#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fq4 s MET 988 N nan 4.13 0.33 0.00 1.00 -1.26 -5.05 119.30 nan 3fq4 s MET 988 Ca nan 2.57 0.08 0.00 0.00 0.00 0.00 55.69 nan 3fq4 s MET 988 Cb nan -3.04 -0.04 0.00 0.00 0.00 0.00 34.83 nan 3fq4 s MET 988 CO nan -0.65 0.14 1.03 0.00 0.00 0.00 175.02 nan 3fq4 s ARG 989 N -0.07 2.43 -1.22 2.03 0.52 -1.26 -4.75 118.95 116.62 3fq4 s ARG 989 Ca 0.66 -1.48 -0.11 0.00 -0.52 0.00 0.00 55.73 54.28 3fq4 s ARG 989 Cb -0.48 -2.22 -0.01 0.00 0.52 0.00 0.00 34.95 32.76 3fq4 s ARG 989 CO 0.44 0.15 0.70 -0.25 0.02 0.00 0.00 175.30 176.36 3fq4 n ASP 990 N -1.14 -3.45 -4.62 0.23 10.43 0.41 -4.03 116.55 114.37 3fq4 n ASP 990 Ca -0.04 -0.95 -0.41 0.00 2.57 0.00 0.00 54.79 55.97 3fq4 n ASP 990 Cb 0.61 -3.58 -0.06 0.00 1.84 0.00 0.00 41.12 39.92 3fq4 n ASP 990 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3fq4 s VAL 991 N -3.61 4.99 -0.15 2.53 1.01 -0.32 -1.72 120.40 123.13 3fq4 s VAL 991 Ca 0.27 1.09 -0.03 0.00 0.00 0.00 0.00 61.98 63.31 3fq4 s VAL 991 Cb -0.09 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 3fq4 s VAL 991 CO 0.85 0.02 -0.04 -0.69 0.00 0.00 0.00 175.10 175.24 3fq4 s VAL 992 N 2.50 3.89 0.21 2.92 1.01 0.82 -0.64 120.40 131.12 3fq4 s VAL 992 Ca 0.26 -0.36 -0.13 0.00 0.00 0.00 0.00 61.98 61.74 3fq4 s VAL 992 Cb -0.15 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.53 3fq4 s VAL 992 CO 0.09 0.50 0.45 -0.94 0.00 0.00 0.00 175.10 175.20 3fq4 s SER 993 N 0.27 -0.11 0.45 3.32 1.04 -0.54 -0.46 113.70 117.67 3fq4 s SER 993 Ca -0.03 -0.78 -0.21 0.00 0.48 0.00 0.00 55.95 55.41 3fq4 s SER 993 Cb -0.14 0.55 -0.09 0.00 0.10 0.00 0.00 66.02 66.44 3fq4 s SER 993 CO 0.03 -1.06 1.01 -0.36 0.98 0.00 0.00 173.24 173.84 3fq4 s PHE 994 N -3.96 3.13 0.29 5.02 0.40 -0.31 -0.41 117.98 122.15 3fq4 s PHE 994 Ca 0.17 1.60 0.08 0.00 -0.60 0.00 0.00 56.93 58.18 3fq4 s PHE 994 Cb 0.00 -3.02 0.45 0.00 0.51 0.00 0.00 43.02 40.96 3fq4 s PHE 994 CO 0.03 -0.59 1.69 1.49 0.70 0.00 0.00 175.22 178.54 3fq4 h GLU 995 N 1.83 0.17 -4.48 0.44 4.81 -1.73 -3.37 114.58 112.26 3fq4 h GLU 995 Ca -0.49 -0.09 -0.24 0.00 -0.13 0.00 0.00 59.36 58.41 3fq4 h GLU 995 Cb 1.21 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.40 3fq4 h GLU 995 CO 0.60 0.60 -0.72 -0.65 -0.73 0.00 0.00 179.01 178.12 3fq4 s GLN 996 N -4.02 0.56 0.21 1.92 -0.21 -1.26 -4.95 119.66 111.91 3fq4 s GLN 996 Ca -0.04 -0.88 0.25 0.00 0.02 0.00 0.00 55.36 54.71 3fq4 s GLN 996 Cb 0.13 -0.18 0.89 0.00 1.00 0.00 0.00 33.01 34.85 3fq4 s GLN 996 CO 0.77 0.01 1.75 -0.35 -2.12 0.00 0.00 175.29 175.35 3fq4 n PRO 997 N 1.09 0.22 -3.83 2.91 -0.04 -1.26 -4.75 135.00 129.33 3fq4 n PRO 997 Ca -0.20 0.28 -0.12 0.00 -0.04 0.00 0.00 63.50 63.41 3fq4 n PRO 997 Cb 0.56 -1.80 -0.13 0.00 -0.04 0.00 0.00 33.50 32.09 3fq4 n PRO 997 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3fq4 s GLU 998 N -3.17 0.12 0.01 0.54 2.02 -1.26 -1.14 118.70 115.82 3fq4 s GLU 998 Ca 0.08 0.15 0.05 0.00 0.02 0.00 0.00 54.97 55.27 3fq4 s GLU 998 Cb 0.12 0.06 -0.02 0.00 0.10 0.00 0.00 34.13 34.39 3fq4 s GLU 998 CO 0.51 -0.02 -0.15 -0.06 0.02 0.00 0.00 175.26 175.57 3fq4 s PHE 999 N 0.06 1.30 -0.10 1.61 0.08 -0.20 -4.94 117.98 115.79 3fq4 s PHE 999 Ca -0.00 -0.30 -0.01 0.00 0.12 0.00 0.00 56.93 56.74 3fq4 s PHE 999 Cb -0.01 -0.80 -0.03 0.00 -0.57 0.00 0.00 43.02 41.61 3fq4 s PHE 999 CO 0.00 0.01 -0.04 -1.12 -0.10 0.00 0.00 175.22 173.97 3fq4 s SER 1000N -0.74 4.81 0.20 1.36 0.01 -1.26 -0.52 113.70 117.56 3fq4 s SER 1000Ca 0.04 -0.03 0.01 0.00 1.31 0.00 0.00 55.95 57.28 3fq4 s SER 1000Cb -0.07 -1.45 -0.05 0.00 0.21 0.00 0.00 66.02 64.67 3fq4 s SER 1000CO 0.00 0.30 0.05 0.68 0.41 0.00 0.00 173.24 174.68 3fq4 s VAL 1001N -0.41 0.55 0.12 3.43 -7.23 0.21 -4.94 120.40 112.14 3fq4 s VAL 1001Ca 0.06 -1.98 -0.02 0.00 -1.81 0.00 0.00 61.98 58.23 3fq4 s VAL 1001Cb -0.12 -2.31 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 3fq4 s VAL 1001CO 0.02 -0.29 0.31 -0.55 -0.31 0.00 0.00 175.10 174.29 3fq4 s SER 1002N -3.21 6.42 0.47 4.85 0.15 -1.26 -0.99 113.70 120.13 3fq4 s SER 1002Ca 0.29 0.42 0.16 0.00 0.70 0.00 0.00 55.95 57.53 3fq4 s SER 1002Cb 0.07 -2.02 1.14 0.00 -1.71 0.00 0.00 66.02 63.50 3fq4 s SER 1002CO 0.07 0.08 2.02 -0.09 1.20 0.00 0.00 173.24 176.53 3fq4 h ARG 1003N 2.75 0.25 -0.48 5.44 2.43 -1.28 -2.16 114.38 121.33 3fq4 h ARG 1003Ca -0.46 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3fq4 h ARG 1003Cb 1.17 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3fq4 h ARG 1003CO 0.73 0.16 0.00 0.41 -1.51 0.00 0.00 179.97 179.76 3fq4 n GLY 1004N -1.55 1.53 0.09 2.80 0.00 -1.26 -4.41 105.19 102.39 3fq4 n GLY 1004Ca 0.07 -0.63 0.09 0.00 0.00 0.00 0.00 46.02 45.55 3fq4 n GLY 1004CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fq4 n ASP 1005N 1.15 0.42 0.00 1.61 8.00 -0.81 -4.90 116.55 122.01 3fq4 n ASP 1005Ca 0.19 0.62 0.00 0.00 0.71 0.00 0.00 54.79 56.31 3fq4 n ASP 1005Cb 0.50 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 3fq4 n ASP 1005CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fq4 n GLN 1006N -1.98 0.00 -3.90 -1.24 1.13 -1.26 -4.81 117.38 105.32 3fq4 n GLN 1006Ca 0.02 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.97 3fq4 n GLN 1006Cb 0.17 -0.16 -0.12 0.00 0.11 0.00 0.00 30.24 30.24 3fq4 n GLN 1006CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 3fq4 s VAL 1007N 0.00 0.05 -0.19 5.09 -7.23 -1.26 -1.02 120.40 115.84 3fq4 s VAL 1007Ca 0.00 -0.43 -0.13 0.00 -1.81 0.00 0.00 61.98 59.61 3fq4 s VAL 1007Cb 0.00 -0.20 -0.05 0.00 0.56 0.00 0.00 36.38 36.70 3fq4 s VAL 1007CO 0.00 -0.24 0.25 0.00 -0.31 0.00 0.00 175.10 174.80 3fq4 s ALA 1008N -0.72 3.61 -0.30 1.32 0.00 0.47 -4.89 121.76 121.25 3fq4 s ALA 1008Ca -0.08 -0.60 -0.08 0.00 0.00 0.00 0.00 51.96 51.19 3fq4 s ALA 1008Cb -0.05 -2.37 -0.00 0.00 0.00 0.00 0.00 23.12 20.70 3fq4 s ALA 1008CO -0.00 -0.01 0.11 1.03 0.00 0.00 0.00 175.76 176.89 3fq4 s ARG 1009N 0.70 3.24 -0.25 0.00 0.52 -1.26 -1.58 118.95 120.32 3fq4 s ARG 1009Ca 0.13 -0.77 0.02 0.00 -0.52 0.00 0.00 55.73 54.59 3fq4 s ARG 1009Cb -0.13 -3.46 0.06 0.00 0.52 0.00 0.00 34.95 31.94 3fq4 s ARG 1009CO 0.03 -0.41 -0.09 0.42 0.02 0.00 0.00 175.30 175.27 3fq4 s ILE 1010N 1.56 1.88 0.12 1.52 1.01 0.69 -4.94 121.20 123.04 3fq4 s ILE 1010Ca 0.04 -1.42 -0.30 0.00 0.00 0.00 0.00 60.65 58.96 3fq4 s ILE 1010Cb -0.17 -2.04 -0.06 0.00 0.01 0.00 0.00 42.46 40.19 3fq4 s ILE 1010CO 0.04 -0.04 0.99 -2.16 0.00 0.00 0.00 174.94 173.78 3fq4 s PRO 1011N 1.24 4.67 -0.15 2.79 0.04 -1.26 -0.59 135.00 141.74 3fq4 s PRO 1011Ca -0.07 1.51 0.01 0.00 0.04 0.00 0.00 61.00 62.49 3fq4 s PRO 1011Cb -0.19 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 30.99 3fq4 s PRO 1011CO -0.06 0.17 -0.17 0.08 0.04 0.00 0.00 177.00 177.07 3fq4 s VAL 1012N -0.01 2.51 0.12 -0.36 1.01 0.18 -2.02 120.40 121.83 3fq4 s VAL 1012Ca 0.48 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.68 3fq4 s VAL 1012Cb -0.25 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 3fq4 s VAL 1012CO 0.31 0.52 0.08 0.27 0.00 0.00 0.00 175.10 176.28 3fq4 s ILE 1013N 0.81 4.35 -0.10 2.22 -4.36 0.46 -0.74 121.20 123.84 3fq4 s ILE 1013Ca -0.06 -0.96 0.02 0.00 -0.26 0.00 0.00 60.65 59.39 3fq4 s ILE 1013Cb -0.15 -3.14 0.01 0.00 1.25 0.00 0.00 42.46 40.43 3fq4 s ILE 1013CO -0.00 0.03 -0.16 -0.60 0.24 0.00 0.00 174.94 174.44 3fq4 s ARG 1014N -2.65 2.25 0.34 0.37 3.52 -0.27 -1.47 118.95 121.04 3fq4 s ARG 1014Ca 0.29 -0.58 0.09 0.00 -0.13 0.00 0.00 55.73 55.40 3fq4 s ARG 1014Cb -0.11 -1.85 -0.06 0.00 -1.56 0.00 0.00 34.95 31.37 3fq4 s ARG 1014CO 0.21 0.00 -0.06 1.03 -0.81 0.00 0.00 175.30 175.68 3fq4 s ARG 1015N 0.79 1.91 -1.15 5.12 0.52 0.19 -4.67 118.95 121.66 3fq4 s ARG 1015Ca -0.11 -1.87 -0.15 0.00 -0.52 0.00 0.00 55.73 53.08 3fq4 s ARG 1015Cb -0.16 -1.79 -0.02 0.00 0.52 0.00 0.00 34.95 33.51 3fq4 s ARG 1015CO 0.02 0.14 0.80 0.28 0.02 0.00 0.00 175.30 176.55 3fq4 n VAL 1016N -0.85 -6.29 -2.18 3.52 0.31 -1.26 -1.18 118.33 110.40 3fq4 n VAL 1016Ca -0.05 -0.98 -0.42 0.00 -0.01 0.00 0.00 64.34 62.88 3fq4 n VAL 1016Cb 0.63 -4.66 -0.03 0.00 -0.91 0.00 0.00 33.84 28.87 3fq4 n VAL 1016CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3fq4 s LEU 1017N -6.30 4.38 0.17 7.52 1.02 -1.26 -0.45 118.68 123.77 3fq4 s LEU 1017Ca 0.41 2.36 0.22 0.00 0.02 0.00 0.00 54.13 57.14 3fq4 s LEU 1017Cb -0.13 -3.59 -0.05 0.00 0.02 0.00 0.00 46.19 42.44 3fq4 s LEU 1017CO 0.83 -0.62 0.96 -0.67 0.02 0.00 0.00 176.35 176.88 3fq4 n ASP 1018N 3.55 0.76 0.00 2.29 2.03 -1.26 -4.88 116.55 119.03 3fq4 n ASP 1018Ca 0.10 0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.70 3fq4 n ASP 1018Cb 0.42 0.59 0.00 0.00 -0.72 0.00 0.00 41.12 41.42 3fq4 n ASP 1018CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3fq4 n GLY 1019N 1.21 1.17 0.00 0.27 0.00 -1.26 -5.12 105.19 101.46 3fq4 n GLY 1019Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3fq4 n GLY 1019CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fq4 n GLY 1020N 0.00 3.80 3.88 -0.02 0.00 -1.26 -4.66 105.19 106.93 3fq4 n GLY 1020Ca 0.00 -2.16 -0.30 0.00 0.00 0.00 0.00 46.02 43.55 3fq4 n GLY 1020CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fq4 s LYS 1021N -1.51 3.54 -0.01 1.61 -2.85 -1.26 -4.07 119.74 115.18 3fq4 s LYS 1021Ca 0.00 0.64 -0.04 0.00 -1.00 0.00 0.00 55.97 55.56 3fq4 s LYS 1021Cb 0.00 -2.12 -0.00 0.00 -2.06 0.00 0.00 37.83 33.65 3fq4 s LYS 1021CO 0.00 -0.55 0.09 -1.12 0.10 0.00 0.00 175.35 173.87 3fq4 s SER 1022N -4.18 0.03 0.02 0.03 0.01 -0.41 -4.73 113.70 104.46 3fq4 s SER 1022Ca 0.54 -0.13 0.02 0.00 1.31 0.00 0.00 55.95 57.70 3fq4 s SER 1022Cb -0.11 0.19 -0.02 0.00 0.21 0.00 0.00 66.02 66.29 3fq4 s SER 1022CO 0.52 -0.24 -0.07 -1.58 0.41 0.00 0.00 173.24 172.28 3fq4 s GLN 1023N -0.90 0.51 0.10 12.44 0.74 -0.94 -0.44 119.66 131.17 3fq4 s GLN 1023Ca -0.10 -0.51 0.02 0.00 0.05 0.00 0.00 55.36 54.82 3fq4 s GLN 1023Cb -0.06 -0.39 -0.04 0.00 1.10 0.00 0.00 33.01 33.62 3fq4 s GLN 1023CO 0.00 0.09 -0.07 0.14 -0.55 0.00 0.00 175.29 174.91 3fq4 s VAL 1024N -0.80 0.72 0.23 1.34 -7.23 -0.56 -0.46 120.40 113.63 3fq4 s VAL 1024Ca -0.04 -1.89 -0.00 0.00 -1.81 0.00 0.00 61.98 58.23 3fq4 s VAL 1024Cb -0.06 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 3fq4 s VAL 1024CO 0.00 -0.84 0.41 -0.44 -0.31 0.00 0.00 175.10 173.93 3fq4 s SER 1025N -2.96 6.37 0.03 4.85 0.01 0.52 -0.59 113.70 121.93 3fq4 s SER 1025Ca 0.11 0.39 -0.01 0.00 1.31 0.00 0.00 55.95 57.76 3fq4 s SER 1025Cb 0.04 -2.01 -0.03 0.00 0.21 0.00 0.00 66.02 64.24 3fq4 s SER 1025CO -0.04 -0.08 -0.02 -0.72 0.41 0.00 0.00 173.24 172.78 3fq4 s TYR 1026N -1.94 0.35 -0.05 2.43 -0.85 -0.13 -1.05 117.35 116.11 3fq4 s TYR 1026Ca 0.38 -0.71 -0.20 0.00 -0.52 0.00 0.00 57.07 56.02 3fq4 s TYR 1026Cb -0.11 -0.26 0.04 0.00 0.38 0.00 0.00 41.96 42.02 3fq4 s TYR 1026CO 0.30 -0.26 0.44 -0.98 -1.52 0.00 0.00 175.55 173.53 3fq4 s ARG 1027N -2.35 0.76 0.70 -3.49 1.70 -0.50 -1.57 118.95 114.20 3fq4 s ARG 1027Ca -0.08 0.08 -0.11 0.00 -0.47 0.00 0.00 55.73 55.16 3fq4 s ARG 1027Cb -0.03 0.35 0.01 0.00 -0.57 0.00 0.00 34.95 34.71 3fq4 s ARG 1027CO -0.04 -0.20 1.06 0.95 -1.08 0.00 0.00 175.30 175.99 3fq4 s THR 1028N -1.01 3.93 -0.13 4.99 -4.23 -0.49 -0.83 115.64 117.87 3fq4 s THR 1028Ca -0.10 0.63 -0.10 0.00 -1.18 0.00 0.00 61.69 60.94 3fq4 s THR 1028Cb -0.03 -3.33 0.04 0.00 1.34 0.00 0.00 72.50 70.51 3fq4 s THR 1028CO 0.05 -0.81 0.32 -1.58 -0.54 0.00 0.00 174.62 172.06 3fq4 s GLN 1029N -5.01 0.35 0.49 3.99 0.74 0.04 -4.88 119.66 115.38 3fq4 s GLN 1029Ca 0.59 0.52 -0.23 0.00 0.05 0.00 0.00 55.36 56.28 3fq4 s GLN 1029Cb -0.14 0.09 -0.08 0.00 1.10 0.00 0.00 33.01 33.98 3fq4 s GLN 1029CO 0.55 -0.08 1.20 -0.25 -0.55 0.00 0.00 175.29 176.15 3fq4 n ASP 1030N 3.37 2.07 0.00 6.67 8.00 -1.26 -1.17 116.55 134.23 3fq4 n ASP 1030Ca -0.17 1.00 0.00 0.00 0.71 0.00 0.00 54.79 56.34 3fq4 n ASP 1030Cb 0.56 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 3fq4 n ASP 1030CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fq4 n GLY 1031N 0.94 1.94 0.18 0.44 0.00 -1.20 -4.66 105.19 102.81 3fq4 n GLY 1031Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.15 3fq4 n GLY 1031CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3fq4 h THR 1032N 0.00 1.00 -3.46 2.61 1.35 -1.62 -3.41 112.91 109.38 3fq4 h THR 1032Ca 0.00 -1.67 -0.54 0.00 -0.55 0.00 0.00 66.41 63.65 3fq4 h THR 1032Cb 0.00 1.99 -0.04 0.00 -1.73 0.00 0.00 68.15 68.37 3fq4 h THR 1032CO 0.00 0.42 0.16 0.00 -0.25 0.00 0.00 175.52 175.85 3fq4 s ALA 1033N -3.59 3.42 0.01 6.62 0.00 0.00 -4.66 121.76 123.56 3fq4 s ALA 1033Ca -0.00 0.30 0.06 0.00 0.00 0.00 0.00 51.96 52.32 3fq4 s ALA 1033Cb 0.11 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 20.26 3fq4 s ALA 1033CO 0.70 0.18 -0.19 -0.65 0.00 0.00 0.00 175.76 175.80 3fq4 s GLN 1034N -0.58 1.43 0.35 0.00 -0.21 -1.26 -4.54 119.66 114.85 3fq4 s GLN 1034Ca 0.37 -0.79 -0.28 0.00 0.02 0.00 0.00 55.36 54.67 3fq4 s GLN 1034Cb -0.22 -1.46 -0.12 0.00 1.00 0.00 0.00 33.01 32.22 3fq4 s GLN 1034CO 0.24 0.39 1.37 0.41 -2.12 0.00 0.00 175.29 175.58 3fq4 n GLY 1035N 2.24 0.83 3.13 3.09 0.00 -1.26 -0.94 105.19 112.28 3fq4 n GLY 1035Ca -0.16 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3fq4 n GLY 1035CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3fq4 n ASN 1036N 0.66 -1.89 -0.01 1.61 5.15 0.16 -4.71 115.26 116.22 3fq4 n ASN 1036Ca 0.03 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 53.98 3fq4 n ASN 1036Cb 0.37 -1.67 -0.01 0.00 -0.53 0.00 0.00 39.78 37.94 3fq4 n ASN 1036CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 3fq4 n ARG 1037N -1.53 0.07 -0.02 1.20 0.63 -0.64 -4.91 116.66 111.47 3fq4 n ARG 1037Ca 0.00 0.03 0.02 0.00 -0.92 0.00 0.00 57.85 56.98 3fq4 n ARG 1037Cb 0.11 -0.62 -0.09 0.00 0.45 0.00 0.00 32.46 32.31 3fq4 n ARG 1037CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3fq4 n ASP 1038N -3.21 2.44 -3.73 6.15 9.92 -0.11 -4.67 116.55 123.33 3fq4 n ASP 1038Ca -0.06 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.11 3fq4 n ASP 1038Cb 0.49 1.28 -0.03 0.00 -0.64 0.00 0.00 41.12 42.22 3fq4 n ASP 1038CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 3fq4 s TYR 1039N -2.61 -0.20 -0.28 1.24 1.13 -1.23 -1.76 117.35 113.63 3fq4 s TYR 1039Ca -0.04 -0.15 -0.11 0.00 -1.41 0.00 0.00 57.07 55.35 3fq4 s TYR 1039Cb 0.06 0.52 -0.05 0.00 -1.10 0.00 0.00 41.96 41.39 3fq4 s TYR 1039CO 0.45 -1.02 0.18 0.42 -2.51 0.00 0.00 175.55 173.08 3fq4 s ILE 1040N -3.87 5.23 0.51 -3.49 1.01 0.06 -0.67 121.20 119.98 3fq4 s ILE 1040Ca 0.09 0.11 -0.21 0.00 0.00 0.00 0.00 60.65 60.64 3fq4 s ILE 1040Cb -0.03 -3.51 -0.06 0.00 0.01 0.00 0.00 42.46 38.88 3fq4 s ILE 1040CO -0.01 0.24 1.19 -2.84 0.00 0.00 0.00 174.94 173.52 3fq4 s PRO 1041N 1.75 3.48 -0.00 2.79 0.02 -1.26 -4.42 135.00 137.35 3fq4 s PRO 1041Ca 0.07 1.81 -0.22 0.00 0.02 0.00 0.00 61.00 62.68 3fq4 s PRO 1041Cb -0.16 -2.24 0.05 0.00 0.02 0.00 0.00 34.50 32.17 3fq4 s PRO 1041CO 0.10 -0.79 0.48 0.54 -0.33 0.00 0.00 177.00 177.01 3fq4 s VAL 1042N -1.56 0.03 -0.11 3.83 0.11 -1.26 -5.04 120.40 116.40 3fq4 s VAL 1042Ca 0.68 -0.28 -0.19 0.00 -2.93 0.00 0.00 61.98 59.26 3fq4 s VAL 1042Cb -0.30 -0.87 0.04 0.00 -1.53 0.00 0.00 36.38 33.73 3fq4 s VAL 1042CO 0.35 -0.16 0.47 -1.83 -3.33 0.00 0.00 175.10 170.60 3fq4 s GLU 1043N -1.75 0.69 0.00 1.54 4.04 -1.26 -1.39 118.70 120.57 3fq4 s GLU 1043Ca -0.09 0.35 0.00 0.00 0.04 0.00 0.00 54.97 55.26 3fq4 s GLU 1043Cb -0.02 0.32 0.00 0.00 0.02 0.00 0.00 34.13 34.46 3fq4 s GLU 1043CO 0.03 -0.15 0.00 0.41 -1.84 0.00 0.00 175.26 173.71 3fq4 n GLY 1044N 2.02 1.55 3.25 -3.83 0.00 -0.61 -5.00 105.19 102.57 3fq4 n GLY 1044Ca -0.17 -0.59 -0.28 0.00 0.00 0.00 0.00 46.02 44.99 3fq4 n GLY 1044CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fq4 s GLU 1045N 1.19 1.67 -0.21 1.61 0.41 -1.26 -0.96 118.70 121.15 3fq4 s GLU 1045Ca 0.00 -0.86 -0.01 0.00 -0.41 0.00 0.00 54.97 53.69 3fq4 s GLU 1045Cb 0.00 -1.69 0.01 0.00 -1.78 0.00 0.00 34.13 30.68 3fq4 s GLU 1045CO 0.00 0.45 -0.11 -0.51 -0.49 0.00 0.00 175.26 174.60 3fq4 s LEU 1046N -0.77 2.71 -0.31 1.80 1.43 0.24 -4.97 118.68 118.80 3fq4 s LEU 1046Ca 0.09 -0.67 -0.02 0.00 -1.03 0.00 0.00 54.13 52.49 3fq4 s LEU 1046Cb -0.09 -1.61 0.05 0.00 0.03 0.00 0.00 46.19 44.57 3fq4 s LEU 1046CO 0.00 -0.05 0.01 -0.22 0.23 0.00 0.00 176.35 176.33 3fq4 s LEU 1047N 1.35 3.96 -0.12 1.79 2.96 -1.26 -1.49 118.68 125.87 3fq4 s LEU 1047Ca 0.03 -1.26 -0.21 0.00 -0.22 0.00 0.00 54.13 52.47 3fq4 s LEU 1047Cb -0.15 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 3fq4 s LEU 1047CO -0.07 -0.27 0.61 -0.36 -1.32 0.00 0.00 176.35 174.93 3fq4 s PHE 1048N 1.27 3.50 0.58 5.38 0.08 0.41 -4.97 117.98 124.23 3fq4 s PHE 1048Ca -0.05 1.04 0.01 0.00 0.12 0.00 0.00 56.93 58.05 3fq4 s PHE 1048Cb -0.20 -2.72 0.04 0.00 -0.57 0.00 0.00 43.02 39.58 3fq4 s PHE 1048CO -0.01 0.04 0.81 -0.65 -0.10 0.00 0.00 175.22 175.31 3fq4 s GLN 1049N 1.06 2.43 0.22 0.44 -0.21 -1.26 -1.29 119.66 121.05 3fq4 s GLN 1049Ca 0.31 -0.80 -0.32 0.00 0.02 0.00 0.00 55.36 54.58 3fq4 s GLN 1049Cb -0.16 -2.46 -0.14 0.00 1.00 0.00 0.00 33.01 31.25 3fq4 s GLN 1049CO 0.13 -0.82 1.37 -2.30 -2.12 0.00 0.00 175.29 171.56 3fq4 n PRO 1050N -2.42 1.88 0.00 2.91 -0.02 -1.26 -1.92 135.00 134.17 3fq4 n PRO 1050Ca 0.09 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3fq4 n PRO 1050Cb 0.60 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3fq4 n PRO 1050CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fq4 n GLY 1051N 2.21 3.24 3.70 -1.23 0.00 -1.26 -5.02 105.19 106.83 3fq4 n GLY 1051Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3fq4 n GLY 1051CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fq4 s GLU 1052N -0.51 4.32 -0.00 1.61 2.02 -0.81 -4.91 118.70 120.42 3fq4 s GLU 1052Ca 0.00 1.92 0.12 0.00 0.02 0.00 0.00 54.97 57.03 3fq4 s GLU 1052Cb 0.00 -3.49 -0.15 0.00 0.10 0.00 0.00 34.13 30.59 3fq4 s GLU 1052CO 0.00 -0.50 0.45 0.00 0.02 0.00 0.00 175.26 175.24 3fq4 n ALA 1053N 4.95 3.29 -3.50 5.21 0.00 -1.26 -4.76 120.51 124.44 3fq4 n ALA 1053Ca 0.12 -0.33 -0.14 0.00 0.00 0.00 0.00 53.44 53.09 3fq4 n ALA 1053Cb 0.44 -0.44 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3fq4 n ALA 1053CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 3fq4 s TRP 1054N -2.32 -0.55 0.07 0.00 1.48 -1.26 -1.12 118.94 115.24 3fq4 s TRP 1054Ca 0.02 0.73 0.02 0.00 -1.06 0.00 0.00 56.10 55.82 3fq4 s TRP 1054Cb 0.09 0.47 -0.03 0.00 -1.16 0.00 0.00 33.47 32.84 3fq4 s TRP 1054CO 0.50 -0.63 -0.08 0.15 -4.06 0.00 0.00 176.95 172.84 3fq4 s LYS 1055N -2.09 0.69 -0.21 3.25 1.02 0.08 -4.99 119.74 117.49 3fq4 s LYS 1055Ca -0.05 -1.03 -0.04 0.00 0.02 0.00 0.00 55.97 54.87 3fq4 s LYS 1055Cb -0.00 -0.29 -0.02 0.00 -0.52 0.00 0.00 37.83 37.00 3fq4 s LYS 1055CO 0.00 0.03 -0.02 -2.00 -0.92 0.00 0.00 175.35 172.44 3fq4 s GLU 1056N -2.59 3.51 0.03 1.68 2.12 -1.26 -0.64 118.70 121.54 3fq4 s GLU 1056Ca 0.00 -0.57 -0.18 0.00 0.36 0.00 0.00 54.97 54.58 3fq4 s GLU 1056Cb -0.03 -3.04 -0.06 0.00 0.26 0.00 0.00 34.13 31.25 3fq4 s GLU 1056CO -0.02 -0.08 0.52 -0.51 -0.54 0.00 0.00 175.26 174.63 3fq4 s LEU 1057N 1.20 4.49 -0.13 2.70 1.43 0.24 -4.86 118.68 123.75 3fq4 s LEU 1057Ca 0.03 1.13 -0.01 0.00 -1.03 0.00 0.00 54.13 54.25 3fq4 s LEU 1057Cb -0.14 -2.79 -0.02 0.00 0.03 0.00 0.00 46.19 43.26 3fq4 s LEU 1057CO 0.00 0.26 -0.09 -1.10 0.23 0.00 0.00 176.35 175.65 3fq4 s GLN 1058N -0.91 3.39 -0.11 1.70 -0.21 -1.26 -0.22 119.66 122.03 3fq4 s GLN 1058Ca 0.27 -0.62 0.03 0.00 0.02 0.00 0.00 55.36 55.07 3fq4 s GLN 1058Cb -0.18 -2.71 0.01 0.00 1.00 0.00 0.00 33.01 31.12 3fq4 s GLN 1058CO 0.17 0.28 -0.22 0.08 -2.12 0.00 0.00 175.29 173.48 3fq4 s VAL 1059N 0.20 1.95 0.26 1.09 1.01 -0.62 -4.97 120.40 119.33 3fq4 s VAL 1059Ca -0.06 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 60.69 3fq4 s VAL 1059Cb -0.15 -1.71 -0.09 0.00 0.00 0.00 0.00 36.38 34.43 3fq4 s VAL 1059CO 0.04 0.53 1.15 -0.54 0.00 0.00 0.00 175.10 176.29 3fq4 s LYS 1060N 0.60 4.56 0.19 2.72 1.02 -1.26 -0.39 119.74 127.18 3fq4 s LYS 1060Ca -0.13 1.88 0.05 0.00 0.02 0.00 0.00 55.97 57.79 3fq4 s LYS 1060Cb -0.17 -3.19 -0.04 0.00 -0.52 0.00 0.00 37.83 33.92 3fq4 s LYS 1060CO 0.03 0.08 0.20 -0.51 -0.92 0.00 0.00 175.35 174.23 3fq4 s LEU 1061N -1.18 3.95 -0.03 3.17 1.43 -0.19 -0.76 118.68 125.07 3fq4 s LEU 1061Ca 0.47 -0.09 0.06 0.00 -1.03 0.00 0.00 54.13 53.54 3fq4 s LEU 1061Cb -0.33 -2.52 -0.01 0.00 0.03 0.00 0.00 46.19 43.35 3fq4 s LEU 1061CO 0.42 0.03 -0.22 -0.76 0.23 0.00 0.00 176.35 176.04 3fq4 s LEU 1062N -3.40 2.02 0.06 1.79 1.43 -0.72 -4.69 118.68 115.17 3fq4 s LEU 1062Ca 0.32 -0.41 -0.19 0.00 -1.03 0.00 0.00 54.13 52.82 3fq4 s LEU 1062Cb -0.10 -1.15 -0.06 0.00 0.03 0.00 0.00 46.19 44.91 3fq4 s LEU 1062CO 0.25 0.24 0.54 -1.61 0.23 0.00 0.00 176.35 176.01 3fq4 s GLU 1063N -0.33 4.16 0.00 1.70 2.02 -1.26 -4.67 118.70 120.32 3fq4 s GLU 1063Ca 0.03 0.68 0.00 0.00 0.02 0.00 0.00 54.97 55.71 3fq4 s GLU 1063Cb -0.10 -3.24 0.00 0.00 0.10 0.00 0.00 34.13 30.89 3fq4 s GLU 1063CO 0.01 0.63 0.00 1.28 0.02 0.00 0.00 175.26 177.20 3fq4 n LEU 1064N 1.80 0.00 0.00 1.80 4.77 -1.26 -5.05 117.00 119.05 3fq4 n LEU 1064Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 3fq4 n LEU 1064Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3fq4 n LEU 1064CO 0.41 0.00 0.09 -1.20 -1.33 0.00 0.00 177.39 175.36 3fq4 n SER 1069N 0.00 0.36 0.00 -1.43 7.64 -1.26 -5.22 113.62 113.71 3fq4 n SER 1069Ca 0.00 -0.69 0.14 0.00 1.01 0.00 0.00 58.87 59.33 3fq4 n SER 1069Cb 0.00 0.32 0.65 0.00 -1.01 0.00 0.00 64.21 64.17 3fq4 n SER 1069CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3fq4 n LEU 1070N -0.32 0.00 -0.42 -3.43 4.77 -1.26 -3.45 117.00 112.89 3fq4 n LEU 1070Ca 0.00 0.41 0.10 0.00 -0.03 0.00 0.00 56.01 56.49 3fq4 n LEU 1070Cb 0.04 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 40.71 3fq4 n LEU 1070CO 0.00 -0.02 0.26 0.18 -1.33 0.00 0.00 177.39 176.48 3fq4 n LEU 1071N -1.41 1.84 -4.70 2.23 4.77 -1.26 -4.97 117.00 113.50 3fq4 n LEU 1071Ca 0.10 -0.74 -0.42 0.00 -0.03 0.00 0.00 56.01 54.92 3fq4 n LEU 1071Cb 0.29 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 3fq4 n LEU 1071CO 0.24 0.35 1.32 -0.13 -1.33 0.00 0.00 177.39 177.84 3fq4 s ARG 1072N -2.40 4.20 0.00 3.23 0.52 -1.22 -1.36 118.95 121.92 3fq4 s ARG 1072Ca 0.16 2.37 0.00 0.00 -0.52 0.00 0.00 55.73 57.74 3fq4 s ARG 1072Cb 0.17 -3.47 0.00 0.00 0.52 0.00 0.00 34.95 32.17 3fq4 s ARG 1072CO 0.56 -0.71 0.00 0.41 0.02 0.00 0.00 175.30 175.58 3fq4 n GLY 1073N 3.95 1.05 0.51 -3.53 0.00 -1.26 -4.88 105.19 101.03 3fq4 n GLY 1073Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.22 3fq4 n GLY 1073CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fq4 n ARG 1074N -1.94 0.54 -3.60 1.61 1.74 -0.46 -4.73 116.66 109.82 3fq4 n ARG 1074Ca 0.00 -1.84 -0.37 0.00 -0.77 0.00 0.00 57.85 54.88 3fq4 n ARG 1074Cb 0.00 -0.85 -0.07 0.00 -1.02 0.00 0.00 32.46 30.52 3fq4 n ARG 1074CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3fq4 s GLN 1075N -1.19 4.08 -0.03 5.56 0.74 -1.18 -5.04 119.66 122.60 3fq4 s GLN 1075Ca 0.18 0.07 -0.01 0.00 0.05 0.00 0.00 55.36 55.65 3fq4 s GLN 1075Cb 0.17 -3.36 0.03 0.00 1.10 0.00 0.00 33.01 30.95 3fq4 s GLN 1075CO -0.02 0.38 0.06 0.08 -0.55 0.00 0.00 175.29 175.24 3fq4 s VAL 1076N 0.03 -0.05 0.06 1.34 1.01 -1.26 -2.69 120.40 118.85 3fq4 s VAL 1076Ca 0.16 0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.29 3fq4 s VAL 1076Cb -0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 3fq4 s VAL 1076CO 0.04 0.08 0.04 -0.13 0.00 0.00 0.00 175.10 175.13 3fq4 s ARG 1077N 0.99 0.67 -0.05 2.72 0.52 -0.92 -4.99 118.95 117.89 3fq4 s ARG 1077Ca -0.08 -1.10 -0.07 0.00 -0.52 0.00 0.00 55.73 53.96 3fq4 s ARG 1077Cb -0.11 0.25 0.01 0.00 0.52 0.00 0.00 34.95 35.62 3fq4 s ARG 1077CO -0.03 -0.16 0.17 -0.98 0.02 0.00 0.00 175.30 174.32 3fq4 s ARG 1078N -3.77 0.31 0.48 3.54 1.70 -1.26 0.07 118.95 120.02 3fq4 s ARG 1078Ca 0.05 0.04 0.02 0.00 -0.47 0.00 0.00 55.73 55.38 3fq4 s ARG 1078Cb 0.06 0.14 -0.01 0.00 -0.57 0.00 0.00 34.95 34.57 3fq4 s ARG 1078CO -0.10 -0.06 0.06 -0.59 -1.08 0.00 0.00 175.30 173.54 3fq4 s PHE 1079N -0.40 1.79 0.12 5.89 -0.12 -0.46 -0.82 117.98 123.99 3fq4 s PHE 1079Ca -0.05 -1.14 0.06 0.00 -0.05 0.00 0.00 56.93 55.76 3fq4 s PHE 1079Cb -0.03 -1.39 -0.04 0.00 -0.63 0.00 0.00 43.02 40.93 3fq4 s PHE 1079CO 0.01 -0.04 -0.15 -1.01 -0.05 0.00 0.00 175.22 173.98 3fq4 s HIS 1080N -3.02 1.46 -0.04 3.49 3.76 -0.32 -0.04 115.29 120.59 3fq4 s HIS 1080Ca 0.12 -0.53 0.02 0.00 -0.15 0.00 0.00 55.06 54.52 3fq4 s HIS 1080Cb 0.01 -0.76 0.01 0.00 1.11 0.00 0.00 32.58 32.95 3fq4 s HIS 1080CO 0.07 0.17 -0.09 0.08 -0.85 0.00 0.00 174.74 174.12 3fq4 s VAL 1081N -2.05 0.82 -0.03 -0.90 1.01 -0.49 -0.78 120.40 117.99 3fq4 s VAL 1081Ca 0.09 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.78 3fq4 s VAL 1081Cb -0.05 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 3fq4 s VAL 1081CO 0.03 0.27 -0.22 -1.10 0.00 0.00 0.00 175.10 174.08 3fq4 s GLN 1082N 0.38 1.93 0.11 2.72 -0.21 -0.01 -1.11 119.66 123.47 3fq4 s GLN 1082Ca -0.06 -0.79 -0.03 0.00 0.02 0.00 0.00 55.36 54.49 3fq4 s GLN 1082Cb -0.11 -1.80 -0.05 0.00 1.00 0.00 0.00 33.01 32.06 3fq4 s GLN 1082CO 0.01 0.43 0.32 -0.51 -2.12 0.00 0.00 175.29 173.42 3fq4 s LEU 1083N -0.39 4.30 0.00 2.90 1.43 -0.27 -1.41 118.68 125.25 3fq4 s LEU 1083Ca 0.05 0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 53.51 3fq4 s LEU 1083Cb -0.10 -3.17 0.05 0.00 0.03 0.00 0.00 46.19 43.00 3fq4 s LEU 1083CO 0.00 0.10 0.69 -1.54 0.23 0.00 0.00 176.35 175.83 3fq4 n SER 1084N 0.19 -2.01 -3.83 2.29 3.41 -0.21 -4.91 113.62 108.55 3fq4 n SER 1084Ca -0.04 -2.45 -0.28 0.00 -0.26 0.00 0.00 58.87 55.84 3fq4 n SER 1084Cb 0.52 3.36 0.01 0.00 -0.26 0.00 0.00 64.21 67.83 3fq4 n SER 1084CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3fq4 n ASN 1085N -1.49 -2.41 -4.76 4.04 3.02 -1.26 -0.35 115.26 112.05 3fq4 n ASN 1085Ca -0.07 -1.01 -0.41 0.00 -0.03 0.00 0.00 54.58 53.06 3fq4 n ASN 1085Cb 0.53 -3.22 -0.02 0.00 -0.61 0.00 0.00 39.78 36.46 3fq4 n ASN 1085CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3fq4 s PRO 1086N -6.32 4.38 0.14 3.52 0.04 -1.26 -3.87 135.00 131.63 3fq4 s PRO 1086Ca 0.20 2.16 0.02 0.00 0.04 0.00 0.00 61.00 63.42 3fq4 s PRO 1086Cb -0.07 -3.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 3fq4 s PRO 1086CO 0.87 -0.18 -0.04 0.15 0.04 0.00 0.00 177.00 177.85 3fq4 s LYS 1087N -1.34 0.99 -1.15 4.56 1.02 0.39 -4.80 119.74 119.41 3fq4 s LYS 1087Ca 0.51 -1.44 0.00 0.00 0.02 0.00 0.00 55.97 55.05 3fq4 s LYS 1087Cb -0.39 -0.27 0.00 0.00 -0.52 0.00 0.00 37.83 36.65 3fq4 s LYS 1087CO 0.48 -0.07 0.00 1.19 -0.92 0.00 0.00 175.35 176.04 3fq4 n PHE 1088N -0.15 -0.59 -0.22 3.18 3.72 -1.26 -2.21 117.46 119.92 3fq4 n PHE 1088Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 3fq4 n PHE 1088Cb 0.62 -2.86 0.00 0.00 -0.94 0.00 0.00 39.48 36.30 3fq4 n PHE 1088CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fq4 n GLY 1089N -1.03 0.61 3.76 1.37 0.00 -1.26 -4.68 105.19 103.96 3fq4 n GLY 1089Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 3fq4 n GLY 1089CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fq4 s ALA 1090N -2.44 2.23 0.06 4.61 0.00 -1.09 -4.74 121.76 120.39 3fq4 s ALA 1090Ca 0.00 0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.33 3fq4 s ALA 1090Cb 0.00 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 3fq4 s ALA 1090CO 0.00 -1.77 -0.08 -1.01 0.00 0.00 0.00 175.76 172.91 3fq4 s HIS 1091N -2.78 0.75 -0.12 0.00 3.76 -0.70 -4.55 115.29 111.65 3fq4 s HIS 1091Ca 0.63 -0.59 -0.18 0.00 -0.15 0.00 0.00 55.06 54.76 3fq4 s HIS 1091Cb -0.18 -0.44 -0.04 0.00 1.11 0.00 0.00 32.58 33.02 3fq4 s HIS 1091CO 0.54 -0.09 0.48 -0.51 -0.85 0.00 0.00 174.74 174.31 3fq4 s LEU 1092N -1.92 4.28 0.00 0.89 1.43 -1.26 -0.12 118.68 121.97 3fq4 s LEU 1092Ca -0.05 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 3fq4 s LEU 1092Cb -0.07 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.46 3fq4 s LEU 1092CO -0.01 -0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.18 3fq4 n GLY 1093N 3.27 2.02 3.36 -3.19 0.00 0.39 -4.83 105.19 106.21 3fq4 n GLY 1093Ca -0.07 -2.11 -0.33 0.00 0.00 0.00 0.00 46.02 43.51 3fq4 n GLY 1093CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fq4 s GLN 1094N -0.90 3.34 0.14 1.61 -1.52 -1.26 -2.60 119.66 118.47 3fq4 s GLN 1094Ca 0.00 -0.70 -0.23 0.00 -1.95 0.00 0.00 55.36 52.48 3fq4 s GLN 1094Cb 0.00 -2.60 -0.08 0.00 -0.22 0.00 0.00 33.01 30.11 3fq4 s GLN 1094CO 0.00 0.22 0.70 -1.25 -0.25 0.00 0.00 175.29 174.71 3fq4 s PRO 1095N 0.32 4.41 0.00 2.91 0.04 -1.26 -4.89 135.00 136.53 3fq4 s PRO 1095Ca -0.11 0.98 0.23 0.00 0.04 0.00 0.00 61.00 62.14 3fq4 s PRO 1095Cb -0.16 -3.22 0.22 0.00 0.04 0.00 0.00 34.50 31.38 3fq4 s PRO 1095CO 0.06 0.58 1.25 -2.39 0.04 0.00 0.00 177.00 176.54 3fq4 n HIS 1096N 1.55 0.08 -3.85 0.56 1.44 -1.07 -1.16 115.22 112.78 3fq4 n HIS 1096Ca -0.07 -0.04 -0.12 0.00 -2.01 0.00 0.00 57.72 55.47 3fq4 n HIS 1096Cb 0.50 -0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.47 3fq4 n HIS 1096CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 3fq4 s SER 1097N -1.83 -0.03 0.19 4.39 1.04 -1.26 -1.11 113.70 115.09 3fq4 s SER 1097Ca 0.29 0.07 0.06 0.00 0.48 0.00 0.00 55.95 56.84 3fq4 s SER 1097Cb 0.20 0.06 -0.05 0.00 0.10 0.00 0.00 66.02 66.33 3fq4 s SER 1097CO 0.29 -0.02 -0.10 0.28 0.98 0.00 0.00 173.24 174.67 3fq4 s THR 1098N 0.10 1.38 -0.11 2.02 -1.32 -0.27 -4.82 115.64 112.63 3fq4 s THR 1098Ca -0.01 -2.11 0.03 0.00 -1.21 0.00 0.00 61.69 58.39 3fq4 s THR 1098Cb -0.01 -2.03 -0.00 0.00 -1.51 0.00 0.00 72.50 68.94 3fq4 s THR 1098CO -0.00 -0.60 -0.21 -0.89 -2.21 0.00 0.00 174.62 170.70 3fq4 s THR 1099N -3.19 2.29 -0.29 5.08 2.01 -0.29 -1.40 115.64 119.85 3fq4 s THR 1099Ca 0.21 -0.94 -0.09 0.00 0.31 0.00 0.00 61.69 61.18 3fq4 s THR 1099Cb 0.02 -1.90 -0.02 0.00 0.01 0.00 0.00 72.50 70.61 3fq4 s THR 1099CO 0.05 0.55 0.14 -0.63 -0.69 0.00 0.00 174.62 174.04 3fq4 s ILE 1100N 0.33 4.64 -0.30 1.82 -1.09 0.94 -1.03 121.20 126.51 3fq4 s ILE 1100Ca -0.17 -0.27 -0.10 0.00 -2.23 0.00 0.00 60.65 57.88 3fq4 s ILE 1100Cb -0.17 -3.30 -0.02 0.00 -1.58 0.00 0.00 42.46 37.39 3fq4 s ILE 1100CO 0.08 0.16 0.17 -0.63 -1.23 0.00 0.00 174.94 173.49 3fq4 s ILE 1101N 1.64 4.83 -0.34 2.92 1.01 0.33 -1.35 121.20 130.23 3fq4 s ILE 1101Ca 0.05 -0.25 -0.12 0.00 0.00 0.00 0.00 60.65 60.34 3fq4 s ILE 1101Cb -0.16 -3.42 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 3fq4 s ILE 1101CO 0.06 0.11 0.22 -0.63 0.00 0.00 0.00 174.94 174.71 3fq4 s ILE 1102N 1.66 5.06 0.20 2.92 1.01 0.11 -0.61 121.20 131.54 3fq4 s ILE 1102Ca 0.06 -0.35 0.09 0.00 0.00 0.00 0.00 60.65 60.44 3fq4 s ILE 1102Cb -0.17 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 3fq4 s ILE 1102CO 0.08 -0.03 -0.05 -0.13 0.00 0.00 0.00 174.94 174.81 3fq4 s ARG 1103N 1.68 2.22 0.71 2.79 0.52 -0.16 -2.16 118.95 124.55 3fq4 s ARG 1103Ca 0.05 -1.26 -0.13 0.00 -0.52 0.00 0.00 55.73 53.87 3fq4 s ARG 1103Cb -0.18 -2.22 0.03 0.00 0.52 0.00 0.00 34.95 33.10 3fq4 s ARG 1103CO 0.09 0.42 1.10 -0.51 0.02 0.00 0.00 175.30 176.43 3fq4 s ASP 1104N -3.07 4.83 0.23 0.23 1.01 -1.09 -0.77 116.67 118.02 3fq4 s ASP 1104Ca 0.27 1.93 -0.32 0.00 0.71 0.00 0.00 52.55 55.15 3fq4 s ASP 1104Cb -0.08 -2.54 -0.14 0.00 1.01 0.00 0.00 42.92 41.17 3fq4 s ASP 1104CO 0.17 -1.82 1.38 -2.65 0.21 0.00 0.00 175.17 172.47 3fq4 n PRO 1105N -2.90 1.92 -3.02 8.23 -0.02 -1.26 -4.89 135.00 133.06 3fq4 n PRO 1105Ca 0.10 0.68 -0.44 0.00 -2.02 0.00 0.00 63.50 61.82 3fq4 n PRO 1105Cb 0.52 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 3fq4 n PRO 1105CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fq4 s ASP 1106N 0.28 6.43 0.00 2.55 1.01 -1.26 -4.59 116.67 121.09 3fq4 s ASP 1106Ca 0.69 -1.75 0.22 0.00 0.71 0.00 0.00 52.55 52.42 3fq4 s ASP 1106Cb -0.68 -2.35 0.17 0.00 1.01 0.00 0.00 42.92 41.07 3fq4 s ASP 1106CO 0.49 -1.09 1.19 -0.62 0.21 0.00 0.00 175.17 175.36