#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wc5 s HIS 1003N 0.00 -0.20 -0.41 0.66 0.00 -1.26 -5.12 115.29 108.96 1wc5 s HIS 1003Ca 0.00 0.28 -0.21 0.00 -3.00 0.00 0.00 55.06 52.13 1wc5 s HIS 1003Cb 0.00 0.49 0.02 0.00 -4.00 0.00 0.00 32.58 29.08 1wc5 s HIS 1003CO 0.00 -0.23 0.67 1.41 -1.00 0.00 0.00 174.74 175.59 1wc5 s MET 1004N -1.60 3.47 0.08 -0.38 -2.45 -1.26 -5.01 119.30 112.15 1wc5 s MET 1004Ca 0.05 -0.15 -0.30 0.00 -1.25 0.00 0.00 55.69 54.04 1wc5 s MET 1004Cb -0.01 -3.89 -0.10 0.00 1.25 0.00 0.00 34.83 32.09 1wc5 s MET 1004CO -0.04 -0.92 1.89 0.50 1.05 0.00 0.00 175.02 177.51 1wc5 s ARG 1005N 2.86 4.14 0.02 4.11 3.52 -1.26 -4.68 118.95 127.65 1wc5 s ARG 1005Ca 0.25 2.60 -0.34 0.00 -0.13 0.00 0.00 55.73 58.11 1wc5 s ARG 1005Cb -0.14 -3.87 -0.17 0.00 -1.56 0.00 0.00 34.95 29.20 1wc5 s ARG 1005CO 0.18 -0.90 0.89 -2.30 -0.81 0.00 0.00 175.30 172.37 1wc5 n PRO 1006N 6.60 0.00 -4.27 5.12 -0.02 -1.26 -4.96 135.00 136.22 1wc5 n PRO 1006Ca 0.19 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.50 1wc5 n PRO 1006Cb 0.40 -1.28 -0.11 0.00 -0.02 0.00 0.00 33.50 32.50 1wc5 n PRO 1006CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1wc5 s GLU 1007N -0.08 1.10 0.84 -0.52 -1.05 -1.05 -4.85 118.70 113.09 1wc5 s GLU 1007Ca 0.78 -1.38 -0.10 0.00 -0.15 0.00 0.00 54.97 54.11 1wc5 s GLU 1007Cb -1.09 -0.86 0.10 0.00 -0.44 0.00 0.00 34.13 31.84 1wc5 s GLU 1007CO 0.50 0.14 1.11 -2.14 0.95 0.00 0.00 175.26 175.82 1wc5 s PRO 1008N -3.23 1.67 0.00 -4.83 0.02 -1.26 -1.64 135.00 125.74 1wc5 s PRO 1008Ca 0.14 1.26 0.00 0.00 0.02 0.00 0.00 61.00 62.43 1wc5 s PRO 1008Cb -0.02 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.68 1wc5 s PRO 1008CO 0.03 -2.08 0.00 -2.13 -0.33 0.00 0.00 177.00 172.49 1wc5 n ARG 1009N -3.83 0.00 -2.80 5.54 0.63 -0.67 -4.86 116.66 110.67 1wc5 n ARG 1009Ca 0.10 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.61 1wc5 n ARG 1009Cb 0.53 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.40 1wc5 n ARG 1009CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1wc5 s LEU 1010N 0.00 4.31 0.19 6.15 2.96 -1.26 -1.98 118.68 129.05 1wc5 s LEU 1010Ca 0.00 1.47 -0.10 0.00 -0.22 0.00 0.00 54.13 55.27 1wc5 s LEU 1010Cb 0.00 -3.42 -0.00 0.00 0.50 0.00 0.00 46.19 43.27 1wc5 s LEU 1010CO 0.00 -0.29 0.35 0.27 -1.32 0.00 0.00 176.35 175.37 1wc5 s ILE 1011N 1.33 0.04 -0.11 6.68 -4.36 -0.84 -4.84 121.20 119.10 1wc5 s ILE 1011Ca 0.46 -1.36 0.02 0.00 -0.26 0.00 0.00 60.65 59.51 1wc5 s ILE 1011Cb -0.19 -1.94 -0.01 0.00 1.25 0.00 0.00 42.46 41.56 1wc5 s ILE 1011CO 0.22 -0.18 -0.17 -0.89 0.24 0.00 0.00 174.94 174.16 1wc5 s THR 1012N -3.98 2.75 -0.14 8.37 2.01 -0.14 -1.75 115.64 122.75 1wc5 s THR 1012Ca 0.19 -0.78 -0.01 0.00 0.31 0.00 0.00 61.69 61.40 1wc5 s THR 1012Cb 0.02 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.40 1wc5 s THR 1012CO 0.03 0.54 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.76 1wc5 s ILE 1013N 0.17 3.20 -0.11 1.82 1.01 0.15 -1.44 121.20 126.00 1wc5 s ILE 1013Ca -0.09 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 59.98 1wc5 s ILE 1013Cb -0.16 -2.36 -0.00 0.00 0.01 0.00 0.00 42.46 39.95 1wc5 s ILE 1013CO 0.06 0.52 -0.21 -0.22 0.00 0.00 0.00 174.94 175.09 1wc5 s LEU 1014N 0.36 2.27 -0.06 2.97 0.20 -0.41 -0.97 118.68 123.04 1wc5 s LEU 1014Ca -0.10 -0.50 0.05 0.00 0.69 0.00 0.00 54.13 54.28 1wc5 s LEU 1014Cb -0.16 -1.47 -0.01 0.00 -0.43 0.00 0.00 46.19 44.12 1wc5 s LEU 1014CO 0.05 0.15 -0.23 -0.36 -0.29 0.00 0.00 176.35 175.67 1wc5 s PHE 1015N 0.40 2.24 -0.01 5.38 0.40 -0.16 -1.05 117.98 125.19 1wc5 s PHE 1015Ca -0.15 -0.68 -0.01 0.00 -0.60 0.00 0.00 56.93 55.49 1wc5 s PHE 1015Cb -0.17 -1.48 0.01 0.00 0.51 0.00 0.00 43.02 41.88 1wc5 s PHE 1015CO 0.07 -0.22 0.03 -1.54 0.70 0.00 0.00 175.22 174.26 1wc5 s SER 1016N -0.07 -0.02 -0.00 1.36 1.04 -1.00 -0.57 113.70 114.43 1wc5 s SER 1016Ca -0.05 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1wc5 s SER 1016Cb -0.13 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.03 1wc5 s SER 1016CO 0.04 -0.04 -0.00 -0.62 0.98 0.00 0.00 173.24 173.60 1wc5 s ASP 1017N 0.24 0.08 0.20 7.02 3.68 0.16 -1.56 116.67 126.50 1wc5 s ASP 1017Ca -0.02 -0.01 -0.31 0.00 2.13 0.00 0.00 52.55 54.35 1wc5 s ASP 1017Cb -0.03 -0.02 -0.10 0.00 -1.45 0.00 0.00 42.92 41.33 1wc5 s ASP 1017CO -0.01 -0.01 1.45 -0.63 0.13 0.00 0.00 175.17 176.11 1wc5 s ILE 1018N 0.12 2.79 -0.07 4.11 1.01 -1.15 -0.43 121.20 127.59 1wc5 s ILE 1018Ca -0.01 0.62 -0.30 0.00 0.00 0.00 0.00 60.65 60.97 1wc5 s ILE 1018Cb -0.02 -3.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.03 1wc5 s ILE 1018CO -0.00 0.08 1.00 -0.69 0.00 0.00 0.00 174.94 175.32 1wc5 s VAL 1019N 0.47 4.81 -1.27 2.92 1.01 0.64 -4.12 120.40 124.86 1wc5 s VAL 1019Ca 0.63 2.05 -0.05 0.00 0.00 0.00 0.00 61.98 64.61 1wc5 s VAL 1019Cb -0.41 -4.32 -0.01 0.00 0.00 0.00 0.00 36.38 31.65 1wc5 s VAL 1019CO 0.38 0.06 0.70 0.61 0.00 0.00 0.00 175.10 176.84 1wc5 n GLY 1020N 3.03 -0.49 0.20 4.51 0.00 -1.26 -4.67 105.19 106.51 1wc5 n GLY 1020Ca 0.08 0.23 -0.02 0.00 0.00 0.00 0.00 46.02 46.31 1wc5 n GLY 1020CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1wc5 h PHE 1021N -1.80 0.28 0.41 1.61 3.57 -1.97 -3.16 116.94 115.88 1wc5 h PHE 1021Ca -0.62 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 60.80 1wc5 h PHE 1021Cb 1.36 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 40.01 1wc5 h PHE 1021CO 0.43 0.59 -0.36 1.15 -2.23 0.00 0.00 178.31 177.89 1wc5 h THR 1022N 0.21 0.27 -0.47 4.41 2.02 -1.94 0.70 112.91 118.11 1wc5 h THR 1022Ca 0.02 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.30 1wc5 h THR 1022Cb 0.76 0.27 -0.09 0.00 -1.74 0.00 0.00 68.15 67.34 1wc5 h THR 1022CO 0.06 0.00 -0.12 0.03 0.37 0.00 0.00 175.52 175.85 1wc5 h ARG 1023N -0.78 -0.01 -0.73 6.66 3.08 -1.96 -0.75 114.38 119.90 1wc5 h ARG 1023Ca -0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1wc5 h ARG 1023Cb 0.68 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.70 1wc5 h ARG 1023CO -0.03 -0.00 0.37 1.98 -1.07 0.00 0.00 179.97 181.21 1wc5 h MET 1024N -0.01 1.04 -0.46 0.04 4.05 -1.44 -2.20 114.93 115.94 1wc5 h MET 1024Ca 0.23 -0.14 0.06 0.00 -0.28 0.00 0.00 59.70 59.56 1wc5 h MET 1024Cb 0.35 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 30.94 1wc5 h MET 1024CO -0.49 0.80 0.31 1.03 0.23 0.00 0.00 176.91 178.79 1wc5 h SER 1025N 1.01 0.35 -0.10 1.39 0.87 0.18 -0.59 113.55 116.66 1wc5 h SER 1025Ca 0.25 -0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.69 1wc5 h SER 1025Cb 0.09 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1wc5 h SER 1025CO -0.03 0.23 -0.43 0.78 -0.53 0.00 0.00 176.83 176.85 1wc5 h ASN 1026N 0.40 0.56 -0.37 6.23 2.35 -0.68 -3.31 115.58 120.76 1wc5 h ASN 1026Ca 0.20 -0.63 -0.12 0.00 -0.55 0.00 0.00 56.30 55.20 1wc5 h ASN 1026Cb 0.28 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1wc5 h ASN 1026CO -0.05 1.09 -0.22 0.00 -1.65 0.00 0.00 177.43 176.60 1wc5 h ALA 1027N 0.48 0.80 -3.16 -0.83 0.00 -0.97 -3.44 119.26 112.13 1wc5 h ALA 1027Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1wc5 h ALA 1027Cb 1.06 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1wc5 h ALA 1027CO 0.09 0.65 0.00 1.28 0.00 0.00 0.00 179.25 181.27 1wc5 n LEU 1028N -4.11 0.00 -3.88 0.00 4.77 -0.28 -5.09 117.00 108.40 1wc5 n LEU 1028Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1wc5 n LEU 1028Cb 0.44 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.43 1wc5 n LEU 1028CO 0.45 -0.46 -0.20 0.00 -1.33 0.00 0.00 177.39 175.85 1wc5 s GLN 1029N -2.57 0.44 0.00 3.23 -2.07 -1.26 -4.92 119.66 112.51 1wc5 s GLN 1029Ca 0.00 -0.39 0.00 0.00 -1.82 0.00 0.00 55.36 53.15 1wc5 s GLN 1029Cb 0.00 0.18 0.00 0.00 -1.09 0.00 0.00 33.01 32.10 1wc5 s GLN 1029CO 0.00 -0.10 0.00 0.45 -1.32 0.00 0.00 175.29 174.32 1wc5 n SER 1030N 1.56 0.00 0.02 12.60 2.88 -1.26 0.26 113.62 129.68 1wc5 n SER 1030Ca -0.22 0.00 0.21 0.00 -1.33 0.00 0.00 58.87 57.53 1wc5 n SER 1030Cb 0.56 0.00 0.60 0.00 -0.75 0.00 0.00 64.21 64.62 1wc5 n SER 1030CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 1wc5 h GLN 1031N 0.00 0.00 0.03 -1.46 -0.00 -1.99 0.52 115.11 112.21 1wc5 h GLN 1031Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1wc5 h GLN 1031Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 1wc5 h GLN 1031CO 0.00 0.00 -0.01 0.78 -0.00 0.00 0.00 178.83 179.60 1wc5 h GLY 1032N 0.00 -0.04 0.54 0.06 0.00 0.32 -2.76 103.07 101.20 1wc5 h GLY 1032Ca 0.27 0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.66 1wc5 h GLY 1032CO -0.00 -0.01 -0.07 -2.08 0.00 0.00 0.00 176.54 174.37 1wc5 h VAL 1033N -1.00 0.74 -0.52 4.60 2.07 0.48 0.12 116.25 122.74 1wc5 h VAL 1033Ca -0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.61 1wc5 h VAL 1033Cb 0.29 0.74 -0.08 0.00 -1.52 0.00 0.00 31.29 30.73 1wc5 h VAL 1033CO 0.01 0.00 0.06 0.00 0.02 0.00 0.00 177.57 177.66 1wc5 h ALA 1034N 1.15 0.56 -0.01 1.67 0.00 -0.20 -0.63 119.26 121.80 1wc5 h ALA 1034Ca 0.10 0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 1wc5 h ALA 1034Cb 0.19 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1wc5 h ALA 1034CO -0.23 -0.34 -0.77 0.93 0.00 0.00 0.00 179.25 178.84 1wc5 h GLU 1035N 0.19 0.11 -0.54 0.00 4.39 -1.11 -2.48 114.58 115.15 1wc5 h GLU 1035Ca 0.27 -0.11 -0.11 0.00 0.34 0.00 0.00 59.36 59.75 1wc5 h GLU 1035Cb 0.39 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1wc5 h GLU 1035CO -0.38 0.83 -0.09 1.25 -1.16 0.00 0.00 179.01 179.45 1wc5 h LEU 1036N 0.07 1.00 -0.05 1.33 6.46 -0.19 -2.50 115.31 121.43 1wc5 h LEU 1036Ca -0.02 -0.32 -0.01 0.00 -0.12 0.00 0.00 57.88 57.41 1wc5 h LEU 1036Cb 1.35 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 41.01 1wc5 h LEU 1036CO 0.11 1.10 0.01 0.25 -0.62 0.00 0.00 178.44 179.28 1wc5 h LEU 1037N 0.89 0.09 -1.34 2.25 6.46 -1.09 -1.82 115.31 120.76 1wc5 h LEU 1037Ca 0.14 -0.28 0.04 0.00 -0.12 0.00 0.00 57.88 57.67 1wc5 h LEU 1037Cb 0.65 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.51 1wc5 h LEU 1037CO 0.04 0.34 0.48 0.78 -0.62 0.00 0.00 178.44 179.47 1wc5 h ASN 1038N -0.17 0.74 -0.35 1.25 2.35 -1.45 0.44 115.58 118.40 1wc5 h ASN 1038Ca 0.02 -0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.63 1wc5 h ASN 1038Cb 0.29 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1wc5 h ASN 1038CO 0.00 0.50 -0.28 -0.33 -1.65 0.00 0.00 177.43 175.67 1wc5 h GLU 1039N 0.85 0.80 0.13 0.81 5.08 -1.37 0.12 114.58 121.00 1wc5 h GLU 1039Ca 0.29 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1wc5 h GLU 1039Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1wc5 h GLU 1039CO -0.09 1.03 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.97 1wc5 h TYR 1040N 0.58 -0.16 -0.08 4.33 3.20 -0.41 -1.62 116.97 122.81 1wc5 h TYR 1040Ca 0.06 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 1wc5 h TYR 1040Cb 0.85 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 1wc5 h TYR 1040CO 0.07 -0.03 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.26 1wc5 h LEU 1041N -0.25 0.13 -0.22 2.82 3.38 -0.12 0.24 115.31 121.29 1wc5 h LEU 1041Ca -0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1wc5 h LEU 1041Cb 0.20 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1wc5 h LEU 1041CO 0.03 0.37 0.08 1.23 0.09 0.00 0.00 178.44 180.24 1wc5 h GLY 1042N 0.83 0.36 0.91 0.83 0.00 -0.43 -0.42 103.07 105.15 1wc5 h GLY 1042Ca 0.02 -0.20 -0.12 0.00 0.00 0.00 0.00 47.33 47.02 1wc5 h GLY 1042CO 0.03 0.19 -0.37 0.83 0.00 0.00 0.00 176.54 177.23 1wc5 h GLU 1043N 0.20 0.58 -0.68 4.80 4.39 -0.96 -2.07 114.58 120.84 1wc5 h GLU 1043Ca 0.07 -0.37 -0.04 0.00 0.34 0.00 0.00 59.36 59.36 1wc5 h GLU 1043Cb 0.20 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 1wc5 h GLU 1043CO -0.00 0.99 0.26 0.52 -1.16 0.00 0.00 179.01 179.61 1wc5 h MET 1044N 0.25 1.03 -0.82 2.33 2.86 -0.96 -2.01 114.93 117.61 1wc5 h MET 1044Ca 0.01 -0.19 -0.04 0.00 -2.06 0.00 0.00 59.70 57.42 1wc5 h MET 1044Cb 0.97 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 32.43 1wc5 h MET 1044CO 0.08 0.86 0.37 1.79 1.06 0.00 0.00 176.91 181.07 1wc5 h THR 1045N 0.97 1.26 -0.55 2.22 1.35 -1.06 -2.46 112.91 114.64 1wc5 h THR 1045Ca 0.23 -0.75 0.02 0.00 -0.55 0.00 0.00 66.41 65.36 1wc5 h THR 1045Cb 0.23 0.24 -0.04 0.00 -1.73 0.00 0.00 68.15 66.85 1wc5 h THR 1045CO -0.02 0.32 0.33 -0.09 -0.25 0.00 0.00 175.52 175.81 1wc5 h ARG 1046N 1.17 0.64 -0.80 4.72 2.43 -0.87 -2.01 114.38 119.66 1wc5 h ARG 1046Ca 0.28 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.39 1wc5 h ARG 1046Cb 0.15 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 1wc5 h ARG 1046CO -0.03 0.42 0.43 0.00 -1.51 0.00 0.00 179.97 179.28 1wc5 h ALA 1047N 1.24 1.25 0.15 2.80 0.00 -1.05 -1.09 119.26 122.56 1wc5 h ALA 1047Ca 0.22 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1wc5 h ALA 1047Cb 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1wc5 h ALA 1047CO -0.10 0.61 -0.07 0.28 0.00 0.00 0.00 179.25 179.97 1wc5 h VAL 1048N 1.13 0.97 -0.08 0.00 2.07 -0.99 -3.03 116.25 116.31 1wc5 h VAL 1048Ca 0.28 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.30 1wc5 h VAL 1048Cb 0.04 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1wc5 h VAL 1048CO -0.04 0.13 -0.12 -0.26 0.02 0.00 0.00 177.57 177.29 1wc5 h PHE 1049N -0.46 -0.31 0.00 1.57 0.05 -1.20 -0.39 116.94 116.21 1wc5 h PHE 1049Ca -0.02 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1wc5 h PHE 1049Cb 0.36 0.15 0.00 0.00 2.00 0.00 0.00 35.95 38.46 1wc5 h PHE 1049CO 0.01 -0.18 0.17 0.93 -0.18 0.00 0.00 178.31 179.06 1wc5 h GLU 1050N -0.17 0.00 -0.40 1.51 5.08 -1.24 0.86 114.58 120.22 1wc5 h GLU 1050Ca 0.07 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 1wc5 h GLU 1050Cb 0.27 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 1wc5 h GLU 1050CO -0.18 0.00 0.05 0.09 -1.00 0.00 0.00 179.01 177.97 1wc5 n ASN 1051N -2.57 3.66 -0.79 1.42 3.02 -0.49 -4.94 115.26 114.58 1wc5 n ASN 1051Ca -0.02 -3.30 -0.10 0.00 -0.03 0.00 0.00 54.58 51.13 1wc5 n ASN 1051Cb 0.21 -0.62 -0.04 0.00 -0.61 0.00 0.00 39.78 38.72 1wc5 n ASN 1051CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wc5 n GLN 1052N -0.64 -1.24 -3.49 3.52 1.13 0.29 -4.82 117.38 112.13 1wc5 n GLN 1052Ca 0.30 0.82 -0.29 0.00 -1.94 0.00 0.00 57.00 55.88 1wc5 n GLN 1052Cb 1.05 -4.97 -0.04 0.00 0.11 0.00 0.00 30.24 26.40 1wc5 n GLN 1052CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1wc5 s GLY 1053N -2.54 1.93 -0.12 1.08 0.00 -0.28 -4.93 107.32 102.46 1wc5 s GLY 1053Ca 0.00 -0.61 -0.06 0.00 0.00 0.00 0.00 44.72 44.04 1wc5 s GLY 1053CO 0.00 -0.52 0.12 -0.51 0.00 0.00 0.00 173.10 172.18 1wc5 s THR 1054N -1.94 5.30 -0.49 0.90 -4.23 -0.92 -3.92 115.64 110.34 1wc5 s THR 1054Ca 0.42 0.13 -0.23 0.00 -1.18 0.00 0.00 61.69 60.84 1wc5 s THR 1054Cb -0.11 -3.30 0.04 0.00 1.34 0.00 0.00 72.50 70.46 1wc5 s THR 1054CO 0.28 0.61 0.80 -0.69 -0.54 0.00 0.00 174.62 175.08 1wc5 s VAL 1055N -0.93 4.62 0.06 2.29 1.01 -1.26 -1.26 120.40 124.93 1wc5 s VAL 1055Ca 0.14 0.22 -0.29 0.00 0.00 0.00 0.00 61.98 62.05 1wc5 s VAL 1055Cb -0.12 -4.38 -0.18 0.00 0.00 0.00 0.00 36.38 31.71 1wc5 s VAL 1055CO 0.03 -0.84 1.59 -0.78 0.00 0.00 0.00 175.10 175.10 1wc5 h ASP 1056N 9.08 -0.50 -5.81 3.32 1.82 -0.68 -3.48 116.42 120.17 1wc5 h ASP 1056Ca -0.26 -0.02 0.34 0.00 -0.39 0.00 0.00 57.03 56.71 1wc5 h ASP 1056Cb 1.08 0.13 -0.11 0.00 0.68 0.00 0.00 39.33 41.12 1wc5 h ASP 1056CO 0.99 -0.31 0.86 -1.59 -1.61 0.00 0.00 179.24 177.59 1wc5 s LYS 1057N -5.85 0.37 -0.10 0.28 -2.85 -1.18 -4.97 119.74 105.44 1wc5 s LYS 1057Ca -0.16 -0.21 -0.01 0.00 -1.00 0.00 0.00 55.97 54.59 1wc5 s LYS 1057Cb 0.04 0.12 -0.03 0.00 -2.06 0.00 0.00 37.83 35.90 1wc5 s LYS 1057CO 0.62 -0.17 -0.05 -0.06 0.10 0.00 0.00 175.35 175.79 1wc5 s PHE 1058N -2.27 3.00 -0.58 1.78 2.99 -1.26 -1.18 117.98 120.45 1wc5 s PHE 1058Ca 0.18 -0.06 0.04 0.00 0.00 0.00 0.00 56.93 57.09 1wc5 s PHE 1058Cb 0.04 -1.80 0.16 0.00 0.00 0.00 0.00 43.02 41.41 1wc5 s PHE 1058CO -0.03 0.23 0.38 0.08 -0.00 0.00 0.00 175.22 175.88 1wc5 s VAL 1059N -0.45 2.24 0.00 -0.44 1.01 0.79 -4.97 120.40 118.58 1wc5 s VAL 1059Ca 0.07 -3.57 0.00 0.00 0.00 0.00 0.00 61.98 58.48 1wc5 s VAL 1059Cb -0.12 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.75 1wc5 s VAL 1059CO 0.02 -0.97 0.00 0.61 0.00 0.00 0.00 175.10 174.76 1wc5 n GLY 1060N 2.59 2.75 1.40 4.51 0.00 -1.26 -2.18 105.19 112.99 1wc5 n GLY 1060Ca 0.16 -0.27 0.06 0.00 0.00 0.00 0.00 46.02 45.97 1wc5 n GLY 1060CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wc5 n ASP 1061N 8.21 4.08 -4.49 1.61 5.75 -1.26 -4.90 116.55 125.55 1wc5 n ASP 1061Ca 0.00 -2.53 -0.31 0.00 -0.01 0.00 0.00 54.79 51.94 1wc5 n ASP 1061Cb 0.00 -0.58 -0.12 0.00 -1.03 0.00 0.00 41.12 39.39 1wc5 n ASP 1061CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wc5 s ALA 1062N -2.07 2.70 -0.04 2.12 0.00 -0.93 -2.93 121.76 120.62 1wc5 s ALA 1062Ca 0.38 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 51.18 1wc5 s ALA 1062Cb 0.28 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 1wc5 s ALA 1062CO 0.14 0.59 -0.06 0.42 0.00 0.00 0.00 175.76 176.85 1wc5 s ILE 1063N -0.97 3.74 -0.19 0.00 1.09 -0.60 -0.15 121.20 124.11 1wc5 s ILE 1063Ca 0.16 -0.60 0.00 0.00 -1.10 0.00 0.00 60.65 59.12 1wc5 s ILE 1063Cb -0.11 -2.58 0.02 0.00 -1.06 0.00 0.00 42.46 38.73 1wc5 s ILE 1063CO 0.07 0.50 -0.17 -0.32 -0.10 0.00 0.00 174.94 174.92 1wc5 s MET 1064N -1.11 2.99 -0.02 2.79 1.75 -0.32 -2.38 119.30 123.00 1wc5 s MET 1064Ca 0.15 -0.84 0.08 0.00 -1.25 0.00 0.00 55.69 53.83 1wc5 s MET 1064Cb -0.11 -2.67 -0.02 0.00 2.84 0.00 0.00 34.83 34.87 1wc5 s MET 1064CO 0.04 -0.24 -0.25 0.00 -0.65 0.00 0.00 175.02 173.92 1wc5 s ALA 1065N 1.31 2.12 0.15 4.11 0.00 -0.21 0.10 121.76 129.33 1wc5 s ALA 1065Ca 0.04 -1.09 0.07 0.00 0.00 0.00 0.00 51.96 50.98 1wc5 s ALA 1065Cb -0.14 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 1wc5 s ALA 1065CO -0.11 0.51 -0.05 -0.51 0.00 0.00 0.00 175.76 175.60 1wc5 s LEU 1066N -0.56 3.17 -0.20 0.00 1.43 -0.39 -1.29 118.68 120.83 1wc5 s LEU 1066Ca 0.09 -0.42 -0.04 0.00 -1.03 0.00 0.00 54.13 52.72 1wc5 s LEU 1066Cb -0.10 -1.87 0.07 0.00 0.03 0.00 0.00 46.19 44.32 1wc5 s LEU 1066CO -0.01 0.12 0.09 -0.31 0.23 0.00 0.00 176.35 176.48 1wc5 s TYR 1067N -1.55 0.41 0.00 0.29 1.51 -0.52 -2.17 117.35 115.32 1wc5 s TYR 1067Ca 0.25 -0.57 0.00 0.00 -1.01 0.00 0.00 57.07 55.74 1wc5 s TYR 1067Cb -0.10 -0.82 0.00 0.00 -0.11 0.00 0.00 41.96 40.93 1wc5 s TYR 1067CO 0.16 -0.60 0.00 0.41 -1.11 0.00 0.00 175.55 174.41 1wc5 n GLY 1068N 5.22 0.94 3.30 0.71 0.00 -1.25 -0.97 105.19 113.14 1wc5 n GLY 1068Ca -0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 1wc5 n GLY 1068CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wc5 s ALA 1069N -1.38 -1.04 -0.01 4.61 0.00 -1.26 -4.27 121.76 118.41 1wc5 s ALA 1069Ca 0.00 1.30 0.20 0.00 0.00 0.00 0.00 51.96 53.46 1wc5 s ALA 1069Cb 0.00 -0.77 0.55 0.00 0.00 0.00 0.00 23.12 22.91 1wc5 s ALA 1069CO 0.00 -0.22 1.67 -1.00 0.00 0.00 0.00 175.76 176.21 1wc5 h PRO 1070N 5.99 0.00 -6.46 0.00 0.13 -1.99 -3.45 132.00 126.22 1wc5 h PRO 1070Ca -0.30 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.30 1wc5 h PRO 1070Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.33 1wc5 h PRO 1070CO 0.26 0.32 0.84 -1.21 -0.23 0.00 0.00 178.00 177.98 1wc5 s GLU 1071N -3.37 4.27 0.25 0.86 0.41 -1.26 -4.97 118.70 114.89 1wc5 s GLU 1071Ca 0.02 2.11 -0.30 0.00 -0.41 0.00 0.00 54.97 56.39 1wc5 s GLU 1071Cb 0.09 -3.45 -0.10 0.00 -1.78 0.00 0.00 34.13 28.89 1wc5 s GLU 1071CO 0.68 -0.57 1.45 -2.00 -0.49 0.00 0.00 175.26 174.33 1wc5 s GLU 1072N 1.96 4.26 -0.12 1.61 2.12 -1.26 -3.93 118.70 123.33 1wc5 s GLU 1072Ca 0.67 2.31 -0.10 0.00 0.36 0.00 0.00 54.97 58.21 1wc5 s GLU 1072Cb -0.36 -3.11 0.03 0.00 0.26 0.00 0.00 34.13 30.96 1wc5 s GLU 1072CO 0.29 -0.43 0.31 1.41 -0.54 0.00 0.00 175.26 176.30 1wc5 s MET 1073N -0.33 0.35 0.65 4.30 1.75 -1.26 -4.97 119.30 119.79 1wc5 s MET 1073Ca 0.60 0.47 -0.17 0.00 -1.25 0.00 0.00 55.69 55.33 1wc5 s MET 1073Cb -0.42 0.13 -0.01 0.00 2.84 0.00 0.00 34.83 37.37 1wc5 s MET 1073CO 0.43 -0.06 1.18 -1.54 -0.65 0.00 0.00 175.02 174.38 1wc5 s SER 1074N 0.37 4.88 0.27 1.11 1.04 -1.26 -4.79 113.70 115.32 1wc5 s SER 1074Ca -0.02 2.29 -0.00 0.00 0.48 0.00 0.00 55.95 58.70 1wc5 s SER 1074Cb -0.03 -2.59 0.49 0.00 0.10 0.00 0.00 66.02 63.99 1wc5 s SER 1074CO -0.02 -1.80 1.85 -0.65 0.98 0.00 0.00 173.24 173.60 1wc5 h PRO 1075N 0.35 1.01 -0.19 4.02 0.11 -1.99 -0.24 132.00 135.07 1wc5 h PRO 1075Ca -0.49 -0.06 -0.19 0.00 0.11 0.00 0.00 66.00 65.37 1wc5 h PRO 1075Cb 1.29 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1wc5 h PRO 1075CO 0.53 0.67 -0.65 0.66 -0.21 0.00 0.00 178.00 179.00 1wc5 h SER 1076N 1.04 0.81 -0.63 -2.05 4.64 -2.00 -2.99 113.55 112.36 1wc5 h SER 1076Ca 0.47 -0.48 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 1wc5 h SER 1076Cb 0.38 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.21 1wc5 h SER 1076CO -0.24 1.25 0.11 -0.33 -0.87 0.00 0.00 176.83 176.75 1wc5 h GLU 1077N 0.51 1.05 -0.06 4.77 4.39 -1.81 -0.13 114.58 123.29 1wc5 h GLU 1077Ca -0.02 -0.28 0.04 0.00 0.34 0.00 0.00 59.36 59.45 1wc5 h GLU 1077Cb 1.24 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.72 1wc5 h GLU 1077CO 0.13 0.97 -0.27 1.96 -1.16 0.00 0.00 179.01 180.64 1wc5 h GLN 1078N 0.96 -0.36 -0.64 2.33 4.20 -1.03 0.02 115.11 120.59 1wc5 h GLN 1078Ca 0.19 0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.86 1wc5 h GLN 1078Cb 0.42 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 1wc5 h GLN 1078CO 0.01 -0.24 0.12 0.28 -0.67 0.00 0.00 178.83 178.33 1wc5 h VAL 1079N -0.37 1.26 -0.34 -0.54 2.07 -1.37 0.58 116.25 117.54 1wc5 h VAL 1079Ca 0.08 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 1wc5 h VAL 1079Cb 0.49 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1wc5 h VAL 1079CO -0.28 0.37 0.18 -0.09 0.02 0.00 0.00 177.57 177.77 1wc5 h ARG 1080N 0.98 0.48 -0.32 1.57 2.43 -0.56 -1.86 114.38 117.08 1wc5 h ARG 1080Ca 0.20 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.19 1wc5 h ARG 1080Cb 0.40 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1wc5 h ARG 1080CO 0.01 0.41 -0.27 0.00 -1.51 0.00 0.00 179.97 178.61 1wc5 h ARG 1081N 0.42 0.75 -0.61 0.20 3.08 -0.72 -1.33 114.38 116.17 1wc5 h ARG 1081Ca 0.12 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 59.76 1wc5 h ARG 1081Cb 0.08 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1wc5 h ARG 1081CO -0.02 1.00 0.27 0.00 -1.07 0.00 0.00 179.97 180.16 1wc5 h ALA 1082N 0.74 0.79 -0.26 0.04 0.00 -0.84 0.20 119.26 119.92 1wc5 h ALA 1082Ca 0.06 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1wc5 h ALA 1082Cb 0.84 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1wc5 h ALA 1082CO 0.07 0.37 -0.42 0.82 0.00 0.00 0.00 179.25 180.09 1wc5 h ILE 1083N 0.84 1.30 -0.58 0.00 2.04 -1.33 -1.63 117.51 118.15 1wc5 h ILE 1083Ca 0.21 -1.59 -0.07 0.00 1.00 0.00 0.00 64.86 64.41 1wc5 h ILE 1083Cb 0.15 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1wc5 h ILE 1083CO -0.02 0.51 0.09 0.00 0.00 0.00 0.00 178.15 178.72 1wc5 h ALA 1084N 1.04 0.77 -0.00 1.87 0.00 -0.81 -1.36 119.26 120.77 1wc5 h ALA 1084Ca 0.04 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1wc5 h ALA 1084Cb 0.93 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1wc5 h ALA 1084CO 0.08 0.52 0.00 1.15 0.00 0.00 0.00 179.25 181.00 1wc5 h THR 1085N 0.86 1.04 -0.70 0.00 2.02 -0.41 -0.65 112.91 115.07 1wc5 h THR 1085Ca 0.17 -0.13 0.06 0.00 0.77 0.00 0.00 66.41 67.29 1wc5 h THR 1085Cb 0.43 1.13 -0.06 0.00 -1.74 0.00 0.00 68.15 67.91 1wc5 h THR 1085CO 0.01 0.03 0.39 0.00 0.37 0.00 0.00 175.52 176.32 1wc5 h ALA 1086N 0.95 0.94 -0.67 6.16 0.00 -1.10 -0.35 119.26 125.18 1wc5 h ALA 1086Ca 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1wc5 h ALA 1086Cb 0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1wc5 h ALA 1086CO -0.00 0.06 0.15 0.00 0.00 0.00 0.00 179.25 179.46 1wc5 h ARG 1087N 0.71 1.08 0.00 0.00 3.08 -1.02 -2.58 114.38 115.66 1wc5 h ARG 1087Ca 0.32 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 1wc5 h ARG 1087Cb 0.21 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1wc5 h ARG 1087CO -0.19 0.98 -0.24 0.37 -1.07 0.00 0.00 179.97 179.82 1wc5 h GLN 1088N 1.01 0.00 -0.41 0.04 4.15 -0.53 -2.30 115.11 117.07 1wc5 h GLN 1088Ca 0.21 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.52 1wc5 h GLN 1088Cb 0.39 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 1wc5 h GLN 1088CO 0.01 0.24 -0.16 0.52 -1.93 0.00 0.00 178.83 177.50 1wc5 h MET 1089N 0.00 0.83 -0.53 1.69 2.86 -0.69 -1.39 114.93 117.70 1wc5 h MET 1089Ca -0.00 -0.35 -0.11 0.00 -2.06 0.00 0.00 59.70 57.18 1wc5 h MET 1089Cb 0.63 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 1wc5 h MET 1089CO 0.03 0.98 -0.10 -0.07 1.06 0.00 0.00 176.91 178.81 1wc5 h LEU 1090N 0.65 1.01 -0.43 1.22 3.38 -1.21 0.55 115.31 120.47 1wc5 h LEU 1090Ca 0.10 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1wc5 h LEU 1090Cb 0.71 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1wc5 h LEU 1090CO 0.05 1.12 0.26 0.58 0.09 0.00 0.00 178.44 180.54 1wc5 h VAL 1091N 0.87 1.14 0.00 1.22 2.07 -1.35 -2.12 116.25 118.08 1wc5 h VAL 1091Ca 0.14 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 1wc5 h VAL 1091Cb 0.67 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1wc5 h VAL 1091CO 0.05 0.14 -0.29 0.00 0.02 0.00 0.00 177.57 177.49 1wc5 h ALA 1092N 1.12 1.50 -0.43 1.67 0.00 -1.04 -3.05 119.26 119.02 1wc5 h ALA 1092Ca 0.16 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1wc5 h ALA 1092Cb -0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1wc5 h ALA 1092CO -0.03 0.36 0.05 1.25 0.00 0.00 0.00 179.25 180.88 1wc5 h LEU 1093N 0.00 0.70 -0.42 0.00 5.85 -0.22 -1.34 115.31 119.89 1wc5 h LEU 1093Ca -0.00 -0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.50 1wc5 h LEU 1093Cb 0.52 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1wc5 h LEU 1093CO 0.04 0.80 0.14 -0.08 -0.34 0.00 0.00 178.44 178.99 1wc5 h GLU 1094N 0.58 0.28 -0.89 1.25 4.81 -1.37 0.65 114.58 119.90 1wc5 h GLU 1094Ca 0.13 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1wc5 h GLU 1094Cb 0.40 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.67 1wc5 h GLU 1094CO 0.01 0.19 0.58 -0.22 -0.73 0.00 0.00 179.01 178.84 1wc5 h LYS 1095N 0.29 1.11 -0.63 1.92 3.64 -1.51 -1.76 116.57 119.63 1wc5 h LYS 1095Ca 0.20 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 1wc5 h LYS 1095Cb 0.20 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1wc5 h LYS 1095CO -0.22 0.74 0.09 -0.07 -2.27 0.00 0.00 179.45 177.72 1wc5 h LEU 1096N 1.15 0.99 -0.64 5.20 3.38 -0.15 -2.44 115.31 122.81 1wc5 h LEU 1096Ca 0.34 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 1wc5 h LEU 1096Cb -0.05 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1wc5 h LEU 1096CO -0.10 0.99 0.02 0.78 0.09 0.00 0.00 178.44 180.22 1wc5 h ASN 1097N 0.97 1.06 0.23 -0.43 2.35 -0.32 0.42 115.58 119.86 1wc5 h ASN 1097Ca 0.19 -0.29 0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1wc5 h ASN 1097Cb 0.43 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.48 1wc5 h ASN 1097CO 0.01 1.10 -0.43 1.56 -1.65 0.00 0.00 177.43 178.02 1wc5 h GLN 1098N 1.00 -0.71 -0.27 0.81 4.20 -1.13 0.37 115.11 119.38 1wc5 h GLN 1098Ca 0.18 0.05 0.06 0.00 0.06 0.00 0.00 58.65 59.00 1wc5 h GLN 1098Cb 0.54 0.16 -0.06 0.00 0.30 0.00 0.00 27.48 28.42 1wc5 h GLN 1098CO 0.03 -0.47 -0.15 0.78 -0.67 0.00 0.00 178.83 178.35 1wc5 h GLY 1099N -0.74 0.06 1.79 3.46 0.00 -1.19 -0.46 103.07 105.99 1wc5 h GLY 1099Ca -0.00 0.19 -0.08 0.00 0.00 0.00 0.00 47.33 47.43 1wc5 h GLY 1099CO -0.19 -0.16 -0.29 1.49 0.00 0.00 0.00 176.54 177.39 1wc5 h TRP 1100N -0.12 0.28 -0.22 5.60 6.55 -0.62 -2.38 115.95 125.04 1wc5 h TRP 1100Ca 0.14 -0.06 -0.18 0.00 0.95 0.00 0.00 58.89 59.75 1wc5 h TRP 1100Cb 0.34 -0.07 -0.00 0.00 -0.86 0.00 0.00 29.16 28.57 1wc5 h TRP 1100CO -0.33 0.52 -0.59 0.37 -1.05 0.00 0.00 178.44 177.36 1wc5 h GLN 1101N 0.22 0.73 0.00 0.49 4.15 0.35 0.28 115.11 121.32 1wc5 h GLN 1101Ca 0.03 -0.48 -0.05 0.00 0.77 0.00 0.00 58.65 58.92 1wc5 h GLN 1101Cb 0.63 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.38 1wc5 h GLN 1101CO 0.05 1.11 -0.23 1.49 -1.93 0.00 0.00 178.83 179.31 1wc5 h GLU 1102N 0.55 0.00 -0.02 1.69 4.22 -1.00 -2.46 114.58 117.56 1wc5 h GLU 1102Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1wc5 h GLU 1102Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1wc5 h GLU 1102CO 0.12 0.23 -0.08 0.54 -2.18 0.00 0.00 179.01 177.64 1wc5 n ARG 1103N -3.38 1.83 0.00 1.92 1.74 -0.91 -4.97 116.66 112.90 1wc5 n ARG 1103Ca 0.00 -1.36 0.00 0.00 -0.77 0.00 0.00 57.85 55.72 1wc5 n ARG 1103Cb 0.44 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 1wc5 n ARG 1103CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wc5 n GLY 1104N 1.30 2.46 0.39 -0.13 0.00 -0.09 -4.91 105.19 104.20 1wc5 n GLY 1104Ca 0.15 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.37 1wc5 n GLY 1104CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wc5 h LEU 1105N 0.00 0.05 -8.27 0.99 3.38 -0.82 -3.41 115.31 107.22 1wc5 h LEU 1105Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 1wc5 h LEU 1105Cb 0.00 -0.01 -0.16 0.00 0.09 0.00 0.00 40.66 40.58 1wc5 h LEU 1105CO 0.00 0.02 -0.69 0.68 0.09 0.00 0.00 178.44 178.54 1wc5 s VAL 1106N -5.06 0.40 0.00 1.22 -7.23 -1.14 -4.85 120.40 103.74 1wc5 s VAL 1106Ca -0.05 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 1wc5 s VAL 1106Cb 0.20 -1.34 0.00 0.00 0.56 0.00 0.00 36.38 35.80 1wc5 s VAL 1106CO 0.74 -0.84 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 1wc5 n GLY 1107N 0.37 0.55 3.35 2.32 0.00 0.39 -4.14 105.19 108.02 1wc5 n GLY 1107Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 1wc5 n GLY 1107CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wc5 s ARG 1108N -0.84 1.15 -1.46 1.61 1.70 -1.21 -4.87 118.95 115.04 1wc5 s ARG 1108Ca 0.00 -1.08 -0.02 0.00 -0.47 0.00 0.00 55.73 54.16 1wc5 s ARG 1108Cb 0.00 0.40 0.00 0.00 -0.57 0.00 0.00 34.95 34.78 1wc5 s ARG 1108CO 0.00 -0.43 0.20 -1.71 -1.08 0.00 0.00 175.30 172.29 1wc5 n ASN 1109N -0.22 -5.33 0.00 -2.89 2.85 -1.26 -1.79 115.26 106.62 1wc5 n ASN 1109Ca -0.09 -0.11 0.00 0.00 -0.11 0.00 0.00 54.58 54.27 1wc5 n ASN 1109Cb 0.63 -4.31 0.00 0.00 1.24 0.00 0.00 39.78 37.34 1wc5 n ASN 1109CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1wc5 n GLU 1110N -3.05 -0.57 -2.93 1.20 4.71 -1.26 -4.91 120.64 113.83 1wc5 n GLU 1110Ca -0.17 0.14 -0.42 0.00 -0.01 0.00 0.00 57.16 56.71 1wc5 n GLU 1110Cb 0.64 -3.89 -0.05 0.00 -1.01 0.00 0.00 31.44 27.13 1wc5 n GLU 1110CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1wc5 s VAL 1111N -1.86 4.80 0.47 2.62 1.01 -0.74 -4.99 120.40 121.71 1wc5 s VAL 1111Ca 0.00 1.26 -0.09 0.00 0.00 0.00 0.00 61.98 63.15 1wc5 s VAL 1111Cb 0.00 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 1wc5 s VAL 1111CO 0.00 -0.22 0.82 -2.16 0.00 0.00 0.00 175.10 173.54 1wc5 s PRO 1112N 2.95 3.68 0.48 2.72 0.04 -1.26 0.15 135.00 143.75 1wc5 s PRO 1112Ca 0.33 0.43 -0.22 0.00 0.04 0.00 0.00 61.00 61.58 1wc5 s PRO 1112Cb -0.14 -2.33 -0.09 0.00 0.04 0.00 0.00 34.50 31.98 1wc5 s PRO 1112CO 0.12 -0.18 0.98 -0.35 0.04 0.00 0.00 177.00 177.60 1wc5 n PRO 1113N -1.87 1.21 -1.83 0.56 -0.04 -1.26 -4.60 135.00 127.17 1wc5 n PRO 1113Ca 0.02 0.44 -0.37 0.00 -0.04 0.00 0.00 63.50 63.55 1wc5 n PRO 1113Cb 0.54 -2.07 0.05 0.00 -0.04 0.00 0.00 33.50 31.99 1wc5 n PRO 1113CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1wc5 s VAL 1114N -1.37 2.20 0.07 0.52 1.01 -1.26 -5.05 120.40 116.53 1wc5 s VAL 1114Ca 0.67 0.13 -0.05 0.00 0.00 0.00 0.00 61.98 62.73 1wc5 s VAL 1114Cb -0.51 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 1wc5 s VAL 1114CO 0.54 -0.02 0.08 -0.13 0.00 0.00 0.00 175.10 175.57 1wc5 s ARG 1115N -3.26 0.74 0.02 2.72 0.52 -1.26 -5.01 118.95 113.42 1wc5 s ARG 1115Ca 0.79 -1.10 -0.08 0.00 -0.52 0.00 0.00 55.73 54.82 1wc5 s ARG 1115Cb -0.36 0.28 -0.00 0.00 0.52 0.00 0.00 34.95 35.38 1wc5 s ARG 1115CO 0.40 -0.19 0.15 -0.59 0.02 0.00 0.00 175.30 175.08 1wc5 s PHE 1116N -3.90 0.08 -0.04 -0.53 -0.12 -1.26 -0.26 117.98 111.96 1wc5 s PHE 1116Ca 0.07 -0.26 -0.05 0.00 -0.05 0.00 0.00 56.93 56.64 1wc5 s PHE 1116Cb 0.06 -0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.35 1wc5 s PHE 1116CO -0.10 -0.35 0.18 1.03 -0.05 0.00 0.00 175.22 175.93 1wc5 s ARG 1117N -2.07 3.46 -0.02 1.99 0.52 0.43 -0.33 118.95 122.93 1wc5 s ARG 1117Ca -0.09 -0.23 -0.00 0.00 -0.52 0.00 0.00 55.73 54.89 1wc5 s ARG 1117Cb -0.04 -3.12 0.03 0.00 0.52 0.00 0.00 34.95 32.33 1wc5 s ARG 1117CO -0.02 0.70 0.04 0.00 0.02 0.00 0.00 175.30 176.05 1wc5 s GLY 1119N 0.94 0.77 -0.02 0.00 0.00 0.26 -0.61 107.32 108.66 1wc5 s GLY 1119Ca -0.08 -0.67 0.03 0.00 0.00 0.00 0.00 44.72 44.00 1wc5 s GLY 1119CO -0.03 -0.55 -0.10 -0.42 0.00 0.00 0.00 173.10 172.01 1wc5 s ILE 1120N -0.34 0.82 -0.01 0.90 1.01 -0.12 -0.98 121.20 122.48 1wc5 s ILE 1120Ca 0.05 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.26 1wc5 s ILE 1120Cb -0.06 -0.71 -0.00 0.00 0.01 0.00 0.00 42.46 41.70 1wc5 s ILE 1120CO -0.00 0.24 0.06 -2.28 0.00 0.00 0.00 174.94 172.96 1wc5 s HIS 1121N -0.04 0.05 -0.14 3.97 2.46 -0.15 -2.48 115.29 118.96 1wc5 s HIS 1121Ca 0.01 -0.09 0.01 0.00 0.47 0.00 0.00 55.06 55.46 1wc5 s HIS 1121Cb -0.06 -0.05 0.00 0.00 -0.13 0.00 0.00 32.58 32.33 1wc5 s HIS 1121CO 0.00 -0.14 -0.18 -1.14 -2.47 0.00 0.00 174.74 170.81 1wc5 s GLN 1122N -0.74 3.16 0.10 2.88 0.74 -1.26 0.32 119.66 124.86 1wc5 s GLN 1122Ca -0.08 -0.79 -0.23 0.00 0.05 0.00 0.00 55.36 54.32 1wc5 s GLN 1122Cb -0.05 -2.54 0.08 0.00 1.10 0.00 0.00 33.01 31.60 1wc5 s GLN 1122CO 0.00 0.04 1.05 0.41 -0.55 0.00 0.00 175.29 176.24 1wc5 n GLY 1123N 3.97 0.49 3.76 2.59 0.00 -0.72 -4.80 105.19 110.49 1wc5 n GLY 1123Ca -0.19 -1.10 -0.40 0.00 0.00 0.00 0.00 46.02 44.33 1wc5 n GLY 1123CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wc5 s MET 1124N -2.04 4.68 0.09 1.61 -1.94 -1.26 -1.98 119.30 118.46 1wc5 s MET 1124Ca 0.24 1.29 -0.13 0.00 -1.71 0.00 0.00 55.69 55.38 1wc5 s MET 1124Cb -0.02 -3.29 0.02 0.00 2.01 0.00 0.00 34.83 33.56 1wc5 s MET 1124CO 0.03 0.50 0.31 0.00 -0.01 0.00 0.00 175.02 175.86 1wc5 s ALA 1125N -0.98 -0.66 -0.20 3.03 0.00 -0.84 -4.09 121.76 118.02 1wc5 s ALA 1125Ca 0.39 -0.18 -0.16 0.00 0.00 0.00 0.00 51.96 52.00 1wc5 s ALA 1125Cb -0.24 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 1wc5 s ALA 1125CO 0.28 -0.53 0.40 0.08 0.00 0.00 0.00 175.76 175.99 1wc5 s VAL 1126N -3.43 5.20 -0.03 0.00 1.01 -0.49 -1.67 120.40 120.99 1wc5 s VAL 1126Ca 0.01 0.72 0.06 0.00 0.00 0.00 0.00 61.98 62.77 1wc5 s VAL 1126Cb 0.02 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 1wc5 s VAL 1126CO -0.09 0.26 -0.21 0.68 0.00 0.00 0.00 175.10 175.74 1wc5 s VAL 1127N 1.25 1.65 -4.96 2.92 -7.23 -0.65 -0.57 120.40 112.80 1wc5 s VAL 1127Ca 0.19 -0.87 0.00 0.00 -1.81 0.00 0.00 61.98 59.49 1wc5 s VAL 1127Cb -0.15 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.41 1wc5 s VAL 1127CO 0.08 0.47 0.00 0.61 -0.31 0.00 0.00 175.10 175.95 1wc5 n GLY 1128N 2.77 -0.64 3.72 2.32 0.00 -1.03 -2.53 105.19 109.79 1wc5 n GLY 1128Ca -0.16 -1.14 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 1wc5 n GLY 1128CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wc5 s LEU 1129N 0.00 4.38 -0.02 0.99 1.43 -1.26 -2.04 118.68 122.15 1wc5 s LEU 1129Ca 0.00 1.47 0.03 0.00 -1.03 0.00 0.00 54.13 54.60 1wc5 s LEU 1129Cb 0.00 -3.35 -0.00 0.00 0.03 0.00 0.00 46.19 42.87 1wc5 s LEU 1129CO 0.00 -0.15 -0.10 -0.36 0.23 0.00 0.00 176.35 175.98 1wc5 s PHE 1130N 0.67 0.96 -3.85 0.29 0.40 -1.04 -4.81 117.98 110.59 1wc5 s PHE 1130Ca 0.44 -0.22 0.00 0.00 -0.60 0.00 0.00 56.93 56.55 1wc5 s PHE 1130Cb -0.20 -0.66 0.00 0.00 0.51 0.00 0.00 43.02 42.67 1wc5 s PHE 1130CO 0.24 -0.07 0.00 0.41 0.70 0.00 0.00 175.22 176.50 1wc5 n GLY 1131N 3.10 0.84 2.29 4.36 0.00 -1.26 -2.31 105.19 112.20 1wc5 n GLY 1131Ca -0.16 -1.99 -0.16 0.00 0.00 0.00 0.00 46.02 43.71 1wc5 n GLY 1131CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wc5 n SER 1132N 1.48 0.35 0.31 1.61 3.41 0.58 -4.89 113.62 116.46 1wc5 n SER 1132Ca 0.00 -1.44 -0.12 0.00 -0.26 0.00 0.00 58.87 57.05 1wc5 n SER 1132Cb 0.00 -0.52 -0.06 0.00 -0.26 0.00 0.00 64.21 63.38 1wc5 n SER 1132CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1wc5 h GLN 1133N 0.00 -0.76 0.02 4.33 5.75 -2.01 -3.31 115.11 119.13 1wc5 h GLN 1133Ca -0.23 0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.33 1wc5 h GLN 1133Cb 0.71 0.17 -0.04 0.00 1.07 0.00 0.00 27.48 29.39 1wc5 h GLN 1133CO 0.19 -0.50 -0.42 1.05 -2.65 0.00 0.00 178.83 176.50 1wc5 h GLU 1134N -0.85 -0.52 -4.86 1.69 9.09 -2.04 -3.38 114.58 113.72 1wc5 h GLU 1134Ca -0.08 0.04 -0.67 0.00 0.05 0.00 0.00 59.36 58.69 1wc5 h GLU 1134Cb 0.60 0.12 -0.18 0.00 -1.65 0.00 0.00 28.75 27.64 1wc5 h GLU 1134CO 0.13 -0.35 -0.32 0.50 0.05 0.00 0.00 179.01 179.03 1wc5 s ARG 1135N -5.12 3.42 -0.19 1.06 6.06 -1.25 -5.03 118.95 117.90 1wc5 s ARG 1135Ca -0.12 -0.56 -0.07 0.00 -2.50 0.00 0.00 55.73 52.47 1wc5 s ARG 1135Cb 0.05 -3.85 0.08 0.00 0.06 0.00 0.00 34.95 31.30 1wc5 s ARG 1135CO 0.47 -0.59 0.41 -1.54 -2.50 0.00 0.00 175.30 171.55 1wc5 s SER 1136N 1.74 -0.25 0.03 -2.12 1.04 -1.25 -0.31 113.70 112.58 1wc5 s SER 1136Ca 0.10 0.95 0.09 0.00 0.48 0.00 0.00 55.95 57.56 1wc5 s SER 1136Cb -0.17 1.21 -0.03 0.00 0.10 0.00 0.00 66.02 67.13 1wc5 s SER 1136CO 0.12 -0.23 -0.25 -1.81 0.98 0.00 0.00 173.24 172.05 1wc5 s ASP 1137N 2.40 2.98 0.23 7.02 1.01 -0.98 -4.85 116.67 124.49 1wc5 s ASP 1137Ca -0.03 -0.54 -0.30 0.00 0.71 0.00 0.00 52.55 52.40 1wc5 s ASP 1137Cb -0.11 -0.29 -0.09 0.00 1.01 0.00 0.00 42.92 43.44 1wc5 s ASP 1137CO -0.12 0.26 1.26 0.12 0.21 0.00 0.00 175.17 176.89 1wc5 s PHE 1138N -0.74 3.30 0.17 4.23 5.36 -1.26 -2.51 117.98 126.53 1wc5 s PHE 1138Ca 0.10 1.35 -0.18 0.00 -0.96 0.00 0.00 56.93 57.24 1wc5 s PHE 1138Cb -0.10 -3.54 0.06 0.00 -0.34 0.00 0.00 43.02 39.11 1wc5 s PHE 1138CO 0.01 -1.58 0.88 -2.37 -1.46 0.00 0.00 175.22 170.70 1wc5 n THR 1139N 2.14 0.00 -4.56 0.12 5.66 -0.87 -4.95 114.28 111.82 1wc5 n THR 1139Ca 0.04 -0.52 -0.30 0.00 -3.05 0.00 0.00 64.05 60.22 1wc5 n THR 1139Cb 0.43 0.69 -0.12 0.00 -1.55 0.00 0.00 70.33 69.77 1wc5 n THR 1139CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wc5 s ALA 1140N -1.90 2.62 -0.03 1.79 0.00 -1.26 -2.45 121.76 120.52 1wc5 s ALA 1140Ca 0.19 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 50.93 1wc5 s ALA 1140Cb -0.03 -0.71 0.01 0.00 0.00 0.00 0.00 23.12 22.39 1wc5 s ALA 1140CO 0.05 0.58 -0.05 0.42 0.00 0.00 0.00 175.76 176.76 1wc5 s ILE 1141N -0.98 0.55 0.00 0.00 -1.09 0.26 -4.94 121.20 115.00 1wc5 s ILE 1141Ca 0.15 -0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.40 1wc5 s ILE 1141Cb -0.11 -0.54 0.00 0.00 -1.58 0.00 0.00 42.46 40.24 1wc5 s ILE 1141CO 0.07 0.21 0.00 0.61 -1.23 0.00 0.00 174.94 174.59 1wc5 n GLY 1142N 3.71 1.74 0.39 6.18 0.00 -1.26 -1.40 105.19 114.55 1wc5 n GLY 1142Ca -0.22 -1.78 0.17 0.00 0.00 0.00 0.00 46.02 44.19 1wc5 n GLY 1142CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1wc5 h PRO 1143N 0.00 0.50 -0.36 1.61 0.11 -2.01 -2.48 132.00 129.37 1wc5 h PRO 1143Ca 0.00 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 1wc5 h PRO 1143Cb 0.00 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 30.98 1wc5 h PRO 1143CO 0.00 0.33 0.18 0.77 -0.21 0.00 0.00 178.00 179.07 1wc5 h SER 1144N 0.52 0.47 -0.25 -2.05 0.02 -1.92 -1.72 113.55 108.62 1wc5 h SER 1144Ca 0.51 -0.12 0.04 0.00 -0.84 0.00 0.00 61.79 61.38 1wc5 h SER 1144Cb 1.11 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.49 1wc5 h SER 1144CO -0.24 0.46 -0.01 0.58 -1.14 0.00 0.00 176.83 176.48 1wc5 h VAL 1145N 0.45 0.80 -0.79 2.27 2.07 -1.75 -0.73 116.25 118.58 1wc5 h VAL 1145Ca 0.13 -0.02 0.11 0.00 0.82 0.00 0.00 66.70 67.73 1wc5 h VAL 1145Cb 0.11 0.74 -0.08 0.00 -1.52 0.00 0.00 31.29 30.54 1wc5 h VAL 1145CO -0.02 0.01 0.41 -1.13 0.02 0.00 0.00 177.57 176.87 1wc5 h ASN 1146N 0.06 0.54 -0.47 0.57 -0.00 -1.40 0.90 115.58 115.79 1wc5 h ASN 1146Ca 0.12 0.07 -0.02 0.00 -0.00 0.00 0.00 56.30 56.46 1wc5 h ASN 1146Cb 0.16 -0.03 -0.02 0.00 -0.00 0.00 0.00 38.32 38.43 1wc5 h ASN 1146CO -0.22 0.29 0.21 0.40 -0.00 0.00 0.00 177.43 178.11 1wc5 h ILE 1147N 0.66 1.20 -0.25 2.57 2.04 -0.53 -0.49 117.51 122.71 1wc5 h ILE 1147Ca 0.40 -0.60 0.03 0.00 1.00 0.00 0.00 64.86 65.69 1wc5 h ILE 1147Cb 0.45 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 1wc5 h ILE 1147CO -0.29 0.23 0.09 0.00 0.00 0.00 0.00 178.15 178.17 1wc5 h ALA 1148N 1.05 0.28 -0.16 1.87 0.00 0.38 -1.31 119.26 121.36 1wc5 h ALA 1148Ca 0.16 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1wc5 h ALA 1148Cb 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1wc5 h ALA 1148CO -0.02 -0.33 0.10 0.00 0.00 0.00 0.00 179.25 179.01 1wc5 h ALA 1149N 1.16 0.21 -0.39 0.00 0.00 -0.64 -2.92 119.26 116.67 1wc5 h ALA 1149Ca 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1wc5 h ALA 1149Cb 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1wc5 h ALA 1149CO -0.11 -0.29 0.05 0.00 0.00 0.00 0.00 179.25 178.90 1wc5 h ARG 1150N 0.21 0.60 -0.85 0.00 2.47 -0.83 -2.45 114.38 113.52 1wc5 h ARG 1150Ca 0.06 -0.12 -0.01 0.00 -1.26 0.00 0.00 59.98 58.65 1wc5 h ARG 1150Cb 0.00 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.19 1wc5 h ARG 1150CO -0.01 0.58 0.48 -0.07 0.56 0.00 0.00 179.97 181.51 1wc5 h LEU 1151N 0.58 1.05 -0.48 3.04 3.38 -1.09 -0.83 115.31 120.95 1wc5 h LEU 1151Ca 0.13 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1wc5 h LEU 1151Cb 0.28 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1wc5 h LEU 1151CO 0.00 0.83 0.23 -0.61 0.09 0.00 0.00 178.44 178.99 1wc5 h GLN 1152N 1.18 0.70 -0.06 1.13 -0.00 -1.27 -1.97 115.11 114.81 1wc5 h GLN 1152Ca 0.30 -0.10 -0.10 0.00 -0.00 0.00 0.00 58.65 58.75 1wc5 h GLN 1152Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 27.48 27.34 1wc5 h GLN 1152CO -0.05 0.59 -0.41 0.93 0.00 0.00 0.00 178.83 179.88 1wc5 h GLU 1153N 0.64 0.13 0.00 1.69 5.08 -1.12 -3.13 114.58 117.87 1wc5 h GLU 1153Ca 0.17 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1wc5 h GLU 1153Cb 0.12 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1wc5 h GLU 1153CO -0.02 0.52 -0.14 0.00 -1.00 0.00 0.00 179.01 178.37 1wc5 h ALA 1154N 1.47 0.92 -2.28 3.43 0.00 -0.78 -3.47 119.26 118.56 1wc5 h ALA 1154Ca 0.01 -0.13 -0.49 0.00 0.00 0.00 0.00 54.91 54.30 1wc5 h ALA 1154Cb 0.78 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.58 1wc5 h ALA 1154CO 0.06 0.18 0.35 -0.08 0.00 0.00 0.00 179.25 179.75 1wc5 s THR 1155N -3.22 4.66 0.80 0.00 -1.32 -0.78 -5.06 115.64 110.72 1wc5 s THR 1155Ca 0.05 0.94 -0.11 0.00 -1.21 0.00 0.00 61.69 61.37 1wc5 s THR 1155Cb 0.06 -3.79 0.07 0.00 -1.51 0.00 0.00 72.50 67.34 1wc5 s THR 1155CO 0.67 -0.87 1.09 0.00 -2.21 0.00 0.00 174.62 173.31 1wc5 s ALA 1156N -2.83 2.09 0.43 11.08 0.00 -1.26 -4.93 121.76 126.35 1wc5 s ALA 1156Ca 0.56 0.19 -0.26 0.00 0.00 0.00 0.00 51.96 52.44 1wc5 s ALA 1156Cb -0.10 -3.25 -0.09 0.00 0.00 0.00 0.00 23.12 19.68 1wc5 s ALA 1156CO 0.41 -1.90 1.41 -2.14 0.00 0.00 0.00 175.76 173.54 1wc5 s PRO 1157N -4.91 3.79 -2.00 0.00 0.02 -1.26 -2.17 135.00 128.47 1wc5 s PRO 1157Ca 0.62 2.39 0.00 0.00 0.02 0.00 0.00 61.00 64.03 1wc5 s PRO 1157Cb -0.17 -2.72 0.00 0.00 0.02 0.00 0.00 34.50 31.63 1wc5 s PRO 1157CO 0.56 -0.72 0.00 0.09 -0.33 0.00 0.00 177.00 176.60 1wc5 n ASN 1158N -0.05 -5.29 -4.61 2.53 5.03 0.56 -4.92 115.26 108.52 1wc5 n ASN 1158Ca 0.04 0.47 -0.23 0.00 0.87 0.00 0.00 54.58 55.73 1wc5 n ASN 1158Cb 0.42 -4.44 -0.08 0.00 -1.02 0.00 0.00 39.78 34.66 1wc5 n ASN 1158CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1wc5 s SER 1159N -2.80 4.33 -0.25 6.41 1.04 -0.92 -4.98 113.70 116.54 1wc5 s SER 1159Ca 0.00 -0.74 0.01 0.00 0.48 0.00 0.00 55.95 55.70 1wc5 s SER 1159Cb 0.00 -0.72 0.04 0.00 0.10 0.00 0.00 66.02 65.45 1wc5 s SER 1159CO 0.00 -0.00 -0.10 -0.63 0.98 0.00 0.00 173.24 173.49 1wc5 s ILE 1160N -2.37 2.45 -0.16 -1.02 1.01 -1.26 -2.71 121.20 117.14 1wc5 s ILE 1160Ca 0.31 -1.31 -0.05 0.00 0.00 0.00 0.00 60.65 59.61 1wc5 s ILE 1160Cb -0.06 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 1wc5 s ILE 1160CO 0.19 0.13 -0.01 -0.32 0.00 0.00 0.00 174.94 174.93 1wc5 s MET 1161N 1.22 3.74 0.14 2.79 1.75 0.22 -1.34 119.30 127.81 1wc5 s MET 1161Ca -0.03 -0.46 0.05 0.00 -1.25 0.00 0.00 55.69 54.00 1wc5 s MET 1161Cb -0.18 -3.00 -0.04 0.00 2.84 0.00 0.00 34.83 34.45 1wc5 s MET 1161CO -0.06 0.27 -0.12 0.14 -0.65 0.00 0.00 175.02 174.61 1wc5 s VAL 1162N 0.30 1.29 0.69 10.11 -7.23 0.50 -0.95 120.40 125.11 1wc5 s VAL 1162Ca -0.01 -1.94 -0.11 0.00 -1.81 0.00 0.00 61.98 58.10 1wc5 s VAL 1162Cb -0.13 -1.74 0.00 0.00 0.56 0.00 0.00 36.38 35.07 1wc5 s VAL 1162CO 0.02 -0.61 1.07 -0.94 -0.31 0.00 0.00 175.10 174.34 1wc5 s SER 1163N -2.91 5.59 0.33 4.85 1.04 -1.04 0.17 113.70 121.73 1wc5 s SER 1163Ca 0.14 1.29 0.01 0.00 0.48 0.00 0.00 55.95 57.87 1wc5 s SER 1163Cb -0.01 -2.16 0.58 0.00 0.10 0.00 0.00 66.02 64.53 1wc5 s SER 1163CO 0.02 -1.27 1.98 0.00 0.98 0.00 0.00 173.24 174.95 1wc5 h ALA 1164N -0.60 1.52 -0.71 5.32 0.00 -1.47 -0.06 119.26 123.26 1wc5 h ALA 1164Ca -0.45 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 54.54 1wc5 h ALA 1164Cb 1.23 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1wc5 h ALA 1164CO 0.62 0.42 0.47 0.52 0.00 0.00 0.00 179.25 181.28 1wc5 h MET 1165N 0.95 0.45 0.02 0.00 2.86 -1.89 -1.79 114.93 115.52 1wc5 h MET 1165Ca 0.29 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.79 1wc5 h MET 1165Cb -0.02 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 1wc5 h MET 1165CO -0.07 0.30 -0.56 0.28 1.06 0.00 0.00 176.91 177.92 1wc5 h VAL 1166N 0.46 1.45 -0.36 -2.22 2.07 -1.38 -3.35 116.25 112.91 1wc5 h VAL 1166Ca 0.34 -2.32 0.11 0.00 0.82 0.00 0.00 66.70 65.65 1wc5 h VAL 1166Cb 0.68 2.97 -0.01 0.00 -1.52 0.00 0.00 31.29 33.41 1wc5 h VAL 1166CO -0.11 0.53 0.49 0.00 0.02 0.00 0.00 177.57 178.50 1wc5 h ALA 1167N -0.15 2.02 0.00 1.67 0.00 -0.69 -1.57 119.26 120.54 1wc5 h ALA 1167Ca -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1wc5 h ALA 1167Cb 1.20 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1wc5 h ALA 1167CO -0.05 -0.68 0.00 -0.56 0.00 0.00 0.00 179.25 177.97 1wc5 h GLN 1168N 0.00 0.00 -0.30 0.00 3.07 -1.48 0.22 115.11 116.62 1wc5 h GLN 1168Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.91 1wc5 h GLN 1168Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.71 1wc5 h GLN 1168CO -0.00 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.58 1wc5 n TYR 1169N -2.60 0.38 -4.05 0.06 4.02 -0.59 -4.91 117.16 109.46 1wc5 n TYR 1169Ca -0.02 -0.21 -0.35 0.00 -0.01 0.00 0.00 57.90 57.32 1wc5 n TYR 1169Cb 0.08 -0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.29 1wc5 n TYR 1169CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1wc5 s VAL 1170N -1.48 4.60 0.58 -0.72 1.01 0.78 -4.99 120.40 120.18 1wc5 s VAL 1170Ca 0.34 -0.10 -0.19 0.00 0.00 0.00 0.00 61.98 62.03 1wc5 s VAL 1170Cb 0.20 -3.07 -0.06 0.00 0.00 0.00 0.00 36.38 33.45 1wc5 s VAL 1170CO 0.29 0.45 0.95 -2.65 0.00 0.00 0.00 175.10 174.14 1wc5 n PRO 1171N 3.67 0.94 0.06 2.72 -0.02 -1.26 -4.88 135.00 136.24 1wc5 n PRO 1171Ca -0.17 0.36 0.01 0.00 -2.02 0.00 0.00 63.50 61.69 1wc5 n PRO 1171Cb 0.52 -2.13 0.35 0.00 -0.02 0.00 0.00 33.50 32.22 1wc5 n PRO 1171CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1wc5 h ASP 1172N 0.61 0.35 0.04 2.55 3.32 -1.96 -2.06 116.42 119.27 1wc5 h ASP 1172Ca -0.48 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.50 1wc5 h ASP 1172Cb 1.36 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1wc5 h ASP 1172CO 0.51 0.47 0.00 -1.84 -1.72 0.00 0.00 179.24 176.66 1wc5 n GLU 1173N -4.28 0.02 -0.04 3.56 0.00 -1.26 -1.08 120.64 117.57 1wc5 n GLU 1173Ca 0.00 0.50 0.08 0.00 0.00 0.00 0.00 57.16 57.74 1wc5 n GLU 1173Cb 0.26 -1.57 0.09 0.00 0.00 0.00 0.00 31.44 30.22 1wc5 n GLU 1173CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1wc5 n GLU 1174N -1.61 1.41 -3.06 3.44 1.02 -0.77 -4.87 120.64 116.19 1wc5 n GLU 1174Ca 0.00 -1.55 -0.44 0.00 -0.02 0.00 0.00 57.16 55.15 1wc5 n GLU 1174Cb 0.02 -1.31 -0.05 0.00 -0.02 0.00 0.00 31.44 30.08 1wc5 n GLU 1174CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1wc5 s ILE 1175N -1.25 4.71 0.00 -3.67 -1.09 -0.24 0.62 121.20 120.29 1wc5 s ILE 1175Ca 0.20 -0.57 -0.25 0.00 -2.23 0.00 0.00 60.65 57.80 1wc5 s ILE 1175Cb 0.14 -4.45 -0.18 0.00 -1.58 0.00 0.00 42.46 36.38 1wc5 s ILE 1175CO 0.20 -1.06 1.31 0.40 -1.23 0.00 0.00 174.94 174.56 1wc5 h ILE 1176N 5.92 1.07 -3.26 2.92 2.04 -1.04 -3.47 117.51 121.70 1wc5 h ILE 1176Ca -0.28 -0.79 -0.14 0.00 1.00 0.00 0.00 64.86 64.65 1wc5 h ILE 1176Cb 1.09 1.57 -0.22 0.00 -0.74 0.00 0.00 36.82 38.51 1wc5 h ILE 1176CO 1.06 0.19 -0.41 -0.75 0.00 0.00 0.00 178.15 178.24 1wc5 s LYS 1177N -4.65 0.49 0.02 2.37 2.20 -1.15 -4.99 119.74 114.02 1wc5 s LYS 1177Ca -0.15 -0.13 0.08 0.00 -0.36 0.00 0.00 55.97 55.41 1wc5 s LYS 1177Cb 0.02 0.21 -0.03 0.00 -1.51 0.00 0.00 37.83 36.53 1wc5 s LYS 1177CO 0.62 -0.11 -0.22 1.03 -0.36 0.00 0.00 175.35 176.31 1wc5 s ARG 1178N -0.94 2.05 -0.28 4.03 0.52 -1.26 -1.16 118.95 121.91 1wc5 s ARG 1178Ca -0.10 -0.98 -0.21 0.00 -0.52 0.00 0.00 55.73 53.92 1wc5 s ARG 1178Cb -0.05 -2.11 0.08 0.00 0.52 0.00 0.00 34.95 33.39 1wc5 s ARG 1178CO 0.02 0.55 0.75 -2.00 0.02 0.00 0.00 175.30 174.64 1wc5 s GLU 1179N -1.10 0.74 -0.52 3.54 2.12 -0.79 -5.01 118.70 117.69 1wc5 s GLU 1179Ca 0.12 1.02 -0.22 0.00 0.36 0.00 0.00 54.97 56.25 1wc5 s GLU 1179Cb -0.10 0.28 0.05 0.00 0.26 0.00 0.00 34.13 34.62 1wc5 s GLU 1179CO 0.02 -0.11 0.78 0.12 -0.54 0.00 0.00 175.26 175.53 1wc5 s PHE 1180N 0.84 2.93 0.20 5.30 5.36 -1.26 -1.18 117.98 130.18 1wc5 s PHE 1180Ca -0.04 -0.21 0.07 0.00 -0.96 0.00 0.00 56.93 55.79 1wc5 s PHE 1180Cb -0.05 -3.77 -0.04 0.00 -0.34 0.00 0.00 43.02 38.82 1wc5 s PHE 1180CO -0.08 -1.16 0.10 -0.51 -1.46 0.00 0.00 175.22 172.11 1wc5 s LEU 1181N 3.28 3.59 -0.29 6.12 1.43 -0.46 -4.91 118.68 127.45 1wc5 s LEU 1181Ca 0.24 -0.30 -0.07 0.00 -1.03 0.00 0.00 54.13 52.96 1wc5 s LEU 1181Cb -0.15 -2.18 0.01 0.00 0.03 0.00 0.00 46.19 43.89 1wc5 s LEU 1181CO 0.17 0.04 0.08 -1.61 0.23 0.00 0.00 176.35 175.25 1wc5 s GLU 1182N -3.34 3.11 -0.08 1.70 2.02 -1.26 -0.96 118.70 119.89 1wc5 s GLU 1182Ca 0.31 -0.84 -0.01 0.00 0.02 0.00 0.00 54.97 54.44 1wc5 s GLU 1182Cb -0.09 -3.38 -0.03 0.00 0.10 0.00 0.00 34.13 30.73 1wc5 s GLU 1182CO 0.22 -0.44 -0.01 -0.51 0.02 0.00 0.00 175.26 174.54 1wc5 s LEU 1183N 1.51 3.48 0.77 1.80 1.43 -1.26 -5.05 118.68 121.35 1wc5 s LEU 1183Ca 0.03 0.10 -0.15 0.00 -1.03 0.00 0.00 54.13 53.08 1wc5 s LEU 1183Cb -0.17 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 1wc5 s LEU 1183CO 0.03 0.37 0.63 1.17 0.23 0.00 0.00 176.35 178.78 1wc5 n LYS 1184N 2.15 0.23 -0.80 1.70 4.81 -1.26 -1.55 118.16 123.44 1wc5 n LYS 1184Ca -0.18 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 1wc5 n LYS 1184Cb 0.53 -1.94 0.00 0.00 0.02 0.00 0.00 35.03 33.65 1wc5 n LYS 1184CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wc5 n GLY 1185N 1.46 0.06 2.78 3.14 0.00 -1.26 -4.89 105.19 106.47 1wc5 n GLY 1185Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1wc5 n GLY 1185CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wc5 s ILE 1186N -1.14 0.76 0.22 -0.61 1.01 -0.60 -4.99 121.20 115.85 1wc5 s ILE 1186Ca 0.00 -0.76 -0.03 0.00 0.00 0.00 0.00 60.65 59.86 1wc5 s ILE 1186Cb 0.00 -1.24 0.01 0.00 0.01 0.00 0.00 42.46 41.24 1wc5 s ILE 1186CO 0.00 -0.22 1.61 0.44 0.00 0.00 0.00 174.94 176.77 1wc5 h ASP 1187N 8.17 0.68 -3.70 3.58 3.32 -1.90 -3.38 116.42 123.18 1wc5 h ASP 1187Ca -0.16 -0.27 -0.50 0.00 0.02 0.00 0.00 57.03 56.11 1wc5 h ASP 1187Cb 1.10 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 1wc5 h ASP 1187CO 0.36 0.95 0.36 -0.70 -1.72 0.00 0.00 179.24 178.50 1wc5 s GLU 1188N -4.41 4.80 0.60 3.56 2.56 -1.26 -5.00 118.70 119.55 1wc5 s GLU 1188Ca -0.08 1.51 -0.15 0.00 0.00 0.00 0.00 54.97 56.24 1wc5 s GLU 1188Cb 0.13 -3.30 -0.03 0.00 2.00 0.00 0.00 34.13 32.93 1wc5 s GLU 1188CO 0.83 0.41 1.06 -2.14 -0.56 0.00 0.00 175.26 174.86 1wc5 s PRO 1189N -0.87 3.27 -0.03 4.30 0.02 -1.26 -4.64 135.00 135.79 1wc5 s PRO 1189Ca 0.43 1.21 0.06 0.00 0.02 0.00 0.00 61.00 62.72 1wc5 s PRO 1189Cb -0.26 -2.02 -0.01 0.00 0.02 0.00 0.00 34.50 32.23 1wc5 s PRO 1189CO 0.32 -0.85 -0.20 0.08 -0.33 0.00 0.00 177.00 176.01 1wc5 s VAL 1190N -2.46 1.65 -0.36 3.83 1.01 -0.14 -4.96 120.40 118.97 1wc5 s VAL 1190Ca 0.64 -0.87 -0.25 0.00 0.00 0.00 0.00 61.98 61.49 1wc5 s VAL 1190Cb -0.16 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.84 1wc5 s VAL 1190CO 0.38 0.47 0.89 -0.32 0.00 0.00 0.00 175.10 176.52 1wc5 s MET 1191N -0.28 3.86 0.22 2.72 1.75 -1.26 -1.35 119.30 124.95 1wc5 s MET 1191Ca 0.02 0.57 0.07 0.00 -1.25 0.00 0.00 55.69 55.10 1wc5 s MET 1191Cb -0.10 -3.79 -0.04 0.00 2.84 0.00 0.00 34.83 33.74 1wc5 s MET 1191CO 0.01 -0.89 0.11 0.95 -0.65 0.00 0.00 175.02 174.54 1wc5 s THR 1192N 3.36 4.13 -0.06 10.11 -4.23 -0.33 -1.13 115.64 127.50 1wc5 s THR 1192Ca 0.37 -1.42 -0.02 0.00 -1.18 0.00 0.00 61.69 59.44 1wc5 s THR 1192Cb -0.12 -3.17 0.04 0.00 1.34 0.00 0.00 72.50 70.59 1wc5 s THR 1192CO 0.17 -0.24 0.12 0.00 -0.54 0.00 0.00 174.62 174.12 1wc5 s VAL 1194N 1.55 5.06 0.19 0.00 1.01 -0.31 -0.37 120.40 127.54 1wc5 s VAL 1194Ca -0.04 1.07 0.02 0.00 0.00 0.00 0.00 61.98 63.03 1wc5 s VAL 1194Cb -0.12 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1wc5 s VAL 1194CO -0.05 0.14 0.35 0.27 0.00 0.00 0.00 175.10 175.81 1wc5 s ILE 1195N 1.81 5.26 0.24 2.22 -4.36 -0.45 -0.42 121.20 125.50 1wc5 s ILE 1195Ca 0.26 -0.62 -0.31 0.00 -0.26 0.00 0.00 60.65 59.72 1wc5 s ILE 1195Cb -0.16 -3.77 -0.12 0.00 1.25 0.00 0.00 42.46 39.67 1wc5 s ILE 1195CO 0.10 -0.19 1.68 0.21 0.24 0.00 0.00 174.94 176.98 1wc5 s ASN 1196N -3.39 6.37 0.00 4.36 3.84 0.20 -4.46 114.94 121.85 1wc5 s ASN 1196Ca 0.36 2.91 0.13 0.00 0.21 0.00 0.00 52.86 56.47 1wc5 s ASN 1196Cb -0.11 -2.61 0.77 0.00 -0.55 0.00 0.00 41.25 38.75 1wc5 s ASN 1196CO 0.29 -0.96 1.25 -0.81 -2.79 0.00 0.00 177.10 174.08 1wc5 n PRO 1197N 3.33 0.64 -3.93 0.43 -0.04 -1.26 -4.59 135.00 129.57 1wc5 n PRO 1197Ca 0.13 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.44 1wc5 n PRO 1197Cb 0.36 -1.31 -0.15 0.00 -0.04 0.00 0.00 33.50 32.35 1wc5 n PRO 1197CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1wc5 s ASN 1198N -1.76 0.31 0.00 3.54 0.01 -1.26 -4.82 114.94 110.96 1wc5 s ASN 1198Ca 0.19 -0.02 0.10 0.00 -0.71 0.00 0.00 52.86 52.42 1wc5 s ASN 1198Cb 0.09 -0.13 0.59 0.00 0.41 0.00 0.00 41.25 42.20 1wc5 s ASN 1198CO 0.15 -0.06 1.03 0.80 -1.51 0.00 0.00 177.10 177.51