#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bs4 s VAL 1002N 0.00 5.09 0.22 0.44 1.01 -1.26 -4.49 120.40 121.41 1bs4 s VAL 1002Ca 0.00 0.98 -0.02 0.00 0.00 0.00 0.00 61.98 62.94 1bs4 s VAL 1002Cb 0.00 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 1bs4 s VAL 1002CO 0.00 0.17 0.43 -0.76 0.00 0.00 0.00 175.10 174.94 1bs4 s LEU 1003N 1.69 4.19 0.07 3.92 1.43 -1.26 -5.03 118.68 123.69 1bs4 s LEU 1003Ca 0.25 0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 53.56 1bs4 s LEU 1003Cb -0.15 -3.29 -0.05 0.00 0.03 0.00 0.00 46.19 42.73 1bs4 s LEU 1003CO 0.10 -0.07 1.05 -1.58 0.23 0.00 0.00 176.35 176.07 1bs4 s GLN 1004N -3.28 4.57 -0.21 1.70 0.74 -1.26 -4.93 119.66 117.00 1bs4 s GLN 1004Ca 0.40 1.56 -0.17 0.00 0.05 0.00 0.00 55.36 57.20 1bs4 s GLN 1004Cb -0.11 -3.38 -0.03 0.00 1.10 0.00 0.00 33.01 30.58 1bs4 s GLN 1004CO 0.28 -0.01 0.48 0.08 -0.55 0.00 0.00 175.29 175.57 1bs4 s VAL 1005N 0.54 5.13 0.40 1.34 1.01 -1.26 -4.48 120.40 123.09 1bs4 s VAL 1005Ca 0.52 0.86 -0.26 0.00 0.00 0.00 0.00 61.98 63.09 1bs4 s VAL 1005Cb -0.25 -3.80 -0.09 0.00 0.00 0.00 0.00 36.38 32.24 1bs4 s VAL 1005CO 0.30 0.19 1.33 -0.76 0.00 0.00 0.00 175.10 176.16 1bs4 s LEU 1006N 1.61 4.22 0.08 3.92 1.43 0.42 -4.96 118.68 125.40 1bs4 s LEU 1006Ca 0.22 2.72 0.06 0.00 -1.03 0.00 0.00 54.13 56.10 1bs4 s LEU 1006Cb -0.15 -3.87 -0.04 0.00 0.03 0.00 0.00 46.19 42.16 1bs4 s LEU 1006CO 0.09 -0.88 -0.07 -1.00 0.23 0.00 0.00 176.35 174.73 1bs4 s HIS 1007N -1.23 2.84 0.49 0.29 3.76 -1.26 -4.14 115.29 116.04 1bs4 s HIS 1007Ca 0.57 -0.10 -0.23 0.00 -0.15 0.00 0.00 55.06 55.15 1bs4 s HIS 1007Cb -0.40 -1.50 -0.08 0.00 1.11 0.00 0.00 32.58 31.72 1bs4 s HIS 1007CO 0.51 0.43 1.15 0.44 -0.85 0.00 0.00 174.74 176.42 1bs4 n ILE 1008N 0.86 3.04 -1.49 0.60 -5.35 -0.59 -1.18 119.36 115.26 1bs4 n ILE 1008Ca -0.13 -0.50 -0.33 0.00 -0.27 0.00 0.00 62.75 61.52 1bs4 n ILE 1008Cb 0.52 -1.39 0.04 0.00 -1.74 0.00 0.00 39.64 37.08 1bs4 n ILE 1008CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1bs4 n PRO 1009N -0.38 2.56 -1.78 6.28 -0.04 -1.26 -4.76 135.00 135.61 1bs4 n PRO 1009Ca 0.10 -3.02 -0.42 0.00 -0.04 0.00 0.00 63.50 60.11 1bs4 n PRO 1009Cb 0.42 -2.18 -0.03 0.00 -0.04 0.00 0.00 33.50 31.68 1bs4 n PRO 1009CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1bs4 s ASP 1010N -1.06 6.42 0.32 3.54 -1.08 -0.32 -4.90 116.67 119.59 1bs4 s ASP 1010Ca 0.56 2.82 0.10 0.00 -0.52 0.00 0.00 52.55 55.51 1bs4 s ASP 1010Cb 0.44 -2.60 0.52 0.00 -1.46 0.00 0.00 42.92 39.82 1bs4 s ASP 1010CO -0.17 -0.93 1.72 -0.08 0.52 0.00 0.00 175.17 176.22 1bs4 h GLU 1011N 6.59 0.05 0.00 4.34 4.22 -2.00 -2.58 114.58 125.20 1bs4 h GLU 1011Ca -0.43 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 58.98 1bs4 h GLU 1011Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1bs4 h GLU 1011CO 0.93 0.52 0.00 0.00 -2.18 0.00 0.00 179.01 178.28 1bs4 h ARG 1012N 0.04 0.00 0.00 1.92 -0.00 -1.96 -1.73 114.38 112.65 1bs4 h ARG 1012Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1bs4 h ARG 1012Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.83 1bs4 h ARG 1012CO 0.06 0.00 0.00 1.28 0.00 0.00 0.00 179.97 181.31 1bs4 n LEU 1013N -2.42 0.29 -0.98 3.04 4.32 -0.97 -2.91 117.00 117.37 1bs4 n LEU 1013Ca 0.00 0.57 0.09 0.00 -0.02 0.00 0.00 56.01 56.65 1bs4 n LEU 1013Cb 0.16 -0.52 0.20 0.00 -1.62 0.00 0.00 43.42 41.64 1bs4 n LEU 1013CO 0.17 -0.36 0.67 0.54 -1.22 0.00 0.00 177.39 177.19 1bs4 n ARG 1014N -1.81 2.44 -2.55 3.23 5.12 -0.65 -4.40 116.66 118.05 1bs4 n ARG 1014Ca 0.03 -2.19 -0.37 0.00 -1.93 0.00 0.00 57.85 53.40 1bs4 n ARG 1014Cb 0.21 -1.42 -0.04 0.00 -1.16 0.00 0.00 32.46 30.04 1bs4 n ARG 1014CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1bs4 s LYS 1015N -1.16 4.20 -0.23 5.56 1.02 -1.14 -4.49 119.74 123.50 1bs4 s LYS 1015Ca 0.34 1.52 -0.17 0.00 0.02 0.00 0.00 55.97 57.69 1bs4 s LYS 1015Cb 0.19 -2.58 -0.03 0.00 -0.52 0.00 0.00 37.83 34.88 1bs4 s LYS 1015CO 0.25 -0.11 0.44 0.08 -0.92 0.00 0.00 175.35 175.09 1bs4 s VAL 1016N -1.63 5.15 0.41 3.17 1.01 -1.26 -3.51 120.40 123.74 1bs4 s VAL 1016Ca 0.57 0.76 -0.24 0.00 0.00 0.00 0.00 61.98 63.07 1bs4 s VAL 1016Cb -0.22 -3.76 -0.08 0.00 0.00 0.00 0.00 36.38 32.31 1bs4 s VAL 1016CO 0.28 0.19 1.12 0.00 0.00 0.00 0.00 175.10 176.69 1bs4 s ALA 1017N 1.71 3.09 0.39 5.51 0.00 -0.02 -4.97 121.76 127.47 1bs4 s ALA 1017Ca 0.20 0.86 -0.17 0.00 0.00 0.00 0.00 51.96 52.85 1bs4 s ALA 1017Cb -0.15 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 1bs4 s ALA 1017CO 0.09 -0.45 0.85 0.15 0.00 0.00 0.00 175.76 176.40 1bs4 s LYS 1018N -2.45 4.05 0.54 0.00 3.01 -0.35 -4.74 119.74 119.80 1bs4 s LYS 1018Ca 0.59 0.84 -0.20 0.00 -1.01 0.00 0.00 55.97 56.19 1bs4 s LYS 1018Cb -0.27 -2.30 -0.05 0.00 -1.01 0.00 0.00 37.83 34.19 1bs4 s LYS 1018CO 0.34 0.01 1.17 -1.25 0.51 0.00 0.00 175.35 176.13 1bs4 s PRO 1019N -3.30 3.32 -0.01 -1.68 0.04 -1.26 -1.10 135.00 131.01 1bs4 s PRO 1019Ca 0.57 1.73 -0.30 0.00 0.04 0.00 0.00 61.00 63.04 1bs4 s PRO 1019Cb -0.10 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 1bs4 s PRO 1019CO 0.19 -0.90 1.34 0.08 0.04 0.00 0.00 177.00 177.75 1bs4 s VAL 1020N -1.66 3.85 0.14 -0.36 1.01 -1.26 -4.78 120.40 117.35 1bs4 s VAL 1020Ca 0.72 1.23 -0.10 0.00 0.00 0.00 0.00 61.98 63.83 1bs4 s VAL 1020Cb -0.27 -3.79 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 1bs4 s VAL 1020CO 0.31 0.00 1.45 -0.33 0.00 0.00 0.00 175.10 176.54 1bs4 h GLU 1021N 7.68 0.87 -1.89 2.72 5.08 -2.02 -3.46 114.58 123.57 1bs4 h GLU 1021Ca -0.37 -0.50 0.06 0.00 -1.00 0.00 0.00 59.36 57.55 1bs4 h GLU 1021Cb 1.18 0.04 -0.21 0.00 0.50 0.00 0.00 28.75 30.25 1bs4 h GLU 1021CO 0.89 1.15 0.01 -2.00 -1.00 0.00 0.00 179.01 178.06 1bs4 s GLU 1022N -4.25 0.60 -0.83 2.33 2.12 -1.26 -5.10 118.70 112.31 1bs4 s GLU 1022Ca -0.10 1.23 -0.24 0.00 0.36 0.00 0.00 54.97 56.21 1bs4 s GLU 1022Cb 0.11 0.43 0.05 0.00 0.26 0.00 0.00 34.13 34.98 1bs4 s GLU 1022CO 0.88 -0.16 1.27 0.08 -0.54 0.00 0.00 175.26 176.79 1bs4 s VAL 1023N 2.14 3.97 0.11 3.70 1.01 -1.26 -4.85 120.40 125.22 1bs4 s VAL 1023Ca -0.08 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1bs4 s VAL 1023Cb -0.08 -4.91 0.00 0.00 0.00 0.00 0.00 36.38 31.39 1bs4 s VAL 1023CO -0.19 -1.79 0.00 -0.46 0.00 0.00 0.00 175.10 172.66 1bs4 n ASN 1024N 8.71 2.28 0.24 3.32 0.23 -1.26 -4.80 115.26 123.99 1bs4 n ASN 1024Ca 0.13 -1.46 0.09 0.00 -0.53 0.00 0.00 54.58 52.80 1bs4 n ASN 1024Cb 0.49 0.07 0.61 0.00 -2.08 0.00 0.00 39.78 38.87 1bs4 n ASN 1024CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1bs4 h ALA 1025N 1.05 1.51 -0.38 -2.53 0.00 -1.98 -0.87 119.26 116.05 1bs4 h ALA 1025Ca -0.09 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1bs4 h ALA 1025Cb 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1bs4 h ALA 1025CO 0.15 0.19 0.01 1.49 0.00 0.00 0.00 179.25 181.09 1bs4 h GLU 1026N 0.00 0.66 -0.47 0.00 4.81 -1.96 -1.61 114.58 116.02 1bs4 h GLU 1026Ca -0.00 -0.21 -0.09 0.00 -0.13 0.00 0.00 59.36 58.93 1bs4 h GLU 1026Cb 0.32 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1bs4 h GLU 1026CO 0.02 0.76 -0.08 0.82 -0.73 0.00 0.00 179.01 179.79 1bs4 h ILE 1027N 0.49 1.26 0.00 2.32 1.08 -1.54 -2.35 117.51 118.77 1bs4 h ILE 1027Ca 0.11 -1.16 -0.10 0.00 -0.39 0.00 0.00 64.86 63.32 1bs4 h ILE 1027Cb 0.45 0.99 -0.01 0.00 -3.07 0.00 0.00 36.82 35.17 1bs4 h ILE 1027CO 0.02 0.40 -0.48 1.56 -0.69 0.00 0.00 178.15 178.96 1bs4 h GLN 1028N 0.76 0.00 -0.27 2.37 4.20 -1.10 -0.81 115.11 120.27 1bs4 h GLN 1028Ca 0.13 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.79 1bs4 h GLN 1028Cb 0.58 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1bs4 h GLN 1028CO 0.04 0.48 -0.04 -0.09 -0.67 0.00 0.00 178.83 178.55 1bs4 h ARG 1029N 0.00 0.50 -0.62 1.46 2.43 -1.08 -1.60 114.38 115.46 1bs4 h ARG 1029Ca -0.00 -0.18 0.04 0.00 -0.81 0.00 0.00 59.98 59.03 1bs4 h ARG 1029Cb 0.95 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.41 1bs4 h ARG 1029CO 0.06 0.69 0.36 0.82 -1.51 0.00 0.00 179.97 180.39 1bs4 h ILE 1030N 0.26 1.01 -0.51 1.20 2.04 -0.88 -0.17 117.51 120.47 1bs4 h ILE 1030Ca 0.07 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.70 1bs4 h ILE 1030Cb 0.49 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1bs4 h ILE 1030CO 0.02 0.12 0.34 0.58 0.00 0.00 0.00 178.15 179.21 1bs4 h VAL 1031N 0.68 1.13 -0.60 1.67 2.07 -1.05 0.61 116.25 120.76 1bs4 h VAL 1031Ca 0.27 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.46 1bs4 h VAL 1031Cb 0.11 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1bs4 h VAL 1031CO -0.14 0.13 0.02 0.44 0.02 0.00 0.00 177.57 178.04 1bs4 h ASP 1032N 0.69 1.02 -0.24 0.57 3.32 -0.71 -1.74 116.42 119.34 1bs4 h ASP 1032Ca 0.19 -0.30 -0.11 0.00 0.02 0.00 0.00 57.03 56.83 1bs4 h ASP 1032Cb -0.08 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.18 1bs4 h ASP 1032CO -0.04 1.06 -0.22 0.44 -1.72 0.00 0.00 179.24 178.76 1bs4 h ASP 1033N 0.94 0.71 -0.68 6.45 3.32 -0.72 -1.68 116.42 124.77 1bs4 h ASP 1033Ca 0.17 -0.25 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 1bs4 h ASP 1033Cb 0.53 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1bs4 h ASP 1033CO 0.03 0.92 0.15 0.24 -1.72 0.00 0.00 179.24 178.86 1bs4 h MET 1034N 0.62 1.10 -0.31 3.56 2.86 -0.50 -0.47 114.93 121.78 1bs4 h MET 1034Ca 0.09 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 1bs4 h MET 1034Cb 0.71 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 1bs4 h MET 1034CO 0.05 0.98 0.14 0.74 1.06 0.00 0.00 176.91 179.89 1bs4 h PHE 1035N 1.02 0.46 -0.98 -0.22 0.04 -1.18 -0.65 116.94 115.43 1bs4 h PHE 1035Ca 0.21 -0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.99 1bs4 h PHE 1035Cb 0.39 -0.14 -0.06 0.00 2.20 0.00 0.00 35.95 38.34 1bs4 h PHE 1035CO 0.03 0.42 0.64 1.49 -0.60 0.00 0.00 178.31 180.29 1bs4 h GLU 1036N 0.36 1.20 -0.17 1.51 4.81 -1.12 -0.79 114.58 120.38 1bs4 h GLU 1036Ca 0.11 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1bs4 h GLU 1036Cb 0.14 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 1bs4 h GLU 1036CO -0.01 0.80 -0.09 1.15 -0.73 0.00 0.00 179.01 180.13 1bs4 h THR 1037N 1.24 1.31 -0.48 0.32 2.02 -0.96 -1.62 112.91 114.73 1bs4 h THR 1037Ca 0.39 -1.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 1bs4 h THR 1037Cb 0.01 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 1bs4 h THR 1037CO -0.13 0.34 0.29 -0.03 0.37 0.00 0.00 175.52 176.36 1bs4 h MET 1038N 0.04 0.66 -0.35 6.66 1.85 -0.71 -0.53 114.93 122.55 1bs4 h MET 1038Ca 0.04 -0.06 -0.11 0.00 -0.61 0.00 0.00 59.70 58.96 1bs4 h MET 1038Cb 0.57 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.44 1bs4 h MET 1038CO 0.03 0.48 -0.22 1.88 -0.40 0.00 0.00 176.91 178.67 1bs4 h TYR 1039N 0.65 0.76 -0.44 1.39 0.05 -1.17 0.25 116.97 118.45 1bs4 h TYR 1039Ca 0.17 -0.17 -0.08 0.00 0.05 0.00 0.00 58.73 58.71 1bs4 h TYR 1039Cb -0.01 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.53 1bs4 h TYR 1039CO -0.03 0.84 -0.06 0.00 -1.05 0.00 0.00 178.16 177.86 1bs4 h ALA 1040N 1.16 1.06 -0.00 3.88 0.00 -0.88 -2.11 119.26 122.38 1bs4 h ALA 1040Ca 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1bs4 h ALA 1040Cb 0.70 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1bs4 h ALA 1040CO 0.05 0.58 -0.31 0.39 0.00 0.00 0.00 179.25 179.96 1bs4 n GLU 1041N -4.19 0.16 -3.17 0.00 -0.58 -0.24 -4.94 120.64 107.67 1bs4 n GLU 1041Ca 0.02 -0.07 -0.17 0.00 -0.42 0.00 0.00 57.16 56.52 1bs4 n GLU 1041Cb 0.33 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.75 1bs4 n GLU 1041CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1bs4 n GLU 1042N -1.36 -5.21 -2.74 3.49 1.02 -0.08 -5.03 120.64 110.73 1bs4 n GLU 1042Ca 0.08 0.62 -0.22 0.00 -0.02 0.00 0.00 57.16 57.61 1bs4 n GLU 1042Cb 0.33 -4.96 0.08 0.00 -0.02 0.00 0.00 31.44 26.87 1bs4 n GLU 1042CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1bs4 s GLY 1043N -3.12 1.77 0.00 0.62 0.00 -0.31 -5.02 107.32 101.26 1bs4 s GLY 1043Ca 0.37 -1.81 0.03 0.00 0.00 0.00 0.00 44.72 43.32 1bs4 s GLY 1043CO 0.46 -1.31 0.53 0.29 0.00 0.00 0.00 173.10 173.07 1bs4 n ILE 1044N -2.58 0.00 -3.54 0.90 -5.35 -1.26 -4.68 119.36 102.85 1bs4 n ILE 1044Ca 0.14 -0.49 -0.15 0.00 -0.27 0.00 0.00 62.75 61.99 1bs4 n ILE 1044Cb 0.61 1.06 -0.05 0.00 -1.74 0.00 0.00 39.64 39.51 1bs4 n ILE 1044CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1bs4 s GLY 1045N -0.43 -0.49 -0.22 3.28 0.00 -1.26 -1.59 107.32 106.61 1bs4 s GLY 1045Ca 0.03 0.78 -0.12 0.00 0.00 0.00 0.00 44.72 45.42 1bs4 s GLY 1045CO 0.05 0.47 0.52 -2.27 0.00 0.00 0.00 173.10 171.87 1bs4 s LEU 1046N -1.83 -0.46 0.12 0.66 2.96 -0.47 -4.85 118.68 114.81 1bs4 s LEU 1046Ca -0.06 1.15 0.01 0.00 -0.22 0.00 0.00 54.13 55.01 1bs4 s LEU 1046Cb -0.01 1.76 -0.04 0.00 0.50 0.00 0.00 46.19 48.41 1bs4 s LEU 1046CO 0.00 -0.21 0.26 0.00 -1.32 0.00 0.00 176.35 175.08 1bs4 s ALA 1047N 1.56 3.98 0.40 5.97 0.00 -1.26 -1.17 121.76 131.23 1bs4 s ALA 1047Ca -0.09 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 50.99 1bs4 s ALA 1047Cb -0.07 -1.82 0.83 0.00 0.00 0.00 0.00 23.12 22.06 1bs4 s ALA 1047CO -0.16 0.64 2.03 0.00 0.00 0.00 0.00 175.76 178.28 1bs4 h ALA 1048N 2.49 1.65 0.00 0.00 0.00 -1.39 -1.35 119.26 120.67 1bs4 h ALA 1048Ca -0.47 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1bs4 h ALA 1048Cb 1.18 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1bs4 h ALA 1048CO 0.71 0.29 0.00 0.00 0.00 0.00 0.00 179.25 180.26 1bs4 h THR 1049N 0.52 0.00 0.00 0.00 1.03 -1.71 -1.09 112.91 111.67 1bs4 h THR 1049Ca 0.14 -0.33 -0.04 0.00 -0.01 0.00 0.00 66.41 66.16 1bs4 h THR 1049Cb 0.01 1.21 -0.01 0.00 -1.07 0.00 0.00 68.15 68.30 1bs4 h THR 1049CO -0.02 0.00 -0.20 1.56 -0.01 0.00 0.00 175.52 176.84 1bs4 h GLN 1050N 0.00 0.00 -0.36 0.00 4.20 -1.54 -2.23 115.11 115.19 1bs4 h GLN 1050Ca 0.00 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 1bs4 h GLN 1050Cb 0.38 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 1bs4 h GLN 1050CO 0.00 0.20 0.03 1.33 -0.67 0.00 0.00 178.83 179.72 1bs4 n VAL 1051N -3.32 2.46 -2.83 -0.54 0.24 -0.67 -0.43 118.33 113.24 1bs4 n VAL 1051Ca 0.01 -2.00 -0.17 0.00 -2.04 0.00 0.00 64.34 60.14 1bs4 n VAL 1051Cb 0.45 -0.29 0.03 0.00 -1.47 0.00 0.00 33.84 32.56 1bs4 n VAL 1051CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1bs4 n ASP 1052N -0.54 -5.06 -4.09 -1.34 2.03 -0.84 -4.90 116.55 101.82 1bs4 n ASP 1052Ca 0.27 -0.22 -0.33 0.00 0.52 0.00 0.00 54.79 55.04 1bs4 n ASP 1052Cb 1.01 -3.91 -0.15 0.00 -0.72 0.00 0.00 41.12 37.35 1bs4 n ASP 1052CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1bs4 s ILE 1053N -3.02 2.30 -1.09 5.18 1.01 -0.50 -4.99 121.20 120.08 1bs4 s ILE 1053Ca 0.23 -1.57 -0.02 0.00 0.00 0.00 0.00 60.65 59.29 1bs4 s ILE 1053Cb -0.10 -2.33 0.26 0.00 0.01 0.00 0.00 42.46 40.30 1bs4 s ILE 1053CO 0.28 -0.02 2.00 1.41 0.00 0.00 0.00 174.94 178.61 1bs4 n HIS 1054N 4.47 2.71 -4.28 3.97 8.25 -1.26 -2.29 115.22 126.80 1bs4 n HIS 1054Ca -0.14 -2.61 -0.19 0.00 -0.26 0.00 0.00 57.72 54.52 1bs4 n HIS 1054Cb 0.43 -1.37 -0.11 0.00 1.12 0.00 0.00 29.99 30.06 1bs4 n HIS 1054CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1bs4 s GLN 1055N -3.46 1.12 -1.30 -0.41 -0.21 -1.26 -1.21 119.66 112.93 1bs4 s GLN 1055Ca 0.44 -1.32 -0.18 0.00 0.02 0.00 0.00 55.36 54.33 1bs4 s GLN 1055Cb 0.20 -1.04 0.03 0.00 1.00 0.00 0.00 33.01 33.21 1bs4 s GLN 1055CO -0.14 0.20 1.91 0.54 -2.12 0.00 0.00 175.29 175.68 1bs4 n ARG 1056N 0.38 2.85 -4.65 2.91 1.74 -0.26 -4.50 116.66 115.12 1bs4 n ARG 1056Ca -0.14 -2.93 -0.25 0.00 -0.77 0.00 0.00 57.85 53.76 1bs4 n ARG 1056Cb 0.57 -3.43 -0.16 0.00 -1.02 0.00 0.00 32.46 28.42 1bs4 n ARG 1056CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1bs4 s ILE 1057N 4.68 1.22 -0.02 0.55 1.01 -1.26 -1.10 121.20 126.28 1bs4 s ILE 1057Ca 0.54 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.67 1bs4 s ILE 1057Cb 0.07 -1.09 -0.00 0.00 0.01 0.00 0.00 42.46 41.45 1bs4 s ILE 1057CO 0.04 0.37 -0.10 -0.63 0.00 0.00 0.00 174.94 174.62 1bs4 s ILE 1058N 0.48 0.80 0.09 2.92 1.01 -0.15 -1.21 121.20 125.15 1bs4 s ILE 1058Ca -0.12 -0.40 0.09 0.00 0.00 0.00 0.00 60.65 60.23 1bs4 s ILE 1058Cb -0.14 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 1bs4 s ILE 1058CO 0.03 0.24 -0.22 0.68 0.00 0.00 0.00 174.94 175.67 1bs4 s VAL 1059N 0.00 2.53 -0.08 2.92 -7.23 -0.32 -0.88 120.40 117.34 1bs4 s VAL 1059Ca -0.00 -1.50 -0.10 0.00 -1.81 0.00 0.00 61.98 58.57 1bs4 s VAL 1059Cb -0.07 -2.10 0.02 0.00 0.56 0.00 0.00 36.38 34.80 1bs4 s VAL 1059CO 0.00 0.19 0.27 -0.63 -0.31 0.00 0.00 175.10 174.62 1bs4 s ILE 1060N -1.01 0.01 -0.19 -0.62 1.01 -0.15 -1.37 121.20 118.88 1bs4 s ILE 1060Ca 0.15 -0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.65 1bs4 s ILE 1060Cb -0.10 -0.41 0.08 0.00 0.01 0.00 0.00 42.46 42.04 1bs4 s ILE 1060CO 0.06 -0.06 0.18 -0.62 0.00 0.00 0.00 174.94 174.51 1bs4 s ASP 1061N -0.14 1.60 0.00 3.58 -1.08 -0.62 -1.00 116.67 119.01 1bs4 s ASP 1061Ca -0.03 -0.30 0.19 0.00 -0.52 0.00 0.00 52.55 51.90 1bs4 s ASP 1061Cb -0.03 0.21 0.47 0.00 -1.46 0.00 0.00 42.92 42.11 1bs4 s ASP 1061CO 0.01 -0.33 1.39 1.33 0.52 0.00 0.00 175.17 178.09 1bs4 n VAL 1062N 5.31 0.79 -2.11 1.11 0.24 -1.26 -4.60 118.33 117.81 1bs4 n VAL 1062Ca -0.06 -0.90 -0.33 0.00 -2.04 0.00 0.00 64.34 61.02 1bs4 n VAL 1062Cb 0.49 0.69 0.01 0.00 -1.47 0.00 0.00 33.84 33.56 1bs4 n VAL 1062CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1bs4 s SER 1063N -1.14 5.84 0.18 -1.34 1.04 -1.26 -4.97 113.70 112.05 1bs4 s SER 1063Ca 0.38 1.84 0.04 0.00 0.48 0.00 0.00 55.95 58.69 1bs4 s SER 1063Cb 0.21 -2.54 0.05 0.00 0.10 0.00 0.00 66.02 63.84 1bs4 s SER 1063CO 0.28 -1.13 1.42 -0.33 0.98 0.00 0.00 173.24 174.46 1bs4 h GLU 1064N 0.59 0.17 -0.01 4.02 3.07 -2.01 -3.05 114.58 117.36 1bs4 h GLU 1064Ca -0.47 -0.17 0.00 0.00 -0.50 0.00 0.00 59.36 58.22 1bs4 h GLU 1064Cb 1.22 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1bs4 h GLU 1064CO 0.58 0.89 -0.11 0.09 -1.40 0.00 0.00 179.01 179.06 1bs4 n ASN 1065N -3.69 1.05 -3.47 1.42 3.02 -1.26 -4.95 115.26 107.38 1bs4 n ASN 1065Ca -0.03 -1.10 -0.18 0.00 -0.03 0.00 0.00 54.58 53.24 1bs4 n ASN 1065Cb 0.77 0.03 0.07 0.00 -0.61 0.00 0.00 39.78 40.04 1bs4 n ASN 1065CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1bs4 n ARG 1066N -0.39 -5.62 -1.19 3.52 5.12 -1.15 -4.92 116.66 112.03 1bs4 n ARG 1066Ca 0.16 0.79 0.03 0.00 -1.93 0.00 0.00 57.85 56.90 1bs4 n ARG 1066Cb 0.32 -5.68 0.01 0.00 -1.16 0.00 0.00 32.46 25.96 1bs4 n ARG 1066CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1bs4 n ASP 1067N -3.12 0.67 -3.81 0.55 5.75 -1.26 -5.00 116.55 110.34 1bs4 n ASP 1067Ca -0.26 -2.00 -0.30 0.00 -0.01 0.00 0.00 54.79 52.22 1bs4 n ASP 1067Cb 0.66 -0.26 -0.13 0.00 -1.03 0.00 0.00 41.12 40.36 1bs4 n ASP 1067CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1bs4 s GLU 1068N 0.00 1.57 -0.37 0.11 2.12 -1.26 -5.08 118.70 115.80 1bs4 s GLU 1068Ca 0.23 -2.26 -0.24 0.00 0.36 0.00 0.00 54.97 53.06 1bs4 s GLU 1068Cb 0.27 -2.74 0.01 0.00 0.26 0.00 0.00 34.13 31.92 1bs4 s GLU 1068CO -0.12 -1.14 0.83 1.03 -0.54 0.00 0.00 175.26 175.32 1bs4 s ARG 1069N 0.08 3.78 -0.19 4.30 0.52 -1.26 -4.35 118.95 121.83 1bs4 s ARG 1069Ca 0.17 0.39 -0.03 0.00 -0.52 0.00 0.00 55.73 55.75 1bs4 s ARG 1069Cb -0.25 -3.81 -0.02 0.00 0.52 0.00 0.00 34.95 31.40 1bs4 s ARG 1069CO 0.00 -0.88 -0.05 -1.17 0.02 0.00 0.00 175.30 173.22 1bs4 s LEU 1070N 3.22 2.99 -0.15 2.53 2.96 -0.17 -5.01 118.68 125.04 1bs4 s LEU 1070Ca 0.33 -0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 53.93 1bs4 s LEU 1070Cb -0.13 -1.74 -0.01 0.00 0.50 0.00 0.00 46.19 44.81 1bs4 s LEU 1070CO 0.17 0.07 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.47 1bs4 s VAL 1071N 0.97 3.15 -0.28 1.68 1.01 -1.26 -0.98 120.40 124.68 1bs4 s VAL 1071Ca -0.00 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1bs4 s VAL 1071Cb -0.15 -2.35 0.06 0.00 0.00 0.00 0.00 36.38 33.95 1bs4 s VAL 1071CO 0.01 0.50 -0.06 -0.76 0.00 0.00 0.00 175.10 174.79 1bs4 s LEU 1072N 0.63 3.78 -0.15 3.92 1.43 -0.06 -4.52 118.68 123.72 1bs4 s LEU 1072Ca -0.06 -1.50 -0.04 0.00 -1.03 0.00 0.00 54.13 51.51 1bs4 s LEU 1072Cb -0.15 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 1bs4 s LEU 1072CO 0.03 -0.24 -0.03 -0.63 0.23 0.00 0.00 176.35 175.71 1bs4 s ILE 1073N 1.11 4.00 -1.31 -0.59 1.01 -0.47 -0.97 121.20 123.98 1bs4 s ILE 1073Ca -0.05 -0.33 -0.05 0.00 0.00 0.00 0.00 60.65 60.23 1bs4 s ILE 1073Cb -0.20 -2.74 -0.00 0.00 0.01 0.00 0.00 42.46 39.52 1bs4 s ILE 1073CO -0.05 0.51 0.59 0.59 0.00 0.00 0.00 174.94 176.58 1bs4 n ASN 1074N 3.33 -1.79 -4.77 3.58 3.02 -0.26 -0.69 115.26 117.68 1bs4 n ASN 1074Ca -0.17 -0.95 -0.37 0.00 -0.03 0.00 0.00 54.58 53.06 1bs4 n ASN 1074Cb 0.53 -3.46 0.01 0.00 -0.61 0.00 0.00 39.78 36.25 1bs4 n ASN 1074CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1bs4 s PRO 1075N -6.22 3.48 -0.03 3.52 0.04 -1.26 -4.59 135.00 129.94 1bs4 s PRO 1075Ca 0.12 1.83 0.01 0.00 0.04 0.00 0.00 61.00 62.99 1bs4 s PRO 1075Cb -0.04 -2.24 0.02 0.00 0.04 0.00 0.00 34.50 32.27 1bs4 s PRO 1075CO 0.86 -0.80 -0.02 -1.83 0.04 0.00 0.00 177.00 175.25 1bs4 s GLU 1076N -2.92 0.47 -0.35 4.56 -1.05 0.26 -4.98 118.70 114.69 1bs4 s GLU 1076Ca 0.68 -0.04 -0.29 0.00 -0.15 0.00 0.00 54.97 55.18 1bs4 s GLU 1076Cb -0.30 -0.55 0.02 0.00 -0.44 0.00 0.00 34.13 32.86 1bs4 s GLU 1076CO 0.35 -0.06 1.08 -1.17 0.95 0.00 0.00 175.26 176.41 1bs4 s LEU 1077N 0.71 3.88 -0.11 1.83 2.96 -1.26 -1.38 118.68 125.31 1bs4 s LEU 1077Ca -0.08 0.92 -0.13 0.00 -0.22 0.00 0.00 54.13 54.61 1bs4 s LEU 1077Cb -0.11 -3.53 -0.27 0.00 0.50 0.00 0.00 46.19 42.78 1bs4 s LEU 1077CO -0.01 -0.95 0.51 -0.07 -1.32 0.00 0.00 176.35 174.51 1bs4 h LEU 1078N 10.30 0.40 -7.00 -0.68 3.38 -1.14 -3.49 115.31 117.08 1bs4 h LEU 1078Ca -0.21 -0.86 -0.04 0.00 0.09 0.00 0.00 57.88 56.86 1bs4 h LEU 1078Cb 1.06 -0.13 -0.17 0.00 0.09 0.00 0.00 40.66 41.52 1bs4 h LEU 1078CO 1.05 1.69 0.22 -1.83 0.09 0.00 0.00 178.44 179.66 1bs4 s GLU 1079N -2.50 1.12 0.10 1.13 -1.05 -1.07 -5.00 118.70 111.42 1bs4 s GLU 1079Ca -0.20 -0.02 -0.05 0.00 -0.15 0.00 0.00 54.97 54.55 1bs4 s GLU 1079Cb 0.05 0.52 -0.02 0.00 -0.44 0.00 0.00 34.13 34.24 1bs4 s GLU 1079CO 0.77 -0.41 0.12 -1.59 0.95 0.00 0.00 175.26 175.10 1bs4 s LYS 1080N -2.14 0.86 0.16 -4.83 -2.85 -1.26 -0.10 119.74 109.58 1bs4 s LYS 1080Ca -0.06 -1.16 -0.21 0.00 -1.00 0.00 0.00 55.97 53.54 1bs4 s LYS 1080Cb -0.00 0.29 0.06 0.00 -2.06 0.00 0.00 37.83 36.12 1bs4 s LYS 1080CO 0.01 -0.25 0.56 -1.54 0.10 0.00 0.00 175.35 174.23 1bs4 s SER 1081N -2.93 -0.46 0.02 0.03 1.04 -0.60 -4.99 113.70 105.81 1bs4 s SER 1081Ca 0.12 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1bs4 s SER 1081Cb 0.06 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.76 1bs4 s SER 1081CO -0.06 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.79 1bs4 n GLY 1082N -0.35 -1.61 3.10 7.32 0.00 -1.26 -1.28 105.19 111.11 1bs4 n GLY 1082Ca -0.15 -1.50 -0.13 0.00 0.00 0.00 0.00 46.02 44.24 1bs4 n GLY 1082CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bs4 s GLU 1083N -1.52 0.26 0.13 1.61 1.03 -1.26 -3.20 118.70 115.75 1bs4 s GLU 1083Ca 0.00 0.40 0.03 0.00 0.03 0.00 0.00 54.97 55.43 1bs4 s GLU 1083Cb 0.00 0.05 -0.01 0.00 -0.80 0.00 0.00 34.13 33.37 1bs4 s GLU 1083CO 0.00 -0.08 0.11 0.25 -1.33 0.00 0.00 175.26 174.21 1bs4 n THR 1084N 3.37 0.00 -3.65 1.83 -2.24 0.77 -4.61 114.28 109.75 1bs4 n THR 1084Ca -0.17 -0.96 -0.01 0.00 -2.27 0.00 0.00 64.05 60.65 1bs4 n THR 1084Cb 0.57 0.47 -0.07 0.00 -2.10 0.00 0.00 70.33 69.20 1bs4 n THR 1084CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1bs4 s GLY 1085N -1.92 0.37 0.36 3.38 0.00 -1.26 -0.83 107.32 107.41 1bs4 s GLY 1085Ca 0.15 3.52 0.05 0.00 0.00 0.00 0.00 44.72 48.43 1bs4 s GLY 1085CO 0.11 2.42 0.05 -0.26 0.00 0.00 0.00 173.10 175.41 1bs4 s ILE 1086N 0.74 1.40 -0.57 0.90 -4.36 -1.26 -4.93 121.20 113.11 1bs4 s ILE 1086Ca -0.03 -2.00 -0.28 0.00 -0.26 0.00 0.00 60.65 58.08 1bs4 s ILE 1086Cb -0.04 -2.83 0.02 0.00 1.25 0.00 0.00 42.46 40.86 1bs4 s ILE 1086CO -0.12 0.00 1.37 -1.61 0.24 0.00 0.00 174.94 174.82 1bs4 s GLU 1087N -3.84 3.33 0.19 0.37 2.02 -1.26 -3.48 118.70 116.03 1bs4 s GLU 1087Ca 0.35 0.40 -0.16 0.00 0.02 0.00 0.00 54.97 55.58 1bs4 s GLU 1087Cb 0.09 -4.11 -0.08 0.00 0.10 0.00 0.00 34.13 30.13 1bs4 s GLU 1087CO 0.16 -1.90 0.63 -1.21 0.02 0.00 0.00 175.26 172.95 1bs4 s GLU 1088N 5.43 4.08 0.34 1.61 2.02 -0.32 -4.71 118.70 127.15 1bs4 s GLU 1088Ca 0.50 0.64 0.02 0.00 0.02 0.00 0.00 54.97 56.16 1bs4 s GLU 1088Cb -0.10 -2.88 0.02 0.00 0.10 0.00 0.00 34.13 31.27 1bs4 s GLU 1088CO 0.25 0.43 0.17 0.41 0.02 0.00 0.00 175.26 176.53 1bs4 n GLY 1089N 0.70 3.18 3.64 -1.39 0.00 -1.26 -2.30 105.19 107.76 1bs4 n GLY 1089Ca -0.04 -2.27 -0.06 0.00 0.00 0.00 0.00 46.02 43.66 1bs4 n GLY 1089CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bs4 h LEU 1091N 5.30 0.00 -0.00 0.00 3.38 -1.95 -2.26 115.31 119.77 1bs4 h LEU 1091Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1bs4 h LEU 1091Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1bs4 h LEU 1091CO 0.16 0.05 -0.11 -1.20 0.09 0.00 0.00 178.44 177.43 1bs4 n SER 1092N -3.23 0.11 -3.33 -0.43 7.64 -1.26 -4.18 113.62 108.94 1bs4 n SER 1092Ca -0.01 0.31 -0.26 0.00 1.01 0.00 0.00 58.87 59.93 1bs4 n SER 1092Cb 0.24 -0.33 -0.08 0.00 -1.01 0.00 0.00 64.21 63.03 1bs4 n SER 1092CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1bs4 n ILE 1093N -1.49 0.49 -1.71 0.44 5.41 -0.85 -1.54 119.36 120.11 1bs4 n ILE 1093Ca 0.07 -4.45 -0.42 0.00 1.00 0.00 0.00 62.75 58.95 1bs4 n ILE 1093Cb 0.34 -2.00 -0.03 0.00 -0.71 0.00 0.00 39.64 37.24 1bs4 n ILE 1093CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1bs4 n PRO 1094N 1.34 2.73 -0.91 0.38 -0.04 -1.25 -2.76 135.00 134.50 1bs4 n PRO 1094Ca 0.25 0.98 0.00 0.00 -0.04 0.00 0.00 63.50 64.69 1bs4 n PRO 1094Cb 0.47 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.10 1bs4 n PRO 1094CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1bs4 n GLU 1095N 4.04 -0.46 -4.00 0.54 1.02 -1.26 -4.81 120.64 115.70 1bs4 n GLU 1095Ca 0.16 0.12 -0.35 0.00 -0.02 0.00 0.00 57.16 57.07 1bs4 n GLU 1095Cb 0.34 -3.61 -0.06 0.00 -0.02 0.00 0.00 31.44 28.09 1bs4 n GLU 1095CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1bs4 s GLN 1096N -0.65 3.28 0.01 3.49 -1.52 -1.11 -5.11 119.66 118.06 1bs4 s GLN 1096Ca 0.00 -0.32 0.01 0.00 -1.95 0.00 0.00 55.36 53.10 1bs4 s GLN 1096Cb 0.00 -3.03 -0.01 0.00 -0.22 0.00 0.00 33.01 29.75 1bs4 s GLN 1096CO 0.00 0.70 -0.03 1.03 -0.25 0.00 0.00 175.29 176.74 1bs4 s ARG 1097N -1.49 0.27 -0.20 2.91 0.52 -1.26 -4.40 118.95 115.31 1bs4 s ARG 1097Ca 0.21 -0.33 -0.24 0.00 -0.52 0.00 0.00 55.73 54.84 1bs4 s ARG 1097Cb -0.12 -0.12 0.06 0.00 0.52 0.00 0.00 34.95 35.29 1bs4 s ARG 1097CO 0.11 0.02 0.65 0.00 0.02 0.00 0.00 175.30 176.10 1bs4 s ALA 1098N -0.64 -1.63 0.20 2.13 0.00 -0.97 -4.90 121.76 115.95 1bs4 s ALA 1098Ca -0.05 1.68 -0.30 0.00 0.00 0.00 0.00 51.96 53.29 1bs4 s ALA 1098Cb -0.05 -0.80 -0.08 0.00 0.00 0.00 0.00 23.12 22.19 1bs4 s ALA 1098CO -0.00 -0.32 1.18 -1.17 0.00 0.00 0.00 175.76 175.44 1bs4 s LEU 1099N -0.06 4.47 -0.01 0.00 0.20 -1.25 -1.17 118.68 120.86 1bs4 s LEU 1099Ca -0.03 2.24 0.01 0.00 0.69 0.00 0.00 54.13 57.05 1bs4 s LEU 1099Cb -0.04 -3.61 0.00 0.00 -0.43 0.00 0.00 46.19 42.12 1bs4 s LEU 1099CO 0.03 -0.33 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.03 1bs4 s VAL 1100N -0.28 0.31 0.02 1.68 1.01 -1.23 -4.97 120.40 116.94 1bs4 s VAL 1100Ca 0.51 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.05 1bs4 s VAL 1100Cb -0.33 -0.29 -0.06 0.00 0.00 0.00 0.00 36.38 35.71 1bs4 s VAL 1100CO 0.38 0.11 1.40 -2.84 0.00 0.00 0.00 175.10 174.14 1bs4 s PRO 1101N 0.11 4.29 0.19 2.72 0.02 -1.26 -4.25 135.00 136.82 1bs4 s PRO 1101Ca -0.01 1.98 0.04 0.00 0.02 0.00 0.00 61.00 63.04 1bs4 s PRO 1101Cb -0.04 -3.51 -0.05 0.00 0.02 0.00 0.00 34.50 30.92 1bs4 s PRO 1101CO -0.00 -0.54 -0.07 1.03 -0.33 0.00 0.00 177.00 177.09 1bs4 s ARG 1102N 2.15 1.20 0.46 5.54 1.81 -0.01 -4.99 118.95 125.11 1bs4 s ARG 1102Ca 0.64 -1.56 -0.23 0.00 -1.72 0.00 0.00 55.73 52.87 1bs4 s ARG 1102Cb -0.32 -0.67 -0.07 0.00 -0.45 0.00 0.00 34.95 33.43 1bs4 s ARG 1102CO 0.27 0.02 1.15 0.00 -0.68 0.00 0.00 175.30 176.06 1bs4 s ALA 1103N -3.33 2.97 0.06 2.13 0.00 -1.26 -0.17 121.76 122.16 1bs4 s ALA 1103Ca 0.22 0.90 -0.10 0.00 0.00 0.00 0.00 51.96 52.97 1bs4 s ALA 1103Cb 0.04 -3.37 -0.30 0.00 0.00 0.00 0.00 23.12 19.49 1bs4 s ALA 1103CO 0.04 -0.61 1.09 1.49 0.00 0.00 0.00 175.76 177.77 1bs4 h GLU 1104N 2.04 0.44 -5.70 0.00 4.81 -1.18 -3.42 114.58 111.57 1bs4 h GLU 1104Ca -0.49 -0.71 -0.50 0.00 -0.13 0.00 0.00 59.36 57.54 1bs4 h GLU 1104Cb 1.24 0.26 -0.24 0.00 0.63 0.00 0.00 28.75 30.64 1bs4 h GLU 1104CO 0.60 1.33 -0.81 0.15 -0.73 0.00 0.00 179.01 179.55 1bs4 s LYS 1105N -2.72 1.07 -0.08 1.92 -0.14 -0.40 -3.79 119.74 115.60 1bs4 s LYS 1105Ca -0.07 -0.92 -0.06 0.00 -1.36 0.00 0.00 55.97 53.55 1bs4 s LYS 1105Cb 0.06 -1.16 0.02 0.00 -1.68 0.00 0.00 37.83 35.07 1bs4 s LYS 1105CO 0.92 0.28 0.20 0.08 -0.76 0.00 0.00 175.35 176.06 1bs4 s VAL 1106N -0.98 -0.01 -0.16 3.17 1.01 -0.09 -1.56 120.40 121.78 1bs4 s VAL 1106Ca 0.03 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1bs4 s VAL 1106Cb -0.09 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 36.03 1bs4 s VAL 1106CO 0.02 0.01 -0.15 -0.75 0.00 0.00 0.00 175.10 174.23 1bs4 s LYS 1107N 0.26 2.45 0.24 2.72 2.20 0.86 -0.62 119.74 127.85 1bs4 s LYS 1107Ca -0.01 -0.62 0.11 0.00 -0.36 0.00 0.00 55.97 55.09 1bs4 s LYS 1107Cb -0.03 -2.21 -0.05 0.00 -1.51 0.00 0.00 37.83 34.03 1bs4 s LYS 1107CO -0.01 -0.23 -0.20 0.96 -0.36 0.00 0.00 175.35 175.51 1bs4 s ILE 1108N 1.44 2.26 -0.03 5.43 -4.36 -0.05 -0.50 121.20 125.39 1bs4 s ILE 1108Ca 0.05 -2.26 0.06 0.00 -0.26 0.00 0.00 60.65 58.24 1bs4 s ILE 1108Cb -0.13 -2.18 -0.02 0.00 1.25 0.00 0.00 42.46 41.38 1bs4 s ILE 1108CO -0.11 -0.38 -0.20 -0.60 0.24 0.00 0.00 174.94 173.89 1bs4 s ARG 1109N -3.31 2.29 0.27 0.37 3.52 -0.48 -1.12 118.95 120.49 1bs4 s ARG 1109Ca 0.26 -0.82 -0.13 0.00 -0.13 0.00 0.00 55.73 54.90 1bs4 s ARG 1109Cb -0.05 -2.21 0.00 0.00 -1.56 0.00 0.00 34.95 31.13 1bs4 s ARG 1109CO 0.12 0.59 0.52 0.00 -0.81 0.00 0.00 175.30 175.72 1bs4 s ALA 1110N -0.69 -0.28 -0.02 6.12 0.00 -0.48 -0.57 121.76 125.83 1bs4 s ALA 1110Ca 0.11 -0.87 -0.07 0.00 0.00 0.00 0.00 51.96 51.13 1bs4 s ALA 1110Cb -0.10 1.03 -0.05 0.00 0.00 0.00 0.00 23.12 24.00 1bs4 s ALA 1110CO 0.00 -0.88 0.25 -0.51 0.00 0.00 0.00 175.76 174.62 1bs4 s LEU 1111N -3.03 4.39 0.00 0.00 1.43 0.13 -0.35 118.68 121.25 1bs4 s LEU 1111Ca 0.22 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 1bs4 s LEU 1111Cb -0.01 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.69 1bs4 s LEU 1111CO 0.10 0.30 0.00 -0.90 0.23 0.00 0.00 176.35 176.08 1bs4 n ASP 1112N 1.38 0.00 0.29 2.29 5.68 -0.32 -1.36 116.55 124.51 1bs4 n ASP 1112Ca -0.14 -0.98 0.17 0.00 -0.50 0.00 0.00 54.79 53.34 1bs4 n ASP 1112Cb 0.53 0.00 0.85 0.00 -1.14 0.00 0.00 41.12 41.36 1bs4 n ASP 1112CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1bs4 h ARG 1113N 0.00 0.00 -0.01 0.11 2.43 -1.90 -0.61 114.38 114.41 1bs4 h ARG 1113Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1bs4 h ARG 1113Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1bs4 h ARG 1113CO 0.00 0.06 -0.29 -0.25 -1.51 0.00 0.00 179.97 177.97 1bs4 n ASP 1114N -3.34 0.93 0.00 -3.80 8.00 -1.26 -4.87 116.55 112.21 1bs4 n ASP 1114Ca -0.01 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.70 1bs4 n ASP 1114Cb 0.21 0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 1bs4 n ASP 1114CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bs4 n GLY 1115N 1.36 0.56 3.77 0.44 0.00 -0.23 -4.99 105.19 106.10 1bs4 n GLY 1115Ca 0.11 -0.53 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 1bs4 n GLY 1115CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bs4 s LYS 1116N -1.04 4.06 0.51 1.61 -0.14 -1.26 -4.76 119.74 118.72 1bs4 s LYS 1116Ca 0.00 0.13 -0.21 0.00 -1.36 0.00 0.00 55.97 54.53 1bs4 s LYS 1116Cb 0.00 -3.35 -0.06 0.00 -1.68 0.00 0.00 37.83 32.74 1bs4 s LYS 1116CO 0.00 0.41 1.17 -2.14 -0.76 0.00 0.00 175.35 174.03 1bs4 s PRO 1117N -0.08 3.49 0.09 -1.68 0.02 -1.26 -1.17 135.00 134.40 1bs4 s PRO 1117Ca 0.18 1.75 -0.14 0.00 0.02 0.00 0.00 61.00 62.81 1bs4 s PRO 1117Cb -0.14 -2.20 0.02 0.00 0.02 0.00 0.00 34.50 32.21 1bs4 s PRO 1117CO 0.06 -0.77 0.32 -0.59 -0.33 0.00 0.00 177.00 175.69 1bs4 s PHE 1118N -1.62 -0.09 0.07 6.54 -0.71 0.53 -4.88 117.98 117.82 1bs4 s PHE 1118Ca 0.69 -0.18 0.07 0.00 -1.04 0.00 0.00 56.93 56.47 1bs4 s PHE 1118Cb -0.28 0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.63 1bs4 s PHE 1118CO 0.32 -0.60 -0.13 -1.21 -1.34 0.00 0.00 175.22 172.27 1bs4 s GLU 1119N -3.35 2.13 -0.08 1.99 2.02 -1.26 -1.38 118.70 118.76 1bs4 s GLU 1119Ca 0.01 -0.99 -0.03 0.00 0.02 0.00 0.00 54.97 53.97 1bs4 s GLU 1119Cb 0.02 -2.28 0.04 0.00 0.10 0.00 0.00 34.13 32.01 1bs4 s GLU 1119CO -0.08 0.53 0.17 -1.17 0.02 0.00 0.00 175.26 174.72 1bs4 s LEU 1120N -1.87 0.40 -0.19 1.80 2.96 -0.28 -5.00 118.68 116.50 1bs4 s LEU 1120Ca 0.18 0.36 -0.09 0.00 -0.22 0.00 0.00 54.13 54.37 1bs4 s LEU 1120Cb -0.11 0.42 -0.05 0.00 0.50 0.00 0.00 46.19 46.95 1bs4 s LEU 1120CO 0.10 -0.18 0.11 -1.61 -1.32 0.00 0.00 176.35 173.44 1bs4 s GLU 1121N 1.57 4.06 0.04 1.98 2.02 -1.26 -0.87 118.70 126.24 1bs4 s GLU 1121Ca -0.05 -0.25 0.03 0.00 0.02 0.00 0.00 54.97 54.72 1bs4 s GLU 1121Cb -0.12 -3.33 -0.02 0.00 0.10 0.00 0.00 34.13 30.76 1bs4 s GLU 1121CO -0.06 0.33 -0.11 0.00 0.02 0.00 0.00 175.26 175.44 1bs4 s ALA 1122N 0.25 0.85 0.00 5.21 0.00 0.21 -5.00 121.76 123.27 1bs4 s ALA 1122Ca 0.07 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1bs4 s ALA 1122Cb -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1bs4 s ALA 1122CO -0.01 0.10 0.00 -0.40 0.00 0.00 0.00 175.76 175.45 1bs4 n ASP 1123N 1.67 0.75 0.00 0.00 5.68 -1.26 -0.92 116.55 122.47 1bs4 n ASP 1123Ca -0.20 -0.83 0.00 0.00 -0.50 0.00 0.00 54.79 53.26 1bs4 n ASP 1123Cb 0.55 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 1bs4 n ASP 1123CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bs4 n GLY 1124N 1.86 0.53 0.31 6.12 0.00 -1.25 -2.40 105.19 110.37 1bs4 n GLY 1124Ca 0.00 -0.81 0.08 0.00 0.00 0.00 0.00 46.02 45.29 1bs4 n GLY 1124CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1bs4 h LEU 1125N 0.00 0.56 -0.48 0.99 6.46 -2.00 -2.85 115.31 117.98 1bs4 h LEU 1125Ca 0.00 0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 1bs4 h LEU 1125Cb 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 1bs4 h LEU 1125CO 0.00 0.23 0.25 0.25 -0.62 0.00 0.00 178.44 178.55 1bs4 h LEU 1126N 0.64 0.62 -0.61 2.25 6.46 -1.96 -0.70 115.31 122.01 1bs4 h LEU 1126Ca 0.48 -0.11 0.00 0.00 -0.12 0.00 0.00 57.88 58.12 1bs4 h LEU 1126Cb 0.68 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.42 1bs4 h LEU 1126CO -0.36 0.56 0.38 0.00 -0.62 0.00 0.00 178.44 178.40 1bs4 h ALA 1127N 1.09 0.78 -0.48 1.25 0.00 -1.28 -0.83 119.26 119.79 1bs4 h ALA 1127Ca 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1bs4 h ALA 1127Cb 0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1bs4 h ALA 1127CO -0.02 0.24 0.20 0.82 0.00 0.00 0.00 179.25 180.49 1bs4 h ILE 1128N 0.83 1.20 -0.48 0.00 2.04 -1.28 -2.63 117.51 117.19 1bs4 h ILE 1128Ca 0.22 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 1bs4 h ILE 1128Cb -0.05 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1bs4 h ILE 1128CO -0.04 0.23 0.14 0.00 0.00 0.00 0.00 178.15 178.48 1bs4 h ILE 1130N 0.65 1.12 -0.36 0.00 2.04 -1.09 -0.45 117.51 119.42 1bs4 h ILE 1130Ca 0.15 -0.31 -0.13 0.00 1.00 0.00 0.00 64.86 65.58 1bs4 h ILE 1130Cb 0.30 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1bs4 h ILE 1130CO -0.00 0.16 -0.27 1.56 0.00 0.00 0.00 178.15 179.61 1bs4 h GLN 1131N 0.90 0.81 -0.38 2.37 4.20 -1.14 0.19 115.11 122.06 1bs4 h GLN 1131Ca 0.28 -0.40 0.03 0.00 0.06 0.00 0.00 58.65 58.62 1bs4 h GLN 1131Cb -0.02 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 1bs4 h GLN 1131CO -0.10 1.03 0.20 1.25 -0.67 0.00 0.00 178.83 180.54 1bs4 h HIS 1132N 0.61 0.36 -0.26 2.96 2.76 -1.04 -1.31 115.15 119.22 1bs4 h HIS 1132Ca 0.07 0.02 -0.19 0.00 -2.20 0.00 0.00 60.37 58.07 1bs4 h HIS 1132Cb 0.84 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.69 1bs4 h HIS 1132CO 0.06 0.20 -0.57 0.93 -1.30 0.00 0.00 177.93 177.25 1bs4 h GLU 1133N 0.40 0.82 -0.15 5.26 4.39 -0.97 -2.74 114.58 121.58 1bs4 h GLU 1133Ca 0.16 -0.54 -0.04 0.00 0.34 0.00 0.00 59.36 59.28 1bs4 h GLU 1133Cb 0.06 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1bs4 h GLU 1133CO -0.10 1.16 -0.08 0.52 -1.16 0.00 0.00 179.01 179.35 1bs4 h MET 1134N 0.62 0.23 -0.70 2.33 2.86 -0.87 -2.58 114.93 116.83 1bs4 h MET 1134Ca 0.01 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1bs4 h MET 1134Cb 1.17 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.76 1bs4 h MET 1134CO 0.12 0.33 0.44 -0.44 1.06 0.00 0.00 176.91 178.42 1bs4 h ASP 1135N 0.22 0.74 -1.00 1.22 5.19 -0.94 -2.39 116.42 119.46 1bs4 h ASP 1135Ca 0.05 -0.00 0.19 0.00 -0.62 0.00 0.00 57.03 56.64 1bs4 h ASP 1135Cb 0.30 -0.16 -0.10 0.00 0.18 0.00 0.00 39.33 39.54 1bs4 h ASP 1135CO 0.01 0.51 0.61 0.45 -3.12 0.00 0.00 179.24 177.71 1bs4 h HIS 1136N 0.87 1.05 0.00 4.55 3.86 -1.30 0.04 115.15 124.22 1bs4 h HIS 1136Ca 0.27 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.52 1bs4 h HIS 1136Cb -0.01 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.14 1bs4 h HIS 1136CO -0.04 0.24 0.00 -0.07 0.86 0.00 0.00 177.93 178.92 1bs4 h LEU 1137N 0.75 0.00 -3.25 2.43 3.38 -1.44 -1.42 115.31 115.76 1bs4 h LEU 1137Ca 0.57 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.52 1bs4 h LEU 1137Cb 0.91 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1bs4 h LEU 1137CO -0.37 0.00 -0.00 1.33 0.09 0.00 0.00 178.44 179.49 1bs4 n VAL 1138N -2.74 2.29 -1.17 1.22 0.24 -0.82 -0.85 118.33 116.50 1bs4 n VAL 1138Ca 0.01 -1.99 -0.02 0.00 -2.04 0.00 0.00 64.34 60.31 1bs4 n VAL 1138Cb 0.28 -0.26 -0.01 0.00 -1.47 0.00 0.00 33.84 32.38 1bs4 n VAL 1138CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bs4 n GLY 1139N -0.64 0.50 3.78 7.63 0.00 -0.53 -4.74 105.19 111.18 1bs4 n GLY 1139Ca 0.22 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 1bs4 n GLY 1139CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bs4 s LYS 1140N -2.40 3.10 0.15 1.61 1.02 -0.06 -4.51 119.74 118.66 1bs4 s LYS 1140Ca 0.00 -0.44 0.11 0.00 0.02 0.00 0.00 55.97 55.66 1bs4 s LYS 1140Cb 0.00 -2.89 -0.04 0.00 -0.52 0.00 0.00 37.83 34.38 1bs4 s LYS 1140CO 0.00 0.66 -0.25 -0.51 -0.92 0.00 0.00 175.35 174.33 1bs4 s LEU 1141N -1.59 2.37 0.56 3.17 1.43 -1.26 -3.02 118.68 120.33 1bs4 s LEU 1141Ca 0.21 -0.80 0.30 0.00 -1.03 0.00 0.00 54.13 52.81 1bs4 s LEU 1141Cb -0.12 -1.18 1.69 0.00 0.03 0.00 0.00 46.19 46.61 1bs4 s LEU 1141CO 0.12 0.15 2.18 2.19 0.23 0.00 0.00 176.35 181.22 1bs4 h PHE 1142N 3.61 0.00 0.00 0.29 -5.15 -1.97 -0.52 116.94 113.19 1bs4 h PHE 1142Ca -0.49 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.28 1bs4 h PHE 1142Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.36 1bs4 h PHE 1142CO 0.64 0.05 0.00 0.00 -2.00 0.00 0.00 178.31 177.00 1bs4 h MET 1143N 0.00 0.00 0.00 6.09 -0.00 -1.98 -2.67 114.93 116.38 1bs4 h MET 1143Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1bs4 h MET 1143Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.75 1bs4 h MET 1143CO 0.01 0.00 0.00 -0.44 -0.00 0.00 0.00 176.91 176.48 1bs4 h ASP 1144N 0.00 0.00 0.50 -0.10 3.32 -1.50 -2.47 116.42 116.17 1bs4 h ASP 1144Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1bs4 h ASP 1144Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1bs4 h ASP 1144CO 0.00 0.00 -0.24 -1.22 -1.72 0.00 0.00 179.24 176.06 1bs4 n TYR 1145N -2.81 0.00 -3.19 4.55 4.01 -1.00 -4.94 117.16 113.77 1bs4 n TYR 1145Ca -0.00 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.54 1bs4 n TYR 1145Cb 0.20 -0.25 0.02 0.00 -0.31 0.00 0.00 39.34 38.99 1bs4 n TYR 1145CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1bs4 s LEU 1146N -2.74 3.34 0.67 7.72 1.43 -0.93 -5.01 118.68 123.15 1bs4 s LEU 1146Ca 0.20 -0.69 -0.14 0.00 -1.03 0.00 0.00 54.13 52.46 1bs4 s LEU 1146Cb 0.19 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1bs4 s LEU 1146CO 0.57 -0.97 1.10 -0.94 0.23 0.00 0.00 176.35 176.34 1bs4 s SER 1147N -4.41 5.11 0.56 2.29 1.04 -1.26 -4.78 113.70 112.24 1bs4 s SER 1147Ca 0.54 1.95 0.28 0.00 0.48 0.00 0.00 55.95 59.21 1bs4 s SER 1147Cb -0.07 -2.54 1.46 0.00 0.10 0.00 0.00 66.02 64.97 1bs4 s SER 1147CO 0.33 -1.63 1.94 -0.65 0.98 0.00 0.00 173.24 174.21 1bs4 h PRO 1148N -0.09 0.00 0.06 4.02 0.11 -1.98 -0.89 132.00 133.23 1bs4 h PRO 1148Ca -0.46 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.37 1bs4 h PRO 1148Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1bs4 h PRO 1148CO 0.54 0.00 -1.45 -0.07 -0.21 0.00 0.00 178.00 176.81 1bs4 h LEU 1149N 0.00 0.19 -0.77 2.35 -0.00 -1.99 -2.05 115.31 113.05 1bs4 h LEU 1149Ca 0.28 -0.28 -0.08 0.00 -0.00 0.00 0.00 57.88 57.80 1bs4 h LEU 1149Cb 1.24 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 41.81 1bs4 h LEU 1149CO -0.00 1.23 0.04 0.11 -0.00 0.00 0.00 178.44 179.82 1bs4 h LYS 1150N 0.03 0.97 -0.61 1.13 6.56 -1.78 -1.59 116.57 121.29 1bs4 h LYS 1150Ca -0.20 -0.27 -0.04 0.00 -1.06 0.00 0.00 60.65 59.08 1bs4 h LYS 1150Cb 1.95 -0.11 -0.03 0.00 -0.57 0.00 0.00 32.23 33.48 1bs4 h LYS 1150CO 0.13 0.93 0.23 1.96 -2.06 0.00 0.00 179.45 180.65 1bs4 h GLN 1151N 0.90 0.92 -0.54 3.15 4.20 -1.14 -0.03 115.11 122.57 1bs4 h GLN 1151Ca 0.17 -0.17 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 1bs4 h GLN 1151Cb 0.47 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1bs4 h GLN 1151CO 0.02 0.79 -0.05 1.96 -0.67 0.00 0.00 178.83 180.89 1bs4 h GLN 1152N 0.86 0.97 -0.53 1.46 4.20 -1.32 -0.85 115.11 119.90 1bs4 h GLN 1152Ca 0.20 -0.32 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 1bs4 h GLN 1152Cb 0.22 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1bs4 h GLN 1152CO -0.01 0.98 0.20 -0.09 -0.67 0.00 0.00 178.83 179.24 1bs4 h ARG 1153N 0.88 0.80 -0.26 1.46 2.43 -0.73 -2.14 114.38 116.82 1bs4 h ARG 1153Ca 0.15 -0.15 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1bs4 h ARG 1153Cb 0.58 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1bs4 h ARG 1153CO 0.03 0.71 -0.06 0.82 -1.51 0.00 0.00 179.97 179.97 1bs4 h ILE 1154N 0.72 1.28 -0.91 1.20 2.04 -0.73 -2.06 117.51 119.05 1bs4 h ILE 1154Ca 0.18 -1.06 0.02 0.00 1.00 0.00 0.00 64.86 64.99 1bs4 h ILE 1154Cb 0.22 1.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.69 1bs4 h ILE 1154CO -0.01 0.33 0.60 -0.09 0.00 0.00 0.00 178.15 178.98 1bs4 h ARG 1155N 0.25 1.15 -0.37 2.37 2.43 -1.07 -2.06 114.38 117.08 1bs4 h ARG 1155Ca 0.07 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 1bs4 h ARG 1155Cb 0.52 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1bs4 h ARG 1155CO 0.02 0.76 -0.22 1.96 -1.51 0.00 0.00 179.97 180.99 1bs4 h GLN 1156N 1.19 0.81 -0.58 0.20 4.20 -1.26 -1.68 115.11 118.00 1bs4 h GLN 1156Ca 0.35 -0.37 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1bs4 h GLN 1156Cb -0.07 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 1bs4 h GLN 1156CO -0.09 1.00 0.28 0.87 -0.67 0.00 0.00 178.83 180.21 1bs4 h LYS 1157N 0.61 0.81 -0.10 1.46 1.57 -0.98 -1.45 116.57 118.49 1bs4 h LYS 1157Ca 0.08 -0.10 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 1bs4 h LYS 1157Cb 0.78 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.94 1bs4 h LYS 1157CO 0.06 0.63 -0.49 0.28 -0.57 0.00 0.00 179.45 179.37 1bs4 h VAL 1158N 0.81 1.37 -0.54 0.50 2.07 -1.23 -2.35 116.25 116.89 1bs4 h VAL 1158Ca 0.20 -1.81 -0.02 0.00 0.82 0.00 0.00 66.70 65.88 1bs4 h VAL 1158Cb 0.09 2.19 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 1bs4 h VAL 1158CO -0.03 0.54 0.23 -0.33 0.02 0.00 0.00 177.57 178.01 1bs4 h GLU 1159N 0.11 0.77 -0.01 1.57 5.08 -1.17 -0.77 114.58 120.15 1bs4 h GLU 1159Ca -0.03 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1bs4 h GLU 1159Cb 1.13 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 1bs4 h GLU 1159CO 0.10 0.62 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.51 1bs4 h LYS 1160N 0.76 0.01 -0.82 2.33 3.64 -1.29 0.13 116.57 121.33 1bs4 h LYS 1160Ca 0.19 -0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.72 1bs4 h LYS 1160Cb 0.12 -0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 31.85 1bs4 h LYS 1160CO -0.02 0.32 0.38 -0.07 -2.27 0.00 0.00 179.45 177.79 1bs4 h LEU 1161N -0.30 0.41 0.00 5.20 3.38 -0.79 0.36 115.31 123.58 1bs4 h LEU 1161Ca 0.00 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1bs4 h LEU 1161Cb 0.32 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1bs4 h LEU 1161CO 0.00 0.15 -0.01 0.44 0.09 0.00 0.00 178.44 179.10 1bs4 h ASP 1162N 0.52 0.01 -0.71 -0.43 3.32 -1.03 -3.06 116.42 115.05 1bs4 h ASP 1162Ca 0.46 -0.90 0.12 0.00 0.02 0.00 0.00 57.03 56.73 1bs4 h ASP 1162Cb 0.70 -0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.16 1bs4 h ASP 1162CO -0.40 0.91 0.28 0.03 -1.72 0.00 0.00 179.24 178.34 1bs4 h ARG 1163N -0.89 0.43 -2.40 3.56 3.08 -0.77 -2.86 114.38 114.52 1bs4 h ARG 1163Ca -0.00 -0.03 -0.76 0.00 0.07 0.00 0.00 59.98 59.26 1bs4 h ARG 1163Cb 0.91 -0.10 -0.20 0.00 0.08 0.00 0.00 29.97 30.67 1bs4 h ARG 1163CO 0.00 0.28 1.67 1.28 -1.07 0.00 0.00 179.97 182.14 1bs4 n LEU 1164N -4.99 7.67 0.00 3.04 4.32 0.13 -3.94 117.00 123.22 1bs4 n LEU 1164Ca 0.12 -5.07 0.00 0.00 -0.02 0.00 0.00 56.01 51.04 1bs4 n LEU 1164Cb 0.36 -1.26 0.00 0.00 -1.62 0.00 0.00 43.42 40.90 1bs4 n LEU 1164CO 0.20 2.03 0.00 1.17 -1.22 0.00 0.00 177.39 179.57 1bs4 n LYS 1165N 0.81 0.00 -3.93 3.23 3.00 -1.08 -4.76 118.16 115.43 1bs4 n LYS 1165Ca 0.55 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.58 1bs4 n LYS 1165Cb 0.27 -0.31 -0.17 0.00 0.00 0.00 0.00 35.03 34.82 1bs4 n LYS 1165CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1bs4 s ALA 1166N -1.00 1.44 0.87 3.14 0.00 -1.25 -5.09 121.76 119.87 1bs4 s ALA 1166Ca 0.00 -0.62 -0.10 0.00 0.00 0.00 0.00 51.96 51.24 1bs4 s ALA 1166Cb 0.00 -0.94 0.18 0.00 0.00 0.00 0.00 23.12 22.36 1bs4 s ALA 1166CO 0.00 -0.41 1.20 1.03 0.00 0.00 0.00 175.76 177.58 1bs4 s ARG 1167N 1.65 0.98 0.00 0.00 1.81 -1.26 -5.02 118.95 117.11 1bs4 s ARG 1167Ca 0.05 -0.77 0.29 0.00 -1.72 0.00 0.00 55.73 53.58 1bs4 s ARG 1167Cb -0.13 -2.05 1.34 0.00 -0.45 0.00 0.00 34.95 33.66 1bs4 s ARG 1167CO -0.09 -2.07 1.91 0.00 -0.68 0.00 0.00 175.30 174.37