ASN 1046CO 0.04 0.77 0.10 -0.08 -1.29 0.00 0.00 177.43 176.97 1rqq h GLU 1047N 0.00 0.24 0.13 6.67 4.81 -1.22 0.06 114.58 125.27 1rqq h GLU 1047Ca 0.03 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1rqq h GLU 1047Cb 0.66 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1rqq h GLU 1047CO 0.03 0.16 -0.06 0.00 -0.73 0.00 0.00 179.01 178.41 1rqq h ALA 1048N 1.29 -0.18 -0.26 2.92 0.00 -1.52 -2.13 119.26 119.38 1rqq h ALA 1048Ca 0.19 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1rqq h ALA 1048Cb 0.21 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 1rqq h ALA 1048CO -0.23 -0.58 -0.17 1.03 0.00 0.00 0.00 179.25 179.30 1rqq h SER 1049N -0.21 -0.57 0.22 0.00 0.87 -0.67 -2.41 113.55 110.78 1rqq h SER 1049Ca -0.02 0.12 -0.09 0.00 -1.23 0.00 0.00 61.79 60.58 1rqq h SER 1049Cb 0.17 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 1rqq h SER 1049CO 0.03 -0.21 -0.34 -0.37 -0.53 0.00 0.00 176.83 175.41 1rqq h VAL 1050N -0.16 1.27 0.00 2.23 -1.51 -0.92 -2.72 116.25 114.45 1rqq h VAL 1050Ca 0.14 -1.30 -0.03 0.00 -1.23 0.00 0.00 66.70 64.28 1rqq h VAL 1050Cb 0.37 1.58 -0.00 0.00 -2.13 0.00 0.00 31.29 31.11 1rqq h VAL 1050CO -0.36 0.39 -0.14 0.24 -1.23 0.00 0.00 177.57 176.47 1rqq h MET 1051N 0.15 0.00 -0.83 5.19 2.07 -0.89 -2.90 114.93 117.73 1rqq h MET 1051Ca 0.02 0.00 0.16 0.00 -2.07 0.00 0.00 59.70 57.80 1rqq h MET 1051Cb 0.68 0.00 -0.06 0.00 -1.87 0.00 0.00 31.60 30.35 1rqq h MET 1051CO 0.05 0.14 0.55 0.87 1.07 0.00 0.00 176.91 179.58 1rqq h LYS 1052N 0.00 0.51 -0.35 1.72 1.57 -1.19 -0.86 116.57 117.97 1rqq h LYS 1052Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1rqq h LYS 1052Cb 0.35 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1rqq h LYS 1052CO 0.02 0.34 0.00 0.41 -0.57 0.00 0.00 179.45 179.65 1rqq n GLY 1053N -1.48 0.77 3.76 3.86 0.00 -1.09 -4.92 105.19 106.08 1rqq n GLY 1053Ca 0.16 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 1rqq n GLY 1053CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rqq s PHE 1054N -1.53 3.33 -0.41 1.61 0.08 -0.33 -5.04 117.98 115.69 1rqq s PHE 1054Ca 0.28 0.32 0.04 0.00 0.12 0.00 0.00 56.93 57.69 1rqq s PHE 1054Cb 0.15 -1.84 0.16 0.00 -0.57 0.00 0.00 43.02 40.92 1rqq s PHE 1054CO 0.20 0.58 0.40 0.99 -0.10 0.00 0.00 175.22 177.29 1rqq s THR 1055N -0.95 -0.14 -0.06 0.64 2.01 -1.26 -4.83 115.64 111.04 1rqq s THR 1055Ca 0.14 -1.67 -0.04 0.00 0.31 0.00 0.00 61.69 60.43 1rqq s THR 1055Cb -0.12 -0.82 0.02 0.00 0.01 0.00 0.00 72.50 71.60 1rqq s THR 1055CO 0.03 -0.78 0.14 0.00 -0.69 0.00 0.00 174.62 173.33 1rqq h HIS 1057N 6.47 0.00 -0.51 0.00 -0.00 -1.97 -2.16 115.15 116.98 1rqq h HIS 1057Ca -0.32 0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 59.91 1rqq h HIS 1057Cb 1.18 0.00 -0.08 0.00 -0.00 0.00 0.00 27.41 28.50 1rqq h HIS 1057CO 0.41 0.02 0.12 0.72 -0.00 0.00 0.00 177.93 179.20 1rqq n HIS 1058N -3.43 1.71 -4.06 5.26 8.25 -1.26 -4.87 115.22 116.82 1rqq n HIS 1058Ca -0.03 -1.18 -0.22 0.00 -0.26 0.00 0.00 57.72 56.04 1rqq n HIS 1058Cb 0.12 -0.53 -0.17 0.00 1.12 0.00 0.00 29.99 30.53 1rqq n HIS 1058CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1rqq s VAL 1059N -3.00 0.57 0.13 1.59 1.01 -0.81 -1.20 120.40 118.69 1rqq s VAL 1059Ca 0.49 -0.09 -0.35 0.00 0.00 0.00 0.00 61.98 62.03 1rqq s VAL 1059Cb 0.40 -0.62 -0.15 0.00 0.00 0.00 0.00 36.38 36.01 1rqq s VAL 1059CO 0.09 0.25 1.43 0.52 0.00 0.00 0.00 175.10 177.40 1rqq n VAL 1060N 4.40 0.09 -3.37 2.92 0.31 -0.03 -4.64 118.33 118.01 1rqq n VAL 1060Ca -0.19 -0.02 -0.38 0.00 -0.01 0.00 0.00 64.34 63.73 1rqq n VAL 1060Cb 0.51 -1.15 -0.06 0.00 -0.91 0.00 0.00 33.84 32.23 1rqq n VAL 1060CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1rqq s ARG 1061N 0.57 4.09 0.06 5.55 3.52 -1.26 -4.95 118.95 126.53 1rqq s ARG 1061Ca 0.81 0.58 -0.27 0.00 -0.13 0.00 0.00 55.73 56.71 1rqq s ARG 1061Cb -0.82 -3.25 -0.05 0.00 -1.56 0.00 0.00 34.95 29.27 1rqq s ARG 1061CO 0.43 0.62 0.86 -1.17 -0.81 0.00 0.00 175.30 175.23 1rqq s LEU 1062N -0.93 4.46 -0.12 -0.88 2.96 -1.26 -1.08 118.68 121.83 1rqq s LEU 1062Ca 0.27 1.59 0.06 0.00 -0.22 0.00 0.00 54.13 55.83 1rqq s LEU 1062Cb -0.18 -3.40 -0.12 0.00 0.50 0.00 0.00 46.19 42.99 1rqq s LEU 1062CO 0.16 -0.05 -0.02 0.18 -1.32 0.00 0.00 176.35 175.30 1rqq n LEU 1063N 2.93 1.13 0.00 -0.68 4.77 0.17 -4.90 117.00 120.42 1rqq n LEU 1063Ca 0.00 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1rqq n LEU 1063Cb 0.50 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1rqq n LEU 1063CO 0.49 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 1rqq n GLY 1064N 2.52 -0.04 2.96 -0.72 0.00 -0.48 -4.98 105.19 104.44 1rqq n GLY 1064Ca -0.20 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 1rqq n GLY 1064CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rqq s VAL 1065N -2.00 0.09 -0.30 1.61 1.01 -0.32 -0.07 120.40 120.41 1rqq s VAL 1065Ca 0.00 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1rqq s VAL 1065Cb 0.00 -0.21 0.09 0.00 0.00 0.00 0.00 36.38 36.26 1rqq s VAL 1065CO 0.00 -0.40 0.04 -0.69 0.00 0.00 0.00 175.10 174.05 1rqq s VAL 1066N -1.18 1.62 -0.12 2.92 1.01 -0.22 0.16 120.40 124.60 1rqq s VAL 1066Ca -0.13 -1.75 0.15 0.00 0.00 0.00 0.00 61.98 60.25 1rqq s VAL 1066Cb -0.08 -2.12 -0.22 0.00 0.00 0.00 0.00 36.38 33.96 1rqq s VAL 1066CO -0.01 -0.50 0.14 -0.24 0.00 0.00 0.00 175.10 174.49 1rqq n SER 1067N 4.56 1.04 -4.58 3.32 2.88 -1.26 -1.59 113.62 117.99 1rqq n SER 1067Ca -0.02 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.12 1rqq n SER 1067Cb 0.42 1.13 -0.03 0.00 -0.75 0.00 0.00 64.21 64.98 1rqq n SER 1067CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1rqq n LYS 1068N -2.47 1.55 -1.08 -1.46 4.01 -1.26 -4.53 118.16 112.92 1rqq n LYS 1068Ca -0.20 0.29 0.00 0.00 -0.51 0.00 0.00 58.31 57.89 1rqq n LYS 1068Cb 0.88 -3.33 0.00 0.00 -0.51 0.00 0.00 35.03 32.07 1rqq n LYS 1068CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1rqq n GLY 1069N 5.89 -4.05 3.85 0.72 0.00 -1.26 -4.95 105.19 105.39 1rqq n GLY 1069Ca 0.33 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 1rqq n GLY 1069CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rqq s GLN 1070N -4.54 3.16 0.49 1.61 -1.52 -1.26 -4.47 119.66 113.12 1rqq s GLN 1070Ca 0.00 0.73 -0.19 0.00 -1.95 0.00 0.00 55.36 53.96 1rqq s GLN 1070Cb 0.00 -2.03 -0.09 0.00 -0.22 0.00 0.00 33.01 30.67 1rqq s GLN 1070CO 0.00 -0.88 0.99 -1.25 -0.25 0.00 0.00 175.29 173.90 1rqq s PRO 1071N -5.18 3.94 0.26 2.91 0.04 -1.26 -5.12 135.00 130.59 1rqq s PRO 1071Ca 0.57 1.11 -0.29 0.00 0.04 0.00 0.00 61.00 62.43 1rqq s PRO 1071Cb -0.12 -2.13 -0.09 0.00 0.04 0.00 0.00 34.50 32.20 1rqq s PRO 1071CO 0.54 -0.29 0.95 0.99 0.04 0.00 0.00 177.00 179.23 1rqq s THR 1072N -2.34 4.08 -0.09 1.26 2.01 -1.26 -4.92 115.64 114.39 1rqq s THR 1072Ca 0.62 1.99 0.03 0.00 0.31 0.00 0.00 61.69 64.65 1rqq s THR 1072Cb -0.11 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.17 1rqq s THR 1072CO 0.24 0.40 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.60 1rqq s LEU 1073N -1.43 1.95 -0.30 4.42 1.43 -0.62 -4.41 118.68 119.73 1rqq s LEU 1073Ca 0.44 -0.47 -0.06 0.00 -1.03 0.00 0.00 54.13 53.00 1rqq s LEU 1073Cb -0.24 -1.22 0.02 0.00 0.03 0.00 0.00 46.19 44.77 1rqq s LEU 1073CO 0.30 0.12 0.07 -0.69 0.23 0.00 0.00 176.35 176.38 1rqq s VAL 1074N 0.43 3.83 -0.23 -1.59 1.01 -0.79 -1.05 120.40 122.01 1rqq s VAL 1074Ca -0.17 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 60.91 1rqq s VAL 1074Cb -0.17 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 1rqq s VAL 1074CO 0.07 0.05 0.17 -0.69 0.00 0.00 0.00 175.10 174.70 1rqq s VAL 1075N 1.47 5.36 0.33 2.92 1.01 0.90 -0.91 120.40 131.48 1rqq s VAL 1075Ca 0.02 0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.26 1rqq s VAL 1075Cb -0.17 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1rqq s VAL 1075CO 0.02 0.36 0.21 0.00 0.00 0.00 0.00 175.10 175.69 1rqq s MET 1076N 0.92 1.71 0.45 2.72 0.23 -0.78 0.41 119.30 124.97 1rqq s MET 1076Ca 0.08 -2.00 -0.24 0.00 -1.03 0.00 0.00 55.69 52.51 1rqq s MET 1076Cb -0.13 0.04 -0.07 0.00 -1.53 0.00 0.00 34.83 33.13 1rqq s MET 1076CO 0.03 -0.55 1.21 -1.83 -2.03 0.00 0.00 175.02 171.85 1rqq s GLU 1077N -3.64 3.76 -0.21 3.16 -1.05 -0.24 -1.78 118.70 118.70 1rqq s GLU 1077Ca 0.36 1.90 -0.27 0.00 -0.15 0.00 0.00 54.97 56.81 1rqq s GLU 1077Cb 0.03 -2.48 -0.00 0.00 -0.44 0.00 0.00 34.13 31.24 1rqq s GLU 1077CO 0.21 -0.59 0.93 -1.17 0.95 0.00 0.00 175.26 175.60 1rqq s LEU 1078N -2.91 4.13 -0.86 1.83 2.96 -1.26 -4.46 118.68 118.10 1rqq s LEU 1078Ca 0.63 1.25 -0.15 0.00 -0.22 0.00 0.00 54.13 55.64 1rqq s LEU 1078Cb -0.32 -3.38 0.19 0.00 0.50 0.00 0.00 46.19 43.19 1rqq s LEU 1078CO 0.39 -0.54 0.88 -0.04 -1.32 0.00 0.00 176.35 175.71 1rqq s MET 1079N 2.74 3.61 0.44 1.98 -1.94 -1.26 -4.82 119.30 120.05 1rqq s MET 1079Ca 0.41 -2.27 0.31 0.00 -1.71 0.00 0.00 55.69 52.42 1rqq s MET 1079Cb -0.16 -4.57 1.43 0.00 2.01 0.00 0.00 34.83 33.54 1rqq s MET 1079CO 0.09 -1.43 1.62 0.00 -0.01 0.00 0.00 175.02 175.29 1rqq h ALA 1080N 8.07 2.77 -0.57 3.03 0.00 -1.84 0.19 119.26 130.91 1rqq h ALA 1080Ca 0.12 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1rqq h ALA 1080Cb 1.03 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1rqq h ALA 1080CO 0.85 -1.39 0.07 0.72 0.00 0.00 0.00 179.25 179.50 1rqq n HIS 1081N -4.67 2.02 -4.54 0.00 8.25 0.10 -4.89 115.22 111.49 1rqq n HIS 1081Ca 0.37 -0.89 0.00 0.00 -0.26 0.00 0.00 57.72 56.95 1rqq n HIS 1081Cb 1.44 -0.53 0.00 0.00 1.12 0.00 0.00 29.99 32.02 1rqq n HIS 1081CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rqq n GLY 1082N 0.24 0.98 3.83 -1.41 0.00 0.05 -4.58 105.19 104.30 1rqq n GLY 1082Ca 0.30 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 1rqq n GLY 1082CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1rqq s ASP 1083N -4.00 6.84 0.19 1.61 -4.77 -1.26 0.06 116.67 115.33 1rqq s ASP 1083Ca 0.00 1.60 -0.12 0.00 -3.30 0.00 0.00 52.55 50.73 1rqq s ASP 1083Cb 0.00 -2.51 0.13 0.00 -1.09 0.00 0.00 42.92 39.46 1rqq s ASP 1083CO 0.00 -0.39 1.84 0.25 0.70 0.00 0.00 175.17 177.56 1rqq h LEU 1084N 1.71 0.62 0.20 2.11 5.85 -0.37 -1.43 115.31 124.01 1rqq h LEU 1084Ca -0.48 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.25 1rqq h LEU 1084Cb 1.18 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 1rqq h LEU 1084CO 0.62 0.44 -0.30 0.50 -0.34 0.00 0.00 178.44 179.35 1rqq h LYS 1085N 0.75 -0.55 -1.00 1.25 3.64 -1.69 0.44 116.57 119.41 1rqq h LYS 1085Ca 0.24 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.76 1rqq h LYS 1085Cb -0.00 0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 31.86 1rqq h LYS 1085CO -0.09 -0.37 0.64 0.77 -2.27 0.00 0.00 179.45 178.13 1rqq h SER 1086N -0.57 0.96 -0.19 4.20 0.02 -1.84 -0.89 113.55 115.24 1rqq h SER 1086Ca 0.01 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1rqq h SER 1086Cb 0.56 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1rqq h SER 1086CO -0.12 0.55 0.03 0.22 -1.14 0.00 0.00 176.83 176.36 1rqq h TYR 1087N 1.05 0.33 -0.95 3.45 3.20 -0.27 -2.37 116.97 121.42 1rqq h TYR 1087Ca 0.48 -0.05 0.03 0.00 3.14 0.00 0.00 58.73 62.33 1rqq h TYR 1087Cb 0.39 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.51 1rqq h TYR 1087CO -0.00 0.47 0.62 -0.07 -1.64 0.00 0.00 178.16 177.54 1rqq h LEU 1088N 0.10 1.04 -1.21 2.82 3.38 0.62 -1.91 115.31 120.14 1rqq h LEU 1088Ca 0.06 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1rqq h LEU 1088Cb 0.32 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1rqq h LEU 1088CO 0.00 0.72 -0.36 0.03 0.09 0.00 0.00 178.44 178.92 1rqq h ARG 1089N 1.21 0.00 -0.04 1.13 3.08 -1.03 -2.04 114.38 116.69 1rqq h ARG 1089Ca 0.37 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.38 1rqq h ARG 1089Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1rqq h ARG 1089CO -0.11 0.36 -0.17 0.66 -1.07 0.00 0.00 179.97 179.64 1rqq h SER 1090N 0.00 0.06 0.80 7.04 4.64 -0.81 -2.03 113.55 123.25 1rqq h SER 1090Ca -0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1rqq h SER 1090Cb 0.73 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1rqq h SER 1090CO 0.05 0.24 0.00 0.18 -0.87 0.00 0.00 176.83 176.42 1rqq n LEU 1091N -4.31 0.00 -4.76 5.97 4.77 -0.77 -3.73 117.00 114.18 1rqq n LEU 1091Ca -0.02 0.50 -0.41 0.00 -0.03 0.00 0.00 56.01 56.05 1rqq n LEU 1091Cb 0.25 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.83 1rqq n LEU 1091CO 0.37 -0.10 1.22 -0.13 -1.33 0.00 0.00 177.39 177.41 1rqq s ARG 1092N -3.00 4.12 0.24 3.23 1.81 -0.76 -4.37 118.95 120.22 1rqq s ARG 1092Ca 0.11 2.57 -0.05 0.00 -1.72 0.00 0.00 55.73 56.65 1rqq s ARG 1092Cb 0.15 -3.01 0.39 0.00 -0.45 0.00 0.00 34.95 32.03 1rqq s ARG 1092CO 0.42 -0.60 1.80 -1.00 -0.68 0.00 0.00 175.30 175.24 1rqq h PRO 1093N 4.39 0.72 0.00 3.54 0.13 -1.89 -1.13 132.00 137.77 1rqq h PRO 1093Ca -0.48 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1rqq h PRO 1093Cb 1.22 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1rqq h PRO 1093CO 0.76 0.48 0.00 0.93 -0.23 0.00 0.00 178.00 179.93 1rqq h GLU 1094N 0.75 0.00 -6.08 0.86 3.07 -1.94 -3.46 114.58 107.78 1rqq h GLU 1094Ca 0.39 0.00 -0.80 0.00 -0.50 0.00 0.00 59.36 58.45 1rqq h GLU 1094Cb 0.37 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1rqq h GLU 1094CO -0.25 0.00 0.82 0.00 -1.40 0.00 0.00 179.01 178.18 1rqq n ALA 1095N -2.06 -0.69 0.04 3.43 0.00 -0.43 -4.83 120.51 115.98 1rqq n ALA 1095Ca 0.01 0.43 0.07 0.00 0.00 0.00 0.00 53.44 53.94 1rqq n ALA 1095Cb 0.29 -2.09 0.50 0.00 0.00 0.00 0.00 19.45 18.14 1rqq n ALA 1095CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1rqq h GLU 1096N 6.33 0.37 -0.61 0.00 3.07 -1.88 -0.85 114.58 121.00 1rqq h GLU 1096Ca -0.45 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.35 1rqq h GLU 1096Cb 1.34 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 29.14 1rqq h GLU 1096CO 0.97 0.25 0.05 0.27 -1.40 0.00 0.00 179.01 179.15 1rqq n ASN 1097N -4.49 5.59 -4.65 1.42 6.94 -1.26 -4.99 115.26 113.83 1rqq n ASN 1097Ca 0.03 -3.00 -0.51 0.00 -0.02 0.00 0.00 54.58 51.09 1rqq n ASN 1097Cb 0.14 -0.70 -0.05 0.00 -2.36 0.00 0.00 39.78 36.81 1rqq n ASN 1097CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1rqq n ASN 1098N 0.46 2.48 0.00 0.53 2.85 -0.33 -4.90 115.26 116.36 1rqq n ASN 1098Ca 0.31 1.08 0.00 0.00 -0.11 0.00 0.00 54.58 55.85 1rqq n ASN 1098Cb 1.24 -1.28 0.00 0.00 1.24 0.00 0.00 39.78 40.99 1rqq n ASN 1098CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1rqq n PRO 1099N 3.97 0.00 -0.62 1.20 -0.04 -1.26 -4.94 135.00 133.31 1rqq n PRO 1099Ca 0.20 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.64 1rqq n PRO 1099Cb 0.22 -0.28 -0.03 0.00 -0.04 0.00 0.00 33.50 33.37 1rqq n PRO 1099CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rqq n GLY 1100N 0.43 0.26 3.25 0.55 0.00 -1.26 -5.15 105.19 103.27 1rqq n GLY 1100Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1rqq n GLY 1100CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1rqq s ARG 1101N 0.00 1.23 0.86 1.61 1.70 -1.26 -5.17 118.95 117.92 1rqq s ARG 1101Ca 0.00 -1.64 -0.11 0.00 -0.47 0.00 0.00 55.73 53.52 1rqq s ARG 1101Cb 0.00 -0.05 0.19 0.00 -0.57 0.00 0.00 34.95 34.52 1rqq s ARG 1101CO 0.00 -0.28 1.18 -0.35 -1.08 0.00 0.00 175.30 174.76 1rqq n PRO 1102N -0.32 -0.86 -0.71 3.89 -0.04 -1.26 -4.93 135.00 130.77 1rqq n PRO 1102Ca -0.01 -2.21 -0.30 0.00 -0.04 0.00 0.00 63.50 60.93 1rqq n PRO 1102Cb 0.65 -1.09 0.18 0.00 -0.04 0.00 0.00 33.50 33.20 1rqq n PRO 1102CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1rqq s PRO 1103N -5.54 0.74 0.74 0.54 0.02 -1.26 -4.92 135.00 125.32 1rqq s PRO 1103Ca 0.70 1.39 -0.16 0.00 0.02 0.00 0.00 61.00 62.95 1rqq s PRO 1103Cb -0.02 -1.71 0.01 0.00 0.02 0.00 0.00 34.50 32.80 1rqq s PRO 1103CO 0.48 -2.77 0.92 -0.35 -0.33 0.00 0.00 177.00 174.96 1rqq n PRO 1104N -4.31 0.42 -3.14 5.54 -0.04 -1.26 -4.99 135.00 127.22 1rqq n PRO 1104Ca 0.10 0.20 -0.26 0.00 -0.04 0.00 0.00 63.50 63.50 1rqq n PRO 1104Cb 0.53 -2.19 -0.01 0.00 -0.04 0.00 0.00 33.50 31.78 1rqq n PRO 1104CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1rqq s THR 1105N -1.88 5.03 0.24 0.52 -4.23 -1.26 -4.87 115.64 109.18 1rqq s THR 1105Ca 0.72 -0.15 -0.08 0.00 -1.18 0.00 0.00 61.69 61.01 1rqq s THR 1105Cb -0.33 -3.84 0.25 0.00 1.34 0.00 0.00 72.50 69.92 1rqq s THR 1105CO 0.52 -0.60 1.65 0.25 -0.54 0.00 0.00 174.62 175.90 1rqq h LEU 1106N 0.78 -0.26 0.10 4.79 7.12 -1.99 0.42 115.31 126.27 1rqq h LEU 1106Ca -0.48 0.18 0.01 0.00 0.13 0.00 0.00 57.88 57.71 1rqq h LEU 1106Cb 1.21 0.30 -0.02 0.00 -0.53 0.00 0.00 40.66 41.62 1rqq h LEU 1106CO 0.62 -0.14 -0.13 -0.61 -0.13 0.00 0.00 178.44 178.06 1rqq h GLN 1107N 0.13 -0.25 -0.54 1.25 5.75 -1.97 -0.65 115.11 118.83 1rqq h GLN 1107Ca 0.39 0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.95 1rqq h GLN 1107Cb 0.67 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.25 1rqq h GLN 1107CO -0.60 -0.17 0.36 0.93 -2.65 0.00 0.00 178.83 176.70 1rqq h GLU 1108N -0.26 0.54 -0.19 1.69 5.08 -1.23 -1.56 114.58 118.64 1rqq h GLU 1108Ca 0.01 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 1rqq h GLU 1108Cb 0.27 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1rqq h GLU 1108CO -0.06 0.36 -0.31 0.52 -1.00 0.00 0.00 179.01 178.52 1rqq h MET 1109N 0.55 0.55 -0.53 2.33 2.86 0.26 -2.06 114.93 118.90 1rqq h MET 1109Ca 0.23 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1rqq h MET 1109Cb 0.20 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 1rqq h MET 1109CO -0.06 0.94 0.34 0.97 1.06 0.00 0.00 176.91 180.15 1rqq h ILE 1110N 0.21 1.14 -0.02 -1.22 2.10 -0.43 0.96 117.51 120.25 1rqq h ILE 1110Ca 0.02 -0.29 -0.00 0.00 1.08 0.00 0.00 64.86 65.67 1rqq h ILE 1110Cb 0.89 0.38 -0.00 0.00 -1.09 0.00 0.00 36.82 37.00 1rqq h ILE 1110CO 0.07 0.14 0.01 -0.61 -1.08 0.00 0.00 178.15 176.68 1rqq h GLN 1111N 0.72 0.04 -0.22 2.19 5.75 -1.15 -0.13 115.11 122.31 1rqq h GLN 1111Ca 0.19 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.71 1rqq h GLN 1111Cb -0.06 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 1rqq h GLN 1111CO -0.04 0.20 0.08 0.52 -2.65 0.00 0.00 178.83 176.94 1rqq h MET 1112N -0.13 0.18 -0.34 1.69 2.86 -0.70 -0.54 114.93 117.95 1rqq h MET 1112Ca 0.01 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.68 1rqq h MET 1112Cb 0.18 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.75 1rqq h MET 1112CO -0.00 0.12 0.07 0.00 1.06 0.00 0.00 176.91 178.16 1rqq h ALA 1113N 1.13 0.36 -0.61 6.32 0.00 -0.64 0.14 119.26 125.96 1rqq h ALA 1113Ca 0.10 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1rqq h ALA 1113Cb 0.06 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1rqq h ALA 1113CO -0.09 -0.33 0.00 0.00 0.00 0.00 0.00 179.25 178.83 1rqq h ALA 1114N 1.25 0.84 -0.49 0.00 0.00 -0.83 0.12 119.26 120.15 1rqq h ALA 1114Ca 0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1rqq h ALA 1114Cb 0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1rqq h ALA 1114CO -0.20 0.67 0.25 0.93 0.00 0.00 0.00 179.25 180.90 1rqq h GLU 1115N 0.99 0.70 -0.20 0.00 5.08 -0.51 0.36 114.58 121.00 1rqq h GLU 1115Ca 0.17 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1rqq h GLU 1115Cb 0.56 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1rqq h GLU 1115CO 0.03 0.57 -0.03 0.82 -1.00 0.00 0.00 179.01 179.41 1rqq h ILE 1116N 0.65 1.27 -0.72 3.13 2.04 -0.56 -2.12 117.51 121.20 1rqq h ILE 1116Ca 0.17 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 1rqq h ILE 1116Cb 0.09 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 1rqq h ILE 1116CO -0.02 0.29 0.41 0.00 0.00 0.00 0.00 178.15 178.83 1rqq h ALA 1117N 0.75 1.36 -0.53 1.87 0.00 -0.48 -1.67 119.26 120.57 1rqq h ALA 1117Ca 0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1rqq h ALA 1117Cb 0.45 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1rqq h ALA 1117CO 0.02 0.53 0.17 0.22 0.00 0.00 0.00 179.25 180.19 1rqq h ASP 1118N 1.00 0.76 -0.74 0.00 3.58 -0.15 -0.66 116.42 120.22 1rqq h ASP 1118Ca 0.26 -0.20 -0.02 0.00 0.42 0.00 0.00 57.03 57.49 1rqq h ASP 1118Cb -0.00 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 40.81 1rqq h ASP 1118CO -0.04 0.76 0.39 1.23 -2.88 0.00 0.00 179.24 178.69 1rqq h GLY 1119N 0.72 1.13 1.41 -0.78 0.00 -0.73 -2.25 103.07 102.58 1rqq h GLY 1119Ca 0.17 -0.52 -0.16 0.00 0.00 0.00 0.00 47.33 46.81 1rqq h GLY 1119CO -0.01 0.50 -0.54 -0.33 0.00 0.00 0.00 176.54 176.17 1rqq h MET 1120N 1.06 0.62 -0.64 4.80 2.86 -1.05 -2.34 114.93 120.25 1rqq h MET 1120Ca 0.26 -0.39 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1rqq h MET 1120Cb 0.06 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 1rqq h MET 1120CO -0.04 1.00 0.35 0.00 1.06 0.00 0.00 176.91 179.29 1rqq h ALA 1121N 0.92 0.82 0.20 6.32 0.00 -0.75 0.16 119.26 126.94 1rqq h ALA 1121Ca 0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1rqq h ALA 1121Cb 1.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1rqq h ALA 1121CO 0.11 0.34 -0.16 -0.92 0.00 0.00 0.00 179.25 178.61 1rqq h TYR 1122N 0.88 -0.43 -0.46 0.00 3.20 -1.29 0.31 116.97 119.18 1rqq h TYR 1122Ca 0.23 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.19 1rqq h TYR 1122Cb 0.04 0.16 -0.10 0.00 1.54 0.00 0.00 36.73 38.37 1rqq h TYR 1122CO -0.01 -0.25 -0.30 -0.07 -1.64 0.00 0.00 178.16 175.89 1rqq h LEU 1123N -0.38 -1.02 -0.37 2.82 4.07 -0.81 0.58 115.31 120.20 1rqq h LEU 1123Ca -0.01 0.19 0.02 0.00 0.08 0.00 0.00 57.88 58.16 1rqq h LEU 1123Cb 0.34 0.50 -0.03 0.00 1.08 0.00 0.00 40.66 42.55 1rqq h LEU 1123CO -0.02 -0.30 0.21 -1.13 -1.08 0.00 0.00 178.44 176.12 1rqq h ASN 1124N -0.20 0.33 -0.89 -0.43 -0.73 -0.35 -1.49 115.58 111.82 1rqq h ASN 1124Ca 0.20 0.01 0.13 0.00 1.87 0.00 0.00 56.30 58.51 1rqq h ASN 1124Cb 0.53 -0.06 -0.07 0.00 0.27 0.00 0.00 38.32 38.98 1rqq h ASN 1124CO -0.57 0.24 0.57 0.00 -0.37 0.00 0.00 177.43 177.30 1rqq h ALA 1125N 1.17 1.80 -0.01 1.57 0.00 0.96 0.52 119.26 125.27 1rqq h ALA 1125Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1rqq h ALA 1125Cb 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1rqq h ALA 1125CO -0.08 -0.03 0.00 1.63 0.00 0.00 0.00 179.25 180.77 1rqq n LYS 1126N -4.56 1.03 -2.93 0.00 4.76 0.07 -4.90 118.16 111.63 1rqq n LYS 1126Ca 0.17 -0.05 -0.11 0.00 -2.87 0.00 0.00 58.31 55.45 1rqq n LYS 1126Cb 0.44 -1.34 0.06 0.00 -1.84 0.00 0.00 35.03 32.35 1rqq n LYS 1126CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1rqq n LYS 1127N -0.78 -4.30 -4.34 1.97 4.76 0.18 -4.93 118.16 110.72 1rqq n LYS 1127Ca 0.16 0.55 -0.19 0.00 -2.87 0.00 0.00 58.31 55.96 1rqq n LYS 1127Cb 0.09 -4.66 -0.13 0.00 -1.84 0.00 0.00 35.03 28.48 1rqq n LYS 1127CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1rqq s PHE 1128N -3.23 1.09 -0.13 2.13 0.08 -0.88 -0.84 117.98 116.20 1rqq s PHE 1128Ca 0.02 -0.32 -0.00 0.00 0.12 0.00 0.00 56.93 56.74 1rqq s PHE 1128Cb -0.01 -0.66 -0.01 0.00 -0.57 0.00 0.00 43.02 41.77 1rqq s PHE 1128CO 0.47 0.01 -0.13 0.54 -0.10 0.00 0.00 175.22 176.01 1rqq s VAL 1129N -0.75 3.03 0.07 -0.44 0.11 -0.28 -3.77 120.40 118.38 1rqq s VAL 1129Ca 0.01 -0.66 -0.16 0.00 -2.93 0.00 0.00 61.98 58.23 1rqq s VAL 1129Cb -0.07 -2.28 -0.12 0.00 -1.53 0.00 0.00 36.38 32.38 1rqq s VAL 1129CO 0.01 0.52 1.35 -0.74 -3.33 0.00 0.00 175.10 172.90 1rqq h HIS 1130N 6.79 0.76 0.00 1.54 2.76 -1.90 -1.18 115.15 123.92 1rqq h HIS 1130Ca -0.27 -0.27 0.00 0.00 -2.20 0.00 0.00 60.37 57.64 1rqq h HIS 1130Cb 1.21 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 30.03 1rqq h HIS 1130CO 0.51 1.01 0.00 0.54 -1.30 0.00 0.00 177.93 178.69 1rqq n ARG 1131N -4.27 0.00 -2.74 5.26 1.74 -1.26 -3.00 116.66 112.38 1rqq n ARG 1131Ca -0.06 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.98 1rqq n ARG 1131Cb 0.51 -2.66 0.04 0.00 -1.02 0.00 0.00 32.46 29.34 1rqq n ARG 1131CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1rqq n ASP 1132N 0.00 1.43 -4.70 0.55 2.03 -1.26 -4.85 116.55 109.75 1rqq n ASP 1132Ca 0.00 -2.38 -0.42 0.00 0.52 0.00 0.00 54.79 52.51 1rqq n ASP 1132Cb 0.00 -0.47 -0.03 0.00 -0.72 0.00 0.00 41.12 39.90 1rqq n ASP 1132CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1rqq s LEU 1133N -3.45 4.32 -0.05 -2.67 2.96 -1.26 -4.80 118.68 113.72 1rqq s LEU 1133Ca 0.27 1.91 -0.30 0.00 -0.22 0.00 0.00 54.13 55.79 1rqq s LEU 1133Cb 0.39 -3.57 0.11 0.00 0.50 0.00 0.00 46.19 43.63 1rqq s LEU 1133CO -0.00 -0.55 0.95 0.00 -1.32 0.00 0.00 176.35 175.43 1rqq s ALA 1134N 1.80 -1.87 0.39 5.97 0.00 -1.26 -4.72 121.76 122.07 1rqq s ALA 1134Ca 0.57 1.17 0.11 0.00 0.00 0.00 0.00 51.96 53.82 1rqq s ALA 1134Cb -0.27 0.21 0.91 0.00 0.00 0.00 0.00 23.12 23.98 1rqq s ALA 1134CO 0.25 -0.63 1.92 0.00 0.00 0.00 0.00 175.76 177.30 1rqq h ALA 1135N 2.06 1.93 0.00 0.00 0.00 -1.93 0.56 119.26 121.88 1rqq h ALA 1135Ca -0.20 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1rqq h ALA 1135Cb 1.22 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1rqq h ALA 1135CO 0.30 -0.12 -0.10 0.07 0.00 0.00 0.00 179.25 179.40 1rqq h ARG 1136N 0.57 0.00 -0.54 0.00 0.11 -1.95 -2.25 114.38 110.32 1rqq h ARG 1136Ca 0.37 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.45 1rqq h ARG 1136Cb 0.65 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.73 1rqq h ARG 1136CO -0.14 0.10 0.00 0.09 0.10 0.00 0.00 179.97 180.12 1rqq n ASN 1137N -3.38 3.69 -4.79 0.08 3.02 0.16 -4.73 115.26 109.32 1rqq n ASN 1137Ca -0.01 -2.00 -0.36 0.00 -0.03 0.00 0.00 54.58 52.18 1rqq n ASN 1137Cb 0.27 -0.35 -0.07 0.00 -0.61 0.00 0.00 39.78 39.01 1rqq n ASN 1137CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rqq s MET 1139N -0.56 2.04 -0.16 0.00 -1.94 0.84 0.01 119.30 119.53 1rqq s MET 1139Ca 0.12 -1.27 -0.00 0.00 -1.71 0.00 0.00 55.69 52.82 1rqq s MET 1139Cb -0.12 -2.15 -0.00 0.00 2.01 0.00 0.00 34.83 34.57 1rqq s MET 1139CO 0.02 0.44 -0.14 0.08 -0.01 0.00 0.00 175.02 175.41 1rqq s VAL 1140N -1.69 2.78 0.85 -6.03 1.01 0.11 -0.65 120.40 116.79 1rqq s VAL 1140Ca 0.25 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 1rqq s VAL 1140Cb -0.09 -2.19 0.10 0.00 0.00 0.00 0.00 36.38 34.21 1rqq s VAL 1140CO 0.15 0.50 1.13 0.00 0.00 0.00 0.00 175.10 176.88 1rqq s ALA 1141N 0.87 2.06 0.58 5.51 0.00 -0.03 -0.72 121.76 130.03 1rqq s ALA 1141Ca -0.04 -0.42 0.28 0.00 0.00 0.00 0.00 51.96 51.78 1rqq s ALA 1141Cb -0.15 -3.05 1.65 0.00 0.00 0.00 0.00 23.12 21.56 1rqq s ALA 1141CO -0.01 -1.99 2.13 1.12 0.00 0.00 0.00 175.76 177.01 1rqq h HIS 1142N -1.28 0.00 -0.53 0.00 2.07 -1.89 0.32 115.15 113.83 1rqq h HIS 1142Ca -0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 1rqq h HIS 1142Cb 1.31 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.29 1rqq h HIS 1142CO 0.36 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 174.82 1rqq n ASP 1143N -3.90 3.44 -0.19 3.10 5.68 -1.26 -4.94 116.55 118.48 1rqq n ASP 1143Ca 0.01 -1.98 -0.02 0.00 -0.50 0.00 0.00 54.79 52.29 1rqq n ASP 1143Cb 0.28 -0.35 -0.01 0.00 -1.14 0.00 0.00 41.12 39.90 1rqq n ASP 1143CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1rqq n PHE 1144N 1.42 0.00 -2.42 2.11 3.72 0.11 -5.01 117.46 117.38 1rqq n PHE 1144Ca 0.21 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.20 1rqq n PHE 1144Cb 0.57 -0.81 -0.03 0.00 -0.94 0.00 0.00 39.48 38.27 1rqq n PHE 1144CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1rqq s THR 1145N -2.01 3.79 -0.03 4.37 2.01 -1.26 -4.68 115.64 117.83 1rqq s THR 1145Ca 0.00 1.44 -0.13 0.00 0.31 0.00 0.00 61.69 63.31 1rqq s THR 1145Cb 0.00 -3.92 -0.05 0.00 0.01 0.00 0.00 72.50 68.54 1rqq s THR 1145CO 0.00 0.20 0.34 -0.69 -0.69 0.00 0.00 174.62 173.78 1rqq s VAL 1146N 0.26 5.15 0.05 3.82 1.01 -1.26 -0.85 120.40 128.59 1rqq s VAL 1146Ca 0.54 0.67 0.01 0.00 0.00 0.00 0.00 61.98 63.20 1rqq s VAL 1146Cb -0.31 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1rqq s VAL 1146CO 0.34 0.58 -0.06 -0.54 0.00 0.00 0.00 175.10 175.42 1rqq s LYS 1147N -1.10 0.59 0.14 2.72 1.02 0.17 -4.52 119.74 118.77 1rqq s LYS 1147Ca 0.22 -0.95 -0.30 0.00 0.02 0.00 0.00 55.97 54.96 1rqq s LYS 1147Cb -0.15 -0.15 -0.07 0.00 -0.52 0.00 0.00 37.83 36.94 1rqq s LYS 1147CO 0.11 -0.00 1.04 0.42 -0.92 0.00 0.00 175.35 176.00 1rqq s ILE 1148N -2.29 4.18 0.08 2.17 -1.09 -0.34 -0.11 121.20 123.79 1rqq s ILE 1148Ca -0.03 1.83 0.02 0.00 -2.23 0.00 0.00 60.65 60.24 1rqq s ILE 1148Cb -0.04 -4.17 -0.01 0.00 -1.58 0.00 0.00 42.46 36.66 1rqq s ILE 1148CO -0.02 0.29 0.06 0.61 -1.23 0.00 0.00 174.94 174.65 1rqq n GLY 1149N 2.18 3.79 2.98 6.18 0.00 -0.30 -0.85 105.19 119.17 1rqq n GLY 1149Ca 0.03 -1.73 -0.04 0.00 0.00 0.00 0.00 46.02 44.27 1rqq n GLY 1149CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rqq n ASP 1150N -2.65 -7.27 -1.90 1.61 -0.08 -1.26 -4.81 116.55 100.20 1rqq n ASP 1150Ca 0.01 0.82 -0.09 0.00 -1.51 0.00 0.00 54.79 54.02 1rqq n ASP 1150Cb 0.13 -3.62 0.26 0.00 2.34 0.00 0.00 41.12 40.23 1rqq n ASP 1150CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1rqq n PHE 1151N 0.75 2.38 -0.23 -0.67 3.72 -1.26 -4.65 117.46 117.49 1rqq n PHE 1151Ca 0.00 -1.39 -0.02 0.00 -0.05 0.00 0.00 57.45 55.99 1rqq n PHE 1151Cb 0.29 -0.71 0.09 0.00 -0.94 0.00 0.00 39.48 38.21 1rqq n PHE 1151CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1rqq h GLY 1152N 2.02 0.98 -0.91 1.37 0.00 -1.91 -2.61 103.07 102.00 1rqq h GLY 1152Ca 0.34 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1rqq h GLY 1152CO 0.77 0.19 0.00 1.03 0.00 0.00 0.00 176.54 178.53 1rqq n MET 1153N -4.75 1.86 -1.91 4.80 2.81 -1.26 -4.63 117.12 114.03 1rqq n MET 1153Ca 0.08 -1.26 -0.39 0.00 -1.81 0.00 0.00 57.70 54.32 1rqq n MET 1153Cb 0.15 -1.47 0.01 0.00 -0.71 0.00 0.00 33.22 31.20 1rqq n MET 1153CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1rqq s THR 1154N -1.98 2.33 0.03 2.03 2.01 -0.98 -4.63 115.64 114.44 1rqq s THR 1154Ca 0.35 0.28 0.02 0.00 0.31 0.00 0.00 61.69 62.65 1rqq s THR 1154Cb 0.21 -3.15 -0.02 0.00 0.01 0.00 0.00 72.50 69.54 1rqq s THR 1154CO 0.32 0.02 -0.07 -0.13 -0.69 0.00 0.00 174.62 174.07 1rqq s ARG 1155N -2.54 0.51 -0.14 4.92 1.81 -0.45 -4.98 118.95 118.09 1rqq s ARG 1155Ca 0.63 -0.60 -0.29 0.00 -1.72 0.00 0.00 55.73 53.75 1rqq s ARG 1155Cb -0.40 -0.35 -0.01 0.00 -0.45 0.00 0.00 34.95 33.74 1rqq s ARG 1155CO 0.50 0.08 1.02 0.34 -0.68 0.00 0.00 175.30 176.55 1rqq s ASP 1156N -1.15 7.21 -0.32 0.23 2.15 -1.26 -1.13 116.67 122.40 1rqq s ASP 1156Ca -0.06 1.50 0.03 0.00 0.43 0.00 0.00 52.55 54.44 1rqq s ASP 1156Cb -0.08 -2.55 0.09 0.00 -0.30 0.00 0.00 42.92 40.08 1rqq s ASP 1156CO 0.00 -0.50 0.04 0.27 -0.17 0.00 0.00 175.17 174.81 1rqq s ILE 1157N 2.31 1.93 0.00 4.11 -4.36 -0.02 -4.96 121.20 120.22 1rqq s ILE 1157Ca 0.47 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.86 1rqq s ILE 1157Cb -0.18 -2.38 0.00 0.00 1.25 0.00 0.00 42.46 41.16 1rqq s ILE 1157CO 0.15 -0.52 0.00 -0.62 0.24 0.00 0.00 174.94 174.19 1rqq n GLU 1159N 4.42 0.00 0.00 0.37 1.02 -1.26 -0.25 120.64 124.93 1rqq n GLU 1159Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1rqq n GLU 1159Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.84 1rqq n GLU 1159CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1rqq n THR 1160N 0.00 0.00 -1.01 2.62 -2.24 -1.26 -5.32 114.28 107.07 1rqq n THR 1160Ca 0.00 -0.27 -0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1rqq n THR 1160Cb 0.00 0.94 -0.00 0.00 -2.10 0.00 0.00 70.33 69.17 1rqq n THR 1160CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1rqq n ASP 1161N -0.61 -3.16 -3.28 3.42 9.92 0.65 -5.21 116.55 118.28 1rqq n ASP 1161Ca 0.00 0.01 0.03 0.00 -0.53 0.00 0.00 54.79 54.30 1rqq n ASP 1161Cb 0.00 -0.69 -0.03 0.00 -0.64 0.00 0.00 41.12 39.76 1rqq n ASP 1161CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1rqq s ARG 1164N -0.55 0.21 -0.22 -1.24 3.52 -1.26 -4.60 118.95 114.81 1rqq s ARG 1164Ca 0.00 0.49 -0.13 0.00 -0.13 0.00 0.00 55.73 55.96 1rqq s ARG 1164Cb 0.00 0.29 -0.04 0.00 -1.56 0.00 0.00 34.95 33.63 1rqq s ARG 1164CO 0.00 -0.12 0.27 0.21 -0.81 0.00 0.00 175.30 174.85 1rqq s LYS 1165N 2.52 4.12 -0.24 5.12 2.20 -0.02 -4.97 119.74 128.46 1rqq s LYS 1165Ca -0.01 -0.05 -0.02 0.00 -0.36 0.00 0.00 55.97 55.52 1rqq s LYS 1165Cb -0.06 -3.54 -0.18 0.00 -1.51 0.00 0.00 37.83 32.54 1rqq s LYS 1165CO -0.15 0.01 -0.15 0.41 -0.36 0.00 0.00 175.35 175.11 1rqq n GLY 1166N 4.13 -0.41 3.41 5.54 0.00 -1.26 -4.57 105.19 112.02 1rqq n GLY 1166Ca -0.12 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 1rqq n GLY 1166CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rqq n GLY 1167N 2.06 -1.46 3.77 -0.02 0.00 -1.26 -5.05 105.19 103.22 1rqq n GLY 1167Ca -0.45 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 43.57 1rqq n GLY 1167CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rqq s LYS 1168N -5.57 1.80 0.00 1.61 0.00 -1.26 -5.06 119.74 111.27 1rqq s LYS 1168Ca 0.67 0.73 0.00 0.00 0.00 0.00 0.00 55.97 57.36 1rqq s LYS 1168Cb -0.02 -1.88 0.00 0.00 0.00 0.00 0.00 37.83 35.93 1rqq s LYS 1168CO 0.47 -1.84 0.00 0.41 0.00 0.00 0.00 175.35 174.38 1rqq n GLY 1169N -1.71 1.37 3.62 0.59 0.00 -1.26 -5.11 105.19 102.70 1rqq n GLY 1169Ca 0.07 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 1rqq n GLY 1169CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rqq s LEU 1170N 0.00 3.81 0.05 0.99 1.43 -1.26 -5.01 118.68 118.69 1rqq s LEU 1170Ca 0.00 0.87 0.09 0.00 -1.03 0.00 0.00 54.13 54.06 1rqq s LEU 1170Cb 0.00 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 1rqq s LEU 1170CO 0.00 -1.06 -0.26 -0.76 0.23 0.00 0.00 176.35 174.50 1rqq s LEU 1171N 4.12 2.20 -1.53 1.79 1.43 -1.26 -5.04 118.68 120.39 1rqq s LEU 1171Ca 0.49 -0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 52.87 1rqq s LEU 1171Cb -0.11 -1.29 -0.02 0.00 0.03 0.00 0.00 46.19 44.80 1rqq s LEU 1171CO 0.23 0.25 2.63 -0.81 0.23 0.00 0.00 176.35 178.88 1rqq n PRO 1172N 1.66 3.50 -0.35 1.29 -0.04 -1.26 -4.83 135.00 134.97 1rqq n PRO 1172Ca -0.17 -2.49 0.10 0.00 -0.04 0.00 0.00 63.50 60.89 1rqq n PRO 1172Cb 0.52 -2.95 0.20 0.00 -0.04 0.00 0.00 33.50 31.23 1rqq n PRO 1172CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1rqq n VAL 1173N 3.91 -0.41 0.22 0.52 0.31 -1.26 -0.96 118.33 120.66 1rqq n VAL 1173Ca 0.67 2.21 0.12 0.00 -0.01 0.00 0.00 64.34 67.33 1rqq n VAL 1173Cb 0.29 -3.13 0.61 0.00 -0.91 0.00 0.00 33.84 30.70 1rqq n VAL 1173CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1rqq h ARG 1174N 0.00 0.00 -0.01 5.55 3.08 -1.96 -1.46 114.38 119.58 1rqq h ARG 1174Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.57 1rqq h ARG 1174Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1rqq h ARG 1174CO -0.97 0.00 -0.06 0.91 -1.07 0.00 0.00 179.97 178.78 1rqq n TRP 1175N -2.32 0.00 -3.02 3.04 8.01 -0.13 -4.97 117.44 118.05 1rqq n TRP 1175Ca -0.01 0.00 -0.36 0.00 -1.31 0.00 0.00 57.50 55.82 1rqq n TRP 1175Cb 0.08 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.32 1rqq n TRP 1175CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 1rqq s MET 1176N -1.11 4.33 0.73 -0.99 -1.94 -0.55 -3.69 119.30 116.08 1rqq s MET 1176Ca 0.13 0.98 -0.11 0.00 -1.71 0.00 0.00 55.69 54.98 1rqq s MET 1176Cb 0.10 -2.84 0.03 0.00 2.01 0.00 0.00 34.83 34.13 1rqq s MET 1176CO 0.18 0.35 1.07 0.00 -0.01 0.00 0.00 175.02 176.62 1rqq s ALA 1177N -1.57 2.55 0.10 3.03 0.00 -1.26 -4.88 121.76 119.73 1rqq s ALA 1177Ca 0.45 -0.04 -0.24 0.00 0.00 0.00 0.00 51.96 52.14 1rqq s ALA 1177Cb -0.17 -3.14 -0.10 0.00 0.00 0.00 0.00 23.12 19.71 1rqq s ALA 1177CO 0.21 -1.38 1.70 -1.00 0.00 0.00 0.00 175.76 175.29 1rqq h PRO 1178N -0.84 -0.17 -0.08 0.00 0.13 -1.91 -2.27 132.00 126.87 1rqq h PRO 1178Ca -0.45 0.01 0.02 0.00 -0.87 0.00 0.00 66.00 64.72 1rqq h PRO 1178Cb 1.23 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1rqq h PRO 1178CO 0.58 -0.11 0.07 1.05 -0.23 0.00 0.00 178.00 179.36 1rqq h GLU 1179N -0.18 0.00 -0.02 0.86 9.09 -1.90 0.00 114.58 122.43 1rqq h GLU 1179Ca 0.03 0.00 -0.26 0.00 0.05 0.00 0.00 59.36 59.18 1rqq h GLU 1179Cb 0.21 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.33 1rqq h GLU 1179CO -0.08 0.00 -1.01 0.77 0.05 0.00 0.00 179.01 178.74 1rqq h SER 1180N 0.00 0.90 -0.42 3.06 0.02 -1.53 0.83 113.55 116.40 1rqq h SER 1180Ca 0.04 -0.70 -0.11 0.00 -0.84 0.00 0.00 61.79 60.18 1rqq h SER 1180Cb 0.19 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1rqq h SER 1180CO -0.00 1.50 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.98 1rqq h LEU 1181N 0.41 0.90 0.07 5.07 3.38 -0.70 0.11 115.31 124.54 1rqq h LEU 1181Ca -0.12 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 1rqq h LEU 1181Cb 1.66 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1rqq h LEU 1181CO 0.20 1.04 -0.03 0.50 0.09 0.00 0.00 178.44 180.24 1rqq h LYS 1182N 0.80 -0.09 -0.01 1.13 3.64 -1.05 -3.40 116.57 117.59 1rqq h LYS 1182Ca 0.12 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1rqq h LYS 1182Cb 0.68 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1rqq h LYS 1182CO 0.05 0.35 -0.60 -0.25 -2.27 0.00 0.00 179.45 176.73 1rqq n ASP 1183N -4.79 1.28 -0.73 4.20 8.00 0.28 -4.98 116.55 119.81 1rqq n ASP 1183Ca -0.06 -1.14 -0.08 0.00 0.71 0.00 0.00 54.79 54.23 1rqq n ASP 1183Cb 0.23 0.74 -0.02 0.00 -0.02 0.00 0.00 41.12 42.05 1rqq n ASP 1183CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rqq n GLY 1184N 1.32 0.53 3.68 0.44 0.00 0.38 -4.72 105.19 106.82 1rqq n GLY 1184Ca 0.05 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 1rqq n GLY 1184CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rqq s VAL 1185N -2.33 5.25 -0.04 1.61 1.01 -1.24 -0.84 120.40 123.80 1rqq s VAL 1185Ca 0.00 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.18 1rqq s VAL 1185Cb 0.00 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 1rqq s VAL 1185CO 0.00 0.41 -0.24 -0.36 0.00 0.00 0.00 175.10 174.91 1rqq s PHE 1186N 0.64 2.42 0.33 5.22 0.40 -1.26 -3.70 117.98 122.02 1rqq s PHE 1186Ca 0.07 -0.54 0.02 0.00 -0.60 0.00 0.00 56.93 55.88 1rqq s PHE 1186Cb -0.12 -1.56 -0.01 0.00 0.51 0.00 0.00 43.02 41.84 1rqq s PHE 1186CO 0.01 -0.10 0.39 0.25 0.70 0.00 0.00 175.22 176.47 1rqq n THR 1187N 2.66 0.00 0.25 0.64 -2.24 -1.26 -4.82 114.28 109.52 1rqq n THR 1187Ca -0.17 -1.99 0.11 0.00 -2.27 0.00 0.00 64.05 59.73 1rqq n THR 1187Cb 0.52 1.11 0.67 0.00 -2.10 0.00 0.00 70.33 70.52 1rqq n THR 1187CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rqq h THR 1188N 2.00 0.71 -0.38 4.28 1.03 -1.92 -1.94 112.91 116.70 1rqq h THR 1188Ca -0.25 -0.58 -0.12 0.00 -0.01 0.00 0.00 66.41 65.46 1rqq h THR 1188Cb 1.15 1.36 -0.01 0.00 -1.07 0.00 0.00 68.15 69.58 1rqq h THR 1188CO 0.35 0.14 -0.24 0.28 -0.01 0.00 0.00 175.52 176.03 1rqq h SER 1189N 0.00 0.77 0.13 0.00 0.02 -1.92 -1.08 113.55 111.47 1rqq h SER 1189Ca -0.00 -0.28 -0.13 0.00 -0.84 0.00 0.00 61.79 60.53 1rqq h SER 1189Cb 0.34 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1rqq h SER 1189CO 0.02 0.99 -0.46 0.77 -1.14 0.00 0.00 176.83 177.01 1rqq h SER 1190N 0.66 0.42 -0.54 3.07 4.64 -1.74 -2.34 113.55 117.72 1rqq h SER 1190Ca 0.09 -0.20 -0.03 0.00 -0.47 0.00 0.00 61.79 61.18 1rqq h SER 1190Cb 0.75 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.70 1rqq h SER 1190CO 0.06 0.82 0.25 0.44 -0.87 0.00 0.00 176.83 177.53 1rqq h ASP 1191N 0.32 0.75 -0.35 4.97 3.32 -0.99 -2.12 116.42 122.32 1rqq h ASP 1191Ca 0.02 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 1rqq h ASP 1191Cb 0.93 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 1rqq h ASP 1191CO 0.08 0.66 0.04 -0.03 -1.72 0.00 0.00 179.24 178.27 1rqq h MET 1192N 0.82 0.69 -0.26 3.56 4.05 -0.71 0.31 114.93 123.39 1rqq h MET 1192Ca 0.20 -0.16 -0.02 0.00 -0.28 0.00 0.00 59.70 59.44 1rqq h MET 1192Cb 0.14 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.83 1rqq h MET 1192CO -0.02 0.68 0.08 2.35 0.23 0.00 0.00 176.91 180.24 1rqq h TRP 1193N 0.66 0.42 -0.88 1.39 2.91 -0.90 -1.42 115.95 118.13 1rqq h TRP 1193Ca 0.14 -0.04 0.05 0.00 1.13 0.00 0.00 58.89 60.17 1rqq h TRP 1193Cb 0.36 -0.12 -0.05 0.00 -0.51 0.00 0.00 29.16 28.83 1rqq h TRP 1193CO 0.02 0.45 0.57 0.77 -1.03 0.00 0.00 178.44 179.22 1rqq h SER 1194N 0.26 0.91 -0.74 2.65 0.02 -0.80 -1.17 113.55 114.68 1rqq h SER 1194Ca 0.08 -0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1rqq h SER 1194Cb 0.23 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 1rqq h SER 1194CO -0.00 0.60 0.48 0.15 -1.14 0.00 0.00 176.83 176.92 1rqq h PHE 1195N 1.04 0.90 -0.91 3.45 3.57 -0.37 0.08 116.94 124.71 1rqq h PHE 1195Ca 0.36 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.90 1rqq h PHE 1195Cb 0.12 -0.30 -0.05 0.00 2.79 0.00 0.00 35.95 38.51 1rqq h PHE 1195CO -0.00 0.54 0.60 0.78 -2.23 0.00 0.00 178.31 178.00 1rqq h GLY 1196N 0.95 1.28 1.81 2.40 0.00 -0.17 -0.94 103.07 108.42 1rqq h GLY 1196Ca 0.28 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 47.05 1rqq h GLY 1196CO -0.09 0.45 -0.38 -2.08 0.00 0.00 0.00 176.54 174.45 1rqq h VAL 1197N 1.21 1.29 -0.39 4.60 2.07 -0.56 -2.06 116.25 122.41 1rqq h VAL 1197Ca 0.34 -1.42 -0.12 0.00 0.82 0.00 0.00 66.70 66.32 1rqq h VAL 1197Cb -0.11 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1rqq h VAL 1197CO -0.08 0.42 -0.22 0.58 0.02 0.00 0.00 177.57 178.29 1rqq h VAL 1198N 0.18 1.28 -0.66 2.57 2.07 0.14 0.32 116.25 122.15 1rqq h VAL 1198Ca 0.02 -1.37 0.07 0.00 0.82 0.00 0.00 66.70 66.24 1rqq h VAL 1198Cb 0.75 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.79 1rqq h VAL 1198CO 0.06 0.46 0.34 -0.07 0.02 0.00 0.00 177.57 178.38 1rqq h LEU 1199N 0.64 0.48 -0.71 2.57 3.38 -0.83 0.39 115.31 121.23 1rqq h LEU 1199Ca 0.08 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1rqq h LEU 1199Cb 0.79 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1rqq h LEU 1199CO 0.06 0.30 0.33 -0.25 0.09 0.00 0.00 178.44 178.98 1rqq h TRP 1200N 0.62 1.04 -0.40 1.13 7.01 -1.12 0.36 115.95 124.59 1rqq h TRP 1200Ca 0.31 -0.06 0.03 0.00 2.11 0.00 0.00 58.89 61.28 1rqq h TRP 1200Cb 0.26 -0.32 -0.03 0.00 -2.10 0.00 0.00 29.16 26.97 1rqq h TRP 1200CO -0.10 0.77 0.21 0.93 -2.79 0.00 0.00 178.44 177.47 1rqq h GLU 1201N 1.00 0.41 0.15 2.65 5.08 0.14 -1.22 114.58 122.79 1rqq h GLU 1201Ca 0.24 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1rqq h GLU 1201Cb 0.13 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1rqq h GLU 1201CO -0.03 0.27 -0.11 0.82 -1.00 0.00 0.00 179.01 178.97 1rqq h ILE 1202N 0.43 0.77 0.00 3.13 2.04 0.36 0.50 117.51 124.74 1rqq h ILE 1202Ca 0.16 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.02 1rqq h ILE 1202Cb 0.05 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1rqq h ILE 1202CO -0.10 0.00 0.00 0.35 0.00 0.00 0.00 178.15 178.40 1rqq n THR 1203N -5.22 0.06 -0.14 -0.27 -2.24 0.05 -2.29 114.28 104.23 1rqq n THR 1203Ca -0.08 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1rqq n THR 1203Cb 0.14 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 1rqq n THR 1203CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1rqq n SER 1204N -1.05 1.49 -3.49 3.42 3.41 -0.48 -4.63 113.62 112.29 1rqq n SER 1204Ca 0.15 -1.63 -0.21 0.00 -0.26 0.00 0.00 58.87 56.92 1rqq n SER 1204Cb 0.09 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.10 1rqq n SER 1204CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1rqq n LEU 1205N -0.32 -4.11 -3.67 1.04 4.77 -0.38 -3.08 117.00 111.24 1rqq n LEU 1205Ca 0.00 -0.80 -0.25 0.00 -0.03 0.00 0.00 56.01 54.93 1rqq n LEU 1205Cb 0.22 -2.86 0.06 0.00 -2.33 0.00 0.00 43.42 38.51 1rqq n LEU 1205CO 0.00 0.31 0.17 0.00 -1.33 0.00 0.00 177.39 176.54 1rqq n ALA 1206N -3.84 -1.44 -1.69 -1.18 0.00 0.16 -4.31 120.51 108.21 1rqq n ALA 1206Ca -0.16 0.25 -0.33 0.00 0.00 0.00 0.00 53.44 53.20 1rqq n ALA 1206Cb 0.63 -4.62 0.00 0.00 0.00 0.00 0.00 19.45 15.47 1rqq n ALA 1206CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1rqq s GLU 1207N -6.26 3.38 -0.14 0.00 2.12 -1.18 -4.94 118.70 111.69 1rqq s GLU 1207Ca 0.49 1.29 -0.29 0.00 0.36 0.00 0.00 54.97 56.82 1rqq s GLU 1207Cb -0.23 -2.04 -0.02 0.00 0.26 0.00 0.00 34.13 32.10 1rqq s GLU 1207CO 0.76 -0.77 1.33 -1.14 -0.54 0.00 0.00 175.26 174.90 1rqq s GLN 1208N -3.82 4.23 0.63 4.30 0.74 -1.26 -4.89 119.66 119.59 1rqq s GLN 1208Ca 0.65 1.76 -0.19 0.00 0.05 0.00 0.00 55.36 57.64 1rqq s GLN 1208Cb -0.17 -3.79 -0.02 0.00 1.10 0.00 0.00 33.01 30.13 1rqq s GLN 1208CO 0.33 -0.71 1.30 -0.35 -0.55 0.00 0.00 175.29 175.31 1rqq n PRO 1209N 6.60 1.22 -3.75 1.67 -0.04 -1.26 -2.59 135.00 136.85 1rqq n PRO 1209Ca 0.14 0.47 -0.29 0.00 -0.04 0.00 0.00 63.50 63.79 1rqq n PRO 1209Cb 0.44 -2.54 -0.00 0.00 -0.04 0.00 0.00 33.50 31.36 1rqq n PRO 1209CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1rqq n TYR 1210N -1.76 -1.88 -1.61 0.54 4.01 -1.26 -4.84 117.16 110.37 1rqq n TYR 1210Ca 0.15 0.66 -0.48 0.00 -0.16 0.00 0.00 57.90 58.07 1rqq n TYR 1210Cb 0.47 -3.16 -0.04 0.00 -0.31 0.00 0.00 39.34 36.31 1rqq n TYR 1210CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1rqq n GLN 1211N -4.13 1.41 0.00 -0.72 -0.06 -1.07 -2.22 117.38 110.59 1rqq n GLN 1211Ca 0.03 0.50 0.00 0.00 -2.00 0.00 0.00 57.00 55.53 1rqq n GLN 1211Cb 0.52 -2.07 0.00 0.00 -4.06 0.00 0.00 30.24 24.63 1rqq n GLN 1211CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1rqq n GLY 1212N 2.18 2.62 3.70 1.69 0.00 -1.26 -5.04 105.19 109.08 1rqq n GLY 1212Ca 0.15 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 1rqq n GLY 1212CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rqq n LEU 1213N 0.00 4.72 -4.89 0.99 4.32 -0.94 -5.02 117.00 116.17 1rqq n LEU 1213Ca 0.00 0.63 -0.23 0.00 -0.02 0.00 0.00 56.01 56.39 1rqq n LEU 1213Cb 0.00 -1.52 -0.03 0.00 -1.62 0.00 0.00 43.42 40.25 1rqq n LEU 1213CO 0.00 -1.57 -0.12 -0.94 -1.22 0.00 0.00 177.39 173.54 1rqq s SER 1214N -1.99 5.93 0.24 -1.43 1.04 -1.26 -4.87 113.70 111.35 1rqq s SER 1214Ca 0.75 -0.06 -0.12 0.00 0.48 0.00 0.00 55.95 57.00 1rqq s SER 1214Cb -0.31 -1.65 0.32 0.00 0.10 0.00 0.00 66.02 64.49 1rqq s SER 1214CO 0.49 -0.02 1.46 0.59 0.98 0.00 0.00 173.24 176.74 1rqq n ASN 1215N -1.05 -0.48 -0.11 7.02 3.02 -1.26 0.10 115.26 122.50 1rqq n ASN 1215Ca -0.08 1.63 0.02 0.00 -0.03 0.00 0.00 54.58 56.11 1rqq n ASN 1215Cb 0.57 -0.43 0.32 0.00 -0.61 0.00 0.00 39.78 39.62 1rqq n ASN 1215CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1rqq h GLU 1216N 0.00 0.77 -0.34 3.52 3.07 -1.99 0.14 114.58 119.75 1rqq h GLU 1216Ca 0.39 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 59.09 1rqq h GLU 1216Cb 0.62 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 1rqq h GLU 1216CO -0.95 0.53 -0.17 1.96 -1.40 0.00 0.00 179.01 178.98 1rqq h GLN 1217N 0.78 0.71 -0.28 2.33 4.20 0.32 -2.22 115.11 120.95 1rqq h GLN 1217Ca 0.21 -0.31 0.02 0.00 0.06 0.00 0.00 58.65 58.62 1rqq h GLN 1217Cb -0.04 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1rqq h GLN 1217CO -0.04 0.92 0.14 0.28 -0.67 0.00 0.00 178.83 179.46 1rqq h VAL 1218N 0.49 1.00 -0.11 -0.54 2.07 -0.00 0.42 116.25 119.57 1rqq h VAL 1218Ca 0.07 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1rqq h VAL 1218Cb 0.71 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 1rqq h VAL 1218CO 0.05 0.05 -0.53 0.25 0.02 0.00 0.00 177.57 177.42 1rqq h LEU 1219N 0.30 -1.67 0.36 2.57 7.12 -0.61 0.56 115.31 123.94 1rqq h LEU 1219Ca 0.11 0.20 -0.02 0.00 0.13 0.00 0.00 57.88 58.30 1rqq h LEU 1219Cb 0.03 0.65 0.00 0.00 -0.53 0.00 0.00 40.66 40.80 1rqq h LEU 1219CO -0.07 -0.48 -0.18 0.50 -0.13 0.00 0.00 178.44 178.08 1rqq h LYS 1220N -0.58 -0.48 -0.47 1.25 3.64 -1.14 -0.14 116.57 118.65 1rqq h LYS 1220Ca 0.03 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.49 1rqq h LYS 1220Cb 0.67 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 32.51 1rqq h LYS 1220CO -0.41 -0.32 -0.55 0.35 -2.27 0.00 0.00 179.45 176.25 1rqq h PHE 1221N -0.50 -1.70 -0.27 1.91 3.57 0.15 0.09 116.94 120.20 1rqq h PHE 1221Ca -0.05 0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1rqq h PHE 1221Cb 0.39 0.80 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 1rqq h PHE 1221CO -0.06 -0.46 0.07 0.28 -2.23 0.00 0.00 178.31 175.91 1rqq h VAL 1222N -0.34 1.21 -0.10 1.41 2.07 -0.87 -1.20 116.25 118.42 1rqq h VAL 1222Ca 0.08 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 66.96 1rqq h VAL 1222Cb 0.56 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1rqq h VAL 1222CO -0.63 0.22 0.14 0.24 0.02 0.00 0.00 177.57 177.56 1rqq h MET 1223N 0.27 0.00 -0.63 1.57 2.86 -0.50 -1.26 114.93 117.24 1rqq h MET 1223Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1rqq h MET 1223Cb 0.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1rqq h MET 1223CO -0.00 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 177.72 1rqq n ASP 1224N -3.64 3.94 0.00 1.22 8.00 -0.03 -4.90 116.55 121.15 1rqq n ASP 1224Ca -0.00 -2.38 0.00 0.00 0.71 0.00 0.00 54.79 53.11 1rqq n ASP 1224Cb 0.24 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 1rqq n ASP 1224CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rqq n GLY 1225N 0.93 0.48 3.78 0.44 0.00 -0.48 -5.06 105.19 105.29 1rqq n GLY 1225Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 1rqq n GLY 1225CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rqq s GLY 1226N -1.07 1.59 -0.15 -0.02 0.00 -0.49 -4.99 107.32 102.18 1rqq s GLY 1226Ca 0.00 -0.44 -0.32 0.00 0.00 0.00 0.00 44.72 43.96 1rqq s GLY 1226CO 0.00 0.09 1.10 -2.52 0.00 0.00 0.00 173.10 171.77 1rqq s TYR 1227N -3.23 -0.23 0.81 1.90 -0.85 -1.26 -4.51 117.35 109.98 1rqq s TYR 1227Ca 0.63 0.24 -0.14 0.00 -0.52 0.00 0.00 57.07 57.28 1rqq s TYR 1227Cb -0.15 0.50 0.02 0.00 0.38 0.00 0.00 41.96 42.71 1rqq s TYR 1227CO 0.54 -0.30 0.72 1.28 -1.52 0.00 0.00 175.55 176.27 1rqq n LEU 1228N 0.15 1.76 -4.92 -3.49 4.77 -1.26 -5.02 117.00 108.99 1rqq n LEU 1228Ca -0.04 0.53 -0.26 0.00 -0.03 0.00 0.00 56.01 56.20 1rqq n LEU 1228Cb 0.59 -1.31 0.01 0.00 -2.33 0.00 0.00 43.42 40.38 1rqq n LEU 1228CO 0.11 -2.77 0.43 -1.81 -1.33 0.00 0.00 177.39 172.02 1rqq s ASP 1229N -1.81 5.91 0.13 -1.43 1.11 -1.26 -5.04 116.67 114.28 1rqq s ASP 1229Ca 0.66 0.68 -0.30 0.00 0.18 0.00 0.00 52.55 53.77 1rqq s ASP 1229Cb -0.30 -1.87 -0.07 0.00 1.07 0.00 0.00 42.92 41.76 1rqq s ASP 1229CO 0.58 -0.78 1.14 -1.10 1.18 0.00 0.00 175.17 176.18 1rqq s GLN 1230N -4.78 4.53 1.09 8.23 -1.52 -1.26 -5.02 119.66 120.93 1rqq s GLN 1230Ca 0.50 1.74 -0.15 0.00 -1.95 0.00 0.00 55.36 55.50 1rqq s GLN 1230Cb -0.10 -3.31 0.24 0.00 -0.22 0.00 0.00 33.01 29.62 1rqq s GLN 1230CO 0.43 -0.06 1.08 -2.14 -0.25 0.00 0.00 175.29 174.36 1rqq s PRO 1231N 0.17 -0.33 0.20 2.91 0.02 -1.26 -4.93 135.00 131.78 1rqq s PRO 1231Ca 0.53 0.36 -0.31 0.00 0.02 0.00 0.00 61.00 61.60 1rqq s PRO 1231Cb -0.29 -1.66 -0.10 0.00 0.02 0.00 0.00 34.50 32.47 1rqq s PRO 1231CO 0.33 -3.21 1.49 -0.51 -0.33 0.00 0.00 177.00 174.77 1rqq s ASP 1232N -3.46 6.64 -0.73 2.53 1.01 -1.26 -2.66 116.67 118.74 1rqq s ASP 1232Ca 0.67 2.61 0.00 0.00 0.71 0.00 0.00 52.55 56.55 1rqq s ASP 1232Cb -0.17 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.15 1rqq s ASP 1232CO 0.58 -0.75 0.00 0.59 0.21 0.00 0.00 175.17 175.80 1rqq n ASN 1233N 3.21 -5.78 -4.67 0.27 3.02 -1.26 -4.89 115.26 105.15 1rqq n ASN 1233Ca 0.10 0.17 -0.50 0.00 -0.03 0.00 0.00 54.58 54.32 1rqq n ASN 1233Cb 0.40 -3.88 -0.05 0.00 -0.61 0.00 0.00 39.78 35.63 1rqq n ASN 1233CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rqq n PRO 1235N 5.19 1.87 0.11 0.00 -0.02 -1.26 -4.79 135.00 136.10 1rqq n PRO 1235Ca 0.22 0.66 0.04 0.00 -2.02 0.00 0.00 63.50 62.40 1rqq n PRO 1235Cb 0.25 -2.27 0.46 0.00 -0.02 0.00 0.00 33.50 31.92 1rqq n PRO 1235CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1rqq h GLU 1236N 3.77 0.29 -0.88 -0.52 9.09 -1.98 -0.85 114.58 123.50 1rqq h GLU 1236Ca -0.44 -0.04 -0.00 0.00 0.05 0.00 0.00 59.36 58.93 1rqq h GLU 1236Cb 1.29 -0.06 -0.04 0.00 -1.65 0.00 0.00 28.75 28.29 1rqq h GLU 1236CO 0.72 0.28 0.54 -0.09 0.05 0.00 0.00 179.01 180.51 1rqq h ARG 1237N 0.30 1.20 -0.10 1.06 2.43 -2.00 0.17 114.38 117.44 1rqq h ARG 1237Ca 0.07 -0.11 -0.17 0.00 -0.81 0.00 0.00 59.98 58.97 1rqq h ARG 1237Cb 0.12 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1rqq h ARG 1237CO -0.00 0.84 -0.65 0.28 -1.51 0.00 0.00 179.97 178.92 1rqq h VAL 1238N 1.22 1.37 -0.24 0.20 2.07 -1.74 -2.46 116.25 116.67 1rqq h VAL 1238Ca 0.32 -2.02 -0.01 0.00 0.82 0.00 0.00 66.70 65.80 1rqq h VAL 1238Cb -0.06 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1rqq h VAL 1238CO -0.06 0.61 0.10 0.74 0.02 0.00 0.00 177.57 178.98 1rqq h THR 1239N 0.27 1.10 -0.29 2.57 2.02 0.11 -1.64 112.91 117.05 1rqq h THR 1239Ca -0.01 -0.29 -0.05 0.00 0.77 0.00 0.00 66.41 66.82 1rqq h THR 1239Cb 1.20 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 1rqq h THR 1239CO 0.11 0.11 -0.03 0.44 0.37 0.00 0.00 175.52 176.52 1rqq h ASP 1240N 0.33 0.53 -0.02 4.18 3.32 -0.24 -2.26 116.42 122.26 1rqq h ASP 1240Ca 0.09 -0.34 0.02 0.00 0.02 0.00 0.00 57.03 56.82 1rqq h ASP 1240Cb 0.07 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1rqq h ASP 1240CO -0.01 0.74 -0.10 -0.07 -1.72 0.00 0.00 179.24 178.08 1rqq h LEU 1241N 0.30 -0.29 -0.75 1.55 3.38 -1.17 -1.38 115.31 116.95 1rqq h LEU 1241Ca 0.08 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.21 1rqq h LEU 1241Cb 0.49 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.28 1rqq h LEU 1241CO 0.02 -0.14 0.36 0.24 0.09 0.00 0.00 178.44 179.01 1rqq h MET 1242N -0.16 0.54 -0.79 1.13 2.86 -1.29 0.11 114.93 117.33 1rqq h MET 1242Ca 0.04 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1rqq h MET 1242Cb 0.22 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.71 1rqq h MET 1242CO -0.11 0.36 0.49 0.00 1.06 0.00 0.00 176.91 178.70 1rqq h ARG 1243N 0.56 1.07 -0.14 1.72 -0.00 -0.82 -0.07 114.38 116.70 1rqq h ARG 1243Ca 0.39 -0.09 -0.10 0.00 -0.50 0.00 0.00 59.98 59.68 1rqq h ARG 1243Cb 0.50 -0.23 -0.01 0.00 0.00 0.00 0.00 29.97 30.23 1rqq h ARG 1243CO -0.33 0.75 -0.36 0.52 0.00 0.00 0.00 179.97 180.55 1rqq h MET 1244N 1.09 0.29 0.00 0.04 2.07 -0.03 -2.84 114.93 115.53 1rqq h MET 1244Ca 0.29 -0.13 -0.08 0.00 -2.07 0.00 0.00 59.70 57.71 1rqq h MET 1244Cb -0.05 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 29.66 1rqq h MET 1244CO -0.05 0.62 -0.39 0.00 1.07 0.00 0.00 176.91 178.16 1rqq n TRP 1246N -3.64 2.05 -1.90 0.00 8.01 -0.14 -4.05 117.44 117.77 1rqq n TRP 1246Ca -0.01 -1.19 -0.41 0.00 -1.31 0.00 0.00 57.50 54.58 1rqq n TRP 1246Cb 0.49 -0.60 -0.01 0.00 -2.01 0.00 0.00 31.31 29.18 1rqq n TRP 1246CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 1rqq s GLN 1247N -3.00 4.19 0.25 -0.99 -1.52 -1.21 -4.88 119.66 112.49 1rqq s GLN 1247Ca 0.52 2.46 -0.04 0.00 -1.95 0.00 0.00 55.36 56.35 1rqq s GLN 1247Cb 0.42 -3.00 0.29 0.00 -0.22 0.00 0.00 33.01 30.49 1rqq s GLN 1247CO 0.11 -0.43 1.78 0.35 -0.25 0.00 0.00 175.29 176.86 1rqq h PHE 1248N 3.23 0.99 -3.47 0.91 3.57 -1.94 -3.40 116.94 116.83 1rqq h PHE 1248Ca -0.50 -0.10 -0.61 0.00 3.53 0.00 0.00 57.97 60.29 1rqq h PHE 1248Cb 1.23 -0.29 -0.11 0.00 2.79 0.00 0.00 35.95 39.58 1rqq h PHE 1248CO 0.54 0.82 0.27 1.21 -2.23 0.00 0.00 178.31 178.92 1rqq s ASN 1249N -6.53 6.60 0.52 0.41 3.84 -1.26 -4.86 114.94 113.65 1rqq s ASN 1249Ca -0.11 0.61 0.34 0.00 0.21 0.00 0.00 52.86 53.91 1rqq s ASN 1249Cb 0.15 -2.37 1.48 0.00 -0.55 0.00 0.00 41.25 39.96 1rqq s ASN 1249CO 0.82 -0.51 1.79 1.55 -2.79 0.00 0.00 177.10 177.95 1rqq h PRO 1250N 8.07 0.07 -0.00 0.43 0.13 -1.96 0.46 132.00 139.19 1rqq h PRO 1250Ca -0.26 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1rqq h PRO 1250Cb 1.11 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1rqq h PRO 1250CO 0.83 0.04 -0.01 0.27 -0.23 0.00 0.00 178.00 178.91 1rqq n ASN 1251N -4.27 0.04 0.07 1.44 2.04 -1.26 -2.79 115.26 110.54 1rqq n ASN 1251Ca 0.26 -0.57 0.08 0.00 -0.44 0.00 0.00 54.58 53.91 1rqq n ASN 1251Cb 1.21 -0.14 -0.04 0.00 -2.53 0.00 0.00 39.78 38.29 1rqq n ASN 1251CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 1rqq n MET 1252N -1.12 0.61 -2.02 -3.83 2.81 0.16 -4.93 117.12 108.81 1rqq n MET 1252Ca 0.19 0.14 -0.33 0.00 -1.81 0.00 0.00 57.70 55.89 1rqq n MET 1252Cb 0.18 -1.80 0.01 0.00 -0.71 0.00 0.00 33.22 30.90 1rqq n MET 1252CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1rqq s ARG 1253N -3.23 3.30 0.79 0.03 0.52 -1.12 -4.93 118.95 114.31 1rqq s ARG 1253Ca -0.02 1.19 -0.12 0.00 -0.52 0.00 0.00 55.73 56.26 1rqq s ARG 1253Cb 0.09 -2.03 0.07 0.00 0.52 0.00 0.00 34.95 33.60 1rqq s ARG 1253CO 0.80 -0.82 1.16 -1.25 0.02 0.00 0.00 175.30 175.21 1rqq s PRO 1254N -4.13 2.12 0.19 3.54 0.04 -1.26 -5.07 135.00 130.44 1rqq s PRO 1254Ca 0.63 0.20 0.04 0.00 0.04 0.00 0.00 61.00 61.91 1rqq s PRO 1254Cb -0.16 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 1rqq s PRO 1254CO 0.38 -1.50 0.28 0.95 0.04 0.00 0.00 177.00 177.14 1rqq s THR 1255N -3.52 5.08 0.30 1.26 -4.23 -1.26 -4.93 115.64 108.34 1rqq s THR 1255Ca 0.61 -0.93 -0.00 0.00 -1.18 0.00 0.00 61.69 60.19 1rqq s THR 1255Cb -0.11 -3.67 0.27 0.00 1.34 0.00 0.00 72.50 70.33 1rqq s THR 1255CO 0.50 -0.20 1.93 -0.26 -0.54 0.00 0.00 174.62 176.04 1rqq h PHE 1256N 1.79 1.05 -0.45 3.99 0.04 -1.94 -0.00 116.94 121.41 1rqq h PHE 1256Ca -0.49 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.30 1rqq h PHE 1256Cb 1.21 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 38.99 1rqq h PHE 1256CO 0.51 0.59 0.26 -0.07 -0.60 0.00 0.00 178.31 179.00 1rqq h LEU 1257N 1.06 0.55 -1.29 1.54 3.38 -1.94 -1.43 115.31 117.18 1rqq h LEU 1257Ca 0.36 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.29 1rqq h LEU 1257Cb 0.09 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1rqq h LEU 1257CO -0.12 0.46 0.50 -0.33 0.09 0.00 0.00 178.44 179.04 1rqq h GLU 1258N 0.59 0.92 -0.26 1.13 5.08 -1.53 0.85 114.58 121.36 1rqq h GLU 1258Ca 0.16 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1rqq h GLU 1258Cb 0.02 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1rqq h GLU 1258CO -0.03 0.61 0.09 0.82 -1.00 0.00 0.00 179.01 179.50 1rqq h ILE 1259N 0.95 1.19 -0.30 3.13 2.04 -0.24 -1.00 117.51 123.28 1rqq h ILE 1259Ca 0.29 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1rqq h ILE 1259Cb 0.00 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1rqq h ILE 1259CO -0.08 0.20 0.14 0.58 0.00 0.00 0.00 178.15 179.00 1rqq h VAL 1260N 0.26 1.15 -0.80 1.67 2.07 -0.71 -2.29 116.25 117.60 1rqq h VAL 1260Ca 0.08 -0.43 0.14 0.00 0.82 0.00 0.00 66.70 67.32 1rqq h VAL 1260Cb 0.23 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 1rqq h VAL 1260CO -0.00 0.16 0.52 -1.13 0.02 0.00 0.00 177.57 177.14 1rqq h ASN 1261N 0.35 0.48 0.97 0.57 -1.24 -0.58 0.46 115.58 116.59 1rqq h ASN 1261Ca 0.10 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.14 1rqq h ASN 1261Cb 0.12 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.10 1rqq h ASN 1261CO -0.01 0.25 0.00 0.25 -1.29 0.00 0.00 177.43 176.63 1rqq h LEU 1262N 0.51 0.00 -0.41 0.34 5.85 -0.62 -3.28 115.31 117.71 1rqq h LEU 1262Ca 0.39 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.11 1rqq h LEU 1262Cb 0.79 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.82 1rqq h LEU 1262CO -0.14 0.00 0.00 0.18 -0.34 0.00 0.00 178.44 178.14 1rqq n LEU 1263N -2.37 0.41 -0.36 2.25 4.77 0.11 -4.80 117.00 117.00 1rqq n LEU 1263Ca 0.03 -0.69 0.27 0.00 -0.03 0.00 0.00 56.01 55.58 1rqq n LEU 1263Cb 0.29 0.00 0.53 0.00 -2.33 0.00 0.00 43.42 41.92 1rqq n LEU 1263CO 0.23 0.10 1.19 0.07 -1.33 0.00 0.00 177.39 177.66 1rqq h LYS 1264N 0.00 0.29 -0.13 3.23 2.10 -0.36 -2.61 116.57 119.09 1rqq h LYS 1264Ca 0.00 -0.02 -0.07 0.00 -2.00 0.00 0.00 60.65 58.56 1rqq h LYS 1264Cb 0.01 -0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 31.27 1rqq h LYS 1264CO 0.00 0.19 -0.21 -0.44 -2.00 0.00 0.00 179.45 176.99 1rqq h ASP 1265N 0.30 0.41 -0.74 7.07 3.32 -1.87 -3.32 116.42 121.59 1rqq h ASP 1265Ca 0.70 -0.53 -0.40 0.00 0.02 0.00 0.00 57.03 56.82 1rqq h ASP 1265Cb 1.84 -0.12 -0.15 0.00 0.22 0.00 0.00 39.33 41.13 1rqq h ASP 1265CO -0.42 0.86 0.22 0.47 -1.72 0.00 0.00 179.24 178.64 1rqq n ASP 1266N -4.50 6.18 -4.36 6.45 8.00 -0.98 -4.92 116.55 122.43 1rqq n ASP 1266Ca -0.07 -3.02 -0.20 0.00 0.71 0.00 0.00 54.79 52.22 1rqq n ASP 1266Cb 0.41 -1.25 -0.10 0.00 -0.02 0.00 0.00 41.12 40.16 1rqq n ASP 1266CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rqq s LEU 1267N -1.62 2.54 0.30 0.64 1.43 -1.25 -4.80 118.68 115.91 1rqq s LEU 1267Ca 0.56 -0.99 -0.29 0.00 -1.03 0.00 0.00 54.13 52.38 1rqq s LEU 1267Cb 0.34 -0.75 -0.13 0.00 0.03 0.00 0.00 46.19 45.68 1rqq s LEU 1267CO -0.14 -0.12 1.18 1.57 0.23 0.00 0.00 176.35 179.07 1rqq n HIS 1268N -0.29 1.79 -0.14 0.29 -0.00 -1.26 -4.84 115.22 110.77 1rqq n HIS 1268Ca -0.09 0.61 0.28 0.00 -0.00 0.00 0.00 57.72 58.52 1rqq n HIS 1268Cb 0.60 -2.34 0.72 0.00 -0.00 0.00 0.00 29.99 28.96 1rqq n HIS 1268CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1rqq h PRO 1269N 2.58 0.00 0.00 1.57 0.13 -1.99 -0.77 132.00 133.52 1rqq h PRO 1269Ca -0.43 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.65 1rqq h PRO 1269Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 1rqq h PRO 1269CO 0.64 0.00 -0.23 1.03 -0.23 0.00 0.00 178.00 179.20 1rqq h SER 1270N 0.00 0.00 -0.81 1.44 0.87 -2.02 -3.35 113.55 109.67 1rqq h SER 1270Ca 0.40 0.00 0.15 0.00 -1.23 0.00 0.00 61.79 61.10 1rqq h SER 1270Cb 1.70 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 63.51 1rqq h SER 1270CO -0.00 0.23 -0.29 0.15 -0.53 0.00 0.00 176.83 176.39 1rqq h PHE 1271N 0.00 -0.75 -0.10 2.24 3.57 -1.48 0.17 116.94 120.60 1rqq h PHE 1271Ca -0.00 0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.61 1rqq h PHE 1271Cb 0.84 0.45 -0.00 0.00 2.79 0.00 0.00 35.95 40.02 1rqq h PHE 1271CO 0.00 -0.38 0.12 -1.35 -2.23 0.00 0.00 178.31 174.47 1rqq h PRO 1272N -0.05 0.00 0.00 6.41 0.11 -1.80 0.25 132.00 136.93 1rqq h PRO 1272Ca 0.34 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.44 1rqq h PRO 1272Cb 0.59 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.70 1rqq h PRO 1272CO -0.84 0.00 -0.06 0.93 -0.21 0.00 0.00 178.00 177.82 1rqq h GLU 1273N 0.00 0.00 0.00 1.05 5.08 -0.91 -3.39 114.58 116.41 1rqq h GLU 1273Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1rqq h GLU 1273Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1rqq h GLU 1273CO -0.00 0.04 -1.03 1.33 -1.00 0.00 0.00 179.01 178.35 1rqq n VAL 1274N -3.10 0.03 -1.22 3.13 0.24 -0.52 -5.08 118.33 111.81 1rqq n VAL 1274Ca 0.04 -0.02 -0.35 0.00 -2.04 0.00 0.00 64.34 61.97 1rqq n VAL 1274Cb 0.55 -0.81 0.10 0.00 -1.47 0.00 0.00 33.84 32.20 1rqq n VAL 1274CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1rqq n SER 1275N -1.96 -0.02 0.08 -1.34 3.41 0.77 -4.50 113.62 110.07 1rqq n SER 1275Ca -0.01 0.60 -0.16 0.00 -0.26 0.00 0.00 58.87 59.04 1rqq n SER 1275Cb 0.45 -1.37 -0.08 0.00 -0.26 0.00 0.00 64.21 62.95 1rqq n SER 1275CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1rqq h PHE 1276N -0.57 0.70 -0.42 7.33 3.57 -1.90 -3.26 116.94 122.40 1rqq h PHE 1276Ca -0.46 -0.42 0.09 0.00 3.53 0.00 0.00 57.97 60.71 1rqq h PHE 1276Cb 1.32 -0.07 -0.09 0.00 2.79 0.00 0.00 35.95 39.91 1rqq h PHE 1276CO 0.40 1.26 -0.21 0.35 -2.23 0.00 0.00 178.31 177.88 1rqq h PHE 1277N 0.22 -0.53 -0.23 0.41 3.04 -1.90 0.02 116.94 117.97 1rqq h PHE 1277Ca -0.12 0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.88 1rqq h PHE 1277Cb 1.73 0.30 0.00 0.00 2.56 0.00 0.00 35.95 40.53 1rqq h PHE 1277CO 0.07 -0.29 0.00 0.72 -2.02 0.00 0.00 178.31 176.79 1rqq n HIS 1278N -5.39 0.40 -2.08 0.41 8.25 -1.25 -4.77 115.22 110.79 1rqq n HIS 1278Ca 0.02 -0.18 -0.30 0.00 -0.26 0.00 0.00 57.72 57.00 1rqq n HIS 1278Cb 0.30 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.36 1rqq n HIS 1278CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1rqq s SER 1279N -0.85 6.28 0.35 0.41 0.15 -0.01 -4.96 113.70 115.06 1rqq s SER 1279Ca 0.17 1.33 0.15 0.00 0.70 0.00 0.00 55.95 58.30 1rqq s SER 1279Cb 0.10 -2.43 0.62 0.00 -1.71 0.00 0.00 66.02 62.60 1rqq s SER 1279CO 0.10 -0.78 1.73 1.05 1.20 0.00 0.00 173.24 176.54 1rqq h GLU 1280N -0.07 0.00 -0.06 5.44 9.09 -1.91 -2.69 114.58 124.38 1rqq h GLU 1280Ca -0.45 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 58.95 1rqq h GLU 1280Cb 1.19 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.29 1rqq h GLU 1280CO 0.62 0.45 0.00 1.49 0.05 0.00 0.00 179.01 181.62 1rqq h GLU 1281N 0.00 0.08 -4.90 1.06 4.81 -1.93 -3.30 114.58 110.41 1rqq h GLU 1281Ca -0.00 -0.01 -0.68 0.00 -0.13 0.00 0.00 59.36 58.54 1rqq h GLU 1281Cb 0.88 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.19 1rqq h GLU 1281CO 0.06 0.09 2.61 -1.71 -0.73 0.00 0.00 179.01 179.33 1rqq n ASN 1282N -4.49 4.25 -0.91 1.04 5.15 -1.01 -5.16 115.26 114.13 1rqq n ASN 1282Ca -0.02 -2.86 0.11 0.00 -0.60 0.00 0.00 54.58 51.21 1rqq n ASN 1282Cb 0.12 -1.68 0.09 0.00 -0.53 0.00 0.00 39.78 37.78 1rqq n ASN 1282CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95