#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wc3 n HIS 1003N 0.00 0.00 -1.70 7.33 8.25 -1.26 -5.04 115.22 122.79 1wc3 n HIS 1003Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1wc3 n HIS 1003Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 1wc3 n HIS 1003CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1wc3 s MET 1004N -0.29 3.98 0.39 -0.41 0.00 -1.26 -4.93 119.30 116.78 1wc3 s MET 1004Ca 0.00 2.46 -0.23 0.00 0.00 0.00 0.00 55.69 57.91 1wc3 s MET 1004Cb 0.00 -4.18 -0.10 0.00 0.00 0.00 0.00 34.83 30.56 1wc3 s MET 1004CO 0.00 -1.14 1.00 1.03 0.00 0.00 0.00 175.02 175.91 1wc3 s ARG 1005N 4.73 4.26 0.10 4.11 0.52 -1.26 -0.22 118.95 131.19 1wc3 s ARG 1005Ca 0.89 1.36 -0.36 0.00 -0.52 0.00 0.00 55.73 57.09 1wc3 s ARG 1005Cb -0.40 -2.48 -0.16 0.00 0.52 0.00 0.00 34.95 32.43 1wc3 s ARG 1005CO 0.39 -0.03 1.44 -2.30 0.02 0.00 0.00 175.30 174.82 1wc3 n PRO 1006N -0.12 1.53 -3.79 3.54 -0.02 -1.25 -4.62 135.00 130.26 1wc3 n PRO 1006Ca 0.05 0.55 -0.13 0.00 -2.02 0.00 0.00 63.50 61.96 1wc3 n PRO 1006Cb 0.51 -2.24 -0.09 0.00 -0.02 0.00 0.00 33.50 31.66 1wc3 n PRO 1006CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1wc3 s GLU 1007N 0.74 0.64 0.34 -0.52 -1.05 0.35 -4.90 118.70 114.29 1wc3 s GLU 1007Ca 0.83 -0.29 -0.27 0.00 -0.15 0.00 0.00 54.97 55.08 1wc3 s GLU 1007Cb -0.85 0.28 -0.09 0.00 -0.44 0.00 0.00 34.13 33.02 1wc3 s GLU 1007CO 0.44 -0.17 1.15 -1.25 0.95 0.00 0.00 175.26 176.38 1wc3 s PRO 1008N -1.51 4.36 -0.21 -4.83 0.04 -1.26 -0.41 135.00 131.19 1wc3 s PRO 1008Ca -0.13 1.85 -0.27 0.00 0.04 0.00 0.00 61.00 62.49 1wc3 s PRO 1008Cb -0.05 -2.95 0.10 0.00 0.04 0.00 0.00 34.50 31.65 1wc3 s PRO 1008CO 0.03 -0.05 0.90 0.50 0.04 0.00 0.00 177.00 178.42 1wc3 s ARG 1009N -1.87 0.68 -0.33 4.56 3.52 0.21 -4.90 118.95 120.82 1wc3 s ARG 1009Ca 0.50 0.51 -0.27 0.00 -0.13 0.00 0.00 55.73 56.34 1wc3 s ARG 1009Cb -0.32 0.33 0.01 0.00 -1.56 0.00 0.00 34.95 33.41 1wc3 s ARG 1009CO 0.41 -0.14 0.99 -1.17 -0.81 0.00 0.00 175.30 174.58 1wc3 s LEU 1010N -0.31 3.97 0.26 -0.88 2.96 -1.26 -1.25 118.68 122.16 1wc3 s LEU 1010Ca -0.01 0.87 0.01 0.00 -0.22 0.00 0.00 54.13 54.78 1wc3 s LEU 1010Cb -0.03 -3.40 -0.04 0.00 0.50 0.00 0.00 46.19 43.22 1wc3 s LEU 1010CO -0.00 -0.83 0.13 0.27 -1.32 0.00 0.00 176.35 174.59 1wc3 s ILE 1011N 3.50 0.33 -0.16 6.68 -4.36 -0.69 -4.89 121.20 121.61 1wc3 s ILE 1011Ca 0.41 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.81 1wc3 s ILE 1011Cb -0.12 -2.56 0.00 0.00 1.25 0.00 0.00 42.46 41.03 1wc3 s ILE 1011CO 0.16 0.00 -0.16 -0.89 0.24 0.00 0.00 174.94 174.28 1wc3 s THR 1012N -3.81 2.51 -0.15 8.37 2.01 -0.44 -1.18 115.64 122.95 1wc3 s THR 1012Ca 0.38 -0.81 -0.04 0.00 0.31 0.00 0.00 61.69 61.52 1wc3 s THR 1012Cb 0.07 -2.06 -0.03 0.00 0.01 0.00 0.00 72.50 70.49 1wc3 s THR 1012CO 0.15 0.52 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.95 1wc3 s ILE 1013N 0.98 4.13 -0.11 1.82 1.09 0.64 -1.12 121.20 128.62 1wc3 s ILE 1013Ca -0.02 -0.28 0.03 0.00 -1.10 0.00 0.00 60.65 59.28 1wc3 s ILE 1013Cb -0.15 -2.81 0.00 0.00 -1.06 0.00 0.00 42.46 38.44 1wc3 s ILE 1013CO -0.03 0.50 -0.22 -0.22 -0.10 0.00 0.00 174.94 174.86 1wc3 s LEU 1014N 0.24 2.17 -0.08 2.97 0.20 0.27 -1.97 118.68 122.48 1wc3 s LEU 1014Ca -0.01 -0.54 0.04 0.00 0.69 0.00 0.00 54.13 54.31 1wc3 s LEU 1014Cb -0.13 -1.44 0.00 0.00 -0.43 0.00 0.00 46.19 44.18 1wc3 s LEU 1014CO 0.02 0.14 -0.20 -0.36 -0.29 0.00 0.00 176.35 175.67 1wc3 s PHE 1015N 0.44 2.08 0.06 5.38 0.40 -0.58 0.06 117.98 125.83 1wc3 s PHE 1015Ca -0.16 -0.77 0.03 0.00 -0.60 0.00 0.00 56.93 55.44 1wc3 s PHE 1015Cb -0.17 -1.42 -0.03 0.00 0.51 0.00 0.00 43.02 41.91 1wc3 s PHE 1015CO 0.07 -0.31 -0.10 -1.54 0.70 0.00 0.00 175.22 174.03 1wc3 s SER 1016N 0.32 1.23 -0.05 1.36 1.04 0.07 -0.70 113.70 116.97 1wc3 s SER 1016Ca -0.13 -0.63 -0.21 0.00 0.48 0.00 0.00 55.95 55.45 1wc3 s SER 1016Cb -0.16 0.01 0.04 0.00 0.10 0.00 0.00 66.02 66.01 1wc3 s SER 1016CO 0.06 -0.18 0.47 -0.62 0.98 0.00 0.00 173.24 173.95 1wc3 s ASP 1017N -1.83 -0.41 0.23 7.02 2.15 -0.18 -0.15 116.67 123.51 1wc3 s ASP 1017Ca -0.04 0.45 0.10 0.00 0.43 0.00 0.00 52.55 53.49 1wc3 s ASP 1017Cb -0.08 0.50 -0.04 0.00 -0.30 0.00 0.00 42.92 42.99 1wc3 s ASP 1017CO 0.01 -0.47 -0.11 0.27 -0.17 0.00 0.00 175.17 174.70 1wc3 s ILE 1018N -1.04 3.00 -0.05 4.11 -4.36 -1.26 -1.38 121.20 120.21 1wc3 s ILE 1018Ca -0.11 -1.97 0.02 0.00 -0.26 0.00 0.00 60.65 58.33 1wc3 s ILE 1018Cb -0.03 -2.54 0.01 0.00 1.25 0.00 0.00 42.46 41.15 1wc3 s ILE 1018CO 0.06 -0.27 -0.10 -0.69 0.24 0.00 0.00 174.94 174.18 1wc3 s VAL 1019N -2.10 0.96 0.00 8.37 1.01 -0.05 -4.78 120.40 123.81 1wc3 s VAL 1019Ca 0.28 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1wc3 s VAL 1019Cb -0.07 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.42 1wc3 s VAL 1019CO 0.16 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1wc3 n GLY 1020N 3.76 0.92 0.07 4.51 0.00 -1.26 -1.31 105.19 111.87 1wc3 n GLY 1020Ca -0.23 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 1wc3 n GLY 1020CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1wc3 h PHE 1021N 0.00 -0.03 -0.20 1.61 3.57 -1.96 -1.03 116.94 118.90 1wc3 h PHE 1021Ca 0.00 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1wc3 h PHE 1021Cb 0.00 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 1wc3 h PHE 1021CO 0.00 0.48 0.02 1.15 -2.23 0.00 0.00 178.31 177.72 1wc3 h THR 1022N -0.55 0.88 -0.38 4.41 2.02 -1.96 0.33 112.91 117.67 1wc3 h THR 1022Ca -0.00 -0.03 0.03 0.00 0.77 0.00 0.00 66.41 67.17 1wc3 h THR 1022Cb 0.52 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 1wc3 h THR 1022CO 0.00 0.02 0.19 -0.09 0.37 0.00 0.00 175.52 176.01 1wc3 h ARG 1023N 0.09 0.38 -0.46 6.66 9.65 -1.99 -1.17 114.38 127.54 1wc3 h ARG 1023Ca 0.09 -0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 58.88 1wc3 h ARG 1023Cb 0.10 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.58 1wc3 h ARG 1023CO -0.14 0.25 -0.02 1.98 2.80 0.00 0.00 179.97 184.84 1wc3 h MET 1024N 0.39 0.77 0.00 0.20 4.05 -0.73 -2.96 114.93 116.64 1wc3 h MET 1024Ca 0.16 -0.21 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1wc3 h MET 1024Cb 0.06 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.77 1wc3 h MET 1024CO -0.11 0.79 0.00 -1.13 0.23 0.00 0.00 176.91 176.69 1wc3 n SER 1025N -4.21 0.47 0.19 1.39 3.41 0.11 -3.02 113.62 111.96 1wc3 n SER 1025Ca 0.02 0.55 0.05 0.00 -0.26 0.00 0.00 58.87 59.22 1wc3 n SER 1025Cb 0.30 -0.67 0.39 0.00 -0.26 0.00 0.00 64.21 63.98 1wc3 n SER 1025CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wc3 h ASN 1026N 0.00 0.00 -0.09 4.04 -1.07 -1.05 -2.38 115.58 115.03 1wc3 h ASN 1026Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.37 1wc3 h ASN 1026Cb 0.62 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.87 1wc3 h ASN 1026CO 0.00 0.36 0.01 0.00 0.07 0.00 0.00 177.43 177.86 1wc3 n ALA 1027N -2.39 2.72 -3.83 4.14 0.00 -1.17 -4.87 120.51 115.12 1wc3 n ALA 1027Ca -0.01 -0.30 -0.14 0.00 0.00 0.00 0.00 53.44 52.99 1wc3 n ALA 1027Cb 0.43 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.81 1wc3 n ALA 1027CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1wc3 n LEU 1028N 0.10 0.00 -4.53 0.00 -0.00 -0.90 -5.09 117.00 106.59 1wc3 n LEU 1028Ca 0.04 -2.17 -0.26 0.00 -0.00 0.00 0.00 56.01 53.62 1wc3 n LEU 1028Cb 0.41 1.45 -0.10 0.00 -0.00 0.00 0.00 43.42 45.18 1wc3 n LEU 1028CO 0.05 -0.41 -0.44 0.00 -0.00 0.00 0.00 177.39 176.59 1wc3 s GLN 1029N -2.80 1.90 0.00 1.47 0.00 -1.26 -4.93 119.66 114.03 1wc3 s GLN 1029Ca 0.25 -1.40 0.00 0.00 -0.00 0.00 0.00 55.36 54.21 1wc3 s GLN 1029Cb 0.01 -2.04 0.00 0.00 0.00 0.00 0.00 33.01 30.98 1wc3 s GLN 1029CO 0.18 0.41 0.00 0.45 0.00 0.00 0.00 175.29 176.33 1wc3 n SER 1030N -0.05 0.00 -0.12 12.60 2.88 -1.26 0.21 113.62 127.88 1wc3 n SER 1030Ca -0.10 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.51 1wc3 n SER 1030Cb 0.56 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 64.42 1wc3 n SER 1030CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1wc3 h GLN 1031N 0.00 0.63 -0.38 -1.46 5.75 -2.00 -0.80 115.11 116.85 1wc3 h GLN 1031Ca 0.00 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.41 1wc3 h GLN 1031Cb 0.00 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 1wc3 h GLN 1031CO 0.00 0.42 0.02 0.78 -2.65 0.00 0.00 178.83 177.40 1wc3 h GLY 1032N 0.65 0.63 0.83 2.39 0.00 0.20 -1.80 103.07 105.97 1wc3 h GLY 1032Ca 0.27 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 1wc3 h GLY 1032CO -0.08 0.34 -0.16 -2.08 0.00 0.00 0.00 176.54 174.57 1wc3 h VAL 1033N 0.56 0.70 -0.96 4.60 2.07 -0.39 -0.91 116.25 121.92 1wc3 h VAL 1033Ca 0.12 -0.32 0.05 0.00 0.82 0.00 0.00 66.70 67.37 1wc3 h VAL 1033Cb 0.32 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 1wc3 h VAL 1033CO 0.01 0.07 0.62 0.00 0.02 0.00 0.00 177.57 178.28 1wc3 h ALA 1034N 0.01 1.30 -0.27 1.67 0.00 -1.38 0.93 119.26 121.52 1wc3 h ALA 1034Ca -0.04 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 1wc3 h ALA 1034Cb 0.44 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1wc3 h ALA 1034CO 0.07 0.44 -0.50 0.93 0.00 0.00 0.00 179.25 180.19 1wc3 h GLU 1035N 1.16 0.75 -0.27 0.00 5.08 -1.27 -0.86 114.58 119.17 1wc3 h GLU 1035Ca 0.40 -0.45 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1wc3 h GLU 1035Cb 0.09 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1wc3 h GLU 1035CO -0.15 1.08 -0.06 1.25 -1.00 0.00 0.00 179.01 180.13 1wc3 h LEU 1036N 0.59 0.52 -0.24 1.33 5.85 -0.59 0.80 115.31 123.57 1wc3 h LEU 1036Ca 0.02 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 1wc3 h LEU 1036Cb 1.08 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 1wc3 h LEU 1036CO 0.11 0.75 0.07 0.25 -0.34 0.00 0.00 178.44 179.28 1wc3 h LEU 1037N 0.27 0.35 -1.10 2.25 6.46 -0.83 -2.47 115.31 120.24 1wc3 h LEU 1037Ca 0.07 -0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.62 1wc3 h LEU 1037Cb 0.52 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.32 1wc3 h LEU 1037CO 0.02 0.46 0.46 0.78 -0.62 0.00 0.00 178.44 179.55 1wc3 h ASN 1038N 0.22 0.96 -0.08 1.25 2.35 -1.08 0.17 115.58 119.37 1wc3 h ASN 1038Ca 0.08 -0.06 0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1wc3 h ASN 1038Cb 0.24 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1wc3 h ASN 1038CO -0.00 0.75 -0.04 -0.08 -1.65 0.00 0.00 177.43 176.41 1wc3 h GLU 1039N 1.09 -0.03 -0.19 0.81 4.81 -0.58 0.33 114.58 120.81 1wc3 h GLU 1039Ca 0.28 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.49 1wc3 h GLU 1039Cb -0.02 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1wc3 h GLU 1039CO -0.05 -0.02 0.04 -0.92 -0.73 0.00 0.00 179.01 177.34 1wc3 h TYR 1040N -0.03 0.33 -0.68 0.92 3.20 -1.01 -2.45 116.97 117.24 1wc3 h TYR 1040Ca 0.04 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1wc3 h TYR 1040Cb 0.09 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 1wc3 h TYR 1040CO -0.15 0.44 0.42 -0.07 -1.64 0.00 0.00 178.16 177.16 1wc3 h LEU 1041N 0.12 0.80 -0.45 2.82 3.38 -0.46 -1.93 115.31 119.59 1wc3 h LEU 1041Ca 0.06 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1wc3 h LEU 1041Cb 0.28 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1wc3 h LEU 1041CO 0.00 0.61 0.25 1.23 0.09 0.00 0.00 178.44 180.62 1wc3 h GLY 1042N 0.95 0.68 0.98 0.83 0.00 -0.14 0.46 103.07 106.83 1wc3 h GLY 1042Ca 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1wc3 h GLY 1042CO -0.05 0.30 0.25 0.83 0.00 0.00 0.00 176.54 177.87 1wc3 h GLU 1043N 0.59 0.62 -0.23 4.80 4.39 -0.97 -1.46 114.58 122.32 1wc3 h GLU 1043Ca 0.16 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 1wc3 h GLU 1043Cb 0.06 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1wc3 h GLU 1043CO -0.03 0.48 0.08 0.52 -1.16 0.00 0.00 179.01 178.90 1wc3 h MET 1044N 0.58 0.36 -0.40 2.33 2.86 -1.07 -2.19 114.93 117.41 1wc3 h MET 1044Ca 0.16 -0.08 -0.11 0.00 -2.06 0.00 0.00 59.70 57.61 1wc3 h MET 1044Cb 0.04 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1wc3 h MET 1044CO -0.03 0.44 -0.19 1.79 1.06 0.00 0.00 176.91 179.98 1wc3 h THR 1045N 0.21 1.27 -0.55 2.22 1.35 -0.84 -2.36 112.91 114.21 1wc3 h THR 1045Ca 0.08 -1.28 -0.01 0.00 -0.55 0.00 0.00 66.41 64.65 1wc3 h THR 1045Cb 0.22 1.16 -0.03 0.00 -1.73 0.00 0.00 68.15 67.78 1wc3 h THR 1045CO -0.00 0.43 0.30 0.03 -0.25 0.00 0.00 175.52 176.02 1wc3 h ARG 1046N 0.68 0.76 -0.43 4.72 3.08 -1.17 0.13 114.38 122.15 1wc3 h ARG 1046Ca 0.10 -0.08 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 1wc3 h ARG 1046Cb 0.68 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1wc3 h ARG 1046CO 0.05 0.56 -0.14 0.00 -1.07 0.00 0.00 179.97 179.37 1wc3 h ALA 1047N 1.56 0.96 -0.11 0.04 0.00 -0.97 -0.48 119.26 120.26 1wc3 h ALA 1047Ca 0.20 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1wc3 h ALA 1047Cb 0.03 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1wc3 h ALA 1047CO -0.03 0.61 -0.17 0.28 0.00 0.00 0.00 179.25 179.94 1wc3 h VAL 1048N 0.71 1.38 -0.69 0.00 2.07 -0.79 -3.05 116.25 115.87 1wc3 h VAL 1048Ca 0.11 -1.40 -0.03 0.00 0.82 0.00 0.00 66.70 66.21 1wc3 h VAL 1048Cb 0.63 2.03 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 1wc3 h VAL 1048CO 0.04 0.40 0.33 0.15 0.02 0.00 0.00 177.57 178.52 1wc3 h PHE 1049N -0.11 0.99 0.00 1.57 3.57 -0.74 0.21 116.94 122.43 1wc3 h PHE 1049Ca 0.01 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 1wc3 h PHE 1049Cb 0.73 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 1wc3 h PHE 1049CO 0.10 0.74 -0.11 0.93 -2.23 0.00 0.00 178.31 177.73 1wc3 h GLU 1050N 0.96 0.00 -0.61 1.11 5.08 -1.14 -1.54 114.58 118.45 1wc3 h GLU 1050Ca 0.24 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.46 1wc3 h GLU 1050Cb 0.12 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.29 1wc3 h GLU 1050CO -0.03 0.11 0.15 0.09 -1.00 0.00 0.00 179.01 178.33 1wc3 n ASN 1051N -3.96 4.75 -2.60 1.42 3.02 -0.90 -4.94 115.26 112.06 1wc3 n ASN 1051Ca -0.02 -3.17 -0.15 0.00 -0.03 0.00 0.00 54.58 51.21 1wc3 n ASN 1051Cb 0.20 -0.70 -0.00 0.00 -0.61 0.00 0.00 39.78 38.67 1wc3 n ASN 1051CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wc3 n GLN 1052N -0.11 -2.51 -2.40 3.52 6.02 -0.58 -4.79 117.38 116.53 1wc3 n GLN 1052Ca 0.35 0.62 -0.24 0.00 -0.01 0.00 0.00 57.00 57.72 1wc3 n GLN 1052Cb 1.25 -5.25 0.08 0.00 1.02 0.00 0.00 30.24 27.34 1wc3 n GLN 1052CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1wc3 s GLY 1053N -2.16 1.75 -0.16 1.08 0.00 0.69 -4.94 107.32 103.58 1wc3 s GLY 1053Ca 0.07 -1.25 -0.01 0.00 0.00 0.00 0.00 44.72 43.53 1wc3 s GLY 1053CO 0.09 -0.82 -0.11 -1.59 0.00 0.00 0.00 173.10 170.67 1wc3 s THR 1054N -3.12 3.12 -0.38 0.90 2.01 0.24 -4.48 115.64 113.93 1wc3 s THR 1054Ca 0.62 -0.62 -0.27 0.00 0.31 0.00 0.00 61.69 61.73 1wc3 s THR 1054Cb -0.09 -2.34 0.02 0.00 0.01 0.00 0.00 72.50 70.10 1wc3 s THR 1054CO 0.43 0.50 0.97 -0.69 -0.69 0.00 0.00 174.62 175.14 1wc3 s VAL 1055N 0.69 4.52 -0.07 3.82 1.01 -1.26 0.25 120.40 129.36 1wc3 s VAL 1055Ca -0.05 1.24 -0.18 0.00 0.00 0.00 0.00 61.98 62.98 1wc3 s VAL 1055Cb -0.15 -4.38 -0.14 0.00 0.00 0.00 0.00 36.38 31.71 1wc3 s VAL 1055CO 0.02 -0.61 0.71 -0.78 0.00 0.00 0.00 175.10 174.44 1wc3 h ASP 1056N 8.55 -0.17 -5.55 3.32 1.82 -1.13 -3.48 116.42 119.79 1wc3 h ASP 1056Ca -0.23 -0.33 0.24 0.00 -0.39 0.00 0.00 57.03 56.33 1wc3 h ASP 1056Cb 1.07 0.04 -0.09 0.00 0.68 0.00 0.00 39.33 41.04 1wc3 h ASP 1056CO 1.01 0.41 0.66 -1.59 -1.61 0.00 0.00 179.24 178.12 1wc3 s LYS 1057N -3.01 0.86 0.11 0.28 -2.85 -1.18 -4.97 119.74 108.99 1wc3 s LYS 1057Ca -0.11 -0.50 0.08 0.00 -1.00 0.00 0.00 55.97 54.44 1wc3 s LYS 1057Cb 0.00 0.28 -0.04 0.00 -2.06 0.00 0.00 37.83 36.01 1wc3 s LYS 1057CO 0.40 -0.40 -0.14 -0.06 0.10 0.00 0.00 175.35 175.25 1wc3 s PHE 1058N -2.69 2.63 -0.44 1.78 2.99 -1.26 -1.72 117.98 119.27 1wc3 s PHE 1058Ca 0.16 -0.21 0.02 0.00 0.00 0.00 0.00 56.93 56.90 1wc3 s PHE 1058Cb 0.01 -1.38 0.15 0.00 0.00 0.00 0.00 43.02 41.80 1wc3 s PHE 1058CO 0.00 0.41 0.29 0.08 -0.00 0.00 0.00 175.22 176.00 1wc3 s VAL 1059N -1.21 1.00 0.00 -0.44 1.01 -0.03 -4.97 120.40 115.76 1wc3 s VAL 1059Ca 0.20 -2.57 0.00 0.00 0.00 0.00 0.00 61.98 59.61 1wc3 s VAL 1059Cb -0.11 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.58 1wc3 s VAL 1059CO 0.12 -1.02 0.00 0.61 0.00 0.00 0.00 175.10 174.81 1wc3 n GLY 1060N 3.30 3.19 1.44 4.51 0.00 -1.26 -1.37 105.19 115.00 1wc3 n GLY 1060Ca 0.16 -0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.10 1wc3 n GLY 1060CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wc3 n ASP 1061N 8.81 4.34 -4.89 1.61 5.68 -1.26 -4.93 116.55 125.91 1wc3 n ASP 1061Ca 0.00 -2.24 -0.31 0.00 -0.50 0.00 0.00 54.79 51.74 1wc3 n ASP 1061Cb 0.00 -0.53 -0.05 0.00 -1.14 0.00 0.00 41.12 39.41 1wc3 n ASP 1061CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wc3 s ALA 1062N -1.45 3.63 -0.02 2.12 0.00 -0.47 -4.15 121.76 121.41 1wc3 s ALA 1062Ca 0.49 -0.41 0.06 0.00 0.00 0.00 0.00 51.96 52.11 1wc3 s ALA 1062Cb 0.29 -2.34 -0.01 0.00 0.00 0.00 0.00 23.12 21.06 1wc3 s ALA 1062CO 0.28 0.47 -0.21 0.42 0.00 0.00 0.00 175.76 176.72 1wc3 s ILE 1063N -1.86 1.65 -0.13 0.00 -1.09 0.79 -0.85 121.20 119.71 1wc3 s ILE 1063Ca 0.45 -0.89 0.02 0.00 -2.23 0.00 0.00 60.65 58.00 1wc3 s ILE 1063Cb -0.11 -1.38 0.01 0.00 -1.58 0.00 0.00 42.46 39.40 1wc3 s ILE 1063CO 0.24 0.47 -0.19 -0.32 -1.23 0.00 0.00 174.94 173.92 1wc3 s MET 1064N -0.43 2.63 0.07 2.79 -2.45 -0.70 -0.75 119.30 120.46 1wc3 s MET 1064Ca 0.07 -0.71 0.06 0.00 -1.25 0.00 0.00 55.69 53.86 1wc3 s MET 1064Cb -0.09 -2.19 -0.03 0.00 1.25 0.00 0.00 34.83 33.78 1wc3 s MET 1064CO -0.00 -0.06 -0.17 0.00 1.05 0.00 0.00 175.02 175.84 1wc3 s ALA 1065N 0.95 1.46 0.06 4.11 0.00 0.11 -0.49 121.76 127.96 1wc3 s ALA 1065Ca -0.05 -1.05 0.09 0.00 0.00 0.00 0.00 51.96 50.95 1wc3 s ALA 1065Cb -0.15 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 1wc3 s ALA 1065CO -0.03 0.27 -0.26 -0.51 0.00 0.00 0.00 175.76 175.24 1wc3 s LEU 1066N -1.59 2.20 -0.13 0.00 1.43 0.14 -0.57 118.68 120.16 1wc3 s LEU 1066Ca 0.03 -0.62 -0.01 0.00 -1.03 0.00 0.00 54.13 52.50 1wc3 s LEU 1066Cb -0.09 -1.22 0.03 0.00 0.03 0.00 0.00 46.19 44.94 1wc3 s LEU 1066CO 0.03 0.23 -0.04 -0.31 0.23 0.00 0.00 176.35 176.49 1wc3 s TYR 1067N -0.86 1.28 0.00 0.29 1.51 -0.28 -0.59 117.35 118.70 1wc3 s TYR 1067Ca 0.11 -0.70 0.00 0.00 -1.01 0.00 0.00 57.07 55.47 1wc3 s TYR 1067Cb -0.10 -1.12 0.00 0.00 -0.11 0.00 0.00 41.96 40.63 1wc3 s TYR 1067CO 0.03 -0.51 0.00 0.41 -1.11 0.00 0.00 175.55 174.37 1wc3 n GLY 1068N 4.99 0.95 3.61 0.71 0.00 -1.26 -1.32 105.19 112.87 1wc3 n GLY 1068Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 1wc3 n GLY 1068CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wc3 s ALA 1069N -2.00 -1.84 0.34 4.61 0.00 -1.26 -4.32 121.76 117.29 1wc3 s ALA 1069Ca 0.00 1.82 0.11 0.00 0.00 0.00 0.00 51.96 53.89 1wc3 s ALA 1069Cb 0.00 -0.99 0.60 0.00 0.00 0.00 0.00 23.12 22.74 1wc3 s ALA 1069CO 0.00 -0.32 1.76 -1.00 0.00 0.00 0.00 175.76 176.21 1wc3 h PRO 1070N 4.22 0.05 -6.72 0.00 0.13 -1.98 -3.43 132.00 124.27 1wc3 h PRO 1070Ca -0.28 -0.02 -0.51 0.00 -0.87 0.00 0.00 66.00 64.32 1wc3 h PRO 1070Cb 1.16 -0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.29 1wc3 h PRO 1070CO 0.15 0.46 0.46 -2.00 -0.23 0.00 0.00 178.00 176.84 1wc3 s GLU 1071N -4.09 4.64 0.75 0.86 2.12 -1.26 -5.01 118.70 116.71 1wc3 s GLU 1071Ca -0.03 1.72 -0.14 0.00 0.36 0.00 0.00 54.97 56.88 1wc3 s GLU 1071Cb 0.14 -3.25 0.05 0.00 0.26 0.00 0.00 34.13 31.33 1wc3 s GLU 1071CO 0.74 0.18 1.18 -2.00 -0.54 0.00 0.00 175.26 174.82 1wc3 s GLU 1072N -0.83 2.09 -0.28 4.30 2.56 -1.26 -4.07 118.70 121.21 1wc3 s GLU 1072Ca 0.47 1.66 -0.21 0.00 0.00 0.00 0.00 54.97 56.89 1wc3 s GLU 1072Cb -0.30 -1.84 0.09 0.00 2.00 0.00 0.00 34.13 34.09 1wc3 s GLU 1072CO 0.37 -1.85 0.81 1.41 -0.56 0.00 0.00 175.26 175.43 1wc3 s MET 1073N -4.07 0.67 0.67 4.30 -2.45 -1.26 -4.86 119.30 112.30 1wc3 s MET 1073Ca 0.72 0.94 -0.17 0.00 -1.25 0.00 0.00 55.69 55.92 1wc3 s MET 1073Cb -0.27 0.25 -0.00 0.00 1.25 0.00 0.00 34.83 36.06 1wc3 s MET 1073CO 0.47 -0.10 1.21 -1.13 1.05 0.00 0.00 175.02 176.51 1wc3 n SER 1074N 3.23 1.62 0.05 1.11 3.41 -1.26 -4.75 113.62 117.03 1wc3 n SER 1074Ca -0.16 0.78 0.06 0.00 -0.26 0.00 0.00 58.87 59.29 1wc3 n SER 1074Cb 0.57 -1.51 0.49 0.00 -0.26 0.00 0.00 64.21 63.49 1wc3 n SER 1074CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1wc3 h PRO 1075N 0.28 0.39 -0.14 4.33 0.11 -1.99 -0.26 132.00 134.72 1wc3 h PRO 1075Ca -0.50 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 65.36 1wc3 h PRO 1075Cb 1.34 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.37 1wc3 h PRO 1075CO 0.51 0.26 -0.80 0.66 -0.21 0.00 0.00 178.00 178.42 1wc3 h SER 1076N 0.40 0.91 -0.21 -2.05 4.64 -2.00 -2.96 113.55 112.27 1wc3 h SER 1076Ca 0.13 -0.60 -0.11 0.00 -0.47 0.00 0.00 61.79 60.74 1wc3 h SER 1076Cb 0.03 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.84 1wc3 h SER 1076CO -0.03 1.40 -0.23 -0.33 -0.87 0.00 0.00 176.83 176.78 1wc3 h GLU 1077N 0.51 0.67 -0.37 4.77 4.39 -1.78 -1.23 114.58 121.55 1wc3 h GLU 1077Ca -0.06 -0.26 0.06 0.00 0.34 0.00 0.00 59.36 59.44 1wc3 h GLU 1077Cb 1.43 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.99 1wc3 h GLU 1077CO 0.16 0.84 0.06 1.96 -1.16 0.00 0.00 179.01 180.87 1wc3 h GLN 1078N 0.59 0.17 -0.25 2.33 4.20 -1.03 -0.32 115.11 120.80 1wc3 h GLN 1078Ca 0.08 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 1wc3 h GLN 1078Cb 0.70 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 1wc3 h GLN 1078CO 0.05 0.11 -0.17 0.28 -0.67 0.00 0.00 178.83 178.44 1wc3 h VAL 1079N 0.18 1.31 0.01 -0.54 2.07 -1.34 -0.82 116.25 117.11 1wc3 h VAL 1079Ca 0.18 -1.29 0.03 0.00 0.82 0.00 0.00 66.70 66.43 1wc3 h VAL 1079Cb 0.21 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1wc3 h VAL 1079CO -0.24 0.40 -0.18 -0.09 0.02 0.00 0.00 177.57 177.48 1wc3 h ARG 1080N 0.27 -0.29 -0.56 1.57 2.43 -0.86 0.21 114.38 117.15 1wc3 h ARG 1080Ca 0.05 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 1wc3 h ARG 1080Cb 0.70 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 1wc3 h ARG 1080CO 0.05 -0.19 0.11 0.00 -1.51 0.00 0.00 179.97 178.42 1wc3 h ARG 1081N -0.30 0.88 -0.25 0.20 3.08 -1.08 -0.18 114.38 116.73 1wc3 h ARG 1081Ca 0.05 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 1wc3 h ARG 1081Cb 0.37 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1wc3 h ARG 1081CO -0.17 0.81 -0.03 0.00 -1.07 0.00 0.00 179.97 179.51 1wc3 h ALA 1082N 1.28 0.34 -0.05 0.04 0.00 -0.70 -0.50 119.26 119.66 1wc3 h ALA 1082Ca 0.18 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1wc3 h ALA 1082Cb 0.35 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1wc3 h ALA 1082CO 0.00 0.10 0.03 0.82 0.00 0.00 0.00 179.25 180.20 1wc3 h ILE 1083N 0.21 1.07 -0.46 0.00 1.08 -0.41 -0.58 117.51 118.42 1wc3 h ILE 1083Ca 0.07 -0.21 0.02 0.00 -0.39 0.00 0.00 64.86 64.34 1wc3 h ILE 1083Cb 0.47 1.12 -0.02 0.00 -3.07 0.00 0.00 36.82 35.31 1wc3 h ILE 1083CO 0.02 0.06 0.31 0.00 -0.69 0.00 0.00 178.15 177.85 1wc3 h ALA 1084N 0.94 1.72 0.18 1.87 0.00 -0.99 -1.23 119.26 121.75 1wc3 h ALA 1084Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1wc3 h ALA 1084Cb 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1wc3 h ALA 1084CO -0.00 0.24 -0.09 1.15 0.00 0.00 0.00 179.25 180.56 1wc3 h THR 1085N 0.58 0.93 -0.88 0.00 2.02 -0.55 -1.70 112.91 113.31 1wc3 h THR 1085Ca 0.18 -0.60 0.06 0.00 0.77 0.00 0.00 66.41 66.82 1wc3 h THR 1085Cb 0.00 1.29 -0.06 0.00 -1.74 0.00 0.00 68.15 67.64 1wc3 h THR 1085CO -0.04 0.14 0.55 0.00 0.37 0.00 0.00 175.52 176.53 1wc3 h ALA 1086N 0.22 1.21 -0.33 6.16 0.00 -0.66 -0.71 119.26 125.15 1wc3 h ALA 1086Ca -0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1wc3 h ALA 1086Cb 0.41 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1wc3 h ALA 1086CO 0.04 0.30 -0.03 0.00 0.00 0.00 0.00 179.25 179.56 1wc3 h ARG 1087N 1.00 0.60 -0.73 0.00 3.08 -1.21 -2.20 114.38 114.92 1wc3 h ARG 1087Ca 0.38 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 1wc3 h ARG 1087Cb 0.17 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 1wc3 h ARG 1087CO -0.17 0.75 0.36 0.37 -1.07 0.00 0.00 179.97 180.20 1wc3 h GLN 1088N 0.39 1.03 -0.59 0.04 4.15 -0.92 -1.44 115.11 117.76 1wc3 h GLN 1088Ca 0.09 -0.13 -0.04 0.00 0.77 0.00 0.00 58.65 59.33 1wc3 h GLN 1088Cb 0.50 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.97 1wc3 h GLN 1088CO 0.02 0.79 0.21 0.52 -1.93 0.00 0.00 178.83 178.44 1wc3 h MET 1089N 1.03 0.90 -0.53 1.69 2.86 -0.98 0.47 114.93 120.37 1wc3 h MET 1089Ca 0.25 -0.18 -0.10 0.00 -2.06 0.00 0.00 59.70 57.62 1wc3 h MET 1089Cb 0.09 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 1wc3 h MET 1089CO -0.03 0.79 -0.06 1.25 1.06 0.00 0.00 176.91 179.92 1wc3 h LEU 1090N 0.83 0.93 -0.33 1.22 6.46 -0.97 0.45 115.31 123.90 1wc3 h LEU 1090Ca 0.19 -0.27 -0.05 0.00 -0.12 0.00 0.00 57.88 57.63 1wc3 h LEU 1090Cb 0.25 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.91 1wc3 h LEU 1090CO -0.01 1.02 0.00 0.58 -0.62 0.00 0.00 178.44 179.41 1wc3 h VAL 1091N 0.86 1.26 -0.81 1.05 2.07 -0.98 -2.28 116.25 117.42 1wc3 h VAL 1091Ca 0.15 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 1wc3 h VAL 1091Cb 0.58 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 1wc3 h VAL 1091CO 0.04 0.31 0.51 0.00 0.02 0.00 0.00 177.57 178.45 1wc3 h ALA 1092N 0.85 1.36 -0.62 1.67 0.00 -0.63 -0.93 119.26 120.95 1wc3 h ALA 1092Ca 0.09 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1wc3 h ALA 1092Cb 0.45 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1wc3 h ALA 1092CO 0.02 0.57 0.14 1.25 0.00 0.00 0.00 179.25 181.22 1wc3 h LEU 1093N 1.12 0.93 -0.63 0.00 5.85 -0.67 0.24 115.31 122.15 1wc3 h LEU 1093Ca 0.29 -0.19 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 1wc3 h LEU 1093Cb -0.07 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.69 1wc3 h LEU 1093CO -0.06 0.91 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.58 1wc3 h GLU 1094N 0.94 1.04 -0.29 1.25 5.08 -0.77 0.14 114.58 121.97 1wc3 h GLU 1094Ca 0.20 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1wc3 h GLU 1094Cb 0.35 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1wc3 h GLU 1094CO 0.00 1.04 0.14 -0.22 -1.00 0.00 0.00 179.01 178.97 1wc3 h LYS 1095N 0.94 0.42 -0.63 2.33 3.64 -0.59 -1.51 116.57 121.18 1wc3 h LYS 1095Ca 0.16 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1wc3 h LYS 1095Cb 0.59 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 1wc3 h LYS 1095CO 0.04 0.40 0.41 -0.07 -2.27 0.00 0.00 179.45 177.95 1wc3 h LEU 1096N 0.33 0.69 -1.11 5.20 3.38 -0.14 -1.93 115.31 121.73 1wc3 h LEU 1096Ca 0.10 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1wc3 h LEU 1096Cb 0.12 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1wc3 h LEU 1096CO -0.01 0.50 0.29 0.78 0.09 0.00 0.00 178.44 180.09 1wc3 h ASN 1097N 0.82 0.83 -0.37 -0.43 2.35 -0.48 0.14 115.58 118.44 1wc3 h ASN 1097Ca 0.24 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 1wc3 h ASN 1097Cb -0.06 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 1wc3 h ASN 1097CO -0.07 0.72 0.20 -0.61 -1.65 0.00 0.00 177.43 176.03 1wc3 h GLN 1098N 0.92 0.51 -0.41 0.81 5.75 -0.65 0.15 115.11 122.19 1wc3 h GLN 1098Ca 0.22 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.61 1wc3 h GLN 1098Cb 0.12 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 1wc3 h GLN 1098CO -0.03 0.42 0.03 0.78 -2.65 0.00 0.00 178.83 177.39 1wc3 h GLY 1099N 0.47 0.75 1.47 2.39 0.00 -0.95 -1.84 103.07 105.36 1wc3 h GLY 1099Ca 0.13 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 1wc3 h GLY 1099CO -0.02 0.49 0.10 1.49 0.00 0.00 0.00 176.54 178.59 1wc3 h TRP 1100N 0.54 0.69 -0.24 5.60 6.55 -0.73 -0.79 115.95 127.56 1wc3 h TRP 1100Ca 0.12 -0.06 -0.01 0.00 0.95 0.00 0.00 58.89 59.89 1wc3 h TRP 1100Cb 0.43 -0.20 -0.01 0.00 -0.86 0.00 0.00 29.16 28.51 1wc3 h TRP 1100CO 0.03 0.60 0.11 0.37 -1.05 0.00 0.00 178.44 178.50 1wc3 h GLN 1101N 0.65 0.35 0.00 0.49 5.75 -0.51 0.26 115.11 122.11 1wc3 h GLN 1101Ca 0.15 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.55 1wc3 h GLN 1101Cb 0.27 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 1wc3 h GLN 1101CO -0.00 0.37 -0.19 0.93 -2.65 0.00 0.00 178.83 177.29 1wc3 h GLU 1102N 0.25 0.00 -0.00 1.69 5.08 -0.76 -2.11 114.58 118.72 1wc3 h GLU 1102Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1wc3 h GLU 1102Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1wc3 h GLU 1102CO -0.01 0.19 -0.32 0.54 -1.00 0.00 0.00 179.01 178.42 1wc3 n ARG 1103N -3.88 0.50 -0.98 2.33 1.74 -0.36 -4.94 116.66 111.08 1wc3 n ARG 1103Ca -0.02 -0.28 0.00 0.00 -0.77 0.00 0.00 57.85 56.79 1wc3 n ARG 1103Cb 0.28 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 1wc3 n ARG 1103CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wc3 n GLY 1104N 1.39 0.40 0.13 -0.13 0.00 -0.47 -4.92 105.19 101.59 1wc3 n GLY 1104Ca 0.10 -1.03 0.05 0.00 0.00 0.00 0.00 46.02 45.14 1wc3 n GLY 1104CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wc3 h LEU 1105N 0.00 0.00 -8.20 0.99 3.38 -0.78 -3.44 115.31 107.27 1wc3 h LEU 1105Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1wc3 h LEU 1105Cb 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.58 1wc3 h LEU 1105CO 0.00 0.33 -0.69 0.68 0.09 0.00 0.00 178.44 178.85 1wc3 s VAL 1106N -3.08 0.31 -0.57 1.22 -7.23 -1.15 -4.76 120.40 105.14 1wc3 s VAL 1106Ca 0.01 -1.52 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 1wc3 s VAL 1106Cb 0.08 -1.12 0.00 0.00 0.56 0.00 0.00 36.38 35.90 1wc3 s VAL 1106CO 0.77 -0.78 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 1wc3 n GLY 1107N 0.62 0.47 3.32 2.32 0.00 0.27 -4.34 105.19 107.85 1wc3 n GLY 1107Ca -0.17 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.00 1wc3 n GLY 1107CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wc3 s ARG 1108N -3.45 0.73 -1.27 1.61 3.52 -1.26 -4.76 118.95 114.07 1wc3 s ARG 1108Ca 0.00 0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.64 1wc3 s ARG 1108Cb 0.00 0.33 0.00 0.00 -1.56 0.00 0.00 34.95 33.72 1wc3 s ARG 1108CO 0.00 -0.20 0.00 -1.71 -0.81 0.00 0.00 175.30 172.58 1wc3 n ASN 1109N 1.44 -3.67 -3.92 -2.12 2.85 -1.26 -1.97 115.26 106.62 1wc3 n ASN 1109Ca -0.20 0.26 -0.39 0.00 -0.11 0.00 0.00 54.58 54.15 1wc3 n ASN 1109Cb 0.56 -3.30 0.02 0.00 1.24 0.00 0.00 39.78 38.31 1wc3 n ASN 1109CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1wc3 n GLU 1110N -2.24 -0.68 -3.63 1.20 4.71 -1.26 -4.98 120.64 113.76 1wc3 n GLU 1110Ca -0.14 0.29 -0.40 0.00 -0.01 0.00 0.00 57.16 56.91 1wc3 n GLU 1110Cb 0.50 -2.94 -0.11 0.00 -1.01 0.00 0.00 31.44 27.88 1wc3 n GLU 1110CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1wc3 s VAL 1111N -3.42 4.46 0.88 2.62 1.01 -0.83 -4.98 120.40 120.14 1wc3 s VAL 1111Ca 0.41 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.47 1wc3 s VAL 1111Cb -0.20 -3.45 0.13 0.00 0.00 0.00 0.00 36.38 32.86 1wc3 s VAL 1111CO 0.93 -0.16 1.15 -2.16 0.00 0.00 0.00 175.10 174.86 1wc3 s PRO 1112N 1.54 1.23 0.80 2.72 0.04 -1.26 -0.56 135.00 139.51 1wc3 s PRO 1112Ca 0.02 1.54 -0.12 0.00 0.04 0.00 0.00 61.00 62.48 1wc3 s PRO 1112Cb -0.19 -1.75 0.08 0.00 0.04 0.00 0.00 34.50 32.68 1wc3 s PRO 1112CO 0.06 -2.48 1.16 -1.25 0.04 0.00 0.00 177.00 174.54 1wc3 s PRO 1113N -4.60 1.78 0.31 0.56 0.04 -1.26 -4.68 135.00 127.16 1wc3 s PRO 1113Ca 0.67 1.58 -0.29 0.00 0.04 0.00 0.00 61.00 63.00 1wc3 s PRO 1113Cb -0.23 -1.81 -0.10 0.00 0.04 0.00 0.00 34.50 32.40 1wc3 s PRO 1113CO 0.57 -2.07 1.23 0.08 0.04 0.00 0.00 177.00 176.85 1wc3 s VAL 1114N -2.38 3.01 -0.02 -0.36 1.01 -1.26 -4.91 120.40 115.48 1wc3 s VAL 1114Ca 0.69 1.01 -0.00 0.00 0.00 0.00 0.00 61.98 63.68 1wc3 s VAL 1114Cb -0.25 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1wc3 s VAL 1114CO 0.51 0.24 0.04 -0.13 0.00 0.00 0.00 175.10 175.77 1wc3 s ARG 1115N -1.67 2.97 -0.04 2.72 0.52 -0.43 -4.94 118.95 118.09 1wc3 s ARG 1115Ca 0.47 -0.50 0.06 0.00 -0.52 0.00 0.00 55.73 55.24 1wc3 s ARG 1115Cb -0.37 -2.80 -0.02 0.00 0.52 0.00 0.00 34.95 32.28 1wc3 s ARG 1115CO 0.48 0.65 -0.21 0.12 0.02 0.00 0.00 175.30 176.36 1wc3 s PHE 1116N -1.10 2.50 -0.00 -0.53 5.36 -1.26 -0.87 117.98 122.07 1wc3 s PHE 1116Ca 0.20 -0.40 0.01 0.00 -0.96 0.00 0.00 56.93 55.78 1wc3 s PHE 1116Cb -0.12 -1.58 -0.00 0.00 -0.34 0.00 0.00 43.02 40.98 1wc3 s PHE 1116CO 0.10 -0.00 -0.03 1.03 -1.46 0.00 0.00 175.22 174.86 1wc3 s ARG 1117N -0.53 0.27 -0.02 10.12 0.52 -0.48 0.18 118.95 129.01 1wc3 s ARG 1117Ca 0.07 -0.11 -0.01 0.00 -0.52 0.00 0.00 55.73 55.16 1wc3 s ARG 1117Cb -0.11 -0.26 0.02 0.00 0.52 0.00 0.00 34.95 35.11 1wc3 s ARG 1117CO 0.01 0.07 0.05 0.00 0.02 0.00 0.00 175.30 175.44 1wc3 s GLY 1119N 0.55 1.06 -0.01 0.00 0.00 0.12 -0.72 107.32 108.32 1wc3 s GLY 1119Ca -0.04 -0.86 0.02 0.00 0.00 0.00 0.00 44.72 43.84 1wc3 s GLY 1119CO -0.02 -0.57 -0.07 -0.42 0.00 0.00 0.00 173.10 172.02 1wc3 s ILE 1120N -0.19 0.62 -0.02 0.90 1.01 -0.23 -1.52 121.20 121.76 1wc3 s ILE 1120Ca 0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 60.65 60.25 1wc3 s ILE 1120Cb -0.11 -0.54 0.01 0.00 0.01 0.00 0.00 42.46 41.83 1wc3 s ILE 1120CO 0.02 0.19 0.21 -2.28 0.00 0.00 0.00 174.94 173.07 1wc3 s HIS 1121N 0.00 -0.09 -0.07 3.97 2.46 -0.83 -2.32 115.29 118.40 1wc3 s HIS 1121Ca 0.00 0.16 0.04 0.00 0.47 0.00 0.00 55.06 55.73 1wc3 s HIS 1121Cb -0.05 0.03 -0.00 0.00 -0.13 0.00 0.00 32.58 32.42 1wc3 s HIS 1121CO -0.00 -0.28 -0.21 -1.14 -2.47 0.00 0.00 174.74 170.64 1wc3 s GLN 1122N -1.03 2.42 0.00 2.88 0.74 -1.26 -0.26 119.66 123.15 1wc3 s GLN 1122Ca -0.11 -0.75 0.00 0.00 0.05 0.00 0.00 55.36 54.55 1wc3 s GLN 1122Cb -0.06 -1.95 0.00 0.00 1.10 0.00 0.00 33.01 32.10 1wc3 s GLN 1122CO 0.02 0.22 0.00 0.41 -0.55 0.00 0.00 175.29 175.39 1wc3 n GLY 1123N 3.35 -0.90 3.76 2.59 0.00 -0.32 -4.82 105.19 108.85 1wc3 n GLY 1123Ca -0.19 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 1wc3 n GLY 1123CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wc3 s MET 1124N -2.00 4.50 0.06 1.61 -1.94 -1.26 -1.71 119.30 118.56 1wc3 s MET 1124Ca 0.00 2.00 -0.16 0.00 -1.71 0.00 0.00 55.69 55.81 1wc3 s MET 1124Cb 0.00 -3.14 0.03 0.00 2.01 0.00 0.00 34.83 33.73 1wc3 s MET 1124CO 0.00 0.01 0.38 0.00 -0.01 0.00 0.00 175.02 175.40 1wc3 s ALA 1125N -1.06 -0.89 -0.31 3.03 0.00 -0.38 -4.35 121.76 117.79 1wc3 s ALA 1125Ca 0.47 0.13 -0.18 0.00 0.00 0.00 0.00 51.96 52.37 1wc3 s ALA 1125Cb -0.36 0.43 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 1wc3 s ALA 1125CO 0.46 -0.49 0.54 0.08 0.00 0.00 0.00 175.76 176.34 1wc3 s VAL 1126N -2.86 5.02 0.05 0.00 1.01 -0.62 -0.62 120.40 122.37 1wc3 s VAL 1126Ca -0.03 0.65 0.07 0.00 0.00 0.00 0.00 61.98 62.68 1wc3 s VAL 1126Cb 0.00 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1wc3 s VAL 1126CO -0.05 -0.08 -0.19 -0.69 0.00 0.00 0.00 175.10 174.09 1wc3 s VAL 1127N 2.41 2.73 -5.00 2.92 1.01 0.45 -0.78 120.40 124.14 1wc3 s VAL 1127Ca 0.21 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.96 1wc3 s VAL 1127Cb -0.15 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.08 1wc3 s VAL 1127CO 0.11 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.15 1wc3 n GLY 1128N 1.53 0.61 3.70 4.51 0.00 -1.02 -0.49 105.19 114.02 1wc3 n GLY 1128Ca -0.16 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 1wc3 n GLY 1128CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wc3 s LEU 1129N 0.00 4.27 -0.01 0.99 1.43 0.69 -1.93 118.68 124.11 1wc3 s LEU 1129Ca 0.00 1.26 0.08 0.00 -1.03 0.00 0.00 54.13 54.44 1wc3 s LEU 1129Cb 0.00 -3.23 -0.02 0.00 0.03 0.00 0.00 46.19 42.97 1wc3 s LEU 1129CO 0.00 -0.26 -0.26 -0.36 0.23 0.00 0.00 176.35 175.71 1wc3 s PHE 1130N 1.40 2.34 0.00 0.29 0.40 -0.43 -4.34 117.98 117.65 1wc3 s PHE 1130Ca 0.40 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 56.31 1wc3 s PHE 1130Cb -0.18 -1.48 0.00 0.00 0.51 0.00 0.00 43.02 41.87 1wc3 s PHE 1130CO 0.17 0.00 0.00 0.41 0.70 0.00 0.00 175.22 176.51 1wc3 n GLY 1131N 2.30 0.43 3.33 4.36 0.00 -1.26 -1.91 105.19 112.44 1wc3 n GLY 1131Ca -0.16 -1.31 -0.19 0.00 0.00 0.00 0.00 46.02 44.36 1wc3 n GLY 1131CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wc3 s SER 1132N -4.00 1.54 0.51 1.61 1.04 0.27 -4.95 113.70 109.72 1wc3 s SER 1132Ca 0.00 -1.71 0.17 0.00 0.48 0.00 0.00 55.95 54.89 1wc3 s SER 1132Cb 0.00 0.58 1.27 0.00 0.10 0.00 0.00 66.02 67.97 1wc3 s SER 1132CO 0.00 -1.12 2.11 1.56 0.98 0.00 0.00 173.24 176.78 1wc3 h GLN 1133N 2.13 0.04 0.00 4.02 4.20 -2.01 -1.64 115.11 121.84 1wc3 h GLN 1133Ca -0.26 -0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.31 1wc3 h GLN 1133Cb 1.23 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.98 1wc3 h GLN 1133CO 0.37 0.02 -0.69 0.93 -0.67 0.00 0.00 178.83 178.79 1wc3 h GLU 1134N 0.04 0.00 -1.42 1.46 5.08 -2.03 -3.45 114.58 114.25 1wc3 h GLU 1134Ca 0.06 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.55 1wc3 h GLU 1134Cb 0.20 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.19 1wc3 h GLU 1134CO -0.00 0.69 0.29 0.50 -1.00 0.00 0.00 179.01 179.49 1wc3 s ARG 1135N -3.31 0.38 -0.13 2.33 6.06 -0.62 -5.17 118.95 118.50 1wc3 s ARG 1135Ca -0.00 0.75 -0.17 0.00 -2.50 0.00 0.00 55.73 53.81 1wc3 s ARG 1135Cb 0.11 0.23 0.04 0.00 0.06 0.00 0.00 34.95 35.39 1wc3 s ARG 1135CO 0.77 -0.10 0.44 -1.54 -2.50 0.00 0.00 175.30 172.38 1wc3 s SER 1136N 1.76 -0.43 0.09 -2.12 1.04 -1.24 -0.56 113.70 112.24 1wc3 s SER 1136Ca -0.07 0.73 0.05 0.00 0.48 0.00 0.00 55.95 57.14 1wc3 s SER 1136Cb -0.05 0.77 -0.03 0.00 0.10 0.00 0.00 66.02 66.81 1wc3 s SER 1136CO -0.16 -0.25 -0.12 -1.81 0.98 0.00 0.00 173.24 171.87 1wc3 s ASP 1137N -0.19 1.60 -0.08 7.02 1.01 -0.80 -4.89 116.67 120.33 1wc3 s ASP 1137Ca -0.04 -0.72 -0.27 0.00 0.71 0.00 0.00 52.55 52.22 1wc3 s ASP 1137Cb -0.03 -0.03 -0.02 0.00 1.01 0.00 0.00 42.92 43.85 1wc3 s ASP 1137CO 0.02 -0.17 0.90 0.12 0.21 0.00 0.00 175.17 176.25 1wc3 s PHE 1138N -1.89 3.55 0.20 4.23 5.36 -1.26 -1.31 117.98 126.86 1wc3 s PHE 1138Ca 0.02 1.48 -0.08 0.00 -0.96 0.00 0.00 56.93 57.39 1wc3 s PHE 1138Cb -0.06 -3.05 0.03 0.00 -0.34 0.00 0.00 43.02 39.60 1wc3 s PHE 1138CO 0.01 -0.11 0.44 -2.37 -1.46 0.00 0.00 175.22 171.73 1wc3 n THR 1139N 4.26 0.00 -5.00 0.12 5.66 -0.82 -4.92 114.28 113.58 1wc3 n THR 1139Ca 0.05 -0.52 -0.29 0.00 -3.05 0.00 0.00 64.05 60.24 1wc3 n THR 1139Cb 0.50 0.52 -0.15 0.00 -1.55 0.00 0.00 70.33 69.65 1wc3 n THR 1139CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wc3 s ALA 1140N -1.58 2.07 0.02 1.79 0.00 -1.26 -2.44 121.76 120.36 1wc3 s ALA 1140Ca 0.09 -1.14 0.04 0.00 0.00 0.00 0.00 51.96 50.95 1wc3 s ALA 1140Cb -0.03 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 1wc3 s ALA 1140CO 0.06 0.49 -0.13 0.42 0.00 0.00 0.00 175.76 176.61 1wc3 s ILE 1141N -0.70 0.99 0.00 0.00 -1.09 0.04 -4.94 121.20 115.49 1wc3 s ILE 1141Ca 0.10 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 57.75 1wc3 s ILE 1141Cb -0.10 -0.87 0.00 0.00 -1.58 0.00 0.00 42.46 39.91 1wc3 s ILE 1141CO 0.01 0.10 0.00 0.61 -1.23 0.00 0.00 174.94 174.43 1wc3 n GLY 1142N 2.28 2.95 0.37 6.18 0.00 -1.26 -1.60 105.19 114.12 1wc3 n GLY 1142Ca -0.16 -1.90 0.19 0.00 0.00 0.00 0.00 46.02 44.15 1wc3 n GLY 1142CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1wc3 h PRO 1143N 0.00 0.50 -0.69 1.61 0.11 -1.99 0.58 132.00 132.12 1wc3 h PRO 1143Ca 0.00 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.09 1wc3 h PRO 1143Cb 0.00 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 30.96 1wc3 h PRO 1143CO 0.00 0.33 0.46 0.77 -0.21 0.00 0.00 178.00 179.35 1wc3 h SER 1144N 0.52 0.78 -0.10 -2.05 0.02 -1.90 0.25 113.55 111.08 1wc3 h SER 1144Ca 0.63 -0.02 -0.24 0.00 -0.84 0.00 0.00 61.79 61.33 1wc3 h SER 1144Cb 1.33 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 63.69 1wc3 h SER 1144CO -0.42 0.56 -0.86 0.58 -1.14 0.00 0.00 176.83 175.56 1wc3 h VAL 1145N 0.92 1.28 -0.79 2.27 2.07 -1.22 -2.80 116.25 117.98 1wc3 h VAL 1145Ca 0.26 -2.05 -0.00 0.00 0.82 0.00 0.00 66.70 65.72 1wc3 h VAL 1145Cb -0.08 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 1wc3 h VAL 1145CO -0.06 0.65 0.48 0.78 0.02 0.00 0.00 177.57 179.44 1wc3 h ASN 1146N 0.50 0.94 -0.36 0.57 2.35 -0.68 -2.32 115.58 116.59 1wc3 h ASN 1146Ca -0.08 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.60 1wc3 h ASN 1146Cb 1.49 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.61 1wc3 h ASN 1146CO 0.17 0.73 0.16 0.40 -1.65 0.00 0.00 177.43 177.24 1wc3 h ILE 1147N 1.08 1.17 -0.85 2.81 2.04 -0.96 -1.09 117.51 121.71 1wc3 h ILE 1147Ca 0.28 -0.51 0.04 0.00 1.00 0.00 0.00 64.86 65.67 1wc3 h ILE 1147Cb -0.05 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 1wc3 h ILE 1147CO -0.05 0.19 0.56 0.00 0.00 0.00 0.00 178.15 178.84 1wc3 h ALA 1148N 1.01 1.49 -0.43 1.87 0.00 -1.23 0.85 119.26 122.82 1wc3 h ALA 1148Ca 0.12 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1wc3 h ALA 1148Cb 0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1wc3 h ALA 1148CO -0.01 0.42 -0.14 0.00 0.00 0.00 0.00 179.25 179.51 1wc3 h ALA 1149N 1.51 0.60 -0.30 0.00 0.00 -1.04 -2.76 119.26 117.28 1wc3 h ALA 1149Ca 0.34 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1wc3 h ALA 1149Cb 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1wc3 h ALA 1149CO -0.10 0.51 -0.29 0.00 0.00 0.00 0.00 179.25 179.37 1wc3 h ARG 1150N 0.68 0.61 -0.72 0.00 3.08 -0.35 -2.67 114.38 115.01 1wc3 h ARG 1150Ca 0.10 -0.26 -0.06 0.00 0.07 0.00 0.00 59.98 59.83 1wc3 h ARG 1150Cb 0.69 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 1wc3 h ARG 1150CO 0.05 0.83 0.21 -0.07 -1.07 0.00 0.00 179.97 179.92 1wc3 h LEU 1151N 0.53 1.06 -0.95 3.04 3.38 -0.79 -1.61 115.31 119.97 1wc3 h LEU 1151Ca 0.07 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 1wc3 h LEU 1151Cb 0.77 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1wc3 h LEU 1151CO 0.06 1.00 -0.04 -0.61 0.09 0.00 0.00 178.44 178.94 1wc3 h GLN 1152N 1.08 0.72 0.00 1.13 -0.00 -1.32 -2.33 115.11 114.39 1wc3 h GLN 1152Ca 0.23 -0.20 0.00 0.00 -0.00 0.00 0.00 58.65 58.68 1wc3 h GLN 1152Cb 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 27.48 27.72 1wc3 h GLN 1152CO -0.00 0.76 -0.08 0.39 0.00 0.00 0.00 178.83 179.89 1wc3 n GLU 1153N -4.21 0.10 -0.06 1.69 1.02 -1.02 -3.80 120.64 114.36 1wc3 n GLU 1153Ca 0.02 0.07 -0.08 0.00 -0.02 0.00 0.00 57.16 57.15 1wc3 n GLU 1153Cb 0.31 -1.61 -0.15 0.00 -0.02 0.00 0.00 31.44 29.98 1wc3 n GLU 1153CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wc3 n ALA 1154N -1.61 1.57 -1.29 0.62 0.00 -0.64 -4.98 120.51 114.18 1wc3 n ALA 1154Ca 0.06 -1.06 -0.31 0.00 0.00 0.00 0.00 53.44 52.13 1wc3 n ALA 1154Cb 0.37 -0.49 0.09 0.00 0.00 0.00 0.00 19.45 19.42 1wc3 n ALA 1154CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1wc3 s THR 1155N -2.59 3.32 0.79 0.00 -1.32 -0.91 -5.03 115.64 109.90 1wc3 s THR 1155Ca -0.08 0.45 -0.12 0.00 -1.21 0.00 0.00 61.69 60.74 1wc3 s THR 1155Cb 0.07 -2.94 0.07 0.00 -1.51 0.00 0.00 72.50 68.19 1wc3 s THR 1155CO 0.83 -0.54 1.11 0.00 -2.21 0.00 0.00 174.62 173.81 1wc3 s ALA 1156N -2.83 2.40 0.32 11.08 0.00 -1.26 -4.99 121.76 126.48 1wc3 s ALA 1156Ca 0.62 -0.33 -0.28 0.00 0.00 0.00 0.00 51.96 51.96 1wc3 s ALA 1156Cb -0.18 -3.06 -0.13 0.00 0.00 0.00 0.00 23.12 19.76 1wc3 s ALA 1156CO 0.54 -1.64 1.22 -2.30 0.00 0.00 0.00 175.76 173.58 1wc3 n PRO 1157N -3.35 1.92 -3.69 0.00 -0.02 -1.26 -2.93 135.00 125.66 1wc3 n PRO 1157Ca 0.07 0.67 -0.21 0.00 -2.02 0.00 0.00 63.50 62.01 1wc3 n PRO 1157Cb 0.57 -2.20 0.03 0.00 -0.02 0.00 0.00 33.50 31.89 1wc3 n PRO 1157CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1wc3 n ASN 1158N 0.95 -1.19 -3.99 2.55 5.03 0.49 -4.91 115.26 114.19 1wc3 n ASN 1158Ca 0.06 -0.81 -0.09 0.00 0.87 0.00 0.00 54.58 54.61 1wc3 n ASN 1158Cb 0.35 -4.09 -0.08 0.00 -1.02 0.00 0.00 39.78 34.93 1wc3 n ASN 1158CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1wc3 s SER 1159N -4.36 0.20 -0.14 6.41 1.04 -1.06 -4.98 113.70 110.80 1wc3 s SER 1159Ca 0.00 -0.90 0.02 0.00 0.48 0.00 0.00 55.95 55.56 1wc3 s SER 1159Cb -0.00 0.34 0.01 0.00 0.10 0.00 0.00 66.02 66.47 1wc3 s SER 1159CO 0.81 -0.76 -0.20 -0.63 0.98 0.00 0.00 173.24 173.44 1wc3 s ILE 1160N -3.94 1.95 -0.10 -1.02 1.01 -1.26 -1.88 121.20 115.96 1wc3 s ILE 1160Ca 0.13 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 59.91 1wc3 s ILE 1160Cb 0.05 -1.74 -0.00 0.00 0.01 0.00 0.00 42.46 40.79 1wc3 s ILE 1160CO -0.05 0.53 -0.24 -0.32 0.00 0.00 0.00 174.94 174.86 1wc3 s MET 1161N 0.91 2.97 0.27 2.79 1.75 0.10 -1.77 119.30 126.32 1wc3 s MET 1161Ca -0.05 -0.87 0.07 0.00 -1.25 0.00 0.00 55.69 53.59 1wc3 s MET 1161Cb -0.15 -2.27 -0.05 0.00 2.84 0.00 0.00 34.83 35.20 1wc3 s MET 1161CO -0.03 0.19 -0.09 0.14 -0.65 0.00 0.00 175.02 174.58 1wc3 s VAL 1162N 0.31 1.76 0.70 10.11 -7.23 0.08 -1.06 120.40 125.06 1wc3 s VAL 1162Ca -0.18 -2.17 -0.05 0.00 -1.81 0.00 0.00 61.98 57.78 1wc3 s VAL 1162Cb -0.18 -2.35 0.08 0.00 0.56 0.00 0.00 36.38 34.49 1wc3 s VAL 1162CO 0.08 -0.37 0.99 -0.94 -0.31 0.00 0.00 175.10 174.55 1wc3 s SER 1163N -3.43 4.69 0.39 4.85 1.04 -0.98 -0.47 113.70 119.79 1wc3 s SER 1163Ca 0.28 0.19 0.07 0.00 0.48 0.00 0.00 55.95 56.98 1wc3 s SER 1163Cb 0.02 -0.80 0.80 0.00 0.10 0.00 0.00 66.02 66.15 1wc3 s SER 1163CO 0.11 -1.64 1.99 0.00 0.98 0.00 0.00 173.24 174.68 1wc3 h ALA 1164N -0.53 1.60 -0.31 5.32 0.00 -1.90 -0.21 119.26 123.23 1wc3 h ALA 1164Ca -0.42 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 1wc3 h ALA 1164Cb 1.30 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1wc3 h ALA 1164CO 0.53 0.31 0.10 1.98 0.00 0.00 0.00 179.25 182.17 1wc3 h MET 1165N 0.44 0.44 0.08 0.00 1.85 -1.90 -2.27 114.93 113.57 1wc3 h MET 1165Ca 0.11 -0.06 -0.17 0.00 -0.61 0.00 0.00 59.70 58.98 1wc3 h MET 1165Cb 0.13 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 32.08 1wc3 h MET 1165CO -0.01 0.39 -0.81 0.28 -0.40 0.00 0.00 176.91 176.36 1wc3 h VAL 1166N 0.44 1.40 -0.96 -5.77 2.07 -1.60 -3.37 116.25 108.46 1wc3 h VAL 1166Ca 0.11 -2.42 0.16 0.00 0.82 0.00 0.00 66.70 65.37 1wc3 h VAL 1166Cb 0.13 3.02 -0.08 0.00 -1.52 0.00 0.00 31.29 32.84 1wc3 h VAL 1166CO -0.01 0.64 0.60 0.00 0.02 0.00 0.00 177.57 178.83 1wc3 h ALA 1167N -0.04 1.75 0.00 1.67 0.00 -0.90 -1.98 119.26 119.77 1wc3 h ALA 1167Ca -0.17 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1wc3 h ALA 1167Cb 1.47 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1wc3 h ALA 1167CO 0.05 -0.04 0.43 -0.56 0.00 0.00 0.00 179.25 179.12 1wc3 h GLN 1168N 0.76 0.00 -0.02 0.00 3.07 -1.57 0.86 115.11 118.20 1wc3 h GLN 1168Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.24 1wc3 h GLN 1168Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.33 1wc3 h GLN 1168CO -0.27 0.00 -0.27 0.66 0.09 0.00 0.00 178.83 179.04 1wc3 n TYR 1169N -2.66 0.00 -3.85 0.06 4.02 -0.74 -4.95 117.16 109.04 1wc3 n TYR 1169Ca -0.01 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.53 1wc3 n TYR 1169Cb 0.46 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.69 1wc3 n TYR 1169CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1wc3 s VAL 1170N -2.13 5.13 0.11 -0.72 1.01 0.30 -4.98 120.40 119.13 1wc3 s VAL 1170Ca 0.20 0.09 -0.35 0.00 0.00 0.00 0.00 61.98 61.92 1wc3 s VAL 1170Cb 0.17 -3.33 -0.17 0.00 0.00 0.00 0.00 36.38 33.05 1wc3 s VAL 1170CO 0.43 0.45 1.19 -2.65 0.00 0.00 0.00 175.10 174.51 1wc3 n PRO 1171N 3.53 0.89 -0.26 2.72 -0.02 -1.26 -4.80 135.00 135.79 1wc3 n PRO 1171Ca -0.16 0.32 0.16 0.00 -2.02 0.00 0.00 63.50 61.79 1wc3 n PRO 1171Cb 0.52 -1.85 0.45 0.00 -0.02 0.00 0.00 33.50 32.59 1wc3 n PRO 1171CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1wc3 h ASP 1172N 3.67 0.53 0.83 2.55 3.32 -1.96 0.21 116.42 125.58 1wc3 h ASP 1172Ca -0.46 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1wc3 h ASP 1172Cb 1.36 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1wc3 h ASP 1172CO 0.72 0.23 0.00 1.05 -1.72 0.00 0.00 179.24 179.52 1wc3 h GLU 1173N 0.54 0.00 -0.08 3.56 9.09 -2.03 -2.21 114.58 123.45 1wc3 h GLU 1173Ca 0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.88 1wc3 h GLU 1173Cb 0.97 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.07 1wc3 h GLU 1173CO -0.21 0.00 0.00 0.39 0.05 0.00 0.00 179.01 179.24 1wc3 n GLU 1174N -2.58 1.53 -3.28 1.06 1.02 0.06 -4.69 120.64 113.76 1wc3 n GLU 1174Ca 0.01 -0.78 -0.45 0.00 -0.02 0.00 0.00 57.16 55.92 1wc3 n GLU 1174Cb 0.26 -1.42 -0.06 0.00 -0.02 0.00 0.00 31.44 30.20 1wc3 n GLU 1174CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1wc3 s ILE 1175N -1.91 5.12 0.07 -3.67 -1.09 -0.83 -0.33 121.20 118.56 1wc3 s ILE 1175Ca 0.35 -1.22 -0.21 0.00 -2.23 0.00 0.00 60.65 57.34 1wc3 s ILE 1175Cb 0.18 -4.31 -0.11 0.00 -1.58 0.00 0.00 42.46 36.64 1wc3 s ILE 1175CO 0.29 -0.84 1.58 0.40 -1.23 0.00 0.00 174.94 175.14 1wc3 h ILE 1176N 5.86 1.18 -3.52 2.92 2.04 -0.69 -3.46 117.51 121.84 1wc3 h ILE 1176Ca -0.29 -0.56 -0.16 0.00 1.00 0.00 0.00 64.86 64.85 1wc3 h ILE 1176Cb 1.10 1.29 -0.22 0.00 -0.74 0.00 0.00 36.82 38.25 1wc3 h ILE 1176CO 1.00 0.17 -0.52 -0.75 0.00 0.00 0.00 178.15 178.06 1wc3 s LYS 1177N -5.38 0.41 -0.07 2.37 2.20 -1.10 -4.97 119.74 113.20 1wc3 s LYS 1177Ca -0.14 -0.29 0.02 0.00 -0.36 0.00 0.00 55.97 55.20 1wc3 s LYS 1177Cb 0.06 0.17 0.02 0.00 -1.51 0.00 0.00 37.83 36.57 1wc3 s LYS 1177CO 0.70 -0.09 -0.11 1.03 -0.36 0.00 0.00 175.35 176.52 1wc3 s ARG 1178N -1.08 1.56 -0.03 4.03 0.52 -1.26 -0.93 118.95 121.76 1wc3 s ARG 1178Ca -0.12 -0.35 -0.30 0.00 -0.52 0.00 0.00 55.73 54.44 1wc3 s ARG 1178Cb -0.06 -1.34 0.08 0.00 0.52 0.00 0.00 34.95 34.14 1wc3 s ARG 1178CO 0.01 -0.02 0.71 -2.00 0.02 0.00 0.00 175.30 174.03 1wc3 s GLU 1179N 0.80 1.03 -0.12 3.54 2.12 -0.87 -5.01 118.70 120.19 1wc3 s GLU 1179Ca -0.12 0.12 -0.18 0.00 0.36 0.00 0.00 54.97 55.15 1wc3 s GLU 1179Cb -0.15 0.48 -0.04 0.00 0.26 0.00 0.00 34.13 34.68 1wc3 s GLU 1179CO 0.02 -0.35 0.46 -0.06 -0.54 0.00 0.00 175.26 174.79 1wc3 s PHE 1180N -1.62 3.52 0.05 5.30 0.40 -1.26 -1.19 117.98 123.19 1wc3 s PHE 1180Ca -0.08 0.87 0.05 0.00 -0.60 0.00 0.00 56.93 57.18 1wc3 s PHE 1180Cb -0.00 -2.52 -0.03 0.00 0.51 0.00 0.00 43.02 40.98 1wc3 s PHE 1180CO 0.05 0.20 -0.15 -0.51 0.70 0.00 0.00 175.22 175.51 1wc3 s LEU 1181N 0.52 2.21 -0.41 -0.37 1.43 -0.78 -4.96 118.68 116.32 1wc3 s LEU 1181Ca 0.25 -0.53 -0.17 0.00 -1.03 0.00 0.00 54.13 52.66 1wc3 s LEU 1181Cb -0.15 -0.63 0.02 0.00 0.03 0.00 0.00 46.19 45.46 1wc3 s LEU 1181CO 0.10 0.02 0.39 -0.70 0.23 0.00 0.00 176.35 176.39 1wc3 s GLU 1182N -1.37 3.09 0.36 1.70 2.12 -1.26 -0.89 118.70 122.44 1wc3 s GLU 1182Ca 0.01 -0.81 -0.12 0.00 0.36 0.00 0.00 54.97 54.41 1wc3 s GLU 1182Cb -0.09 -3.96 -0.07 0.00 0.26 0.00 0.00 34.13 30.27 1wc3 s GLU 1182CO 0.02 -0.81 0.74 -0.51 -0.54 0.00 0.00 175.26 174.16 1wc3 s LEU 1183N 2.00 3.95 0.59 2.70 1.43 -1.26 -5.02 118.68 123.07 1wc3 s LEU 1183Ca 0.10 1.16 -0.19 0.00 -1.03 0.00 0.00 54.13 54.17 1wc3 s LEU 1183Cb -0.18 -4.00 -0.04 0.00 0.03 0.00 0.00 46.19 42.00 1wc3 s LEU 1183CO 0.12 -0.30 1.13 1.17 0.23 0.00 0.00 176.35 178.70 1wc3 n LYS 1184N -0.86 1.13 -0.60 1.70 4.81 -1.26 -1.94 118.16 121.13 1wc3 n LYS 1184Ca 0.03 0.43 0.00 0.00 -0.87 0.00 0.00 58.31 57.90 1wc3 n LYS 1184Cb 0.54 -2.33 0.00 0.00 0.02 0.00 0.00 35.03 33.25 1wc3 n LYS 1184CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wc3 n GLY 1185N 1.09 0.00 3.61 3.14 0.00 -1.26 -4.91 105.19 106.85 1wc3 n GLY 1185Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1wc3 n GLY 1185CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wc3 s ILE 1186N -0.90 5.32 -0.01 -0.61 -1.09 -0.82 -4.99 121.20 118.09 1wc3 s ILE 1186Ca 0.00 0.19 -0.22 0.00 -2.23 0.00 0.00 60.65 58.39 1wc3 s ILE 1186Cb 0.00 -3.53 -0.14 0.00 -1.58 0.00 0.00 42.46 37.21 1wc3 s ILE 1186CO 0.00 0.27 0.96 0.44 -1.23 0.00 0.00 174.94 175.39 1wc3 h ASP 1187N 8.13 -0.47 -3.34 3.58 3.32 -1.91 -3.43 116.42 122.30 1wc3 h ASP 1187Ca -0.36 -0.10 -0.58 0.00 0.02 0.00 0.00 57.03 56.01 1wc3 h ASP 1187Cb 1.18 0.12 -0.08 0.00 0.22 0.00 0.00 39.33 40.78 1wc3 h ASP 1187CO 0.58 -0.04 0.29 -1.61 -1.72 0.00 0.00 179.24 176.73 1wc3 s GLU 1188N -4.06 4.27 0.96 3.56 0.41 -1.26 -5.03 118.70 117.56 1wc3 s GLU 1188Ca -0.12 0.88 -0.13 0.00 -0.41 0.00 0.00 54.97 55.18 1wc3 s GLU 1188Cb 0.01 -3.57 0.03 0.00 -1.78 0.00 0.00 34.13 28.82 1wc3 s GLU 1188CO 0.41 -0.28 0.29 -2.30 -0.49 0.00 0.00 175.26 172.90 1wc3 n PRO 1189N 5.10 -0.33 -4.94 0.39 -0.02 -1.26 -4.87 135.00 129.07 1wc3 n PRO 1189Ca 0.02 -0.06 -0.33 0.00 -2.02 0.00 0.00 63.50 61.12 1wc3 n PRO 1189Cb 0.49 -1.78 -0.14 0.00 -0.02 0.00 0.00 33.50 32.05 1wc3 n PRO 1189CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1wc3 s VAL 1190N -2.36 2.92 -0.41 -1.45 1.01 -0.07 -4.94 120.40 115.10 1wc3 s VAL 1190Ca 0.55 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 1wc3 s VAL 1190Cb -0.20 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.06 1wc3 s VAL 1190CO 0.69 0.58 1.14 -0.32 0.00 0.00 0.00 175.10 177.19 1wc3 s MET 1191N -0.61 3.84 0.02 2.72 1.75 -1.26 -1.88 119.30 123.88 1wc3 s MET 1191Ca 0.09 0.79 -0.00 0.00 -1.25 0.00 0.00 55.69 55.32 1wc3 s MET 1191Cb -0.11 -3.86 -0.04 0.00 2.84 0.00 0.00 34.83 33.66 1wc3 s MET 1191CO 0.01 -1.22 0.12 0.95 -0.65 0.00 0.00 175.02 174.23 1wc3 s THR 1192N 4.24 4.95 -0.09 10.11 -4.23 -0.33 -2.76 115.64 127.53 1wc3 s THR 1192Ca 0.48 -0.42 -0.02 0.00 -1.18 0.00 0.00 61.69 60.56 1wc3 s THR 1192Cb -0.10 -3.32 0.03 0.00 1.34 0.00 0.00 72.50 70.46 1wc3 s THR 1192CO 0.26 0.27 0.02 0.00 -0.54 0.00 0.00 174.62 174.63 1wc3 s VAL 1194N 1.98 4.89 0.15 0.00 1.01 -0.10 -0.74 120.40 127.60 1wc3 s VAL 1194Ca 0.04 1.54 -0.07 0.00 0.00 0.00 0.00 61.98 63.49 1wc3 s VAL 1194Cb -0.13 -4.10 -0.06 0.00 0.00 0.00 0.00 36.38 32.09 1wc3 s VAL 1194CO -0.06 0.02 0.42 0.27 0.00 0.00 0.00 175.10 175.75 1wc3 s ILE 1195N 2.27 5.09 0.11 2.22 -4.36 -0.73 0.02 121.20 125.82 1wc3 s ILE 1195Ca 0.36 0.23 -0.31 0.00 -0.26 0.00 0.00 60.65 60.67 1wc3 s ILE 1195Cb -0.16 -3.63 -0.09 0.00 1.25 0.00 0.00 42.46 39.84 1wc3 s ILE 1195CO 0.11 0.07 1.53 0.21 0.24 0.00 0.00 174.94 177.09 1wc3 s ASN 1196N -2.27 6.68 0.08 4.36 3.84 0.55 -4.53 114.94 123.65 1wc3 s ASN 1196Ca 0.41 2.46 0.06 0.00 0.21 0.00 0.00 52.86 56.00 1wc3 s ASN 1196Cb -0.12 -2.58 0.31 0.00 -0.55 0.00 0.00 41.25 38.31 1wc3 s ASN 1196CO 0.22 -0.79 1.18 -0.81 -2.79 0.00 0.00 177.10 174.12 1wc3 n PRO 1197N 4.49 0.04 -5.26 0.43 -0.04 -1.26 -4.57 135.00 128.82 1wc3 n PRO 1197Ca 0.14 0.52 -0.31 0.00 -0.04 0.00 0.00 63.50 63.81 1wc3 n PRO 1197Cb 0.40 -1.61 -0.16 0.00 -0.04 0.00 0.00 33.50 32.09 1wc3 n PRO 1197CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1wc3 s ASN 1198N -3.26 3.15 0.97 3.54 0.01 -1.26 -4.81 114.94 113.29 1wc3 s ASN 1198Ca -0.00 -0.44 -0.12 0.00 -0.71 0.00 0.00 52.86 51.58 1wc3 s ASN 1198Cb 0.02 -0.41 0.17 0.00 0.41 0.00 0.00 41.25 41.44 1wc3 s ASN 1198CO 0.06 0.32 1.11 -0.32 -1.51 0.00 0.00 177.10 176.76 1wc3 s MET 1199N -0.61 0.63 0.00 -0.60 -2.45 -1.26 -5.00 119.30 110.01 1wc3 s MET 1199Ca 0.10 0.39 0.00 0.00 -1.25 0.00 0.00 55.69 54.93 1wc3 s MET 1199Cb -0.10 -1.77 0.00 0.00 1.25 0.00 0.00 34.83 34.21 1wc3 s MET 1199CO -0.01 -2.57 0.00 1.28 1.05 0.00 0.00 175.02 174.77