#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wc3 n ARG 1005N 0.00 2.15 -1.60 0.03 0.00 -1.26 0.10 116.66 116.08 1wc3 n ARG 1005Ca 0.00 0.78 -0.51 0.00 -0.00 0.00 0.00 57.85 58.12 1wc3 n ARG 1005Cb 0.00 -2.59 -0.06 0.00 0.00 0.00 0.00 32.46 29.82 1wc3 n ARG 1005CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1wc3 n PRO 1006N 4.92 1.25 -3.72 -0.14 -0.04 -1.25 -4.73 135.00 131.29 1wc3 n PRO 1006Ca 0.20 0.45 -0.12 0.00 -0.04 0.00 0.00 63.50 63.98 1wc3 n PRO 1006Cb 0.29 -2.09 -0.07 0.00 -0.04 0.00 0.00 33.50 31.59 1wc3 n PRO 1006CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1wc3 s GLU 1007N 0.45 0.84 0.16 0.54 -1.05 0.50 -4.90 118.70 115.24 1wc3 s GLU 1007Ca 0.83 -0.42 -0.30 0.00 -0.15 0.00 0.00 54.97 54.93 1wc3 s GLU 1007Cb -0.92 0.37 -0.07 0.00 -0.44 0.00 0.00 34.13 33.07 1wc3 s GLU 1007CO 0.46 -0.27 1.17 -1.25 0.95 0.00 0.00 175.26 176.31 1wc3 s PRO 1008N -2.41 4.51 -0.04 -4.83 0.04 -1.26 -0.84 135.00 130.18 1wc3 s PRO 1008Ca -0.06 1.80 -0.28 0.00 0.04 0.00 0.00 61.00 62.51 1wc3 s PRO 1008Cb -0.01 -3.27 0.06 0.00 0.04 0.00 0.00 34.50 31.32 1wc3 s PRO 1008CO -0.02 -0.07 0.60 0.50 0.04 0.00 0.00 177.00 178.05 1wc3 s ARG 1009N -0.04 0.99 -0.34 4.56 3.52 -0.59 -4.95 118.95 122.11 1wc3 s ARG 1009Ca 0.53 0.15 -0.26 0.00 -0.13 0.00 0.00 55.73 56.02 1wc3 s ARG 1009Cb -0.31 0.46 0.01 0.00 -1.56 0.00 0.00 34.95 33.55 1wc3 s ARG 1009CO 0.35 -0.31 0.91 -1.17 -0.81 0.00 0.00 175.30 174.27 1wc3 s LEU 1010N -1.26 4.02 0.29 -0.88 2.96 -1.26 -1.59 118.68 120.96 1wc3 s LEU 1010Ca -0.11 0.71 0.02 0.00 -0.22 0.00 0.00 54.13 54.53 1wc3 s LEU 1010Cb -0.01 -3.25 -0.04 0.00 0.50 0.00 0.00 46.19 43.39 1wc3 s LEU 1010CO 0.08 -0.77 0.14 0.27 -1.32 0.00 0.00 176.35 174.75 1wc3 s ILE 1011N 3.32 0.39 -0.13 6.68 -4.36 -0.42 -4.89 121.20 121.79 1wc3 s ILE 1011Ca 0.37 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.79 1wc3 s ILE 1011Cb -0.13 -2.55 0.01 0.00 1.25 0.00 0.00 42.46 41.04 1wc3 s ILE 1011CO 0.16 0.00 -0.22 -0.89 0.24 0.00 0.00 174.94 174.22 1wc3 s THR 1012N -3.67 2.04 -0.15 8.37 2.01 -0.70 -0.85 115.64 122.69 1wc3 s THR 1012Ca 0.36 -0.98 -0.04 0.00 0.31 0.00 0.00 61.69 61.35 1wc3 s THR 1012Cb 0.06 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 1wc3 s THR 1012CO 0.16 0.55 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.98 1wc3 s ILE 1013N 0.71 3.98 -0.12 1.82 1.09 0.11 -1.44 121.20 127.36 1wc3 s ILE 1013Ca -0.10 -0.33 0.03 0.00 -1.10 0.00 0.00 60.65 59.15 1wc3 s ILE 1013Cb -0.16 -2.74 0.01 0.00 -1.06 0.00 0.00 42.46 38.51 1wc3 s ILE 1013CO 0.01 0.51 -0.23 -0.22 -0.10 0.00 0.00 174.94 174.90 1wc3 s LEU 1014N 0.19 2.10 -0.07 2.97 0.20 -0.16 -1.80 118.68 122.11 1wc3 s LEU 1014Ca -0.01 -0.58 0.04 0.00 0.69 0.00 0.00 54.13 54.27 1wc3 s LEU 1014Cb -0.14 -1.43 -0.00 0.00 -0.43 0.00 0.00 46.19 44.20 1wc3 s LEU 1014CO 0.03 0.12 -0.21 -0.36 -0.29 0.00 0.00 176.35 175.64 1wc3 s PHE 1015N 0.60 2.12 0.08 5.38 0.40 -0.46 -0.49 117.98 125.60 1wc3 s PHE 1015Ca -0.13 -0.72 0.03 0.00 -0.60 0.00 0.00 56.93 55.51 1wc3 s PHE 1015Cb -0.17 -1.43 -0.03 0.00 0.51 0.00 0.00 43.02 41.90 1wc3 s PHE 1015CO 0.03 -0.27 -0.09 -1.54 0.70 0.00 0.00 175.22 174.05 1wc3 s SER 1016N 0.15 1.22 0.06 1.36 1.04 -0.38 -0.49 113.70 116.66 1wc3 s SER 1016Ca -0.10 -0.76 -0.24 0.00 0.48 0.00 0.00 55.95 55.34 1wc3 s SER 1016Cb -0.15 0.03 0.06 0.00 0.10 0.00 0.00 66.02 66.06 1wc3 s SER 1016CO 0.05 -0.27 0.55 -0.62 0.98 0.00 0.00 173.24 173.93 1wc3 s ASP 1017N -2.24 -0.49 0.14 7.02 2.15 0.06 -0.70 116.67 122.61 1wc3 s ASP 1017Ca 0.01 0.20 0.11 0.00 0.43 0.00 0.00 52.55 53.30 1wc3 s ASP 1017Cb -0.04 0.52 -0.04 0.00 -0.30 0.00 0.00 42.92 43.06 1wc3 s ASP 1017CO -0.01 -0.76 -0.26 0.27 -0.17 0.00 0.00 175.17 174.25 1wc3 s ILE 1018N -2.56 2.20 -0.08 4.11 -4.36 -1.24 -1.22 121.20 118.04 1wc3 s ILE 1018Ca -0.05 -1.78 0.02 0.00 -0.26 0.00 0.00 60.65 58.59 1wc3 s ILE 1018Cb -0.01 -1.96 0.01 0.00 1.25 0.00 0.00 42.46 41.76 1wc3 s ILE 1018CO -0.03 0.03 -0.13 -0.69 0.24 0.00 0.00 174.94 174.37 1wc3 s VAL 1019N -1.18 1.26 0.00 8.37 1.01 -0.03 -4.71 120.40 125.12 1wc3 s VAL 1019Ca 0.14 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1wc3 s VAL 1019Cb -0.10 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.12 1wc3 s VAL 1019CO 0.06 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1wc3 n GLY 1020N 4.01 1.09 0.07 4.51 0.00 -1.26 -1.44 105.19 112.16 1wc3 n GLY 1020Ca -0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.02 -0.05 1.61 3.57 -1.95 -2.49 116.94 117.60 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 38.71 1wc3 h PHE 1021CO 0.00 0.58 -0.14 1.15 -2.23 0.00 0.00 178.31 177.67 1wc3 h THR 1022N -0.64 0.65 -0.53 4.41 2.02 -1.95 0.94 112.91 117.81 1wc3 h THR 1022Ca -0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 1wc3 h THR 1022Cb 0.61 0.65 -0.06 0.00 -1.74 0.00 0.00 68.15 67.61 1wc3 h THR 1022CO 0.00 0.00 0.20 -0.09 0.37 0.00 0.00 175.52 176.00 1wc3 h ARG 1023N -0.20 0.37 -0.15 6.66 2.43 -1.99 0.31 114.38 121.81 1wc3 h ARG 1023Ca 0.06 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1wc3 h ARG 1023Cb 0.29 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1wc3 h ARG 1023CO -0.17 0.25 0.07 1.98 -1.51 0.00 0.00 179.97 180.59 1wc3 h MET 1024N 0.39 0.21 0.00 0.20 4.05 -0.97 -2.83 114.93 115.98 1wc3 h MET 1024Ca 0.26 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.65 1wc3 h MET 1024Cb 0.28 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 1wc3 h MET 1024CO -0.25 0.26 0.00 0.66 0.23 0.00 0.00 176.91 177.81 1wc3 h SER 1025N 0.11 0.00 -0.18 1.39 4.64 -0.35 -3.27 113.55 115.88 1wc3 h SER 1025Ca 0.05 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.42 1wc3 h SER 1025Cb 0.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1wc3 h SER 1025CO -0.01 0.00 0.55 0.78 -0.87 0.00 0.00 176.83 177.28 1wc3 h ASN 1026N 0.00 0.00 0.43 4.97 2.35 -0.68 -1.63 115.58 121.02 1wc3 h ASN 1026Ca 0.00 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.44 1wc3 h ASN 1026Cb 0.38 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.72 1wc3 h ASN 1026CO 0.00 0.00 -1.74 0.00 -1.65 0.00 0.00 177.43 174.04 1wc3 h ALA 1027N 1.08 0.66 -2.43 -0.83 0.00 -1.77 -3.48 119.26 112.49 1wc3 h ALA 1027Ca 0.09 -1.41 -0.48 0.00 0.00 0.00 0.00 54.91 53.10 1wc3 h ALA 1027Cb 1.18 0.50 0.07 0.00 0.00 0.00 0.00 17.79 19.55 1wc3 h ALA 1027CO -0.00 1.49 0.34 -0.51 0.00 0.00 0.00 179.25 180.57 1wc3 s LEU 1028N -6.37 2.95 0.88 0.00 1.43 -0.61 -5.09 118.68 111.86 1wc3 s LEU 1028Ca -0.09 0.95 -0.09 0.00 -1.03 0.00 0.00 54.13 53.87 1wc3 s LEU 1028Cb 0.08 -3.72 0.19 0.00 0.03 0.00 0.00 46.19 42.77 1wc3 s LEU 1028CO 0.81 -1.33 1.20 -1.10 0.23 0.00 0.00 176.35 176.16 1wc3 s GLN 1029N -5.27 0.93 0.23 1.70 -1.52 -1.26 -4.76 119.66 109.71 1wc3 s GLN 1029Ca 0.57 -0.84 -0.10 0.00 -1.95 0.00 0.00 55.36 53.04 1wc3 s GLN 1029Cb -0.11 -2.06 0.33 0.00 -0.22 0.00 0.00 33.01 30.95 1wc3 s GLN 1029CO 0.49 -2.09 1.63 0.66 -0.25 0.00 0.00 175.29 175.73 1wc3 h SER 1030N -1.21 -0.44 -0.70 5.90 4.64 -1.98 -1.13 113.55 118.62 1wc3 h SER 1030Ca -0.40 0.19 0.04 0.00 -0.47 0.00 0.00 61.79 61.15 1wc3 h SER 1030Cb 1.24 0.36 -0.05 0.00 -0.31 0.00 0.00 62.40 63.63 1wc3 h SER 1030CO 0.35 -0.18 0.42 -0.61 -0.87 0.00 0.00 176.83 175.94 1wc3 h GLN 1031N 0.06 0.78 -0.20 4.77 5.75 -1.99 -0.79 115.11 123.49 1wc3 h GLN 1031Ca 0.35 -0.05 -0.12 0.00 -0.15 0.00 0.00 58.65 58.68 1wc3 h GLN 1031Cb 0.58 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 1wc3 h GLN 1031CO -0.64 0.51 -0.40 0.78 -2.65 0.00 0.00 178.83 176.43 1wc3 h GLY 1032N 0.80 0.49 0.86 2.39 0.00 -1.64 -1.20 103.07 104.77 1wc3 h GLY 1032Ca 0.30 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 1wc3 h GLY 1032CO -0.14 0.43 0.04 -2.08 0.00 0.00 0.00 176.54 174.79 1wc3 h VAL 1033N 0.37 1.23 -0.75 4.60 2.07 -0.69 -1.22 116.25 121.86 1wc3 h VAL 1033Ca 0.03 -0.76 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 1wc3 h VAL 1033Cb 0.86 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 1wc3 h VAL 1033CO 0.07 0.24 0.30 0.00 0.02 0.00 0.00 177.57 178.20 1wc3 h ALA 1034N 0.85 0.97 -0.58 1.67 0.00 -1.07 -1.59 119.26 119.51 1wc3 h ALA 1034Ca 0.07 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1wc3 h ALA 1034Cb 0.32 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1wc3 h ALA 1034CO 0.00 0.60 0.17 0.93 0.00 0.00 0.00 179.25 180.95 1wc3 h GLU 1035N 1.08 0.91 0.12 0.00 5.08 -1.07 0.66 114.58 121.35 1wc3 h GLU 1035Ca 0.25 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1wc3 h GLU 1035Cb 0.22 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1wc3 h GLU 1035CO -0.02 0.83 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.69 1wc3 h LEU 1036N 0.82 -0.13 -0.42 1.33 3.38 -0.97 -1.21 115.31 118.11 1wc3 h LEU 1036Ca 0.18 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1wc3 h LEU 1036Cb 0.31 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1wc3 h LEU 1036CO -0.00 0.06 0.21 0.25 0.09 0.00 0.00 178.44 179.05 1wc3 h LEU 1037N -0.32 0.53 -1.16 1.67 5.85 -1.21 -1.80 115.31 118.87 1wc3 h LEU 1037Ca -0.02 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1wc3 h LEU 1037Cb 0.26 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1wc3 h LEU 1037CO 0.03 0.49 0.36 0.78 -0.34 0.00 0.00 178.44 179.75 1wc3 h ASN 1038N 0.54 0.84 -0.03 1.25 2.35 -0.85 0.19 115.58 119.87 1wc3 h ASN 1038Ca 0.14 -0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.84 1wc3 h ASN 1038Cb 0.09 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1wc3 h ASN 1038CO -0.02 0.69 -0.05 -0.08 -1.65 0.00 0.00 177.43 176.32 1wc3 h GLU 1039N 0.94 -0.07 -0.14 0.81 4.81 -0.80 -0.29 114.58 119.84 1wc3 h GLU 1039Ca 0.24 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 1wc3 h GLU 1039Cb 0.04 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1wc3 h GLU 1039CO -0.04 -0.05 0.04 -0.92 -0.73 0.00 0.00 179.01 177.32 1wc3 h TYR 1040N -0.07 0.23 -0.46 0.92 3.20 -0.67 -2.66 116.97 117.45 1wc3 h TYR 1040Ca 0.03 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 1wc3 h TYR 1040Cb 0.12 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 1wc3 h TYR 1040CO -0.14 0.35 0.11 -0.07 -1.64 0.00 0.00 178.16 176.77 1wc3 h LEU 1041N 0.04 0.64 -0.58 2.82 3.38 -0.54 -1.71 115.31 119.36 1wc3 h LEU 1041Ca 0.05 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1wc3 h LEU 1041Cb 0.23 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1wc3 h LEU 1041CO -0.00 0.63 0.22 1.23 0.09 0.00 0.00 178.44 180.61 1wc3 h GLY 1042N 0.88 0.95 0.94 0.83 0.00 -0.97 -0.60 103.07 105.10 1wc3 h GLY 1042Ca 0.15 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 1wc3 h GLY 1042CO -0.00 0.50 0.14 0.83 0.00 0.00 0.00 176.54 178.01 1wc3 h GLU 1043N 0.81 0.61 -0.38 4.80 4.39 -1.07 -1.59 114.58 122.15 1wc3 h GLU 1043Ca 0.19 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1wc3 h GLU 1043Cb 0.23 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 1wc3 h GLU 1043CO -0.01 0.59 0.19 0.52 -1.16 0.00 0.00 179.01 179.14 1wc3 h MET 1044N 0.50 0.54 -0.81 2.33 2.86 -1.16 -1.44 114.93 117.75 1wc3 h MET 1044Ca 0.13 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1wc3 h MET 1044Cb 0.22 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 1wc3 h MET 1044CO -0.01 0.47 0.53 1.15 1.06 0.00 0.00 176.91 180.11 1wc3 h THR 1045N 0.48 1.17 -0.49 2.22 2.02 -0.98 -1.50 112.91 115.82 1wc3 h THR 1045Ca 0.13 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 1wc3 h THR 1045Cb 0.10 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.51 1wc3 h THR 1045CO -0.02 0.19 0.28 -0.09 0.37 0.00 0.00 175.52 176.26 1wc3 h ARG 1046N 1.06 0.68 -0.85 6.66 2.43 -1.01 0.26 114.38 123.61 1wc3 h ARG 1046Ca 0.31 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 1wc3 h ARG 1046Cb -0.06 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.31 1wc3 h ARG 1046CO -0.09 0.52 0.50 0.00 -1.51 0.00 0.00 179.97 179.39 1wc3 h ALA 1047N 1.12 1.28 -0.04 2.80 0.00 -0.70 0.20 119.26 123.93 1wc3 h ALA 1047Ca 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1wc3 h ALA 1047Cb 0.03 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1wc3 h ALA 1047CO -0.03 0.61 -0.06 0.28 0.00 0.00 0.00 179.25 180.05 1wc3 h VAL 1048N 1.18 1.41 -0.60 0.00 2.07 -0.80 -3.18 116.25 116.32 1wc3 h VAL 1048Ca 0.30 -1.32 -0.06 0.00 0.82 0.00 0.00 66.70 66.44 1wc3 h VAL 1048Cb -0.03 2.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 1wc3 h VAL 1048CO -0.05 0.36 0.13 -0.26 0.02 0.00 0.00 177.57 177.76 1wc3 h PHE 1049N -0.39 1.03 -0.01 1.57 0.05 -0.82 0.11 116.94 118.48 1wc3 h PHE 1049Ca 0.00 -0.13 0.00 0.00 3.82 0.00 0.00 57.97 61.67 1wc3 h PHE 1049Cb 0.61 -0.29 -0.00 0.00 2.00 0.00 0.00 35.95 38.27 1wc3 h PHE 1049CO 0.11 0.87 0.01 0.93 -0.18 0.00 0.00 178.31 180.06 1wc3 h GLU 1050N 0.88 0.00 -0.61 1.51 5.08 -1.04 -0.35 114.58 120.05 1wc3 h GLU 1050Ca 0.19 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.25 1wc3 h GLU 1050Cb 0.38 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.45 1wc3 h GLU 1050CO 0.01 0.00 0.21 0.09 -1.00 0.00 0.00 179.01 178.32 1wc3 n ASN 1051N -3.73 3.12 -2.61 1.42 3.02 -0.94 -4.94 115.26 110.60 1wc3 n ASN 1051Ca -0.03 -3.66 -0.14 0.00 -0.03 0.00 0.00 54.58 50.72 1wc3 n ASN 1051Cb 0.10 -0.71 -0.00 0.00 -0.61 0.00 0.00 39.78 38.55 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 -1.06 -2.53 -2.57 3.52 3.00 -0.14 -4.83 117.38 112.78 1wc3 n GLN 1052Ca 0.43 0.58 -0.23 0.00 -0.01 0.00 0.00 57.00 57.77 1wc3 n GLN 1052Cb 1.29 -5.21 0.04 0.00 0.00 0.00 0.00 30.24 26.36 1wc3 n GLN 1052CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1wc3 s GLY 1053N -2.16 1.74 -0.16 1.08 0.00 0.34 -4.91 107.32 103.24 1wc3 s GLY 1053Ca 0.07 -1.15 -0.06 0.00 0.00 0.00 0.00 44.72 43.59 1wc3 s GLY 1053CO 0.09 -0.86 0.02 -1.59 0.00 0.00 0.00 173.10 170.76 1wc3 s THR 1054N -2.86 4.40 -0.43 0.90 2.01 0.33 -4.42 115.64 115.56 1wc3 s THR 1054Ca 0.56 -0.18 -0.23 0.00 0.31 0.00 0.00 61.69 62.15 1wc3 s THR 1054Cb -0.10 -2.95 0.02 0.00 0.01 0.00 0.00 72.50 69.48 1wc3 s THR 1054CO 0.40 0.49 0.81 -0.69 -0.69 0.00 0.00 174.62 174.94 1wc3 s VAL 1055N 0.26 4.64 -0.02 3.82 1.01 -1.26 -0.37 120.40 128.47 1wc3 s VAL 1055Ca 0.01 0.58 -0.18 0.00 0.00 0.00 0.00 61.98 62.38 1wc3 s VAL 1055Cb -0.13 -4.32 -0.10 0.00 0.00 0.00 0.00 36.38 31.83 1wc3 s VAL 1055CO 0.01 -0.68 0.76 -0.78 0.00 0.00 0.00 175.10 174.42 1wc3 h ASP 1056N 8.89 -0.54 -5.39 3.32 1.82 -0.96 -3.48 116.42 120.07 1wc3 h ASP 1056Ca -0.25 0.01 0.19 0.00 -0.39 0.00 0.00 57.03 56.59 1wc3 h ASP 1056Cb 1.09 0.14 -0.07 0.00 0.68 0.00 0.00 39.33 41.16 1wc3 h ASP 1056CO 0.96 -0.12 0.54 -1.59 -1.61 0.00 0.00 179.24 177.41 1wc3 s LYS 1057N -3.68 1.16 0.07 0.28 -2.85 -1.14 -4.95 119.74 108.64 1wc3 s LYS 1057Ca -0.10 -0.67 0.05 0.00 -1.00 0.00 0.00 55.97 54.26 1wc3 s LYS 1057Cb 0.01 0.38 -0.04 0.00 -2.06 0.00 0.00 37.83 36.12 1wc3 s LYS 1057CO 0.29 -0.53 -0.07 -0.06 0.10 0.00 0.00 175.35 175.08 1wc3 s PHE 1058N -2.97 2.84 -0.45 1.78 2.99 -1.26 -1.37 117.98 119.53 1wc3 s PHE 1058Ca 0.14 -0.09 0.03 0.00 0.00 0.00 0.00 56.93 57.01 1wc3 s PHE 1058Cb -0.01 -1.51 0.15 0.00 0.00 0.00 0.00 43.02 41.66 1wc3 s PHE 1058CO 0.02 0.42 0.31 0.08 -0.00 0.00 0.00 175.22 176.06 1wc3 s VAL 1059N -1.18 0.99 0.00 -0.44 1.01 0.24 -4.96 120.40 116.06 1wc3 s VAL 1059Ca 0.21 -2.70 0.00 0.00 0.00 0.00 0.00 61.98 59.49 1wc3 s VAL 1059Cb -0.11 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.59 1wc3 s VAL 1059CO 0.13 -1.06 0.00 0.61 0.00 0.00 0.00 175.10 174.78 1wc3 n GLY 1060N 3.12 2.91 1.58 4.51 0.00 -1.26 -1.40 105.19 114.65 1wc3 n GLY 1060Ca 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 9.36 4.17 -4.77 1.61 3.85 -1.26 -4.94 116.55 124.57 1wc3 n ASP 1061Ca 0.00 -3.28 -0.29 0.00 -0.71 0.00 0.00 54.79 50.51 1wc3 n ASP 1061Cb 0.00 -0.68 -0.06 0.00 -1.35 0.00 0.00 41.12 39.03 1wc3 n ASP 1061CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1wc3 s ALA 1062N -3.01 3.52 0.01 2.12 0.00 -0.49 -3.72 121.76 120.18 1wc3 s ALA 1062Ca 0.50 -1.10 0.06 0.00 0.00 0.00 0.00 51.96 51.42 1wc3 s ALA 1062Cb 0.41 -1.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.15 1wc3 s ALA 1062CO 0.10 0.66 -0.17 0.42 0.00 0.00 0.00 175.76 176.77 1wc3 s ILE 1063N -1.50 1.37 -0.11 0.00 1.09 0.13 -0.59 121.20 121.58 1wc3 s ILE 1063Ca 0.29 -0.88 0.02 0.00 -1.10 0.00 0.00 60.65 58.98 1wc3 s ILE 1063Cb -0.11 -1.17 0.01 0.00 -1.06 0.00 0.00 42.46 40.13 1wc3 s ILE 1063CO 0.22 0.27 -0.17 -0.32 -0.10 0.00 0.00 174.94 174.85 1wc3 s MET 1064N -0.70 2.37 0.10 2.79 1.75 -0.47 -1.24 119.30 123.89 1wc3 s MET 1064Ca 0.06 -0.62 0.06 0.00 -1.25 0.00 0.00 55.69 53.94 1wc3 s MET 1064Cb -0.07 -1.99 -0.03 0.00 2.84 0.00 0.00 34.83 35.58 1wc3 s MET 1064CO 0.00 -0.05 -0.15 0.00 -0.65 0.00 0.00 175.02 174.17 1wc3 s ALA 1065N 0.95 1.46 0.05 4.11 0.00 0.35 -0.26 121.76 128.42 1wc3 s ALA 1065Ca -0.07 -1.19 0.07 0.00 0.00 0.00 0.00 51.96 50.77 1wc3 s ALA 1065Cb -0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1wc3 s ALA 1065CO -0.01 0.17 -0.19 -0.51 0.00 0.00 0.00 175.76 175.21 1wc3 s LEU 1066N -2.12 2.18 -0.12 0.00 1.43 0.50 -0.99 118.68 119.56 1wc3 s LEU 1066Ca 0.05 -0.52 -0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1wc3 s LEU 1066Cb -0.08 -0.89 0.03 0.00 0.03 0.00 0.00 46.19 45.28 1wc3 s LEU 1066CO 0.03 0.13 -0.08 -0.31 0.23 0.00 0.00 176.35 176.35 1wc3 s TYR 1067N -0.84 1.51 0.00 0.29 1.51 -0.52 -0.52 117.35 118.78 1wc3 s TYR 1067Ca 0.06 -0.77 0.00 0.00 -1.01 0.00 0.00 57.07 55.35 1wc3 s TYR 1067Cb -0.09 -1.25 0.00 0.00 -0.11 0.00 0.00 41.96 40.52 1wc3 s TYR 1067CO 0.02 -0.52 0.00 0.41 -1.11 0.00 0.00 175.55 174.34 1wc3 n GLY 1068N 4.94 1.17 3.64 0.71 0.00 -1.26 -1.72 105.19 112.67 1wc3 n GLY 1068Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.92 0.30 4.61 0.00 -1.26 -4.46 121.76 117.03 1wc3 s ALA 1069Ca 0.00 1.99 0.12 0.00 0.00 0.00 0.00 51.96 54.08 1wc3 s ALA 1069Cb 0.00 -1.37 0.54 0.00 0.00 0.00 0.00 23.12 22.29 1wc3 s ALA 1069CO 0.00 -0.29 1.71 -1.00 0.00 0.00 0.00 175.76 176.18 1wc3 h PRO 1070N 4.80 0.00 -6.81 0.00 0.13 -1.98 -3.43 132.00 124.71 1wc3 h PRO 1070Ca -0.29 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.33 1wc3 h PRO 1070Cb 1.18 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.34 1wc3 h PRO 1070CO 0.10 0.50 0.55 -1.21 -0.23 0.00 0.00 178.00 177.70 1wc3 s GLU 1071N -3.83 4.51 0.50 0.86 2.02 -1.26 -4.99 118.70 116.52 1wc3 s GLU 1071Ca -0.02 1.97 -0.22 0.00 0.02 0.00 0.00 54.97 56.73 1wc3 s GLU 1071Cb 0.13 -3.15 -0.06 0.00 0.10 0.00 0.00 34.13 31.15 1wc3 s GLU 1071CO 0.74 0.02 1.19 -2.00 0.02 0.00 0.00 175.26 175.23 1wc3 s GLU 1072N -1.40 3.50 -0.25 1.61 2.56 -1.26 -4.03 118.70 119.43 1wc3 s GLU 1072Ca 0.47 1.82 -0.17 0.00 0.00 0.00 0.00 54.97 57.09 1wc3 s GLU 1072Cb -0.35 -2.25 0.07 0.00 2.00 0.00 0.00 34.13 33.60 1wc3 s GLU 1072CO 0.45 -0.78 0.63 1.41 -0.56 0.00 0.00 175.26 176.41 1wc3 s MET 1073N -2.91 0.67 0.67 4.30 1.75 -1.26 -4.89 119.30 117.63 1wc3 s MET 1073Ca 0.68 1.03 -0.17 0.00 -1.25 0.00 0.00 55.69 55.98 1wc3 s MET 1073Cb -0.30 0.20 0.01 0.00 2.84 0.00 0.00 34.83 37.58 1wc3 s MET 1073CO 0.35 -0.13 1.25 -1.54 -0.65 0.00 0.00 175.02 174.30 1wc3 s SER 1074N 1.11 4.50 0.34 1.11 1.04 -1.26 -4.77 113.70 115.76 1wc3 s SER 1074Ca -0.06 2.50 0.05 0.00 0.48 0.00 0.00 55.95 58.92 1wc3 s SER 1074Cb -0.05 -2.61 0.70 0.00 0.10 0.00 0.00 66.02 64.16 1wc3 s SER 1074CO -0.11 -2.07 1.91 -0.65 0.98 0.00 0.00 173.24 173.30 1wc3 h PRO 1075N 0.25 0.79 -0.31 4.02 0.11 -1.99 -0.79 132.00 134.08 1wc3 h PRO 1075Ca -0.50 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.47 1wc3 h PRO 1075Cb 1.32 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1wc3 h PRO 1075CO 0.52 0.52 -0.18 0.66 -0.21 0.00 0.00 178.00 179.32 1wc3 h SER 1076N 0.82 0.69 -0.05 -2.05 4.64 -2.00 -2.80 113.55 112.79 1wc3 h SER 1076Ca 0.39 -0.42 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 1wc3 h SER 1076Cb 0.42 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1wc3 h SER 1076CO -0.16 0.96 -0.17 -0.33 -0.87 0.00 0.00 176.83 176.26 1wc3 h GLU 1077N 0.42 0.41 -0.43 4.77 4.39 -1.80 -1.32 114.58 121.01 1wc3 h GLU 1077Ca 0.06 -0.12 0.01 0.00 0.34 0.00 0.00 59.36 59.65 1wc3 h GLU 1077Cb 0.71 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.30 1wc3 h GLU 1077CO 0.05 0.58 0.27 1.96 -1.16 0.00 0.00 179.01 180.71 1wc3 h GLN 1078N 0.37 0.53 -0.22 2.33 4.20 -1.05 -0.59 115.11 120.68 1wc3 h GLN 1078Ca 0.07 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.65 1wc3 h GLN 1078Cb 0.53 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 1wc3 h GLN 1078CO 0.03 0.35 -0.22 0.28 -0.67 0.00 0.00 178.83 178.61 1wc3 h VAL 1079N 0.55 1.32 -0.38 -0.54 2.07 -1.22 0.17 116.25 118.22 1wc3 h VAL 1079Ca 0.17 -1.38 0.03 0.00 0.82 0.00 0.00 66.70 66.34 1wc3 h VAL 1079Cb -0.02 1.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1wc3 h VAL 1079CO -0.06 0.43 0.17 -0.09 0.02 0.00 0.00 177.57 178.03 1wc3 h ARG 1080N 0.24 0.34 -0.35 1.57 2.43 -1.11 0.33 114.38 117.83 1wc3 h ARG 1080Ca 0.04 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.04 1wc3 h ARG 1080Cb 0.77 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 1wc3 h ARG 1080CO 0.05 0.22 -0.37 0.00 -1.51 0.00 0.00 179.97 178.37 1wc3 h ARG 1081N 0.35 0.82 -0.52 0.20 3.08 -1.08 -1.02 114.38 116.21 1wc3 h ARG 1081Ca 0.17 -0.41 -0.06 0.00 0.07 0.00 0.00 59.98 59.75 1wc3 h ARG 1081Cb 0.10 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1wc3 h ARG 1081CO -0.14 1.05 0.10 0.00 -1.07 0.00 0.00 179.97 179.91 1wc3 h ALA 1082N 0.90 0.68 -0.43 0.04 0.00 -0.64 -1.09 119.26 118.72 1wc3 h ALA 1082Ca 0.06 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1wc3 h ALA 1082Cb 0.93 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1wc3 h ALA 1082CO 0.09 0.40 -0.04 0.82 0.00 0.00 0.00 179.25 180.52 1wc3 h ILE 1083N 0.73 1.27 -0.46 0.00 1.08 -0.85 -2.00 117.51 117.27 1wc3 h ILE 1083Ca 0.16 -1.10 -0.04 0.00 -0.39 0.00 0.00 64.86 63.49 1wc3 h ILE 1083Cb 0.37 1.12 -0.02 0.00 -3.07 0.00 0.00 36.82 35.22 1wc3 h ILE 1083CO 0.01 0.37 0.13 0.00 -0.69 0.00 0.00 178.15 177.97 1wc3 h ALA 1084N 0.88 1.36 -0.14 1.87 0.00 -1.03 -1.49 119.26 120.72 1wc3 h ALA 1084Ca 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1wc3 h ALA 1084Cb 0.54 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1wc3 h ALA 1084CO 0.03 0.46 0.03 1.15 0.00 0.00 0.00 179.25 180.92 1wc3 h THR 1085N 0.67 1.20 -0.84 0.00 2.02 -0.92 -0.66 112.91 114.39 1wc3 h THR 1085Ca 0.16 -0.64 0.02 0.00 0.77 0.00 0.00 66.41 66.71 1wc3 h THR 1085Cb 0.23 1.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 1wc3 h THR 1085CO -0.01 0.19 0.55 0.00 0.37 0.00 0.00 175.52 176.63 1wc3 h ALA 1086N 0.82 1.09 -0.25 6.16 0.00 -1.04 0.13 119.26 126.17 1wc3 h ALA 1086Ca 0.04 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1wc3 h ALA 1086Cb 0.27 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1wc3 h ALA 1086CO 0.00 0.44 -0.47 0.00 0.00 0.00 0.00 179.25 179.22 1wc3 h ARG 1087N 1.11 0.67 -0.13 0.00 3.08 -1.17 -2.20 114.38 115.75 1wc3 h ARG 1087Ca 0.32 -0.38 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 1wc3 h ARG 1087Cb -0.08 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1wc3 h ARG 1087CO -0.08 1.00 -0.41 0.37 -1.07 0.00 0.00 179.97 179.77 1wc3 h GLN 1088N 0.54 0.29 -0.57 0.04 4.15 -0.70 -2.26 115.11 116.59 1wc3 h GLN 1088Ca 0.03 -0.14 -0.07 0.00 0.77 0.00 0.00 58.65 59.24 1wc3 h GLN 1088Cb 1.02 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.69 1wc3 h GLN 1088CO 0.10 0.66 0.09 0.52 -1.93 0.00 0.00 178.83 178.26 1wc3 h MET 1089N 0.24 0.95 -0.74 1.69 2.86 -0.51 -1.03 114.93 118.39 1wc3 h MET 1089Ca 0.02 -0.26 -0.05 0.00 -2.06 0.00 0.00 59.70 57.36 1wc3 h MET 1089Cb 0.83 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.35 1wc3 h MET 1089CO 0.07 0.91 0.29 -0.07 1.06 0.00 0.00 176.91 179.16 1wc3 h LEU 1090N 0.84 1.03 -0.64 1.22 3.38 -1.16 -0.92 115.31 119.07 1wc3 h LEU 1090Ca 0.17 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1wc3 h LEU 1090Cb 0.43 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1wc3 h LEU 1090CO 0.01 0.93 0.20 0.58 0.09 0.00 0.00 178.44 180.25 1wc3 h VAL 1091N 1.07 1.25 -0.53 1.22 2.07 -1.17 -1.22 116.25 118.94 1wc3 h VAL 1091Ca 0.25 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.93 1wc3 h VAL 1091Cb 0.23 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1wc3 h VAL 1091CO -0.02 0.32 0.35 0.00 0.02 0.00 0.00 177.57 178.25 1wc3 h ALA 1092N 1.08 0.67 -0.21 1.67 0.00 -0.78 -1.31 119.26 120.38 1wc3 h ALA 1092Ca 0.21 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1wc3 h ALA 1092Cb 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1wc3 h ALA 1092CO -0.01 0.11 -0.11 -0.07 0.00 0.00 0.00 179.25 179.17 1wc3 h LEU 1093N 0.72 0.31 -0.50 0.00 -0.00 -0.84 0.13 115.31 115.14 1wc3 h LEU 1093Ca 0.20 -0.07 -0.06 0.00 -0.00 0.00 0.00 57.88 57.95 1wc3 h LEU 1093Cb -0.08 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 40.48 1wc3 h LEU 1093CO -0.05 0.46 0.07 -0.33 -0.00 0.00 0.00 178.44 178.60 1wc3 h GLU 1094N 0.31 0.82 0.07 1.13 4.39 -0.52 0.15 114.58 120.94 1wc3 h GLU 1094Ca 0.06 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 1wc3 h GLU 1094Cb 0.39 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1wc3 h GLU 1094CO 0.02 0.83 -0.03 -0.22 -1.16 0.00 0.00 179.01 178.44 1wc3 h LYS 1095N 0.70 -0.09 -0.15 2.33 3.64 -0.63 -1.93 116.57 120.44 1wc3 h LYS 1095Ca 0.15 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1wc3 h LYS 1095Cb 0.40 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 1wc3 h LYS 1095CO 0.01 0.21 -0.05 -0.07 -2.27 0.00 0.00 179.45 177.28 1wc3 h LEU 1096N -0.40 -0.18 -1.29 5.20 3.38 -0.66 -1.59 115.31 119.78 1wc3 h LEU 1096Ca -0.01 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.09 1wc3 h LEU 1096Cb 0.35 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 1wc3 h LEU 1096CO 0.02 -0.07 0.53 0.78 0.09 0.00 0.00 178.44 179.79 1wc3 h ASN 1097N -0.03 0.73 -0.56 -0.43 2.35 -0.69 0.19 115.58 117.15 1wc3 h ASN 1097Ca 0.08 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 1wc3 h ASN 1097Cb 0.14 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1wc3 h ASN 1097CO -0.17 0.45 0.19 -0.61 -1.65 0.00 0.00 177.43 175.64 1wc3 h GLN 1098N 0.82 0.86 -0.49 0.81 5.75 -0.62 -0.21 115.11 122.03 1wc3 h GLN 1098Ca 0.36 -0.18 -0.10 0.00 -0.15 0.00 0.00 58.65 58.59 1wc3 h GLN 1098Cb 0.34 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 1wc3 h GLN 1098CO -0.14 0.77 -0.07 0.78 -2.65 0.00 0.00 178.83 177.52 1wc3 h GLY 1099N 0.78 1.00 2.00 2.39 0.00 -0.23 -2.27 103.07 106.74 1wc3 h GLY 1099Ca 0.18 -0.79 -0.07 0.00 0.00 0.00 0.00 47.33 46.65 1wc3 h GLY 1099CO -0.01 0.72 -0.34 1.49 0.00 0.00 0.00 176.54 178.40 1wc3 h TRP 1100N 0.78 0.00 -0.10 5.60 6.55 -0.43 -1.78 115.95 126.56 1wc3 h TRP 1100Ca 0.13 0.00 -0.15 0.00 0.95 0.00 0.00 58.89 59.82 1wc3 h TRP 1100Cb 0.62 0.00 0.01 0.00 -0.86 0.00 0.00 29.16 28.92 1wc3 h TRP 1100CO 0.05 0.34 -0.53 0.37 -1.05 0.00 0.00 178.44 177.62 1wc3 h GLN 1101N 0.00 0.53 0.00 0.49 4.15 -0.90 -0.16 115.11 119.23 1wc3 h GLN 1101Ca -0.00 -0.44 0.00 0.00 0.77 0.00 0.00 58.65 58.97 1wc3 h GLN 1101Cb 0.66 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.45 1wc3 h GLN 1101CO 0.04 1.07 0.00 0.39 -1.93 0.00 0.00 178.83 178.40 1wc3 n GLU 1102N -4.21 0.02 0.01 1.69 1.02 -0.87 -1.66 120.64 116.64 1wc3 n GLU 1102Ca -0.08 0.28 0.11 0.00 -0.02 0.00 0.00 57.16 57.44 1wc3 n GLU 1102Cb 0.62 -1.54 -0.02 0.00 -0.02 0.00 0.00 31.44 30.48 1wc3 n GLU 1102CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1wc3 n ARG 1103N -1.57 0.15 -0.59 3.49 0.63 -0.69 -4.97 116.66 113.11 1wc3 n ARG 1103Ca 0.03 -0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1wc3 n ARG 1103Cb 0.17 -1.53 0.00 0.00 0.45 0.00 0.00 32.46 31.55 1wc3 n ARG 1103CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wc3 n GLY 1104N 1.44 0.75 0.12 5.14 0.00 -0.66 -4.92 105.19 107.05 1wc3 n GLY 1104Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.06 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 -8.36 0.99 3.38 -1.26 -3.42 115.31 106.64 1wc3 h LEU 1105Ca 0.00 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.52 1wc3 h LEU 1105Cb 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 40.51 1wc3 h LEU 1105CO 0.00 0.57 -0.80 -0.69 0.09 0.00 0.00 178.44 177.62 1wc3 s VAL 1106N -2.93 1.17 0.00 1.22 1.01 -1.04 -4.82 120.40 115.02 1wc3 s VAL 1106Ca 0.02 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.94 1wc3 s VAL 1106Cb 0.08 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1wc3 s VAL 1106CO 0.77 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.48 1wc3 n GLY 1107N 1.81 2.78 2.04 4.51 0.00 -1.26 -4.39 105.19 110.68 1wc3 n GLY 1107Ca -0.18 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 44.93 1wc3 n GLY 1107CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1wc3 n ARG 1108N 0.00 2.10 -1.62 1.61 0.63 -1.26 -4.93 116.66 113.18 1wc3 n ARG 1108Ca 0.00 -2.51 -0.01 0.00 -0.92 0.00 0.00 57.85 54.41 1wc3 n ARG 1108Cb 0.00 -1.98 -0.01 0.00 0.45 0.00 0.00 32.46 30.92 1wc3 n ARG 1108CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1wc3 n VAL 1111N -0.78 -4.58 -1.60 5.15 0.31 -1.26 -4.90 118.33 110.67 1wc3 n VAL 1111Ca 0.50 0.48 -0.31 0.00 -0.01 0.00 0.00 64.34 65.00 1wc3 n VAL 1111Cb 1.30 -3.95 0.05 0.00 -0.91 0.00 0.00 33.84 30.32 1wc3 n VAL 1111CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1wc3 s PRO 1112N -1.05 2.96 0.54 5.55 0.04 -1.26 -4.44 135.00 137.34 1wc3 s PRO 1112Ca -0.04 0.98 -0.21 0.00 0.04 0.00 0.00 61.00 61.76 1wc3 s PRO 1112Cb 0.00 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.49 1wc3 s PRO 1112CO 0.12 -1.08 1.13 -2.30 0.04 0.00 0.00 177.00 174.91 1wc3 n PRO 1113N -3.05 1.32 -1.86 0.56 -0.02 -1.26 -4.77 135.00 125.91 1wc3 n PRO 1113Ca 0.08 0.49 -0.41 0.00 -2.02 0.00 0.00 63.50 61.64 1wc3 n PRO 1113Cb 0.53 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1wc3 n PRO 1113CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1wc3 s VAL 1114N -1.37 2.19 0.10 -1.45 1.01 -1.26 -4.94 120.40 114.67 1wc3 s VAL 1114Ca 0.71 0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.93 1wc3 s VAL 1114Cb -0.45 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1wc3 s VAL 1114CO 0.50 0.04 -0.00 -0.13 0.00 0.00 0.00 175.10 175.51 1wc3 s ARG 1115N -2.16 2.53 -0.02 2.72 0.52 -0.52 -4.94 118.95 117.07 1wc3 s ARG 1115Ca 0.55 -0.86 0.08 0.00 -0.52 0.00 0.00 55.73 54.97 1wc3 s ARG 1115Cb -0.44 -2.52 -0.02 0.00 0.52 0.00 0.00 34.95 32.49 1wc3 s ARG 1115CO 0.59 0.53 -0.25 0.12 0.02 0.00 0.00 175.30 176.31 1wc3 s PHE 1116N -1.34 2.23 -0.01 -0.53 5.36 -1.26 -0.85 117.98 121.58 1wc3 s PHE 1116Ca 0.26 -0.42 0.01 0.00 -0.96 0.00 0.00 56.93 55.82 1wc3 s PHE 1116Cb -0.11 -1.44 -0.00 0.00 -0.34 0.00 0.00 43.02 41.13 1wc3 s PHE 1116CO 0.18 -0.04 -0.03 1.03 -1.46 0.00 0.00 175.22 174.90 1wc3 s ARG 1117N -0.58 0.31 -0.04 10.12 0.52 -0.36 0.64 118.95 129.56 1wc3 s ARG 1117Ca 0.10 -0.12 -0.03 0.00 -0.52 0.00 0.00 55.73 55.16 1wc3 s ARG 1117Cb -0.10 -0.31 0.02 0.00 0.52 0.00 0.00 34.95 35.08 1wc3 s ARG 1117CO -0.01 0.06 0.10 0.00 0.02 0.00 0.00 175.30 175.47 1wc3 s GLY 1119N 0.40 0.98 -0.03 0.00 0.00 0.36 -0.78 107.32 108.24 1wc3 s GLY 1119Ca -0.03 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 43.81 1wc3 s GLY 1119CO -0.02 -0.76 0.00 -0.42 0.00 0.00 0.00 173.10 171.90 1wc3 s ILE 1120N -0.55 0.18 0.03 0.90 1.01 -0.32 -1.36 121.20 121.09 1wc3 s ILE 1120Ca 0.07 0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.83 1wc3 s ILE 1120Cb -0.08 -0.28 -0.02 0.00 0.01 0.00 0.00 42.46 42.09 1wc3 s ILE 1120CO -0.00 0.15 -0.05 -2.28 0.00 0.00 0.00 174.94 172.76 1wc3 s HIS 1121N 1.08 0.45 -0.05 3.97 2.46 -0.75 -2.45 115.29 119.99 1wc3 s HIS 1121Ca -0.09 -0.42 0.05 0.00 0.47 0.00 0.00 55.06 55.07 1wc3 s HIS 1121Cb -0.13 -0.28 -0.01 0.00 -0.13 0.00 0.00 32.58 32.03 1wc3 s HIS 1121CO -0.02 -0.11 -0.21 -1.14 -2.47 0.00 0.00 174.74 170.79 1wc3 s GLN 1122N -1.24 2.25 0.00 2.88 0.74 -1.26 0.09 119.66 123.11 1wc3 s GLN 1122Ca -0.10 -0.77 0.00 0.00 0.05 0.00 0.00 55.36 54.54 1wc3 s GLN 1122Cb -0.08 -1.90 0.00 0.00 1.10 0.00 0.00 33.01 32.13 1wc3 s GLN 1122CO -0.00 0.30 0.00 0.41 -0.55 0.00 0.00 175.29 175.45 1wc3 n GLY 1123N 3.09 -1.26 3.77 2.59 0.00 -0.03 -4.84 105.19 108.50 1wc3 n GLY 1123Ca -0.18 -1.00 -0.38 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.62 4.29 -0.04 1.61 -1.94 -1.26 -1.30 119.30 119.04 1wc3 s MET 1124Ca 0.00 1.66 -0.23 0.00 -1.71 0.00 0.00 55.69 55.41 1wc3 s MET 1124Cb 0.00 -2.77 0.05 0.00 2.01 0.00 0.00 34.83 34.12 1wc3 s MET 1124CO 0.00 -0.06 0.51 0.00 -0.01 0.00 0.00 175.02 175.46 1wc3 s ALA 1125N -1.45 -1.31 -0.29 3.03 0.00 -0.62 -4.30 121.76 116.81 1wc3 s ALA 1125Ca 0.53 0.89 -0.24 0.00 0.00 0.00 0.00 51.96 53.14 1wc3 s ALA 1125Cb -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.85 1wc3 s ALA 1125CO 0.34 -0.32 0.83 0.08 0.00 0.00 0.00 175.76 176.70 1wc3 s VAL 1126N -1.19 4.77 -0.01 0.00 1.01 -0.76 -1.54 120.40 122.69 1wc3 s VAL 1126Ca -0.12 1.37 0.07 0.00 0.00 0.00 0.00 61.98 63.30 1wc3 s VAL 1126Cb -0.02 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 1wc3 s VAL 1126CO 0.07 -0.22 -0.23 -0.69 0.00 0.00 0.00 175.10 174.03 1wc3 s VAL 1127N 3.00 1.81 -5.00 2.92 1.01 -0.02 -0.65 120.40 123.47 1wc3 s VAL 1127Ca 0.35 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1wc3 s VAL 1127Cb -0.14 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.73 1wc3 s VAL 1127CO 0.11 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.31 1wc3 n GLY 1128N 2.44 -0.15 3.66 4.51 0.00 -0.76 -0.37 105.19 114.52 1wc3 n GLY 1128Ca -0.16 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 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 4.12 0.15 0.99 1.43 0.11 -1.40 118.68 124.09 1wc3 s LEU 1129Ca 0.00 1.13 0.11 0.00 -1.03 0.00 0.00 54.13 54.34 1wc3 s LEU 1129Cb 0.00 -3.24 -0.04 0.00 0.03 0.00 0.00 46.19 42.94 1wc3 s LEU 1129CO 0.00 -0.48 -0.26 -0.36 0.23 0.00 0.00 176.35 175.48 1wc3 s PHE 1130N 2.59 2.28 -0.32 0.29 0.40 0.08 -4.53 117.98 118.78 1wc3 s PHE 1130Ca 0.37 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 56.33 1wc3 s PHE 1130Cb -0.16 -1.20 0.00 0.00 0.51 0.00 0.00 43.02 42.18 1wc3 s PHE 1130CO 0.09 0.39 0.00 0.41 0.70 0.00 0.00 175.22 176.81 1wc3 n GLY 1131N 0.68 0.35 0.00 4.36 0.00 -1.26 -0.69 105.19 108.62 1wc3 n GLY 1131Ca -0.16 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1wc3 n GLY 1131CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wc3 n SER 1132N 0.00 0.00 -0.10 1.61 3.41 0.25 -4.93 113.62 113.86 1wc3 n SER 1132Ca 0.00 -0.87 -0.07 0.00 -0.26 0.00 0.00 58.87 57.68 1wc3 n SER 1132Cb 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.06 1wc3 n SER 1132CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1wc3 h GLN 1133N 0.00 0.79 -0.53 4.33 4.15 -2.01 -2.68 115.11 119.17 1wc3 h GLN 1133Ca 0.00 -0.28 -0.09 0.00 0.77 0.00 0.00 58.65 59.05 1wc3 h GLN 1133Cb 0.00 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 1wc3 h GLN 1133CO 0.00 0.89 -0.04 0.93 -1.93 0.00 0.00 178.83 178.68 1wc3 h GLU 1134N 0.71 0.93 -1.94 1.69 3.07 -2.04 -3.44 114.58 113.56 1wc3 h GLU 1134Ca 0.12 -0.29 0.04 0.00 -0.50 0.00 0.00 59.36 58.73 1wc3 h GLU 1134Cb 0.63 -0.09 -0.21 0.00 -0.84 0.00 0.00 28.75 28.24 1wc3 h GLU 1134CO 0.04 0.94 0.02 0.50 -1.40 0.00 0.00 179.01 179.11 1wc3 s ARG 1135N -4.94 0.65 -0.02 2.33 6.06 -1.01 -5.15 118.95 116.87 1wc3 s ARG 1135Ca -0.10 1.23 0.02 0.00 -2.50 0.00 0.00 55.73 54.37 1wc3 s ARG 1135Cb 0.14 0.31 0.00 0.00 0.06 0.00 0.00 34.95 35.46 1wc3 s ARG 1135CO 0.84 -0.15 -0.07 -1.54 -2.50 0.00 0.00 175.30 171.88 1wc3 s SER 1136N 1.92 0.92 0.06 -2.12 1.04 -1.20 0.87 113.70 115.18 1wc3 s SER 1136Ca -0.09 -0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.22 1wc3 s SER 1136Cb -0.06 -0.24 -0.03 0.00 0.10 0.00 0.00 66.02 65.78 1wc3 s SER 1136CO -0.19 0.04 -0.07 -1.81 0.98 0.00 0.00 173.24 172.19 1wc3 s ASP 1137N 0.24 0.87 -0.20 7.02 1.01 0.13 -4.93 116.67 120.81 1wc3 s ASP 1137Ca -0.03 -0.71 -0.23 0.00 0.71 0.00 0.00 52.55 52.29 1wc3 s ASP 1137Cb -0.08 0.07 -0.02 0.00 1.01 0.00 0.00 42.92 43.91 1wc3 s ASP 1137CO 0.00 -0.31 0.75 0.12 0.21 0.00 0.00 175.17 175.94 1wc3 s PHE 1138N -2.19 3.37 0.22 4.23 5.36 -1.26 -0.74 117.98 126.97 1wc3 s PHE 1138Ca -0.03 1.10 -0.06 0.00 -0.96 0.00 0.00 56.93 56.97 1wc3 s PHE 1138Cb -0.04 -2.94 0.03 0.00 -0.34 0.00 0.00 43.02 39.72 1wc3 s PHE 1138CO -0.02 -0.26 0.40 -2.37 -1.46 0.00 0.00 175.22 171.52 1wc3 n THR 1139N 4.86 0.00 -5.11 0.12 5.66 -0.49 -4.90 114.28 114.42 1wc3 n THR 1139Ca 0.02 -0.70 -0.29 0.00 -3.05 0.00 0.00 64.05 60.04 1wc3 n THR 1139Cb 0.49 0.58 -0.16 0.00 -1.55 0.00 0.00 70.33 69.70 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 -1.80 1.96 -0.00 1.79 0.00 -1.26 -1.83 121.76 120.61 1wc3 s ALA 1140Ca 0.11 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 51.08 1wc3 s ALA 1140Cb -0.02 -0.48 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 1wc3 s ALA 1140CO 0.08 0.48 -0.13 0.42 0.00 0.00 0.00 175.76 176.61 1wc3 s ILE 1141N -0.59 1.05 0.00 0.00 -1.09 0.17 -4.94 121.20 115.80 1wc3 s ILE 1141Ca 0.09 -0.64 0.00 0.00 -2.23 0.00 0.00 60.65 57.87 1wc3 s ILE 1141Cb -0.09 -0.89 0.00 0.00 -1.58 0.00 0.00 42.46 39.90 1wc3 s ILE 1141CO -0.00 0.24 0.00 0.61 -1.23 0.00 0.00 174.94 174.56 1wc3 n GLY 1142N 2.61 2.95 0.35 6.18 0.00 -1.26 -1.83 105.19 114.19 1wc3 n GLY 1142Ca -0.15 -1.84 0.16 0.00 0.00 0.00 0.00 46.02 44.19 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 0.63 -0.93 1.61 0.11 -1.99 0.07 132.00 131.51 1wc3 h PRO 1143Ca 0.00 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 66.13 1wc3 h PRO 1143Cb 0.00 -0.14 -0.06 0.00 0.11 0.00 0.00 31.00 30.91 1wc3 h PRO 1143CO 0.00 0.42 0.60 0.77 -0.21 0.00 0.00 178.00 179.58 1wc3 h SER 1144N 0.65 0.94 -0.12 -2.05 0.02 -1.91 0.25 113.55 111.34 1wc3 h SER 1144Ca 0.61 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.46 1wc3 h SER 1144Cb 1.09 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.44 1wc3 h SER 1144CO -0.43 0.61 -0.36 0.58 -1.14 0.00 0.00 176.83 176.09 1wc3 h VAL 1145N 1.07 1.38 -0.58 2.27 2.07 -1.33 -2.57 116.25 118.56 1wc3 h VAL 1145Ca 0.40 -1.67 0.09 0.00 0.82 0.00 0.00 66.70 66.33 1wc3 h VAL 1145Cb 0.18 2.12 -0.07 0.00 -1.52 0.00 0.00 31.29 32.00 1wc3 h VAL 1145CO -0.15 0.50 0.22 0.78 0.02 0.00 0.00 177.57 178.93 1wc3 h ASN 1146N 0.04 0.22 -0.36 0.57 -0.26 -0.55 -2.10 115.58 113.15 1wc3 h ASN 1146Ca -0.01 0.07 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 1wc3 h ASN 1146Cb 0.98 0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 38.28 1wc3 h ASN 1146CO 0.08 0.14 0.23 0.40 -1.06 0.00 0.00 177.43 177.22 1wc3 h ILE 1147N 0.40 1.10 -0.86 2.81 2.04 -0.50 -1.42 117.51 121.07 1wc3 h ILE 1147Ca 0.29 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.97 1wc3 h ILE 1147Cb 0.34 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 1wc3 h ILE 1147CO -0.29 0.10 0.56 0.00 0.00 0.00 0.00 178.15 178.52 1wc3 h ALA 1148N 1.12 1.37 -0.45 1.87 0.00 -1.00 -0.15 119.26 122.02 1wc3 h ALA 1148Ca 0.13 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1wc3 h ALA 1148Cb -0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1wc3 h ALA 1148CO -0.03 0.58 -0.17 0.00 0.00 0.00 0.00 179.25 179.63 1wc3 h ALA 1149N 1.45 0.63 -0.17 0.00 0.00 -1.10 -2.53 119.26 117.54 1wc3 h ALA 1149Ca 0.32 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1wc3 h ALA 1149Cb -0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1wc3 h ALA 1149CO -0.07 0.57 -0.23 0.00 0.00 0.00 0.00 179.25 179.53 1wc3 h ARG 1150N 0.75 0.30 -0.33 0.00 3.08 -0.63 -2.57 114.38 114.98 1wc3 h ARG 1150Ca 0.11 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 1wc3 h ARG 1150Cb 0.73 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 1wc3 h ARG 1150CO 0.06 0.52 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.39 1wc3 h LEU 1151N 0.28 0.59 -1.18 3.04 3.38 -0.88 -1.65 115.31 118.89 1wc3 h LEU 1151Ca 0.05 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.73 1wc3 h LEU 1151Cb 0.56 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 1wc3 h LEU 1151CO 0.04 0.77 0.56 -0.61 0.09 0.00 0.00 178.44 179.29 1wc3 h GLN 1152N 0.40 1.03 0.00 1.13 -0.00 -1.16 -1.74 115.11 114.77 1wc3 h GLN 1152Ca 0.09 -0.06 -0.06 0.00 -0.00 0.00 0.00 58.65 58.62 1wc3 h GLN 1152Cb 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 27.48 27.71 1wc3 h GLN 1152CO 0.02 0.68 -0.32 0.93 0.00 0.00 0.00 178.83 180.14 1wc3 h GLU 1153N 1.06 0.00 0.00 1.69 5.08 -1.33 -3.32 114.58 117.76 1wc3 h GLU 1153Ca 0.34 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.58 1wc3 h GLU 1153Cb 0.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1wc3 h GLU 1153CO -0.10 0.29 -0.89 0.00 -1.00 0.00 0.00 179.01 177.31 1wc3 h ALA 1154N 1.70 0.66 -2.36 3.43 0.00 -0.67 -3.47 119.26 118.56 1wc3 h ALA 1154Ca -0.01 -0.55 -0.50 0.00 0.00 0.00 0.00 54.91 53.85 1wc3 h ALA 1154Cb 1.23 0.07 0.08 0.00 0.00 0.00 0.00 17.79 19.18 1wc3 h ALA 1154CO 0.04 0.66 0.37 -0.08 0.00 0.00 0.00 179.25 180.24 1wc3 s THR 1155N -2.99 3.74 0.84 0.00 -1.32 -0.72 -5.04 115.64 110.15 1wc3 s THR 1155Ca 0.01 0.73 -0.12 0.00 -1.21 0.00 0.00 61.69 61.11 1wc3 s THR 1155Cb 0.08 -3.31 0.10 0.00 -1.51 0.00 0.00 72.50 67.86 1wc3 s THR 1155CO 0.77 -0.57 1.10 0.00 -2.21 0.00 0.00 174.62 173.71 1wc3 s ALA 1156N -2.62 2.02 0.34 11.08 0.00 -1.26 -4.98 121.76 126.33 1wc3 s ALA 1156Ca 0.62 -0.26 -0.28 0.00 0.00 0.00 0.00 51.96 52.05 1wc3 s ALA 1156Cb -0.16 -3.10 -0.13 0.00 0.00 0.00 0.00 23.12 19.73 1wc3 s ALA 1156CO 0.44 -1.96 1.20 -2.30 0.00 0.00 0.00 175.76 173.14 1wc3 n PRO 1157N -3.58 1.89 -3.66 0.00 -0.02 -1.26 -3.43 135.00 124.93 1wc3 n PRO 1157Ca 0.07 0.66 -0.27 0.00 -2.02 0.00 0.00 63.50 61.94 1wc3 n PRO 1157Cb 0.57 -2.19 0.02 0.00 -0.02 0.00 0.00 33.50 31.88 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 0.85 -5.46 -3.82 2.55 3.02 0.21 -4.92 115.26 107.69 1wc3 n ASN 1158Ca 0.06 -0.90 -0.09 0.00 -0.03 0.00 0.00 54.58 53.63 1wc3 n ASN 1158Cb 0.35 -3.06 -0.03 0.00 -0.61 0.00 0.00 39.78 36.43 1wc3 n ASN 1158CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1wc3 s SER 1159N -3.29 -0.24 -0.11 6.41 1.04 -1.06 -4.98 113.70 111.47 1wc3 s SER 1159Ca 0.29 -0.59 0.01 0.00 0.48 0.00 0.00 55.95 56.15 1wc3 s SER 1159Cb -0.12 0.63 0.02 0.00 0.10 0.00 0.00 66.02 66.65 1wc3 s SER 1159CO 0.87 -1.16 -0.14 -0.63 0.98 0.00 0.00 173.24 173.15 1wc3 s ILE 1160N -3.91 1.45 -0.09 -1.02 1.01 -1.26 -2.42 121.20 114.96 1wc3 s ILE 1160Ca 0.12 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 60.20 1wc3 s ILE 1160Cb -0.03 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 41.10 1wc3 s ILE 1160CO 0.02 0.43 -0.21 -0.32 0.00 0.00 0.00 174.94 174.87 1wc3 s MET 1161N 1.05 2.88 0.18 2.79 1.75 0.03 -1.80 119.30 126.20 1wc3 s MET 1161Ca -0.05 -0.83 0.05 0.00 -1.25 0.00 0.00 55.69 53.61 1wc3 s MET 1161Cb -0.15 -2.33 -0.05 0.00 2.84 0.00 0.00 34.83 35.14 1wc3 s MET 1161CO -0.02 0.31 -0.08 0.14 -0.65 0.00 0.00 175.02 174.72 1wc3 s VAL 1162N 0.04 1.22 0.81 10.11 -7.23 -0.22 -1.17 120.40 123.95 1wc3 s VAL 1162Ca -0.08 -2.07 -0.09 0.00 -1.81 0.00 0.00 61.98 57.92 1wc3 s VAL 1162Cb -0.15 -2.05 0.12 0.00 0.56 0.00 0.00 36.38 34.86 1wc3 s VAL 1162CO 0.05 -0.58 1.14 -0.94 -0.31 0.00 0.00 175.10 174.46 1wc3 s SER 1163N -3.24 4.15 0.29 4.85 1.04 -1.03 -0.35 113.70 119.42 1wc3 s SER 1163Ca 0.21 0.32 -0.01 0.00 0.48 0.00 0.00 55.95 56.96 1wc3 s SER 1163Cb 0.03 -0.71 0.44 0.00 0.10 0.00 0.00 66.02 65.89 1wc3 s SER 1163CO 0.04 -2.05 1.86 0.00 0.98 0.00 0.00 173.24 174.08 1wc3 h ALA 1164N -0.99 1.28 -0.43 5.32 0.00 -1.92 0.59 119.26 123.11 1wc3 h ALA 1164Ca -0.43 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.36 1wc3 h ALA 1164Cb 1.28 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1wc3 h ALA 1164CO 0.51 0.52 0.29 1.98 0.00 0.00 0.00 179.25 182.55 1wc3 h MET 1165N 0.82 0.37 0.08 0.00 1.85 -1.90 -1.64 114.93 114.50 1wc3 h MET 1165Ca 0.19 -0.02 -0.23 0.00 -0.61 0.00 0.00 59.70 59.03 1wc3 h MET 1165Cb 0.21 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.15 1wc3 h MET 1165CO -0.01 0.25 -1.19 0.28 -0.40 0.00 0.00 176.91 175.84 1wc3 h VAL 1166N 0.38 1.12 -0.15 -5.77 2.07 -1.70 -3.38 116.25 108.82 1wc3 h VAL 1166Ca 0.19 -2.35 0.04 0.00 0.82 0.00 0.00 66.70 65.40 1wc3 h VAL 1166Cb 0.26 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 1wc3 h VAL 1166CO -0.04 0.62 0.13 0.00 0.02 0.00 0.00 177.57 178.29 1wc3 h ALA 1167N -0.12 1.98 0.00 1.67 0.00 -0.54 -2.16 119.26 120.09 1wc3 h ALA 1167Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1wc3 h ALA 1167Cb 1.57 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1wc3 h ALA 1167CO 0.00 -0.21 0.04 -0.56 0.00 0.00 0.00 179.25 178.52 1wc3 h GLN 1168N 0.00 0.00 -0.02 0.00 3.07 -1.48 0.10 115.11 116.78 1wc3 h GLN 1168Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.81 1wc3 h GLN 1168Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.89 1wc3 h GLN 1168CO -0.00 0.00 -0.22 0.66 0.09 0.00 0.00 178.83 179.36 1wc3 n TYR 1169N -2.99 0.00 -3.60 0.06 4.02 -0.81 -4.93 117.16 108.91 1wc3 n TYR 1169Ca -0.03 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.50 1wc3 n TYR 1169Cb 0.10 -0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.34 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 -2.22 5.34 0.14 -0.72 1.01 0.35 -5.00 120.40 119.30 1wc3 s VAL 1170Ca 0.24 0.43 -0.34 0.00 0.00 0.00 0.00 61.98 62.31 1wc3 s VAL 1170Cb 0.19 -3.58 -0.15 0.00 0.00 0.00 0.00 36.38 32.84 1wc3 s VAL 1170CO 0.43 0.41 1.38 -2.65 0.00 0.00 0.00 175.10 174.67 1wc3 n PRO 1171N 3.48 1.56 -0.28 2.72 -0.02 -1.26 -4.83 135.00 136.36 1wc3 n PRO 1171Ca -0.13 0.56 0.07 0.00 -2.02 0.00 0.00 63.50 61.97 1wc3 n PRO 1171Cb 0.52 -2.21 0.18 0.00 -0.02 0.00 0.00 33.50 31.96 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 4.67 -0.43 0.00 2.55 3.32 -1.96 0.14 116.42 124.71 1wc3 h ASP 1172Ca -0.46 0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1wc3 h ASP 1172Cb 1.31 0.40 0.00 0.00 0.22 0.00 0.00 39.33 41.25 1wc3 h ASP 1172CO 0.79 -0.23 0.05 -1.84 -1.72 0.00 0.00 179.24 176.29 1wc3 n GLU 1173N -5.40 0.05 0.00 3.56 0.00 -1.26 -1.43 120.64 116.16 1wc3 n GLU 1173Ca 0.15 0.53 0.12 0.00 0.00 0.00 0.00 57.16 57.96 1wc3 n GLU 1173Cb 0.52 -1.72 0.17 0.00 0.00 0.00 0.00 31.44 30.42 1wc3 n GLU 1173CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1wc3 n GLU 1174N -1.76 0.62 -2.95 3.44 1.02 0.50 -4.79 120.64 116.71 1wc3 n GLU 1174Ca -0.01 -0.44 -0.43 0.00 -0.02 0.00 0.00 57.16 56.27 1wc3 n GLU 1174Cb 0.06 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 29.93 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 -2.68 4.62 0.05 -3.67 1.01 -0.52 -0.31 121.20 119.70 1wc3 s ILE 1175Ca 0.17 0.38 -0.15 0.00 0.00 0.00 0.00 60.65 61.06 1wc3 s ILE 1175Cb 0.18 -4.35 -0.31 0.00 0.01 0.00 0.00 42.46 37.99 1wc3 s ILE 1175CO 0.63 -0.78 1.08 0.40 0.00 0.00 0.00 174.94 176.27 1wc3 h ILE 1176N 5.99 1.28 -2.86 2.92 1.08 -1.05 -3.47 117.51 121.40 1wc3 h ILE 1176Ca -0.25 -2.52 -0.14 0.00 -0.39 0.00 0.00 64.86 61.56 1wc3 h ILE 1176Cb 1.08 2.78 -0.25 0.00 -3.07 0.00 0.00 36.82 37.37 1wc3 h ILE 1176CO 0.98 0.76 -0.30 -0.75 -0.69 0.00 0.00 178.15 178.16 1wc3 s LYS 1177N -2.89 0.41 0.06 2.37 2.20 -1.18 -4.99 119.74 115.72 1wc3 s LYS 1177Ca -0.09 0.51 0.07 0.00 -0.36 0.00 0.00 55.97 56.10 1wc3 s LYS 1177Cb 0.05 0.19 -0.03 0.00 -1.51 0.00 0.00 37.83 36.53 1wc3 s LYS 1177CO 0.94 -0.06 -0.15 1.03 -0.36 0.00 0.00 175.35 176.75 1wc3 s ARG 1178N 0.25 2.10 -0.29 4.03 0.52 -1.26 -1.06 118.95 123.25 1wc3 s ARG 1178Ca -0.01 -0.98 -0.20 0.00 -0.52 0.00 0.00 55.73 54.02 1wc3 s ARG 1178Cb -0.03 -2.24 0.13 0.00 0.52 0.00 0.00 34.95 33.34 1wc3 s ARG 1178CO -0.00 0.53 1.01 -2.00 0.02 0.00 0.00 175.30 174.86 1wc3 s GLU 1179N -1.67 0.43 0.15 3.54 2.12 -0.85 -5.00 118.70 117.42 1wc3 s GLU 1179Ca 0.17 0.63 -0.28 0.00 0.36 0.00 0.00 54.97 55.84 1wc3 s GLU 1179Cb -0.11 0.15 -0.07 0.00 0.26 0.00 0.00 34.13 34.36 1wc3 s GLU 1179CO 0.08 -0.07 0.88 -0.06 -0.54 0.00 0.00 175.26 175.55 1wc3 s PHE 1180N 0.79 3.88 -0.01 5.30 0.40 -1.26 -0.98 117.98 126.10 1wc3 s PHE 1180Ca -0.03 1.75 0.04 0.00 -0.60 0.00 0.00 56.93 58.09 1wc3 s PHE 1180Cb -0.04 -2.93 -0.01 0.00 0.51 0.00 0.00 43.02 40.55 1wc3 s PHE 1180CO -0.11 0.37 -0.14 -0.51 0.70 0.00 0.00 175.22 175.52 1wc3 s LEU 1181N -0.64 2.04 -0.55 -0.37 1.43 -0.32 -4.92 118.68 115.35 1wc3 s LEU 1181Ca 0.41 -0.27 -0.22 0.00 -1.03 0.00 0.00 54.13 53.01 1wc3 s LEU 1181Cb -0.24 -0.74 0.05 0.00 0.03 0.00 0.00 46.19 45.30 1wc3 s LEU 1181CO 0.29 0.17 0.85 -1.61 0.23 0.00 0.00 176.35 176.28 1wc3 s GLU 1182N -0.39 3.24 -0.08 1.70 0.41 -1.26 -1.08 118.70 121.24 1wc3 s GLU 1182Ca 0.05 -0.52 -0.07 0.00 -0.41 0.00 0.00 54.97 54.01 1wc3 s GLU 1182Cb -0.06 -4.09 -0.04 0.00 -1.78 0.00 0.00 34.13 28.16 1wc3 s GLU 1182CO -0.00 -1.45 0.19 -0.51 -0.49 0.00 0.00 175.26 172.99 1wc3 s LEU 1183N 3.58 4.40 0.45 1.80 1.43 -1.26 -5.05 118.68 124.03 1wc3 s LEU 1183Ca 0.25 0.53 -0.24 0.00 -1.03 0.00 0.00 54.13 53.64 1wc3 s LEU 1183Cb -0.15 -2.25 -0.09 0.00 0.03 0.00 0.00 46.19 43.72 1wc3 s LEU 1183CO 0.16 0.37 1.07 1.17 0.23 0.00 0.00 176.35 179.34 1wc3 n LYS 1184N 1.76 1.42 -0.52 1.70 4.81 -1.26 -1.75 118.16 124.32 1wc3 n LYS 1184Ca -0.17 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.78 1wc3 n LYS 1184Cb 0.54 -2.15 0.00 0.00 0.02 0.00 0.00 35.03 33.44 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 1.11 0.91 3.22 3.14 0.00 -1.26 -4.96 105.19 107.35 1wc3 n GLY 1185Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.47 2.28 -0.10 -0.61 -1.09 -0.72 -5.03 121.20 113.47 1wc3 s ILE 1186Ca 0.00 -0.92 -0.16 0.00 -2.23 0.00 0.00 60.65 57.34 1wc3 s ILE 1186Cb 0.00 -1.91 -0.13 0.00 -1.58 0.00 0.00 42.46 38.83 1wc3 s ILE 1186CO 0.00 0.54 0.52 0.44 -1.23 0.00 0.00 174.94 175.22 1wc3 h ASP 1187N 7.06 -0.07 -2.74 3.58 3.32 -1.93 -3.41 116.42 122.24 1wc3 h ASP 1187Ca -0.27 -0.43 -0.55 0.00 0.02 0.00 0.00 57.03 55.80 1wc3 h ASP 1187Cb 1.21 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 1wc3 h ASP 1187CO 0.53 0.61 1.00 -1.61 -1.72 0.00 0.00 179.24 178.04 1wc3 s GLU 1188N -2.37 4.21 0.37 3.56 0.41 -1.26 -4.96 118.70 118.66 1wc3 s GLU 1188Ca -0.10 2.02 -0.26 0.00 -0.41 0.00 0.00 54.97 56.22 1wc3 s GLU 1188Cb -0.01 -3.85 -0.12 0.00 -1.78 0.00 0.00 34.13 28.37 1wc3 s GLU 1188CO 0.37 -0.76 1.15 -2.30 -0.49 0.00 0.00 175.26 173.23 1wc3 n PRO 1189N 6.67 1.72 -3.77 0.39 -0.02 -1.26 -4.86 135.00 133.86 1wc3 n PRO 1189Ca 0.16 0.61 -0.36 0.00 -2.02 0.00 0.00 63.50 61.88 1wc3 n PRO 1189Cb 0.43 -2.16 -0.11 0.00 -0.02 0.00 0.00 33.50 31.64 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 -1.16 4.86 -0.15 -1.45 1.01 -0.24 -4.84 120.40 118.42 1wc3 s VAL 1190Ca 0.59 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 62.29 1wc3 s VAL 1190Cb -0.58 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1wc3 s VAL 1190CO 0.59 0.35 1.44 -0.32 0.00 0.00 0.00 175.10 177.17 1wc3 s MET 1191N 1.19 4.13 0.13 2.72 1.75 -1.26 -1.18 119.30 126.79 1wc3 s MET 1191Ca 0.06 1.81 0.07 0.00 -1.25 0.00 0.00 55.69 56.38 1wc3 s MET 1191Cb -0.14 -3.88 -0.04 0.00 2.84 0.00 0.00 34.83 33.60 1wc3 s MET 1191CO 0.05 -0.86 -0.07 0.95 -0.65 0.00 0.00 175.02 174.43 1wc3 s THR 1192N 3.97 3.44 -0.08 10.11 -4.23 -0.15 -3.00 115.64 125.70 1wc3 s THR 1192Ca 0.63 -1.35 -0.00 0.00 -1.18 0.00 0.00 61.69 59.79 1wc3 s THR 1192Cb -0.26 -2.65 0.02 0.00 1.34 0.00 0.00 72.50 70.96 1wc3 s THR 1192CO 0.22 0.03 -0.05 0.00 -0.54 0.00 0.00 174.62 174.28 1wc3 s VAL 1194N 1.58 4.97 0.11 0.00 1.01 -0.23 -1.06 120.40 126.78 1wc3 s VAL 1194Ca 0.01 1.43 0.03 0.00 0.00 0.00 0.00 61.98 63.45 1wc3 s VAL 1194Cb -0.13 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1wc3 s VAL 1194CO -0.05 0.11 0.13 0.27 0.00 0.00 0.00 175.10 175.57 1wc3 s ILE 1195N 1.72 4.71 0.06 2.22 -4.36 -0.74 -0.42 121.20 124.38 1wc3 s ILE 1195Ca 0.35 -0.79 -0.30 0.00 -0.26 0.00 0.00 60.65 59.65 1wc3 s ILE 1195Cb -0.17 -3.32 -0.09 0.00 1.25 0.00 0.00 42.46 40.13 1wc3 s ILE 1195CO 0.13 0.05 1.91 0.21 0.24 0.00 0.00 174.94 177.47 1wc3 s ASN 1196N -2.67 6.46 0.00 4.36 2.47 0.58 -4.49 114.94 121.65 1wc3 s ASN 1196Ca 0.31 2.67 0.08 0.00 0.42 0.00 0.00 52.86 56.33 1wc3 s ASN 1196Cb -0.12 -2.54 0.37 0.00 -1.45 0.00 0.00 41.25 37.51 1wc3 s ASN 1196CO 0.24 -1.03 1.14 -0.81 -3.72 0.00 0.00 177.10 172.92 1wc3 n PRO 1197N 6.98 0.08 0.00 0.43 -0.04 -1.26 -4.14 135.00 137.06 1wc3 n PRO 1197Ca 0.19 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 1wc3 n PRO 1197Cb 0.40 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1wc3 n PRO 1197CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wc3 n ASN 1198N -1.34 0.00 0.00 3.54 3.02 -1.26 -4.74 115.26 114.48 1wc3 n ASN 1198Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1wc3 n ASN 1198Cb 0.07 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 1wc3 n ASN 1198CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1wc3 n MET 1199N -0.67 -1.23 0.00 3.52 1.56 -1.26 -5.02 117.12 114.02 1wc3 n MET 1199Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1wc3 n MET 1199Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 1wc3 n MET 1199CO 0.00 0.00 0.00 1.47 -0.73 0.00 0.00 175.97 176.71