#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wc4 n HIS 1003N 0.00 0.00 -2.35 7.33 8.25 -1.26 -5.07 115.22 122.12 1wc4 n HIS 1003Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 1wc4 n HIS 1003Cb 0.00 0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.10 1wc4 n HIS 1003CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1wc4 s MET 1004N 0.00 3.91 0.46 -0.41 0.00 -1.26 -5.01 119.30 116.99 1wc4 s MET 1004Ca 0.00 1.37 -0.21 0.00 0.00 0.00 0.00 55.69 56.85 1wc4 s MET 1004Cb 0.00 -3.91 -0.09 0.00 0.00 0.00 0.00 34.83 30.83 1wc4 s MET 1004CO 0.00 -1.13 1.01 1.03 0.00 0.00 0.00 175.02 175.92 1wc4 s ARG 1005N 4.24 3.98 -0.15 4.11 0.52 -1.26 -1.74 118.95 128.64 1wc4 s ARG 1005Ca 0.60 1.29 -0.40 0.00 -0.52 0.00 0.00 55.73 56.70 1wc4 s ARG 1005Cb -0.19 -2.16 -0.17 0.00 0.52 0.00 0.00 34.95 32.96 1wc4 s ARG 1005CO 0.24 -0.27 1.53 -2.30 0.02 0.00 0.00 175.30 174.52 1wc4 n PRO 1006N -0.78 0.93 -3.78 3.54 -0.02 -1.26 -4.73 135.00 128.89 1wc4 n PRO 1006Ca 0.08 0.34 -0.13 0.00 -2.02 0.00 0.00 63.50 61.77 1wc4 n PRO 1006Cb 0.53 -1.97 -0.11 0.00 -0.02 0.00 0.00 33.50 31.93 1wc4 n PRO 1006CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1wc4 s GLU 1007N 2.14 0.38 0.78 -0.52 -1.05 -0.47 -4.93 118.70 115.03 1wc4 s GLU 1007Ca 0.94 0.24 -0.12 0.00 -0.15 0.00 0.00 54.97 55.87 1wc4 s GLU 1007Cb -1.09 0.18 0.07 0.00 -0.44 0.00 0.00 34.13 32.84 1wc4 s GLU 1007CO 0.60 -0.06 1.14 -1.25 0.95 0.00 0.00 175.26 176.64 1wc4 s PRO 1008N -0.18 1.99 -0.27 -4.83 0.04 -1.26 0.60 135.00 131.08 1wc4 s PRO 1008Ca -0.03 1.47 -0.38 0.00 0.04 0.00 0.00 61.00 62.10 1wc4 s PRO 1008Cb -0.03 -1.84 0.16 0.00 0.04 0.00 0.00 34.50 32.82 1wc4 s PRO 1008CO 0.01 -1.89 1.37 0.50 0.04 0.00 0.00 177.00 177.03 1wc4 s ARG 1009N -4.42 0.05 -0.34 4.56 3.52 -0.76 -4.75 118.95 116.80 1wc4 s ARG 1009Ca 0.67 -0.02 -0.13 0.00 -0.13 0.00 0.00 55.73 56.13 1wc4 s ARG 1009Cb -0.22 0.02 -0.01 0.00 -1.56 0.00 0.00 34.95 33.18 1wc4 s ARG 1009CO 0.51 -0.02 0.23 -1.17 -0.81 0.00 0.00 175.30 174.04 1wc4 s LEU 1010N -2.08 4.53 0.26 -0.88 2.96 -1.26 0.07 118.68 122.28 1wc4 s LEU 1010Ca 0.12 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 1wc4 s LEU 1010Cb -0.01 -2.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 1wc4 s LEU 1010CO -0.03 -0.26 0.15 0.27 -1.32 0.00 0.00 176.35 175.17 1wc4 s ILE 1011N 1.70 0.18 -0.22 6.68 -4.36 -0.68 -4.85 121.20 119.65 1wc4 s ILE 1011Ca 0.06 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.47 1wc4 s ILE 1011Cb -0.18 -2.53 0.04 0.00 1.25 0.00 0.00 42.46 41.05 1wc4 s ILE 1011CO 0.10 0.00 -0.16 -0.89 0.24 0.00 0.00 174.94 174.23 1wc4 s THR 1012N -3.84 2.11 -0.10 8.37 2.01 -0.10 -1.62 115.64 122.46 1wc4 s THR 1012Ca 0.38 -1.28 -0.12 0.00 0.31 0.00 0.00 61.69 60.98 1wc4 s THR 1012Cb 0.06 -2.06 -0.05 0.00 0.01 0.00 0.00 72.50 70.46 1wc4 s THR 1012CO 0.16 0.26 0.27 -0.63 -0.69 0.00 0.00 174.62 174.00 1wc4 s ILE 1013N 1.20 5.29 -0.11 1.82 1.09 0.33 -1.90 121.20 128.92 1wc4 s ILE 1013Ca -0.02 0.52 0.02 0.00 -1.10 0.00 0.00 60.65 60.07 1wc4 s ILE 1013Cb -0.16 -3.58 0.01 0.00 -1.06 0.00 0.00 42.46 37.67 1wc4 s ILE 1013CO -0.09 0.52 -0.16 -0.22 -0.10 0.00 0.00 174.94 174.89 1wc4 s LEU 1014N -0.44 1.75 -0.07 2.97 0.20 -0.22 -2.19 118.68 120.68 1wc4 s LEU 1014Ca 0.18 -0.43 0.05 0.00 0.69 0.00 0.00 54.13 54.62 1wc4 s LEU 1014Cb -0.14 -1.10 -0.01 0.00 -0.43 0.00 0.00 46.19 44.51 1wc4 s LEU 1014CO 0.06 0.03 -0.24 -0.36 -0.29 0.00 0.00 176.35 175.55 1wc4 s PHE 1015N 0.93 2.49 -0.04 5.38 0.40 -0.93 -0.82 117.98 125.39 1wc4 s PHE 1015Ca -0.08 -0.73 -0.01 0.00 -0.60 0.00 0.00 56.93 55.51 1wc4 s PHE 1015Cb -0.15 -1.63 0.03 0.00 0.51 0.00 0.00 43.02 41.78 1wc4 s PHE 1015CO -0.01 -0.22 0.07 -1.54 0.70 0.00 0.00 175.22 174.22 1wc4 s SER 1016N -0.10 0.08 0.06 1.36 1.04 -0.70 -1.57 113.70 113.87 1wc4 s SER 1016Ca -0.05 0.13 0.04 0.00 0.48 0.00 0.00 55.95 56.55 1wc4 s SER 1016Cb -0.14 0.02 -0.03 0.00 0.10 0.00 0.00 66.02 65.97 1wc4 s SER 1016CO 0.04 -0.15 -0.12 -0.62 0.98 0.00 0.00 173.24 173.38 1wc4 s ASP 1017N 1.20 1.41 0.44 7.02 2.15 0.13 -0.89 116.67 128.13 1wc4 s ASP 1017Ca -0.08 -0.58 0.06 0.00 0.43 0.00 0.00 52.55 52.39 1wc4 s ASP 1017Cb -0.12 -0.03 -0.04 0.00 -0.30 0.00 0.00 42.92 42.43 1wc4 s ASP 1017CO -0.04 -0.10 0.18 0.27 -0.17 0.00 0.00 175.17 175.31 1wc4 s ILE 1018N -1.26 2.09 -0.22 4.11 -4.36 -1.25 0.13 121.20 120.45 1wc4 s ILE 1018Ca -0.04 -1.71 -0.04 0.00 -0.26 0.00 0.00 60.65 58.60 1wc4 s ILE 1018Cb -0.10 -2.81 0.11 0.00 1.25 0.00 0.00 42.46 40.92 1wc4 s ILE 1018CO 0.02 0.00 0.32 -0.69 0.24 0.00 0.00 174.94 174.83 1wc4 s VAL 1019N -2.66 -0.51 0.00 8.37 1.01 -0.44 -4.89 120.40 121.29 1wc4 s VAL 1019Ca 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1wc4 s VAL 1019Cb 0.03 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.69 1wc4 s VAL 1019CO 0.20 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.81 1wc4 n GLY 1020N 5.35 0.07 0.00 4.51 0.00 -1.26 -1.76 105.19 112.10 1wc4 n GLY 1020Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1wc4 n GLY 1020CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1wc4 n PHE 1021N 0.00 0.00 -3.38 1.61 7.35 -1.26 -2.38 117.46 119.40 1wc4 n PHE 1021Ca 0.00 0.00 -0.45 0.00 -0.76 0.00 0.00 57.45 56.24 1wc4 n PHE 1021Cb 0.00 -0.25 -0.05 0.00 0.35 0.00 0.00 39.48 39.54 1wc4 n PHE 1021CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1wc4 s THR 1022N -0.65 5.11 0.04 -2.13 2.01 -1.26 0.17 115.64 118.91 1wc4 s THR 1022Ca 0.00 -1.96 0.00 0.00 0.31 0.00 0.00 61.69 60.04 1wc4 s THR 1022Cb 0.00 -4.24 0.00 0.00 0.01 0.00 0.00 72.50 68.27 1wc4 s THR 1022CO 0.00 -0.91 0.00 -1.14 -0.69 0.00 0.00 174.62 171.88 1wc4 n ARG 1023N 4.66 0.00 0.07 4.92 3.00 -1.26 -4.77 116.66 123.29 1wc4 n ARG 1023Ca -0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.71 1wc4 n ARG 1023Cb 0.42 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.80 1wc4 n ARG 1023CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.63 179.61 1wc4 h MET 1024N 0.00 -0.24 0.00 -0.14 4.05 -0.71 -3.05 114.93 114.84 1wc4 h MET 1024Ca 0.00 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.43 1wc4 h MET 1024Cb 0.00 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 30.85 1wc4 h MET 1024CO 0.00 0.17 -0.05 0.66 0.23 0.00 0.00 176.91 177.93 1wc4 h SER 1025N -0.79 0.00 -0.54 1.39 4.64 0.14 -0.63 113.55 117.77 1wc4 h SER 1025Ca -0.03 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.40 1wc4 h SER 1025Cb 0.52 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.58 1wc4 h SER 1025CO 0.04 0.05 0.37 -0.55 -0.87 0.00 0.00 176.83 175.86 1wc4 h ASN 1026N 0.00 0.27 0.13 4.97 -1.07 -1.68 0.32 115.58 118.52 1wc4 h ASN 1026Ca -0.00 0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.38 1wc4 h ASN 1026Cb 0.27 -0.05 0.00 0.00 -2.07 0.00 0.00 38.32 36.47 1wc4 h ASN 1026CO 0.01 0.16 0.00 0.00 0.07 0.00 0.00 177.43 177.67 1wc4 n ALA 1027N -2.54 1.85 -2.22 4.14 0.00 -0.24 -4.77 120.51 116.72 1wc4 n ALA 1027Ca 0.09 -0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.33 1wc4 n ALA 1027Cb 0.39 -1.21 -0.10 0.00 0.00 0.00 0.00 19.45 18.53 1wc4 n ALA 1027CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1wc4 s LEU 1028N -2.33 1.86 0.59 0.00 0.05 0.11 -5.12 118.68 113.85 1wc4 s LEU 1028Ca 0.15 -1.23 -0.07 0.00 0.05 0.00 0.00 54.13 53.02 1wc4 s LEU 1028Cb 0.09 0.11 -0.01 0.00 -2.05 0.00 0.00 46.19 44.33 1wc4 s LEU 1028CO 0.17 -0.67 0.93 -1.58 -0.55 0.00 0.00 176.35 174.66 1wc4 s GLN 1029N -4.00 3.12 0.00 1.48 0.74 -1.26 -4.81 119.66 114.94 1wc4 s GLN 1029Ca 0.27 0.22 0.00 0.00 0.05 0.00 0.00 55.36 55.91 1wc4 s GLN 1029Cb 0.07 -2.22 0.00 0.00 1.10 0.00 0.00 33.01 31.96 1wc4 s GLN 1029CO 0.05 -0.64 0.28 0.45 -0.55 0.00 0.00 175.29 174.88 1wc4 n SER 1030N -2.62 0.00 0.12 6.67 2.88 -1.26 0.21 113.62 119.62 1wc4 n SER 1030Ca 0.04 0.28 0.12 0.00 -1.33 0.00 0.00 58.87 57.98 1wc4 n SER 1030Cb 0.57 -0.10 0.26 0.00 -0.75 0.00 0.00 64.21 64.19 1wc4 n SER 1030CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1wc4 h GLN 1031N 0.00 0.00 -0.21 -1.46 5.75 -1.99 2.12 115.11 119.32 1wc4 h GLN 1031Ca 0.00 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.32 1wc4 h GLN 1031Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1wc4 h GLN 1031CO 0.00 0.00 -0.58 0.78 -2.65 0.00 0.00 178.83 176.38 1wc4 h GLY 1032N 0.00 0.85 0.78 2.39 0.00 0.22 -2.02 103.07 105.29 1wc4 h GLY 1032Ca 0.19 -1.07 -0.04 0.00 0.00 0.00 0.00 47.33 46.41 1wc4 h GLY 1032CO -0.00 0.96 -0.05 -2.08 0.00 0.00 0.00 176.54 175.36 1wc4 h VAL 1033N 0.51 1.29 -0.82 4.60 2.07 0.36 -2.14 116.25 122.12 1wc4 h VAL 1033Ca -0.01 -1.04 0.12 0.00 0.82 0.00 0.00 66.70 66.59 1wc4 h VAL 1033Cb 1.20 1.62 -0.06 0.00 -1.52 0.00 0.00 31.29 32.53 1wc4 h VAL 1033CO 0.13 0.31 0.53 0.00 0.02 0.00 0.00 177.57 178.56 1wc4 h ALA 1034N 0.71 1.86 0.00 1.67 0.00 -1.48 0.98 119.26 123.00 1wc4 h ALA 1034Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1wc4 h ALA 1034Cb 0.50 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1wc4 h ALA 1034CO 0.02 -0.06 -0.32 0.93 0.00 0.00 0.00 179.25 179.82 1wc4 h GLU 1035N 0.65 0.00 0.00 0.00 5.08 -1.14 -3.17 114.58 116.00 1wc4 h GLU 1035Ca 0.39 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.63 1wc4 h GLU 1035Cb 0.62 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1wc4 h GLU 1035CO -0.16 0.32 -0.65 1.25 -1.00 0.00 0.00 179.01 178.77 1wc4 h LEU 1036N 0.00 0.00 -0.81 1.33 5.85 0.39 -3.25 115.31 118.82 1wc4 h LEU 1036Ca -0.00 -0.72 0.12 0.00 0.84 0.00 0.00 57.88 58.11 1wc4 h LEU 1036Cb 1.05 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.00 1wc4 h LEU 1036CO 0.04 1.24 0.42 0.25 -0.34 0.00 0.00 178.44 180.06 1wc4 h LEU 1037N -1.00 0.54 -0.06 2.25 6.46 0.64 -1.93 115.31 122.21 1wc4 h LEU 1037Ca -0.18 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.65 1wc4 h LEU 1037Cb 1.14 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 41.05 1wc4 h LEU 1037CO -0.11 0.27 0.00 0.78 -0.62 0.00 0.00 178.44 178.76 1wc4 h ASN 1038N 0.65 0.11 -0.76 1.25 2.35 -1.72 -0.44 115.58 117.01 1wc4 h ASN 1038Ca 0.42 -0.30 0.18 0.00 -0.55 0.00 0.00 56.30 56.05 1wc4 h ASN 1038Cb 0.52 -0.03 -0.13 0.00 0.05 0.00 0.00 38.32 38.73 1wc4 h ASN 1038CO -0.32 0.38 0.09 -0.08 -1.65 0.00 0.00 177.43 175.85 1wc4 h GLU 1039N -0.17 0.16 0.13 0.81 4.81 -1.43 1.47 114.58 120.37 1wc4 h GLU 1039Ca 0.02 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1wc4 h GLU 1039Cb 0.32 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1wc4 h GLU 1039CO 0.00 0.11 -0.06 -0.92 -0.73 0.00 0.00 179.01 177.41 1wc4 h TYR 1040N 0.17 -0.16 -0.70 0.92 3.20 -1.12 -2.53 116.97 116.75 1wc4 h TYR 1040Ca 0.43 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.44 1wc4 h TYR 1040Cb 0.78 0.05 -0.13 0.00 1.54 0.00 0.00 36.73 38.97 1wc4 h TYR 1040CO -0.35 -0.10 -0.17 -0.07 -1.64 0.00 0.00 178.16 175.84 1wc4 h LEU 1041N -0.18 -0.63 -0.96 2.82 3.38 -0.52 0.24 115.31 119.46 1wc4 h LEU 1041Ca -0.02 0.21 0.29 0.00 0.09 0.00 0.00 57.88 58.45 1wc4 h LEU 1041Cb 0.13 0.43 -0.15 0.00 0.09 0.00 0.00 40.66 41.16 1wc4 h LEU 1041CO 0.03 -0.23 0.44 1.23 0.09 0.00 0.00 178.44 180.00 1wc4 h GLY 1042N 0.00 1.81 0.17 0.83 0.00 0.21 0.27 103.07 106.36 1wc4 h GLY 1042Ca 0.34 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 1wc4 h GLY 1042CO -0.71 -0.45 -0.03 0.83 0.00 0.00 0.00 176.54 176.17 1wc4 h GLU 1043N 0.28 -0.09 -0.86 4.80 4.39 -0.17 -3.04 114.58 119.88 1wc4 h GLU 1043Ca 0.67 0.01 0.22 0.00 0.34 0.00 0.00 59.36 60.60 1wc4 h GLU 1043Cb 1.47 0.02 -0.14 0.00 -0.10 0.00 0.00 28.75 30.00 1wc4 h GLU 1043CO -0.63 0.43 0.20 0.52 -1.16 0.00 0.00 179.01 178.36 1wc4 h MET 1044N -0.92 0.19 -0.16 2.33 2.86 0.96 0.74 114.93 120.92 1wc4 h MET 1044Ca -0.01 -0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.50 1wc4 h MET 1044Cb 0.56 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1wc4 h MET 1044CO 0.02 0.12 -0.42 1.79 1.06 0.00 0.00 176.91 179.49 1wc4 h THR 1045N 0.19 1.31 -0.10 2.22 1.35 -0.68 -2.87 112.91 114.33 1wc4 h THR 1045Ca 0.53 -1.56 -0.03 0.00 -0.55 0.00 0.00 66.41 64.80 1wc4 h THR 1045Cb 1.04 1.64 -0.01 0.00 -1.73 0.00 0.00 68.15 69.09 1wc4 h THR 1045CO -0.65 0.48 -0.06 0.03 -0.25 0.00 0.00 175.52 175.07 1wc4 h ARG 1046N 0.31 0.14 0.00 4.72 3.08 -0.73 -1.06 114.38 120.84 1wc4 h ARG 1046Ca 0.03 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1wc4 h ARG 1046Cb 0.87 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.89 1wc4 h ARG 1046CO 0.07 0.21 0.00 0.00 -1.07 0.00 0.00 179.97 179.19 1wc4 h ALA 1047N 1.81 1.00 0.00 0.04 0.00 -1.25 -2.40 119.26 118.46 1wc4 h ALA 1047Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 1wc4 h ALA 1047Cb 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1wc4 h ALA 1047CO 0.01 0.00 -1.29 0.28 0.00 0.00 0.00 179.25 178.25 1wc4 n VAL 1048N -2.70 1.53 -0.11 0.00 0.31 -0.54 -3.90 118.33 112.91 1wc4 n VAL 1048Ca 0.03 -0.03 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 1wc4 n VAL 1048Cb 0.38 -2.04 0.01 0.00 -0.91 0.00 0.00 33.84 31.28 1wc4 n VAL 1048CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1wc4 h PHE 1049N -1.00 0.36 -0.48 3.52 3.57 -1.28 0.25 116.94 121.88 1wc4 h PHE 1049Ca -0.35 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.16 1wc4 h PHE 1049Cb 1.30 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.91 1wc4 h PHE 1049CO 0.09 0.20 0.28 0.93 -2.23 0.00 0.00 178.31 177.58 1wc4 h GLU 1050N 0.40 0.65 -0.42 1.11 5.08 -1.64 0.64 114.58 120.40 1wc4 h GLU 1050Ca 0.15 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1wc4 h GLU 1050Cb 0.05 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1wc4 h GLU 1050CO -0.10 0.47 0.00 0.09 -1.00 0.00 0.00 179.01 178.47 1wc4 n ASN 1051N -4.43 2.06 -1.06 1.42 3.02 -0.95 -4.90 115.26 110.42 1wc4 n ASN 1051Ca 0.04 -2.07 -0.14 0.00 -0.03 0.00 0.00 54.58 52.38 1wc4 n ASN 1051Cb 0.08 -0.29 -0.06 0.00 -0.61 0.00 0.00 39.78 38.91 1wc4 n ASN 1051CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wc4 n GLN 1052N 0.47 -1.06 -1.77 3.52 6.02 0.22 -4.80 117.38 119.99 1wc4 n GLN 1052Ca 0.12 0.98 -0.30 0.00 -0.01 0.00 0.00 57.00 57.79 1wc4 n GLN 1052Cb 0.35 -5.11 0.19 0.00 1.02 0.00 0.00 30.24 26.70 1wc4 n GLN 1052CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1wc4 s GLY 1053N -2.79 1.73 0.01 1.08 0.00 0.81 -4.96 107.32 103.20 1wc4 s GLY 1053Ca 0.00 -1.11 0.07 0.00 0.00 0.00 0.00 44.72 43.67 1wc4 s GLY 1053CO 0.00 -0.34 -0.19 -1.59 0.00 0.00 0.00 173.10 170.98 1wc4 s THR 1054N -3.70 2.67 -0.53 0.90 2.01 0.35 -4.45 115.64 112.88 1wc4 s THR 1054Ca 0.73 -1.08 -0.12 0.00 0.31 0.00 0.00 61.69 61.52 1wc4 s THR 1054Cb -0.05 -2.06 0.13 0.00 0.01 0.00 0.00 72.50 70.52 1wc4 s THR 1054CO 0.53 0.45 0.45 -0.69 -0.69 0.00 0.00 174.62 174.67 1wc4 s VAL 1055N -0.81 4.75 0.01 3.82 1.01 -1.26 -0.13 120.40 127.78 1wc4 s VAL 1055Ca 0.13 -1.73 -0.02 0.00 0.00 0.00 0.00 61.98 60.35 1wc4 s VAL 1055Cb -0.10 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 1wc4 s VAL 1055CO 0.03 -0.84 1.04 -0.78 0.00 0.00 0.00 175.10 174.55 1wc4 h ASP 1056N 8.57 -0.09 -5.23 3.32 1.82 -1.56 -3.48 116.42 119.76 1wc4 h ASP 1056Ca -0.23 0.01 -0.12 0.00 -0.39 0.00 0.00 57.03 56.30 1wc4 h ASP 1056Cb 1.08 0.03 -0.04 0.00 0.68 0.00 0.00 39.33 41.08 1wc4 h ASP 1056CO 0.93 -0.05 0.05 -1.59 -1.61 0.00 0.00 179.24 176.98 1wc4 s LYS 1057N -3.19 2.02 -0.10 0.28 -2.85 -1.10 -4.94 119.74 109.86 1wc4 s LYS 1057Ca -0.01 -1.52 0.03 0.00 -1.00 0.00 0.00 55.97 53.47 1wc4 s LYS 1057Cb 0.00 0.54 0.01 0.00 -2.06 0.00 0.00 37.83 36.32 1wc4 s LYS 1057CO 0.04 -0.90 -0.21 -0.06 0.10 0.00 0.00 175.35 174.33 1wc4 s PHE 1058N -2.85 2.31 -0.72 1.78 2.99 -1.26 -1.28 117.98 118.94 1wc4 s PHE 1058Ca 0.22 -0.99 0.04 0.00 0.00 0.00 0.00 56.93 56.20 1wc4 s PHE 1058Cb -0.03 -1.57 0.17 0.00 0.00 0.00 0.00 43.02 41.59 1wc4 s PHE 1058CO 0.15 -0.43 0.51 0.08 -0.00 0.00 0.00 175.22 175.53 1wc4 s VAL 1059N 0.54 3.04 0.00 -0.44 1.01 -0.05 -4.96 120.40 119.54 1wc4 s VAL 1059Ca -0.15 -4.20 0.00 0.00 0.00 0.00 0.00 61.98 57.63 1wc4 s VAL 1059Cb -0.17 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1wc4 s VAL 1059CO 0.05 -1.00 0.00 0.61 0.00 0.00 0.00 175.10 174.76 1wc4 n GLY 1060N 2.06 2.28 1.14 4.51 0.00 -1.26 -1.84 105.19 112.08 1wc4 n GLY 1060Ca 0.19 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.15 1wc4 n GLY 1060CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wc4 n ASP 1061N 9.78 3.34 -4.88 1.61 3.85 -1.26 -4.91 116.55 124.08 1wc4 n ASP 1061Ca 0.00 -1.98 -0.35 0.00 -0.71 0.00 0.00 54.79 51.75 1wc4 n ASP 1061Cb 0.00 -0.37 -0.05 0.00 -1.35 0.00 0.00 41.12 39.35 1wc4 n ASP 1061CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1wc4 s ALA 1062N -1.26 3.87 -0.12 2.12 0.00 -0.77 -3.80 121.76 121.80 1wc4 s ALA 1062Ca 0.41 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.80 1wc4 s ALA 1062Cb 0.22 -2.02 0.00 0.00 0.00 0.00 0.00 23.12 21.32 1wc4 s ALA 1062CO 0.30 0.65 -0.22 0.42 0.00 0.00 0.00 175.76 176.90 1wc4 s ILE 1063N -1.20 2.14 -0.15 0.00 1.09 -0.07 -0.87 121.20 122.14 1wc4 s ILE 1063Ca 0.23 -0.97 -0.03 0.00 -1.10 0.00 0.00 60.65 58.78 1wc4 s ILE 1063Cb -0.13 -1.84 -0.02 0.00 -1.06 0.00 0.00 42.46 39.40 1wc4 s ILE 1063CO 0.12 0.55 -0.05 -0.32 -0.10 0.00 0.00 174.94 175.14 1wc4 s MET 1064N 0.60 3.61 0.02 2.79 1.75 -0.41 -1.71 119.30 125.95 1wc4 s MET 1064Ca -0.12 -0.55 0.02 0.00 -1.25 0.00 0.00 55.69 53.79 1wc4 s MET 1064Cb -0.17 -2.87 -0.02 0.00 2.84 0.00 0.00 34.83 34.62 1wc4 s MET 1064CO 0.03 0.21 -0.08 0.00 -0.65 0.00 0.00 175.02 174.54 1wc4 s ALA 1065N 0.42 0.62 0.20 4.11 0.00 -0.00 -1.39 121.76 125.72 1wc4 s ALA 1065Ca -0.05 -0.56 0.09 0.00 0.00 0.00 0.00 51.96 51.43 1wc4 s ALA 1065Cb -0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 1wc4 s ALA 1065CO 0.03 0.07 -0.05 -0.51 0.00 0.00 0.00 175.76 175.31 1wc4 s LEU 1066N -0.94 3.12 -0.15 0.00 1.43 0.81 -1.06 118.68 121.90 1wc4 s LEU 1066Ca -0.03 -0.55 -0.04 0.00 -1.03 0.00 0.00 54.13 52.47 1wc4 s LEU 1066Cb -0.07 -1.75 0.05 0.00 0.03 0.00 0.00 46.19 44.46 1wc4 s LEU 1066CO 0.00 0.07 0.09 -0.31 0.23 0.00 0.00 176.35 176.43 1wc4 s TYR 1067N -1.89 0.16 0.00 0.29 1.51 -0.80 -0.49 117.35 116.13 1wc4 s TYR 1067Ca 0.27 -0.20 0.00 0.00 -1.01 0.00 0.00 57.07 56.14 1wc4 s TYR 1067Cb -0.08 -0.65 0.00 0.00 -0.11 0.00 0.00 41.96 41.12 1wc4 s TYR 1067CO 0.17 -0.45 0.00 0.41 -1.11 0.00 0.00 175.55 174.57 1wc4 n GLY 1068N 5.28 1.45 3.64 0.71 0.00 -1.25 -0.93 105.19 114.10 1wc4 n GLY 1068Ca -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.91 1wc4 n GLY 1068CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wc4 s ALA 1069N -2.00 -2.16 0.37 4.61 0.00 -1.26 -4.52 121.76 116.80 1wc4 s ALA 1069Ca 0.00 1.80 0.15 0.00 0.00 0.00 0.00 51.96 53.91 1wc4 s ALA 1069Cb 0.00 -1.67 0.85 0.00 0.00 0.00 0.00 23.12 22.30 1wc4 s ALA 1069CO 0.00 -0.17 1.87 -1.00 0.00 0.00 0.00 175.76 176.46 1wc4 h PRO 1070N 3.79 0.00 -6.57 0.00 0.13 -1.98 -3.44 132.00 123.93 1wc4 h PRO 1070Ca -0.28 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.33 1wc4 h PRO 1070Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1wc4 h PRO 1070CO 0.16 0.31 0.49 -1.21 -0.23 0.00 0.00 178.00 177.52 1wc4 s GLU 1071N -4.21 4.54 0.39 0.86 2.02 -1.26 -5.01 118.70 116.03 1wc4 s GLU 1071Ca -0.03 1.70 -0.27 0.00 0.02 0.00 0.00 54.97 56.40 1wc4 s GLU 1071Cb 0.14 -3.32 -0.09 0.00 0.10 0.00 0.00 34.13 30.96 1wc4 s GLU 1071CO 0.70 -0.05 1.35 -2.00 0.02 0.00 0.00 175.26 175.29 1wc4 s GLU 1072N 0.25 4.04 -0.22 1.61 2.56 -1.26 -3.94 118.70 121.73 1wc4 s GLU 1072Ca 0.53 2.27 -0.18 0.00 0.00 0.00 0.00 54.97 57.59 1wc4 s GLU 1072Cb -0.28 -2.85 0.06 0.00 2.00 0.00 0.00 34.13 33.06 1wc4 s GLU 1072CO 0.32 -0.48 0.58 1.41 -0.56 0.00 0.00 175.26 176.54 1wc4 s MET 1073N -2.15 0.65 0.23 4.30 -2.45 -1.26 -4.92 119.30 113.71 1wc4 s MET 1073Ca 0.55 0.89 -0.31 0.00 -1.25 0.00 0.00 55.69 55.57 1wc4 s MET 1073Cb -0.41 0.25 -0.11 0.00 1.25 0.00 0.00 34.83 35.82 1wc4 s MET 1073CO 0.53 -0.10 1.60 -1.54 1.05 0.00 0.00 175.02 176.55 1wc4 s SER 1074N 0.69 6.47 0.58 1.11 1.04 -1.26 -4.73 113.70 117.61 1wc4 s SER 1074Ca -0.03 2.80 0.36 0.00 0.48 0.00 0.00 55.95 59.56 1wc4 s SER 1074Cb -0.05 -2.61 1.32 0.00 0.10 0.00 0.00 66.02 64.78 1wc4 s SER 1074CO -0.05 -0.87 1.51 -0.65 0.98 0.00 0.00 173.24 174.16 1wc4 h PRO 1075N 5.87 0.00 0.19 4.02 0.11 -1.98 0.85 132.00 141.06 1wc4 h PRO 1075Ca -0.45 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.39 1wc4 h PRO 1075Cb 1.21 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.35 1wc4 h PRO 1075CO 0.86 0.00 -1.25 0.66 -0.21 0.00 0.00 178.00 178.07 1wc4 h SER 1076N 0.00 0.64 0.06 -2.05 4.64 -2.00 -2.99 113.55 111.84 1wc4 h SER 1076Ca 0.61 -0.93 -0.05 0.00 -0.47 0.00 0.00 61.79 60.95 1wc4 h SER 1076Cb 2.94 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 64.81 1wc4 h SER 1076CO -0.01 1.59 -0.15 -0.33 -0.87 0.00 0.00 176.83 177.06 1wc4 h GLU 1077N -0.10 0.20 -0.17 4.77 4.39 0.22 -1.04 114.58 122.85 1wc4 h GLU 1077Ca -0.23 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1wc4 h GLU 1077Cb 1.92 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.54 1wc4 h GLU 1077CO 0.20 0.36 0.11 1.96 -1.16 0.00 0.00 179.01 180.48 1wc4 h GLN 1078N 0.19 0.22 0.00 2.33 4.20 -0.76 -0.04 115.11 121.25 1wc4 h GLN 1078Ca 0.04 -0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.61 1wc4 h GLN 1078Cb 0.39 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1wc4 h GLN 1078CO 0.02 0.15 -0.57 0.28 -0.67 0.00 0.00 178.83 178.05 1wc4 h VAL 1079N 0.23 1.32 -0.05 -0.54 2.07 -1.30 -2.18 116.25 115.80 1wc4 h VAL 1079Ca 0.06 -2.02 -0.16 0.00 0.82 0.00 0.00 66.70 65.41 1wc4 h VAL 1079Cb -0.02 2.11 0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1wc4 h VAL 1079CO -0.01 0.56 -0.59 -0.09 0.02 0.00 0.00 177.57 177.46 1wc4 h ARG 1080N 0.00 0.49 -0.02 1.57 2.43 -0.89 -2.20 114.38 115.75 1wc4 h ARG 1080Ca -0.01 -0.46 -0.14 0.00 -0.81 0.00 0.00 59.98 58.56 1wc4 h ARG 1080Cb 1.07 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 1wc4 h ARG 1080CO 0.07 1.10 -0.65 0.00 -1.51 0.00 0.00 179.97 178.98 1wc4 h ARG 1081N 0.05 0.10 0.38 0.20 3.08 -1.05 -2.37 114.38 114.76 1wc4 h ARG 1081Ca -0.06 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 1wc4 h ARG 1081Cb 1.26 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1wc4 h ARG 1081CO 0.12 0.71 -0.18 0.00 -1.07 0.00 0.00 179.97 179.55 1wc4 h ALA 1082N 1.27 -0.51 -0.67 0.04 0.00 -1.45 -2.10 119.26 115.83 1wc4 h ALA 1082Ca -0.01 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 54.87 1wc4 h ALA 1082Cb 1.16 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 19.03 1wc4 h ALA 1082CO 0.09 -0.52 -0.06 0.82 0.00 0.00 0.00 179.25 179.58 1wc4 h ILE 1083N -1.03 0.39 0.07 0.00 1.08 -1.45 0.05 117.51 116.61 1wc4 h ILE 1083Ca -0.05 -0.02 0.02 0.00 -0.39 0.00 0.00 64.86 64.42 1wc4 h ILE 1083Cb 0.51 0.32 -0.04 0.00 -3.07 0.00 0.00 36.82 34.53 1wc4 h ILE 1083CO 0.09 0.01 -0.27 0.00 -0.69 0.00 0.00 178.15 177.29 1wc4 h ALA 1084N 1.64 -0.42 -0.51 1.87 0.00 -1.47 -0.41 119.26 119.97 1wc4 h ALA 1084Ca 0.35 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.33 1wc4 h ALA 1084Cb 0.57 0.45 -0.10 0.00 0.00 0.00 0.00 17.79 18.71 1wc4 h ALA 1084CO -0.62 -0.79 -0.13 1.15 0.00 0.00 0.00 179.25 178.85 1wc4 h THR 1085N -0.45 0.48 -0.83 0.00 2.02 -0.31 0.51 112.91 114.33 1wc4 h THR 1085Ca 0.04 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.24 1wc4 h THR 1085Cb 0.50 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 1wc4 h THR 1085CO -0.19 0.00 0.54 0.00 0.37 0.00 0.00 175.52 176.24 1wc4 h ALA 1086N 1.49 1.07 -0.59 6.16 0.00 -0.73 0.56 119.26 127.22 1wc4 h ALA 1086Ca 0.24 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1wc4 h ALA 1086Cb 0.38 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1wc4 h ALA 1086CO -0.53 0.42 0.05 0.00 0.00 0.00 0.00 179.25 179.19 1wc4 h ARG 1087N 1.09 0.99 -0.42 0.00 3.08 0.79 0.03 114.38 119.93 1wc4 h ARG 1087Ca 0.31 -0.27 -0.14 0.00 0.07 0.00 0.00 59.98 59.95 1wc4 h ARG 1087Cb -0.07 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 1wc4 h ARG 1087CO -0.09 0.94 -0.28 0.37 -1.07 0.00 0.00 179.97 179.84 1wc4 h GLN 1088N 0.92 0.94 0.06 0.04 4.15 0.73 -2.93 115.11 119.02 1wc4 h GLN 1088Ca 0.18 -0.45 -0.00 0.00 0.77 0.00 0.00 58.65 59.15 1wc4 h GLN 1088Cb 0.47 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.15 1wc4 h GLN 1088CO 0.02 1.11 -0.03 0.52 -1.93 0.00 0.00 178.83 178.52 1wc4 h MET 1089N 0.77 -0.08 -0.05 1.69 2.86 0.55 -2.56 114.93 118.11 1wc4 h MET 1089Ca 0.08 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.75 1wc4 h MET 1089Cb 0.87 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.54 1wc4 h MET 1089CO 0.08 -0.03 0.11 1.25 1.06 0.00 0.00 176.91 179.38 1wc4 h LEU 1090N -0.11 0.00 0.20 1.22 6.46 -0.96 -1.62 115.31 120.50 1wc4 h LEU 1090Ca -0.01 0.00 -0.35 0.00 -0.12 0.00 0.00 57.88 57.40 1wc4 h LEU 1090Cb 0.09 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.03 1wc4 h LEU 1090CO 0.01 0.00 -1.73 0.58 -0.62 0.00 0.00 178.44 176.69 1wc4 h VAL 1091N 0.00 0.97 -0.23 1.05 2.07 -1.29 -3.23 116.25 115.60 1wc4 h VAL 1091Ca 0.03 -2.53 -0.07 0.00 0.82 0.00 0.00 66.70 64.95 1wc4 h VAL 1091Cb 0.25 2.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 1wc4 h VAL 1091CO -0.00 0.85 -0.17 0.00 0.02 0.00 0.00 177.57 178.27 1wc4 h ALA 1092N 0.11 1.28 0.35 1.67 0.00 -0.94 0.09 119.26 121.83 1wc4 h ALA 1092Ca -0.34 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 1wc4 h ALA 1092Cb 2.11 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.76 1wc4 h ALA 1092CO 0.19 0.47 -0.31 1.25 0.00 0.00 0.00 179.25 180.85 1wc4 h LEU 1093N 0.36 -0.83 -1.32 0.00 5.85 -1.45 2.26 115.31 120.18 1wc4 h LEU 1093Ca 0.06 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.93 1wc4 h LEU 1093Cb 0.52 0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.77 1wc4 h LEU 1093CO 0.03 -0.45 0.52 -0.33 -0.34 0.00 0.00 178.44 177.87 1wc4 h GLU 1094N -0.68 0.77 -0.47 1.25 5.08 -1.51 0.94 114.58 119.97 1wc4 h GLU 1094Ca -0.02 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1wc4 h GLU 1094Cb 0.60 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1wc4 h GLU 1094CO -0.04 0.51 -0.10 -0.22 -1.00 0.00 0.00 179.01 178.17 1wc4 h LYS 1095N 0.80 0.85 0.12 2.33 3.64 0.12 -2.42 116.57 122.01 1wc4 h LYS 1095Ca 0.35 -0.29 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1wc4 h LYS 1095Cb 0.33 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1wc4 h LYS 1095CO -0.13 0.92 -0.06 -0.07 -2.27 0.00 0.00 179.45 177.84 1wc4 h LEU 1096N 0.77 -0.13 -0.81 5.20 3.38 0.66 -2.93 115.31 121.46 1wc4 h LEU 1096Ca 0.13 -0.43 0.11 0.00 0.09 0.00 0.00 57.88 57.77 1wc4 h LEU 1096Cb 0.60 0.03 -0.13 0.00 0.09 0.00 0.00 40.66 41.26 1wc4 h LEU 1096CO 0.04 0.46 -0.47 0.78 0.09 0.00 0.00 178.44 179.35 1wc4 h ASN 1097N -0.84 -1.66 -0.76 -0.43 2.35 0.74 0.78 115.58 115.75 1wc4 h ASN 1097Ca -0.02 0.29 0.17 0.00 -0.55 0.00 0.00 56.30 56.19 1wc4 h ASN 1097Cb 0.56 0.78 -0.14 0.00 0.05 0.00 0.00 38.32 39.57 1wc4 h ASN 1097CO 0.03 -0.30 -0.08 -0.61 -1.65 0.00 0.00 177.43 174.82 1wc4 h GLN 1098N -0.11 0.05 -0.55 0.81 5.75 -1.49 0.50 115.11 120.07 1wc4 h GLN 1098Ca 0.22 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.72 1wc4 h GLN 1098Cb 0.53 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.05 1wc4 h GLN 1098CO -0.84 0.03 0.36 0.78 -2.65 0.00 0.00 178.83 176.52 1wc4 h GLY 1099N 0.05 0.78 1.08 2.39 0.00 0.66 -2.05 103.07 105.99 1wc4 h GLY 1099Ca 0.40 -0.29 -0.14 0.00 0.00 0.00 0.00 47.33 47.30 1wc4 h GLY 1099CO -0.72 0.29 -0.28 1.49 0.00 0.00 0.00 176.54 177.31 1wc4 h TRP 1100N 0.75 1.06 0.50 5.60 6.55 0.15 -1.66 115.95 128.90 1wc4 h TRP 1100Ca 0.20 -0.29 -0.01 0.00 0.95 0.00 0.00 58.89 59.74 1wc4 h TRP 1100Cb -0.08 -0.24 -0.02 0.00 -0.86 0.00 0.00 29.16 27.97 1wc4 h TRP 1100CO -0.04 1.10 -0.40 0.37 -1.05 0.00 0.00 178.44 178.42 1wc4 h GLN 1101N 0.73 -0.85 0.00 0.49 5.75 0.01 0.42 115.11 121.65 1wc4 h GLN 1101Ca 0.08 0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 1wc4 h GLN 1101Cb 0.86 0.19 0.00 0.00 1.07 0.00 0.00 27.48 29.61 1wc4 h GLN 1101CO 0.08 -0.57 0.00 0.93 -2.65 0.00 0.00 178.83 176.62 1wc4 h GLU 1102N -0.88 0.00 -0.01 1.69 5.08 -1.39 0.62 114.58 119.69 1wc4 h GLU 1102Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1wc4 h GLU 1102Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1wc4 h GLU 1102CO -0.01 0.00 -0.37 0.54 -1.00 0.00 0.00 179.01 178.17 1wc4 n ARG 1103N -2.51 0.97 -1.22 2.33 1.74 0.71 -4.95 116.66 113.73 1wc4 n ARG 1103Ca -0.02 -0.69 -0.05 0.00 -0.77 0.00 0.00 57.85 56.32 1wc4 n ARG 1103Cb 0.05 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 29.99 1wc4 n ARG 1103CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wc4 n GLY 1104N 1.38 0.72 0.09 -0.13 0.00 0.22 -4.89 105.19 102.57 1wc4 n GLY 1104Ca 0.11 -0.83 0.12 0.00 0.00 0.00 0.00 46.02 45.41 1wc4 n GLY 1104CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wc4 n LEU 1105N -0.57 0.73 -3.86 0.99 4.77 0.09 -4.79 117.00 114.34 1wc4 n LEU 1105Ca -0.05 0.24 -0.11 0.00 -0.03 0.00 0.00 56.01 56.05 1wc4 n LEU 1105Cb 0.19 -0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.10 1wc4 n LEU 1105CO 0.07 -0.12 -0.15 0.68 -1.33 0.00 0.00 177.39 176.55 1wc4 s VAL 1106N -3.32 0.09 -0.54 4.08 -7.23 -1.23 -4.63 120.40 107.62 1wc4 s VAL 1106Ca 0.01 -0.72 -0.00 0.00 -1.81 0.00 0.00 61.98 59.45 1wc4 s VAL 1106Cb 0.11 -0.52 0.00 0.00 0.56 0.00 0.00 36.38 36.53 1wc4 s VAL 1106CO 0.79 -0.40 0.02 0.61 -0.31 0.00 0.00 175.10 175.82 1wc4 n GLY 1107N 1.31 0.13 3.41 2.32 0.00 0.00 -4.15 105.19 108.22 1wc4 n GLY 1107Ca -0.22 -0.60 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 1wc4 n GLY 1107CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wc4 s ARG 1108N -4.39 1.04 -0.57 1.61 3.52 -1.26 -4.82 118.95 114.07 1wc4 s ARG 1108Ca 0.01 -0.15 -0.02 0.00 -0.13 0.00 0.00 55.73 55.44 1wc4 s ARG 1108Cb -0.01 0.48 0.02 0.00 -1.56 0.00 0.00 34.95 33.88 1wc4 s ARG 1108CO 0.02 -0.37 0.09 -1.71 -0.81 0.00 0.00 175.30 172.51 1wc4 n ASN 1109N 0.50 -2.22 -4.08 -2.12 2.85 -1.26 -1.50 115.26 107.43 1wc4 n ASN 1109Ca -0.19 0.21 -0.36 0.00 -0.11 0.00 0.00 54.58 54.13 1wc4 n ASN 1109Cb 0.60 -1.96 -0.02 0.00 1.24 0.00 0.00 39.78 39.64 1wc4 n ASN 1109CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1wc4 n GLU 1110N -2.81 -1.14 -3.61 1.20 4.71 -1.26 -4.95 120.64 112.77 1wc4 n GLU 1110Ca -0.04 0.19 -0.40 0.00 -0.01 0.00 0.00 57.16 56.90 1wc4 n GLU 1110Cb 0.54 -3.43 -0.09 0.00 -1.01 0.00 0.00 31.44 27.44 1wc4 n GLU 1110CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1wc4 s VAL 1111N -3.86 3.99 0.66 2.62 1.01 -0.56 -4.97 120.40 119.28 1wc4 s VAL 1111Ca 0.25 -1.91 -0.17 0.00 0.00 0.00 0.00 61.98 60.15 1wc4 s VAL 1111Cb -0.13 -3.65 -0.06 0.00 0.00 0.00 0.00 36.38 32.55 1wc4 s VAL 1111CO 0.95 -0.76 0.54 -0.81 0.00 0.00 0.00 175.10 175.02 1wc4 n PRO 1112N 4.77 0.41 -0.71 2.72 -0.04 -1.26 -0.82 135.00 140.07 1wc4 n PRO 1112Ca -0.06 0.17 -0.31 0.00 -0.04 0.00 0.00 63.50 63.27 1wc4 n PRO 1112Cb 0.41 -1.79 0.16 0.00 -0.04 0.00 0.00 33.50 32.24 1wc4 n PRO 1112CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1wc4 n PRO 1113N -0.47 -0.41 -2.30 0.54 -0.04 -1.26 -4.67 135.00 126.38 1wc4 n PRO 1113Ca 0.11 -0.05 -0.42 0.00 -0.04 0.00 0.00 63.50 63.10 1wc4 n PRO 1113Cb 0.49 -2.35 -0.03 0.00 -0.04 0.00 0.00 33.50 31.57 1wc4 n PRO 1113CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1wc4 s VAL 1114N -2.59 3.56 0.11 0.52 1.01 -1.26 -4.87 120.40 116.88 1wc4 s VAL 1114Ca 0.67 1.19 0.01 0.00 0.00 0.00 0.00 61.98 63.85 1wc4 s VAL 1114Cb -0.23 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1wc4 s VAL 1114CO 0.58 0.13 0.26 -0.13 0.00 0.00 0.00 175.10 175.94 1wc4 s ARG 1115N 0.54 3.45 -0.03 2.72 0.52 -0.72 -4.91 118.95 120.51 1wc4 s ARG 1115Ca 0.59 -0.51 0.06 0.00 -0.52 0.00 0.00 55.73 55.35 1wc4 s ARG 1115Cb -0.34 -2.99 -0.01 0.00 0.52 0.00 0.00 34.95 32.13 1wc4 s ARG 1115CO 0.33 0.55 -0.23 0.12 0.02 0.00 0.00 175.30 176.10 1wc4 s PHE 1116N -1.64 2.10 -0.09 -0.53 5.36 -1.26 -1.33 117.98 120.58 1wc4 s PHE 1116Ca 0.35 -0.48 -0.00 0.00 -0.96 0.00 0.00 56.93 55.83 1wc4 s PHE 1116Cb -0.12 -1.37 0.02 0.00 -0.34 0.00 0.00 43.02 41.22 1wc4 s PHE 1116CO 0.28 -0.10 -0.06 1.03 -1.46 0.00 0.00 175.22 174.92 1wc4 s ARG 1117N -0.37 1.23 -0.04 10.12 0.52 0.12 0.17 118.95 130.70 1wc4 s ARG 1117Ca 0.04 -0.15 0.03 0.00 -0.52 0.00 0.00 55.73 55.13 1wc4 s ARG 1117Cb -0.10 -1.34 0.00 0.00 0.52 0.00 0.00 34.95 34.02 1wc4 s ARG 1117CO 0.01 -0.24 -0.13 0.00 0.02 0.00 0.00 175.30 174.96 1wc4 s GLY 1119N 0.23 0.49 0.03 0.00 0.00 -0.61 -1.05 107.32 106.41 1wc4 s GLY 1119Ca -0.06 -0.19 0.05 0.00 0.00 0.00 0.00 44.72 44.52 1wc4 s GLY 1119CO 0.02 0.17 -0.15 -0.42 0.00 0.00 0.00 173.10 172.71 1wc4 s ILE 1120N 0.54 1.22 0.04 0.90 1.01 0.36 -2.18 121.20 123.09 1wc4 s ILE 1120Ca -0.08 -0.98 -0.16 0.00 0.00 0.00 0.00 60.65 59.43 1wc4 s ILE 1120Cb -0.12 -1.08 0.03 0.00 0.01 0.00 0.00 42.46 41.30 1wc4 s ILE 1120CO 0.01 0.09 0.35 -2.28 0.00 0.00 0.00 174.94 173.11 1wc4 s HIS 1121N -0.77 -0.18 0.01 3.97 2.46 -0.93 -2.28 115.29 117.56 1wc4 s HIS 1121Ca 0.03 0.12 0.06 0.00 0.47 0.00 0.00 55.06 55.74 1wc4 s HIS 1121Cb -0.08 0.15 -0.02 0.00 -0.13 0.00 0.00 32.58 32.50 1wc4 s HIS 1121CO 0.01 -0.52 -0.18 -1.14 -2.47 0.00 0.00 174.74 170.44 1wc4 s GLN 1122N -2.36 1.37 0.00 2.88 0.74 -1.26 -0.51 119.66 120.52 1wc4 s GLN 1122Ca -0.06 -0.76 0.00 0.00 0.05 0.00 0.00 55.36 54.59 1wc4 s GLN 1122Cb -0.01 -1.39 0.00 0.00 1.10 0.00 0.00 33.01 32.71 1wc4 s GLN 1122CO -0.02 0.37 0.00 0.41 -0.55 0.00 0.00 175.29 175.50 1wc4 n GLY 1123N 2.29 -1.24 3.81 2.59 0.00 -0.64 -4.84 105.19 107.16 1wc4 n GLY 1123Ca -0.16 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.58 1wc4 n GLY 1123CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wc4 s MET 1124N -0.73 4.02 -0.29 1.61 -1.94 -1.26 -1.68 119.30 119.03 1wc4 s MET 1124Ca 0.00 1.26 -0.16 0.00 -1.71 0.00 0.00 55.69 55.08 1wc4 s MET 1124Cb 0.00 -2.17 0.15 0.00 2.01 0.00 0.00 34.83 34.82 1wc4 s MET 1124CO 0.00 -0.23 0.97 0.00 -0.01 0.00 0.00 175.02 175.75 1wc4 s ALA 1125N -2.04 -2.28 -0.43 3.03 0.00 0.11 -4.34 121.76 115.80 1wc4 s ALA 1125Ca 0.64 2.21 -0.28 0.00 0.00 0.00 0.00 51.96 54.52 1wc4 s ALA 1125Cb -0.13 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.28 1wc4 s ALA 1125CO 0.17 -0.36 1.50 0.08 0.00 0.00 0.00 175.76 177.15 1wc4 s VAL 1126N 1.36 3.78 -0.07 0.00 1.01 -1.10 -1.83 120.40 123.55 1wc4 s VAL 1126Ca -0.09 0.77 -0.08 0.00 0.00 0.00 0.00 61.98 62.58 1wc4 s VAL 1126Cb -0.04 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1wc4 s VAL 1126CO -0.15 -0.78 0.21 -0.69 0.00 0.00 0.00 175.10 173.69 1wc4 s VAL 1127N 5.97 5.39 -5.00 2.92 1.01 0.20 -2.13 120.40 128.76 1wc4 s VAL 1127Ca 0.63 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.87 1wc4 s VAL 1127Cb -0.14 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1wc4 s VAL 1127CO 0.31 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.56 1wc4 n GLY 1128N 1.71 0.20 3.67 4.51 0.00 -0.83 -1.36 105.19 113.09 1wc4 n GLY 1128Ca -0.17 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 1wc4 n GLY 1128CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wc4 s LEU 1129N 0.00 4.28 0.01 0.99 1.43 -0.71 -1.67 118.68 123.01 1wc4 s LEU 1129Ca 0.00 2.05 0.08 0.00 -1.03 0.00 0.00 54.13 55.23 1wc4 s LEU 1129Cb 0.00 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.65 1wc4 s LEU 1129CO 0.00 -0.81 -0.24 -0.36 0.23 0.00 0.00 176.35 175.16 1wc4 s PHE 1130N 3.35 2.14 0.00 0.29 0.40 0.59 -4.48 117.98 120.28 1wc4 s PHE 1130Ca 0.65 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.58 1wc4 s PHE 1130Cb -0.30 -1.34 0.00 0.00 0.51 0.00 0.00 43.02 41.89 1wc4 s PHE 1130CO 0.24 0.02 0.00 0.41 0.70 0.00 0.00 175.22 176.60 1wc4 n GLY 1131N 2.22 0.32 3.64 4.36 0.00 -1.26 -0.65 105.19 113.82 1wc4 n GLY 1131Ca -0.16 -1.46 -0.05 0.00 0.00 0.00 0.00 46.02 44.35 1wc4 n GLY 1131CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wc4 s SER 1132N -4.00 -0.52 0.00 1.61 0.15 0.67 -4.91 113.70 106.70 1wc4 s SER 1132Ca 0.00 0.90 0.00 0.00 0.70 0.00 0.00 55.95 57.55 1wc4 s SER 1132Cb 0.00 1.10 0.00 0.00 -1.71 0.00 0.00 66.02 65.41 1wc4 s SER 1132CO 0.00 -0.15 0.00 0.00 1.20 0.00 0.00 173.24 174.29 1wc4 n GLN 1133N 3.19 0.00 -0.09 5.44 6.02 -1.26 0.16 117.38 130.84 1wc4 n GLN 1133Ca -0.16 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.76 1wc4 n GLN 1133Cb 0.57 0.00 0.11 0.00 1.02 0.00 0.00 30.24 31.94 1wc4 n GLN 1133CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1wc4 h GLU 1134N 0.00 0.76 -1.78 -1.09 5.08 -2.03 -3.45 114.58 112.07 1wc4 h GLU 1134Ca 0.00 -0.29 0.02 0.00 -1.00 0.00 0.00 59.36 58.09 1wc4 h GLU 1134Cb 0.00 -0.05 -0.24 0.00 0.50 0.00 0.00 28.75 28.97 1wc4 h GLU 1134CO 0.00 0.89 0.30 0.50 -1.00 0.00 0.00 179.01 179.71 1wc4 s ARG 1135N -4.66 0.65 -0.28 2.33 6.06 0.43 -5.17 118.95 118.31 1wc4 s ARG 1135Ca -0.09 0.78 -0.23 0.00 -2.50 0.00 0.00 55.73 53.69 1wc4 s ARG 1135Cb 0.13 0.31 0.12 0.00 0.06 0.00 0.00 34.95 35.58 1wc4 s ARG 1135CO 0.83 -0.08 1.00 -1.54 -2.50 0.00 0.00 175.30 173.01 1wc4 s SER 1136N 0.33 -0.49 0.25 -2.12 1.04 -1.26 0.24 113.70 111.69 1wc4 s SER 1136Ca 0.01 0.90 0.08 0.00 0.48 0.00 0.00 55.95 57.43 1wc4 s SER 1136Cb -0.05 0.98 -0.05 0.00 0.10 0.00 0.00 66.02 67.00 1wc4 s SER 1136CO -0.03 -0.15 -0.12 -1.81 0.98 0.00 0.00 173.24 172.10 1wc4 s ASP 1137N 0.49 2.85 -0.05 7.02 1.01 0.18 -4.82 116.67 123.34 1wc4 s ASP 1137Ca 0.00 -1.09 -0.24 0.00 0.71 0.00 0.00 52.55 51.93 1wc4 s ASP 1137Cb -0.05 -0.18 -0.04 0.00 1.01 0.00 0.00 42.92 43.66 1wc4 s ASP 1137CO -0.08 -0.20 0.73 0.12 0.21 0.00 0.00 175.17 175.95 1wc4 s PHE 1138N -2.90 3.59 -0.08 4.23 5.36 -1.26 -0.30 117.98 126.62 1wc4 s PHE 1138Ca 0.27 1.30 -0.32 0.00 -0.96 0.00 0.00 56.93 57.21 1wc4 s PHE 1138Cb 0.00 -2.83 0.12 0.00 -0.34 0.00 0.00 43.02 39.97 1wc4 s PHE 1138CO 0.10 0.09 1.13 -0.08 -1.46 0.00 0.00 175.22 175.00 1wc4 s THR 1139N 0.77 0.00 0.18 0.12 -1.32 -0.67 -4.85 115.64 109.87 1wc4 s THR 1139Ca 0.39 -0.10 0.01 0.00 -1.21 0.00 0.00 61.69 60.78 1wc4 s THR 1139Cb -0.18 -1.29 -0.04 0.00 -1.51 0.00 0.00 72.50 69.48 1wc4 s THR 1139CO 0.19 0.00 0.34 0.00 -2.21 0.00 0.00 174.62 172.94 1wc4 s ALA 1140N -2.65 3.91 -0.03 11.08 0.00 -1.26 -1.96 121.76 130.84 1wc4 s ALA 1140Ca 0.10 -0.95 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 1wc4 s ALA 1140Cb 0.00 -1.87 0.01 0.00 0.00 0.00 0.00 23.12 21.26 1wc4 s ALA 1140CO -0.05 0.47 0.10 0.42 0.00 0.00 0.00 175.76 176.70 1wc4 s ILE 1141N -1.81 0.00 0.00 0.00 -1.09 -0.91 -4.98 121.20 112.41 1wc4 s ILE 1141Ca 0.36 -0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.76 1wc4 s ILE 1141Cb -0.11 -0.15 0.00 0.00 -1.58 0.00 0.00 42.46 40.62 1wc4 s ILE 1141CO 0.29 -0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.59 1wc4 n GLY 1142N 2.98 2.30 0.34 6.18 0.00 -1.26 -2.72 105.19 113.01 1wc4 n GLY 1142Ca -0.13 -1.80 0.15 0.00 0.00 0.00 0.00 46.02 44.24 1wc4 n GLY 1142CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1wc4 h PRO 1143N 0.00 0.07 0.00 1.61 0.11 -2.00 -0.67 132.00 131.13 1wc4 h PRO 1143Ca 0.00 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 1wc4 h PRO 1143Cb 0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 1wc4 h PRO 1143CO 0.00 0.05 -0.37 0.77 -0.21 0.00 0.00 178.00 178.24 1wc4 h SER 1144N 0.08 0.00 -0.05 -2.05 0.02 -1.90 -0.83 113.55 108.81 1wc4 h SER 1144Ca 0.17 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.91 1wc4 h SER 1144Cb 0.59 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.14 1wc4 h SER 1144CO -0.01 0.37 -0.79 0.58 -1.14 0.00 0.00 176.83 175.84 1wc4 h VAL 1145N 0.00 1.33 -0.14 2.27 2.07 -1.43 -2.83 116.25 117.52 1wc4 h VAL 1145Ca -0.00 -2.08 0.04 0.00 0.82 0.00 0.00 66.70 65.48 1wc4 h VAL 1145Cb 0.71 2.32 -0.04 0.00 -1.52 0.00 0.00 31.29 32.76 1wc4 h VAL 1145CO 0.05 0.63 -0.11 -1.13 0.02 0.00 0.00 177.57 177.04 1wc4 h ASN 1146N 0.25 -0.34 -0.06 0.57 -1.24 -1.17 -2.30 115.58 111.30 1wc4 h ASN 1146Ca -0.08 0.07 0.02 0.00 0.71 0.00 0.00 56.30 57.02 1wc4 h ASN 1146Cb 1.45 0.17 -0.06 0.00 0.73 0.00 0.00 38.32 40.61 1wc4 h ASN 1146CO 0.16 -0.14 -0.54 0.40 -1.29 0.00 0.00 177.43 176.01 1wc4 h ILE 1147N -0.12 0.00 -0.34 2.57 2.04 -1.11 0.35 117.51 120.90 1wc4 h ILE 1147Ca 0.09 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.02 1wc4 h ILE 1147Cb 0.25 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.24 1wc4 h ILE 1147CO -0.21 0.00 -0.25 0.00 0.00 0.00 0.00 178.15 177.69 1wc4 h ALA 1148N -0.37 -0.07 -0.58 1.87 0.00 -1.40 0.16 119.26 118.87 1wc4 h ALA 1148Ca 0.02 0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1wc4 h ALA 1148Cb 0.71 0.56 -0.08 0.00 0.00 0.00 0.00 17.79 18.98 1wc4 h ALA 1148CO -0.40 -0.65 0.17 0.00 0.00 0.00 0.00 179.25 178.37 1wc4 h ALA 1149N 0.90 0.71 -0.25 0.00 0.00 -0.82 0.14 119.26 119.94 1wc4 h ALA 1149Ca 0.17 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 1wc4 h ALA 1149Cb 0.48 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1wc4 h ALA 1149CO -0.46 -0.26 -0.19 0.00 0.00 0.00 0.00 179.25 178.35 1wc4 h ARG 1150N 0.32 0.44 -0.40 0.00 2.47 -0.18 -1.85 114.38 115.19 1wc4 h ARG 1150Ca 0.30 -0.14 -0.05 0.00 -1.26 0.00 0.00 59.98 58.82 1wc4 h ARG 1150Cb 0.40 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.66 1wc4 h ARG 1150CO -0.34 0.62 0.03 -0.07 0.56 0.00 0.00 179.97 180.77 1wc4 h LEU 1151N 0.40 0.58 -0.37 3.04 3.38 0.12 -1.88 115.31 120.59 1wc4 h LEU 1151Ca 0.07 -0.11 -0.18 0.00 0.09 0.00 0.00 57.88 57.75 1wc4 h LEU 1151Cb 0.56 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1wc4 h LEU 1151CO 0.04 0.63 -0.82 -0.61 0.09 0.00 0.00 178.44 177.77 1wc4 h GLN 1152N 0.59 0.11 0.00 1.13 -0.00 -0.60 -2.67 115.11 113.67 1wc4 h GLN 1152Ca 0.13 -0.12 -0.02 0.00 -0.00 0.00 0.00 58.65 58.64 1wc4 h GLN 1152Cb 0.33 0.03 -0.00 0.00 0.00 0.00 0.00 27.48 27.84 1wc4 h GLN 1152CO 0.01 0.87 -0.09 0.93 0.00 0.00 0.00 178.83 180.55 1wc4 h GLU 1153N 0.06 0.00 0.00 1.69 5.08 -1.03 -3.33 114.58 117.05 1wc4 h GLU 1153Ca -0.03 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.09 1wc4 h GLU 1153Cb 1.43 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.64 1wc4 h GLU 1153CO 0.12 0.09 -1.65 0.00 -1.00 0.00 0.00 179.01 176.57 1wc4 n ALA 1154N -2.13 1.69 -1.52 3.43 0.00 -0.74 -4.97 120.51 116.27 1wc4 n ALA 1154Ca 0.03 -0.72 -0.34 0.00 0.00 0.00 0.00 53.44 52.41 1wc4 n ALA 1154Cb 0.49 -0.84 0.05 0.00 0.00 0.00 0.00 19.45 19.16 1wc4 n ALA 1154CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1wc4 s THR 1155N -2.73 2.89 1.19 0.00 -1.32 -1.02 -5.00 115.64 109.64 1wc4 s THR 1155Ca -0.04 0.45 -0.13 0.00 -1.21 0.00 0.00 61.69 60.75 1wc4 s THR 1155Cb 0.08 -3.01 0.30 0.00 -1.51 0.00 0.00 72.50 68.35 1wc4 s THR 1155CO 0.82 -0.22 1.02 0.00 -2.21 0.00 0.00 174.62 174.03 1wc4 s ALA 1156N -2.08 -0.61 0.56 11.08 0.00 -1.26 -4.94 121.76 124.51 1wc4 s ALA 1156Ca 0.71 -0.19 -0.20 0.00 0.00 0.00 0.00 51.96 52.29 1wc4 s ALA 1156Cb -0.24 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 1wc4 s ALA 1156CO 0.40 -3.94 1.19 -2.14 0.00 0.00 0.00 175.76 171.28 1wc4 s PRO 1157N -4.46 3.15 -1.29 0.00 0.02 -1.26 -3.52 135.00 127.64 1wc4 s PRO 1157Ca 0.69 1.80 -0.11 0.00 0.02 0.00 0.00 61.00 63.40 1wc4 s PRO 1157Cb -0.25 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.26 1wc4 s PRO 1157CO 0.65 -1.06 0.58 0.09 -0.33 0.00 0.00 177.00 176.93 1wc4 n ASN 1158N -1.37 -2.48 -3.78 2.53 3.02 0.45 -4.88 115.26 108.74 1wc4 n ASN 1158Ca 0.12 -1.04 -0.09 0.00 -0.03 0.00 0.00 54.58 53.54 1wc4 n ASN 1158Cb 0.49 -3.05 -0.06 0.00 -0.61 0.00 0.00 39.78 36.55 1wc4 n ASN 1158CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1wc4 s SER 1159N -3.97 -0.03 -0.16 6.41 1.04 -1.14 -4.97 113.70 110.87 1wc4 s SER 1159Ca 0.22 -0.55 0.01 0.00 0.48 0.00 0.00 55.95 56.11 1wc4 s SER 1159Cb -0.09 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.46 1wc4 s SER 1159CO 0.89 -0.81 -0.19 -0.63 0.98 0.00 0.00 173.24 173.47 1wc4 s ILE 1160N -3.85 1.97 -0.09 -1.02 1.01 -1.26 -2.49 121.20 115.46 1wc4 s ILE 1160Ca 0.06 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.84 1wc4 s ILE 1160Cb 0.03 -1.78 -0.02 0.00 0.01 0.00 0.00 42.46 40.71 1wc4 s ILE 1160CO -0.10 0.53 -0.15 -0.32 0.00 0.00 0.00 174.94 174.90 1wc4 s MET 1161N 1.21 2.93 0.17 2.79 1.75 -0.22 -1.56 119.30 126.38 1wc4 s MET 1161Ca 0.02 -0.71 0.05 0.00 -1.25 0.00 0.00 55.69 53.80 1wc4 s MET 1161Cb -0.14 -2.48 -0.05 0.00 2.84 0.00 0.00 34.83 35.01 1wc4 s MET 1161CO -0.10 0.40 -0.10 0.14 -0.65 0.00 0.00 175.02 174.72 1wc4 s VAL 1162N -0.16 1.29 0.58 10.11 -7.23 0.18 -0.49 120.40 124.69 1wc4 s VAL 1162Ca -0.01 -2.09 -0.06 0.00 -1.81 0.00 0.00 61.98 58.00 1wc4 s VAL 1162Cb -0.14 -1.98 -0.00 0.00 0.56 0.00 0.00 36.38 34.82 1wc4 s VAL 1162CO 0.03 -0.64 0.90 -0.94 -0.31 0.00 0.00 175.10 174.14 1wc4 s SER 1163N -3.23 5.78 0.21 4.85 1.04 -0.97 -0.07 113.70 121.31 1wc4 s SER 1163Ca 0.20 0.84 -0.09 0.00 0.48 0.00 0.00 55.95 57.38 1wc4 s SER 1163Cb 0.02 -1.90 0.23 0.00 0.10 0.00 0.00 66.02 64.48 1wc4 s SER 1163CO 0.03 -0.96 1.82 0.00 0.98 0.00 0.00 173.24 175.11 1wc4 h ALA 1164N -0.13 0.90 -1.16 5.32 0.00 -1.89 0.13 119.26 122.44 1wc4 h ALA 1164Ca -0.46 0.01 0.33 0.00 0.00 0.00 0.00 54.91 54.79 1wc4 h ALA 1164Cb 1.24 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.79 1wc4 h ALA 1164CO 0.61 0.09 0.77 1.98 0.00 0.00 0.00 179.25 182.70 1wc4 h MET 1165N 0.73 0.22 0.11 0.00 1.85 -1.89 -0.65 114.93 115.29 1wc4 h MET 1165Ca 0.30 -0.01 -0.28 0.00 -0.61 0.00 0.00 59.70 59.09 1wc4 h MET 1165Cb 0.15 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.13 1wc4 h MET 1165CO -0.17 0.14 -1.44 0.28 -0.40 0.00 0.00 176.91 175.33 1wc4 h VAL 1166N 0.23 1.00 -0.08 -5.77 2.07 -1.17 -3.37 116.25 109.16 1wc4 h VAL 1166Ca 0.65 -2.38 0.02 0.00 0.82 0.00 0.00 66.70 65.81 1wc4 h VAL 1166Cb 1.98 2.68 -0.00 0.00 -1.52 0.00 0.00 31.29 34.42 1wc4 h VAL 1166CO -0.25 0.70 0.07 0.00 0.02 0.00 0.00 177.57 178.11 1wc4 h ALA 1167N -0.06 1.82 0.00 1.67 0.00 0.51 -2.28 119.26 120.93 1wc4 h ALA 1167Ca -0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1wc4 h ALA 1167Cb 1.75 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1wc4 h ALA 1167CO 0.05 -0.11 0.00 -0.56 0.00 0.00 0.00 179.25 178.63 1wc4 h GLN 1168N 0.00 0.00 -0.01 0.00 3.07 -1.45 0.26 115.11 116.98 1wc4 h GLN 1168Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.78 1wc4 h GLN 1168Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.74 1wc4 h GLN 1168CO -0.00 0.00 -0.67 0.66 0.09 0.00 0.00 178.83 178.91 1wc4 n TYR 1169N -2.45 0.00 -3.68 0.06 4.02 -0.86 -4.92 117.16 109.34 1wc4 n TYR 1169Ca -0.02 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.51 1wc4 n TYR 1169Cb 0.05 -0.01 -0.09 0.00 -0.02 0.00 0.00 39.34 39.27 1wc4 n TYR 1169CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1wc4 s VAL 1170N -2.69 5.37 0.38 -0.72 1.01 0.90 -5.02 120.40 119.63 1wc4 s VAL 1170Ca 0.15 0.18 -0.24 0.00 0.00 0.00 0.00 61.98 62.06 1wc4 s VAL 1170Cb 0.17 -3.49 -0.13 0.00 0.00 0.00 0.00 36.38 32.94 1wc4 s VAL 1170CO 0.69 0.37 0.73 -2.65 0.00 0.00 0.00 175.10 174.23 1wc4 n PRO 1171N 4.09 0.83 -0.21 2.72 -0.02 -1.26 -4.87 135.00 136.28 1wc4 n PRO 1171Ca -0.15 0.30 -0.03 0.00 -2.02 0.00 0.00 63.50 61.59 1wc4 n PRO 1171Cb 0.52 -1.65 0.07 0.00 -0.02 0.00 0.00 33.50 32.42 1wc4 n PRO 1171CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1wc4 h ASP 1172N 1.18 0.55 0.51 2.55 3.32 -1.97 -2.51 116.42 120.05 1wc4 h ASP 1172Ca -0.40 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1wc4 h ASP 1172Cb 1.38 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1wc4 h ASP 1172CO 0.55 0.37 0.00 -1.84 -1.72 0.00 0.00 179.24 176.60 1wc4 n GLU 1173N -4.78 0.01 0.00 3.56 0.00 -1.26 -2.10 120.64 116.07 1wc4 n GLU 1173Ca 0.06 0.26 0.13 0.00 0.00 0.00 0.00 57.16 57.61 1wc4 n GLU 1173Cb 0.12 -1.51 0.44 0.00 0.00 0.00 0.00 31.44 30.49 1wc4 n GLU 1173CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1wc4 n GLU 1174N -1.52 1.09 -3.33 3.44 1.02 -0.94 -4.56 120.64 115.83 1wc4 n GLU 1174Ca 0.03 -0.62 -0.44 0.00 -0.02 0.00 0.00 57.16 56.11 1wc4 n GLU 1174Cb 0.17 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.03 1wc4 n GLU 1174CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1wc4 s ILE 1175N -2.34 5.15 0.09 -3.67 1.01 -0.89 0.99 121.20 121.54 1wc4 s ILE 1175Ca 0.29 -0.94 -0.23 0.00 0.00 0.00 0.00 60.65 59.77 1wc4 s ILE 1175Cb 0.20 -4.17 -0.14 0.00 0.01 0.00 0.00 42.46 38.36 1wc4 s ILE 1175CO 0.46 -0.64 1.72 0.40 0.00 0.00 0.00 174.94 176.88 1wc4 h ILE 1176N 5.78 1.03 -3.26 2.92 1.08 -1.23 -3.46 117.51 120.37 1wc4 h ILE 1176Ca -0.28 -0.08 -0.14 0.00 -0.39 0.00 0.00 64.86 63.97 1wc4 h ILE 1176Cb 1.11 1.02 -0.22 0.00 -3.07 0.00 0.00 36.82 35.66 1wc4 h ILE 1176CO 0.90 0.03 -0.40 -0.75 -0.69 0.00 0.00 178.15 177.23 1wc4 s LYS 1177N -6.08 0.50 -0.06 2.37 2.20 -1.07 -4.98 119.74 112.62 1wc4 s LYS 1177Ca -0.13 -0.15 0.03 0.00 -0.36 0.00 0.00 55.97 55.35 1wc4 s LYS 1177Cb 0.06 0.22 0.01 0.00 -1.51 0.00 0.00 37.83 36.61 1wc4 s LYS 1177CO 0.67 -0.12 -0.15 1.03 -0.36 0.00 0.00 175.35 176.42 1wc4 s ARG 1178N -1.01 1.90 -0.28 4.03 0.52 -1.26 -1.21 118.95 121.64 1wc4 s ARG 1178Ca -0.11 -0.52 -0.19 0.00 -0.52 0.00 0.00 55.73 54.39 1wc4 s ARG 1178Cb -0.05 -1.56 0.10 0.00 0.52 0.00 0.00 34.95 33.96 1wc4 s ARG 1178CO 0.02 0.10 0.81 -2.00 0.02 0.00 0.00 175.30 174.25 1wc4 s GLU 1179N 0.47 0.63 -0.07 3.54 2.12 -0.68 -4.99 118.70 119.71 1wc4 s GLU 1179Ca -0.13 0.97 -0.30 0.00 0.36 0.00 0.00 54.97 55.87 1wc4 s GLU 1179Cb -0.15 0.19 -0.04 0.00 0.26 0.00 0.00 34.13 34.39 1wc4 s GLU 1179CO 0.04 -0.11 1.32 -0.06 -0.54 0.00 0.00 175.26 175.91 1wc4 s PHE 1180N 1.14 2.88 -0.10 5.30 0.40 -1.26 -2.22 117.98 124.12 1wc4 s PHE 1180Ca -0.06 0.94 0.01 0.00 -0.60 0.00 0.00 56.93 57.23 1wc4 s PHE 1180Cb -0.05 -3.56 0.02 0.00 0.51 0.00 0.00 43.02 39.94 1wc4 s PHE 1180CO -0.13 -1.99 -0.12 -0.51 0.70 0.00 0.00 175.22 173.16 1wc4 s LEU 1181N 2.82 1.58 -0.29 -0.37 1.43 0.19 -4.93 118.68 119.10 1wc4 s LEU 1181Ca 0.59 -0.36 -0.28 0.00 -1.03 0.00 0.00 54.13 53.06 1wc4 s LEU 1181Cb -0.26 -0.95 0.01 0.00 0.03 0.00 0.00 46.19 45.01 1wc4 s LEU 1181CO 0.22 -0.01 0.99 -0.70 0.23 0.00 0.00 176.35 177.08 1wc4 s GLU 1182N 1.06 4.10 0.20 1.70 2.12 -1.26 -1.85 118.70 124.76 1wc4 s GLU 1182Ca -0.06 1.03 0.02 0.00 0.36 0.00 0.00 54.97 56.32 1wc4 s GLU 1182Cb -0.15 -3.71 -0.04 0.00 0.26 0.00 0.00 34.13 30.50 1wc4 s GLU 1182CO -0.02 -0.77 0.35 -0.51 -0.54 0.00 0.00 175.26 173.78 1wc4 s LEU 1183N 3.36 4.28 0.51 2.70 1.43 -1.26 -4.98 118.68 124.71 1wc4 s LEU 1183Ca 0.42 0.24 -0.23 0.00 -1.03 0.00 0.00 54.13 53.53 1wc4 s LEU 1183Cb -0.13 -3.01 -0.06 0.00 0.03 0.00 0.00 46.19 43.02 1wc4 s LEU 1183CO 0.12 -0.03 1.39 1.17 0.23 0.00 0.00 176.35 179.23 1wc4 n LYS 1184N -0.87 1.90 -0.38 1.70 4.81 -1.26 -2.20 118.16 121.86 1wc4 n LYS 1184Ca -0.07 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.06 1wc4 n LYS 1184Cb 0.55 -2.60 0.00 0.00 0.02 0.00 0.00 35.03 33.00 1wc4 n LYS 1184CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wc4 n GLY 1185N 0.69 0.63 3.64 3.14 0.00 -1.26 -4.96 105.19 107.08 1wc4 n GLY 1185Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1wc4 n GLY 1185CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wc4 s ILE 1186N -1.87 4.63 -0.07 -0.61 -1.09 -0.94 -5.00 121.20 116.26 1wc4 s ILE 1186Ca 0.00 -0.10 -0.08 0.00 -2.23 0.00 0.00 60.65 58.23 1wc4 s ILE 1186Cb 0.00 -3.05 -0.05 0.00 -1.58 0.00 0.00 42.46 37.78 1wc4 s ILE 1186CO 0.00 0.51 0.34 0.44 -1.23 0.00 0.00 174.94 174.99 1wc4 h ASP 1187N 6.27 -0.21 -3.17 3.58 3.32 -1.93 -3.43 116.42 120.85 1wc4 h ASP 1187Ca -0.40 -0.04 -0.57 0.00 0.02 0.00 0.00 57.03 56.05 1wc4 h ASP 1187Cb 1.18 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.74 1wc4 h ASP 1187CO 0.66 0.27 1.03 -1.61 -1.72 0.00 0.00 179.24 177.87 1wc4 s GLU 1188N -2.44 3.74 0.63 3.56 0.41 -1.26 -4.98 118.70 118.36 1wc4 s GLU 1188Ca -0.05 1.14 -0.17 0.00 -0.41 0.00 0.00 54.97 55.48 1wc4 s GLU 1188Cb 0.00 -3.96 -0.06 0.00 -1.78 0.00 0.00 34.13 28.33 1wc4 s GLU 1188CO 0.15 -1.35 0.58 -2.30 -0.49 0.00 0.00 175.26 171.85 1wc4 n PRO 1189N 7.70 0.48 -4.89 0.39 -0.02 -1.26 -4.85 135.00 132.56 1wc4 n PRO 1189Ca 0.16 0.20 -0.32 0.00 -2.02 0.00 0.00 63.50 61.51 1wc4 n PRO 1189Cb 0.47 -1.80 -0.13 0.00 -0.02 0.00 0.00 33.50 32.02 1wc4 n PRO 1189CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1wc4 s VAL 1190N -1.76 2.89 -0.28 -1.45 1.01 -0.77 -4.93 120.40 115.11 1wc4 s VAL 1190Ca 0.68 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 1wc4 s VAL 1190Cb -0.40 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 33.85 1wc4 s VAL 1190CO 0.55 0.53 1.04 -0.32 0.00 0.00 0.00 175.10 176.90 1wc4 s MET 1191N -0.89 4.15 0.16 2.72 1.75 -1.26 -0.64 119.30 125.29 1wc4 s MET 1191Ca 0.12 1.17 0.07 0.00 -1.25 0.00 0.00 55.69 55.80 1wc4 s MET 1191Cb -0.11 -3.69 -0.04 0.00 2.84 0.00 0.00 34.83 33.83 1wc4 s MET 1191CO 0.02 -0.77 0.02 0.95 -0.65 0.00 0.00 175.02 174.59 1wc4 s THR 1192N 3.41 3.86 -0.04 10.11 -4.23 -0.94 -2.79 115.64 125.01 1wc4 s THR 1192Ca 0.44 -1.33 -0.00 0.00 -1.18 0.00 0.00 61.69 59.62 1wc4 s THR 1192Cb -0.14 -2.93 0.03 0.00 1.34 0.00 0.00 72.50 70.80 1wc4 s THR 1192CO 0.11 -0.08 0.00 0.00 -0.54 0.00 0.00 174.62 174.11 1wc4 s VAL 1194N 1.36 5.25 0.16 0.00 1.01 -0.35 0.51 120.40 128.34 1wc4 s VAL 1194Ca -0.05 0.71 0.04 0.00 0.00 0.00 0.00 61.98 62.68 1wc4 s VAL 1194Cb -0.13 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1wc4 s VAL 1194CO -0.02 0.33 0.21 0.27 0.00 0.00 0.00 175.10 175.89 1wc4 s ILE 1195N 0.73 4.87 0.21 2.22 -4.36 -0.60 -0.77 121.20 123.49 1wc4 s ILE 1195Ca 0.20 -0.93 -0.31 0.00 -0.26 0.00 0.00 60.65 59.36 1wc4 s ILE 1195Cb -0.14 -3.51 -0.10 0.00 1.25 0.00 0.00 42.46 39.97 1wc4 s ILE 1195CO 0.07 -0.12 1.45 0.21 0.24 0.00 0.00 174.94 176.78 1wc4 s ASN 1196N -3.23 6.69 0.00 4.36 3.84 0.28 -4.52 114.94 122.36 1wc4 s ASN 1196Ca 0.33 2.58 0.05 0.00 0.21 0.00 0.00 52.86 56.02 1wc4 s ASN 1196Cb -0.10 -2.61 0.29 0.00 -0.55 0.00 0.00 41.25 38.28 1wc4 s ASN 1196CO 0.26 -0.70 0.76 -0.81 -2.79 0.00 0.00 177.10 173.81 1wc4 n PRO 1197N 2.96 0.49 -4.09 0.43 -0.04 -1.26 -4.66 135.00 128.83 1wc4 n PRO 1197Ca 0.09 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.45 1wc4 n PRO 1197Cb 0.40 -1.15 -0.11 0.00 -0.04 0.00 0.00 33.50 32.60 1wc4 n PRO 1197CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1wc4 s ASN 1198N -1.66 0.73 0.16 3.54 0.01 -1.26 -4.84 114.94 111.62 1wc4 s ASN 1198Ca 0.07 -0.79 -0.28 0.00 -0.71 0.00 0.00 52.86 51.16 1wc4 s ASN 1198Cb 0.03 0.11 -0.07 0.00 0.41 0.00 0.00 41.25 41.72 1wc4 s ASN 1198CO 0.06 -0.40 0.86 -0.32 -1.51 0.00 0.00 177.10 175.79 1wc4 s MET 1199N -2.80 4.67 0.07 -0.60 1.75 -1.26 -4.88 119.30 116.26 1wc4 s MET 1199Ca -0.01 1.30 0.00 0.00 -1.25 0.00 0.00 55.69 55.73 1wc4 s MET 1199Cb -0.01 -3.31 0.00 0.00 2.84 0.00 0.00 34.83 34.35 1wc4 s MET 1199CO -0.04 0.44 0.00 1.28 -0.65 0.00 0.00 175.02 176.05 1wc4 n LEU 1200N 1.99 -2.34 0.00 4.11 4.77 -1.26 -5.16 117.00 119.10 1wc4 n LEU 1200Ca -0.03 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1wc4 n LEU 1200Cb 0.48 0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 1wc4 n LEU 1200CO 0.48 -0.06 0.00 -3.20 -1.33 0.00 0.00 177.39 173.29