#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nuy s ASN 1009N 0.00 3.62 -0.35 3.42 2.47 -1.26 -5.09 114.94 117.75 1nuy s ASN 1009Ca 0.00 -2.32 -0.27 0.00 0.42 0.00 0.00 52.86 50.69 1nuy s ASN 1009Cb 0.00 -0.88 0.02 0.00 -1.45 0.00 0.00 41.25 38.93 1nuy s ASN 1009CO 0.00 -0.31 1.00 0.27 -3.72 0.00 0.00 177.10 174.34 1nuy s ILE 1010N 0.77 4.54 -0.84 -5.21 -0.00 -1.26 -5.00 121.20 114.20 1nuy s ILE 1010Ca 0.16 1.45 -0.15 0.00 -0.00 0.00 0.00 60.65 62.11 1nuy s ILE 1010Cb -0.23 -4.38 0.21 0.00 -0.00 0.00 0.00 42.46 38.06 1nuy s ILE 1010CO -0.05 -0.52 0.82 -0.69 -0.00 0.00 0.00 174.94 174.49 1nuy s VAL 1011N 3.59 5.49 0.61 8.37 1.01 -1.26 -4.97 120.40 133.24 1nuy s VAL 1011Ca 0.42 -2.33 -0.07 0.00 0.00 0.00 0.00 61.98 59.99 1nuy s VAL 1011Cb -0.12 -4.51 0.00 0.00 0.00 0.00 0.00 36.38 31.75 1nuy s VAL 1011CO 0.18 -1.09 0.94 0.42 0.00 0.00 0.00 175.10 175.55 1nuy s THR 1012N 0.54 3.81 0.21 3.92 -4.23 -1.26 -0.65 115.64 117.98 1nuy s THR 1012Ca 0.20 0.19 -0.09 0.00 -1.18 0.00 0.00 61.69 60.81 1nuy s THR 1012Cb -0.10 -3.53 0.15 0.00 1.34 0.00 0.00 72.50 70.36 1nuy s THR 1012CO -0.09 -0.59 1.78 0.25 -0.54 0.00 0.00 174.62 175.44 1nuy h LEU 1013N -0.26 0.44 -0.38 4.79 6.46 -1.29 -1.60 115.31 123.48 1nuy h LEU 1013Ca -0.45 0.05 0.06 0.00 -0.12 0.00 0.00 57.88 57.42 1nuy h LEU 1013Cb 1.25 -0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 41.09 1nuy h LEU 1013CO 0.62 0.27 0.05 0.74 -0.62 0.00 0.00 178.44 179.50 1nuy h THR 1014N 0.59 0.78 0.29 1.05 2.02 -1.93 0.01 112.91 115.72 1nuy h THR 1014Ca 0.31 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.42 1nuy h THR 1014Cb 0.28 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1nuy h THR 1014CO -0.23 0.03 -0.14 0.03 0.37 0.00 0.00 175.52 175.58 1nuy h ARG 1015N 0.17 -0.38 -0.55 6.66 3.08 -1.84 0.64 114.38 122.16 1nuy h ARG 1015Ca 0.18 0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.36 1nuy h ARG 1015Cb 0.23 0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.28 1nuy h ARG 1015CO -0.26 -0.23 0.07 0.35 -1.07 0.00 0.00 179.97 178.84 1nuy h PHE 1016N -0.43 0.11 -0.09 3.04 3.57 -0.89 0.56 116.94 122.81 1nuy h PHE 1016Ca -0.04 0.04 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 1nuy h PHE 1016Cb 0.32 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1nuy h PHE 1016CO -0.05 -0.06 -0.56 0.28 -2.23 0.00 0.00 178.31 175.69 1nuy h VAL 1017N 0.20 1.37 -0.31 1.41 2.07 -0.69 -1.06 116.25 119.24 1nuy h VAL 1017Ca 0.28 -1.88 -0.07 0.00 0.82 0.00 0.00 66.70 65.85 1nuy h VAL 1017Cb 0.42 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1nuy h VAL 1017CO -0.40 0.56 -0.09 -0.03 0.02 0.00 0.00 177.57 177.63 1nuy h MET 1018N 0.20 0.61 -0.14 1.57 1.85 -0.28 -0.48 114.93 118.26 1nuy h MET 1018Ca -0.00 -0.24 -0.09 0.00 -0.61 0.00 0.00 59.70 58.76 1nuy h MET 1018Cb 1.05 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 33.04 1nuy h MET 1018CO 0.09 0.80 -0.31 0.93 -0.40 0.00 0.00 176.91 178.02 1nuy h GLU 1019N 0.38 0.27 -0.09 0.39 5.08 -0.74 -0.68 114.58 119.18 1nuy h GLU 1019Ca 0.08 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1nuy h GLU 1019Cb 0.58 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1nuy h GLU 1019CO 0.03 0.55 0.05 1.49 -1.00 0.00 0.00 179.01 180.14 1nuy h GLU 1020N 0.23 0.12 -0.38 2.33 4.57 -0.93 -0.24 114.58 120.28 1nuy h GLU 1020Ca 0.03 -0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.31 1nuy h GLU 1020Cb 0.67 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.22 1nuy h GLU 1020CO 0.05 0.15 0.28 0.78 -1.18 0.00 0.00 179.01 179.08 1nuy h GLY 1021N 0.06 0.00 0.12 1.92 0.00 -0.98 -3.04 103.07 101.16 1nuy h GLY 1021Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.40 1nuy h GLY 1021CO -0.01 0.00 -0.40 -0.09 0.00 0.00 0.00 176.54 176.04 1nuy h ARG 1022N 0.00 -0.51 0.00 4.80 2.43 0.57 -3.28 114.38 118.39 1nuy h ARG 1022Ca 0.18 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1nuy h ARG 1022Cb 0.73 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1nuy h ARG 1022CO -0.00 -0.34 0.00 1.63 -1.51 0.00 0.00 179.97 179.75 1nuy n LYS 1023N -5.44 0.00 -0.50 0.20 4.76 -1.15 -4.65 118.16 111.39 1nuy n LYS 1023Ca -0.05 0.06 -0.22 0.00 -2.87 0.00 0.00 58.31 55.23 1nuy n LYS 1023Cb 0.36 -0.56 0.18 0.00 -1.84 0.00 0.00 35.03 33.17 1nuy n LYS 1023CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1nuy n ALA 1024N -2.75 -2.07 -2.49 7.82 0.00 -1.24 -4.94 120.51 114.84 1nuy n ALA 1024Ca 0.00 -1.24 -0.43 0.00 0.00 0.00 0.00 53.44 51.78 1nuy n ALA 1024Cb 0.00 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 1nuy n ALA 1024CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1nuy s ARG 1025N -3.75 4.26 0.05 0.00 3.52 -1.26 -4.95 118.95 116.81 1nuy s ARG 1025Ca 0.45 1.59 0.03 0.00 -0.13 0.00 0.00 55.73 57.68 1nuy s ARG 1025Cb -0.08 -3.71 -0.02 0.00 -1.56 0.00 0.00 34.95 29.58 1nuy s ARG 1025CO 0.43 -0.65 -0.10 0.20 -0.81 0.00 0.00 175.30 174.37 1nuy s GLY 1026N 1.73 0.63 0.11 8.12 0.00 -1.26 -5.01 107.32 111.64 1nuy s GLY 1026Ca 0.52 -0.82 0.24 0.00 0.00 0.00 0.00 44.72 44.67 1nuy s GLY 1026CO 0.14 -0.85 1.31 -1.30 0.00 0.00 0.00 173.10 172.40 1nuy n THR 1027N 1.52 0.34 -0.03 0.90 -2.24 -1.26 -4.92 114.28 108.59 1nuy n THR 1027Ca -0.21 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1nuy n THR 1027Cb 0.55 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1nuy n THR 1027CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nuy n GLY 1028N 1.34 0.36 0.31 3.38 0.00 -1.26 -4.95 105.19 104.37 1nuy n GLY 1028Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 1nuy n GLY 1028CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1nuy h GLU 1029N 4.50 1.01 -0.57 1.61 5.08 -1.95 -1.77 114.58 122.49 1nuy h GLU 1029Ca 0.00 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1nuy h GLU 1029Cb 0.00 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 1nuy h GLU 1029CO 0.00 0.67 -0.06 1.98 -1.00 0.00 0.00 179.01 180.60 1nuy h MET 1030N 1.04 1.03 -0.55 2.33 4.05 -1.94 0.03 114.93 120.92 1nuy h MET 1030Ca 0.31 -0.35 0.02 0.00 -0.28 0.00 0.00 59.70 59.41 1nuy h MET 1030Cb -0.04 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 30.64 1nuy h MET 1030CO -0.10 1.04 0.33 1.15 0.23 0.00 0.00 176.91 179.57 1nuy h THR 1031N 0.93 1.06 -0.55 -0.77 2.02 -1.81 0.05 112.91 113.83 1nuy h THR 1031Ca 0.15 -0.23 0.05 0.00 0.77 0.00 0.00 66.41 67.15 1nuy h THR 1031Cb 0.61 0.34 -0.05 0.00 -1.74 0.00 0.00 68.15 67.32 1nuy h THR 1031CO 0.04 0.12 0.29 1.56 0.37 0.00 0.00 175.52 177.90 1nuy h GLN 1032N 0.66 0.55 0.12 6.66 4.20 -0.75 0.26 115.11 126.82 1nuy h GLN 1032Ca 0.22 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 1nuy h GLN 1032Cb 0.02 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.67 1nuy h GLN 1032CO -0.09 0.36 -0.06 1.25 -0.67 0.00 0.00 178.83 179.62 1nuy h LEU 1033N 0.56 -0.14 -0.43 1.46 5.85 -0.57 -1.30 115.31 120.74 1nuy h LEU 1033Ca 0.24 -0.07 -0.17 0.00 0.84 0.00 0.00 57.88 58.73 1nuy h LEU 1033Cb 0.13 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1nuy h LEU 1033CO -0.16 -0.02 -0.50 -0.07 -0.34 0.00 0.00 178.44 177.35 1nuy h LEU 1034N -0.24 0.82 -0.63 2.25 3.38 -0.83 0.27 115.31 120.33 1nuy h LEU 1034Ca -0.02 -0.42 0.08 0.00 0.09 0.00 0.00 57.88 57.61 1nuy h LEU 1034Cb 0.19 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 1nuy h LEU 1034CO 0.03 1.18 0.30 0.78 0.09 0.00 0.00 178.44 180.81 1nuy h ASN 1035N 0.59 0.38 -0.19 -0.43 -0.26 -0.37 -0.70 115.58 114.60 1nuy h ASN 1035Ca 0.02 0.05 0.01 0.00 -0.56 0.00 0.00 56.30 55.83 1nuy h ASN 1035Cb 1.07 -0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 38.31 1nuy h ASN 1035CO 0.11 0.24 0.10 0.28 -1.06 0.00 0.00 177.43 177.09 1nuy h SER 1036N 0.53 0.15 -0.83 5.81 0.02 -0.78 -2.16 113.55 116.30 1nuy h SER 1036Ca 0.30 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1nuy h SER 1036Cb 0.30 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 1nuy h SER 1036CO -0.24 0.12 0.51 0.25 -1.14 0.00 0.00 176.83 176.32 1nuy h LEU 1037N 0.21 0.98 -1.30 5.07 5.85 -0.56 -1.77 115.31 123.79 1nuy h LEU 1037Ca 0.08 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1nuy h LEU 1037Cb 0.01 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 1nuy h LEU 1037CO -0.05 0.75 0.48 0.00 -0.34 0.00 0.00 178.44 179.27 1nuy h THR 1039N 0.96 1.17 -0.52 0.00 2.02 -0.69 -0.80 112.91 115.03 1nuy h THR 1039Ca 0.27 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1nuy h THR 1039Cb -0.08 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1nuy h THR 1039CO -0.06 0.18 0.28 0.00 0.37 0.00 0.00 175.52 176.29 1nuy h ALA 1040N 1.01 0.67 -0.80 6.16 0.00 -1.09 -2.04 119.26 123.18 1nuy h ALA 1040Ca 0.12 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1nuy h ALA 1040Cb 0.13 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1nuy h ALA 1040CO -0.01 0.20 0.52 0.28 0.00 0.00 0.00 179.25 180.23 1nuy h VAL 1041N 0.70 1.15 -0.68 0.00 2.07 -0.62 0.67 116.25 119.54 1nuy h VAL 1041Ca 0.18 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 1nuy h VAL 1041Cb 0.06 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 29.83 1nuy h VAL 1041CO -0.03 0.19 0.29 0.11 0.02 0.00 0.00 177.57 178.15 1nuy h LYS 1042N 1.03 1.01 -0.58 1.57 1.57 -0.94 0.86 116.57 121.09 1nuy h LYS 1042Ca 0.31 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.82 1nuy h LYS 1042Cb -0.04 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 1nuy h LYS 1042CO -0.10 0.83 -0.02 0.00 -0.57 0.00 0.00 179.45 179.59 1nuy h ALA 1043N 1.13 0.86 -0.49 3.86 0.00 -0.86 -1.11 119.26 122.65 1nuy h ALA 1043Ca 0.23 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1nuy h ALA 1043Cb 0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1nuy h ALA 1043CO -0.02 0.66 0.04 0.82 0.00 0.00 0.00 179.25 180.75 1nuy h ILE 1044N 0.93 1.26 -0.57 0.00 2.04 -0.69 -2.39 117.51 118.09 1nuy h ILE 1044Ca 0.16 -1.00 0.03 0.00 1.00 0.00 0.00 64.86 65.05 1nuy h ILE 1044Cb 0.57 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 1nuy h ILE 1044CO 0.03 0.35 0.34 -1.28 0.00 0.00 0.00 178.15 177.60 1nuy h SER 1045N 0.71 0.54 -0.68 1.72 0.87 -0.58 0.63 113.55 116.77 1nuy h SER 1045Ca 0.14 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.65 1nuy h SER 1045Cb 0.45 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 1nuy h SER 1045CO 0.02 0.38 0.18 0.74 -0.53 0.00 0.00 176.83 177.61 1nuy h THR 1046N 0.66 1.26 -0.40 2.23 2.02 -1.07 -0.99 112.91 116.62 1nuy h THR 1046Ca 0.23 -0.95 -0.06 0.00 0.77 0.00 0.00 66.41 66.41 1nuy h THR 1046Cb 0.05 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1nuy h THR 1046CO -0.11 0.36 0.01 0.00 0.37 0.00 0.00 175.52 176.15 1nuy h ALA 1047N 1.14 0.54 -0.84 6.16 0.00 -1.00 -2.92 119.26 122.34 1nuy h ALA 1047Ca 0.22 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1nuy h ALA 1047Cb 0.35 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1nuy h ALA 1047CO 0.00 0.31 0.42 0.28 0.00 0.00 0.00 179.25 180.26 1nuy h VAL 1048N 0.53 1.25 0.00 0.00 2.07 -0.51 -0.75 116.25 118.85 1nuy h VAL 1048Ca 0.11 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1nuy h VAL 1048Cb 0.47 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1nuy h VAL 1048CO 0.02 0.30 0.00 0.03 0.02 0.00 0.00 177.57 177.94 1nuy h ARG 1049N 1.19 0.00 0.00 1.57 -0.00 -1.06 -2.57 114.38 113.51 1nuy h ARG 1049Ca 0.29 0.00 -0.05 0.00 -0.50 0.00 0.00 59.98 59.72 1nuy h ARG 1049Cb 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 29.97 29.95 1nuy h ARG 1049CO -0.04 0.00 -0.54 0.36 0.00 0.00 0.00 179.97 179.75 1nuy n LYS 1050N -2.49 0.80 -0.30 0.04 2.85 -0.91 -4.91 118.16 113.25 1nuy n LYS 1050Ca 0.02 -2.38 -0.02 0.00 -1.05 0.00 0.00 58.31 54.88 1nuy n LYS 1050Cb 0.27 -0.94 0.11 0.00 -0.65 0.00 0.00 35.03 33.82 1nuy n LYS 1050CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1nuy h ALA 1051N 0.61 1.09 0.00 0.58 0.00 -0.72 -1.42 119.26 119.40 1nuy h ALA 1051Ca -0.06 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1nuy h ALA 1051Cb 1.32 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1nuy h ALA 1051CO 0.03 0.34 -0.42 0.78 0.00 0.00 0.00 179.25 179.98 1nuy h GLY 1052N 1.01 0.00 1.94 0.00 0.00 -1.87 0.15 103.07 104.30 1nuy h GLY 1052Ca 0.33 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.52 1nuy h GLY 1052CO -0.12 0.00 -0.66 -2.22 0.00 0.00 0.00 176.54 173.54 1nuy h ILE 1053N 0.00 1.45 -0.22 2.60 2.04 -1.71 -2.94 117.51 118.74 1nuy h ILE 1053Ca -0.00 -2.20 0.00 0.00 1.00 0.00 0.00 64.86 63.65 1nuy h ILE 1053Cb 0.78 2.18 0.00 0.00 -0.74 0.00 0.00 36.82 39.04 1nuy h ILE 1053CO 0.05 0.63 0.00 0.00 0.00 0.00 0.00 178.15 178.84 1nuy n ALA 1054N -2.43 2.50 -3.53 1.87 0.00 -0.63 -4.95 120.51 113.34 1nuy n ALA 1054Ca -0.01 -0.59 -0.22 0.00 0.00 0.00 0.00 53.44 52.61 1nuy n ALA 1054Cb 0.65 -1.05 0.08 0.00 0.00 0.00 0.00 19.45 19.12 1nuy n ALA 1054CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1nuy n HIS 1055N 0.47 -2.71 -0.24 0.00 8.25 -0.30 -4.89 115.22 115.79 1nuy n HIS 1055Ca 0.16 0.96 0.11 0.00 -0.26 0.00 0.00 57.72 58.69 1nuy n HIS 1055Cb 0.35 -4.80 0.29 0.00 1.12 0.00 0.00 29.99 26.94 1nuy n HIS 1055CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1nuy n LEU 1056N -4.73 3.76 -4.90 2.41 4.77 0.39 -4.95 117.00 113.75 1nuy n LEU 1056Ca 0.00 -1.92 -0.28 0.00 -0.03 0.00 0.00 56.01 53.78 1nuy n LEU 1056Cb 0.56 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1nuy n LEU 1056CO 0.61 0.92 0.41 -0.31 -1.33 0.00 0.00 177.39 177.69 1nuy s TYR 1057N -1.07 3.52 0.00 -1.77 4.12 -1.26 -4.10 117.35 116.79 1nuy s TYR 1057Ca 0.44 0.87 0.00 0.00 0.02 0.00 0.00 57.07 58.40 1nuy s TYR 1057Cb 0.24 -2.32 0.00 0.00 -1.52 0.00 0.00 41.96 38.35 1nuy s TYR 1057CO 0.31 -0.15 0.00 0.41 0.02 0.00 0.00 175.55 176.14 1nuy n GLY 1058N -1.74 1.14 3.93 0.71 0.00 -1.26 -4.85 105.19 103.12 1nuy n GLY 1058Ca 0.01 -2.20 -0.25 0.00 0.00 0.00 0.00 46.02 43.57 1nuy n GLY 1058CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nuy s ILE 1059N -1.31 5.02 -0.49 -0.61 -4.36 -1.26 -1.74 121.20 116.44 1nuy s ILE 1059Ca 0.00 -0.18 0.23 0.00 -0.26 0.00 0.00 60.65 60.45 1nuy s ILE 1059Cb 0.00 -3.86 0.00 0.00 1.25 0.00 0.00 42.46 39.85 1nuy s ILE 1059CO 0.00 -0.69 1.17 0.00 0.24 0.00 0.00 174.94 175.66 1nuy n ALA 1060N -1.99 2.87 -0.13 2.27 0.00 0.28 -4.38 120.51 119.42 1nuy n ALA 1060Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1nuy n ALA 1060Cb 0.56 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1nuy n ALA 1060CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nuy n GLY 1061N 1.29 0.93 3.29 0.00 0.00 -1.25 -4.99 105.19 104.46 1nuy n GLY 1061Ca 0.02 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1nuy n GLY 1061CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nuy s SER 1062N -2.02 0.49 -0.05 1.61 1.04 -1.26 -5.03 113.70 108.48 1nuy s SER 1062Ca 0.00 -1.41 0.05 0.00 0.48 0.00 0.00 55.95 55.07 1nuy s SER 1062Cb 0.00 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.57 1nuy s SER 1062CO 0.00 -0.96 -0.21 -0.89 0.98 0.00 0.00 173.24 172.16 1nuy s THR 1063N -3.91 2.43 0.80 2.02 2.01 -1.26 0.90 115.64 118.62 1nuy s THR 1063Ca 0.37 -0.95 -0.07 0.00 0.31 0.00 0.00 61.69 61.35 1nuy s THR 1063Cb 0.05 -1.91 0.17 0.00 0.01 0.00 0.00 72.50 70.82 1nuy s THR 1063CO 0.15 0.57 1.09 -0.46 -0.69 0.00 0.00 174.62 175.29 1nuy n ASN 1064N 2.69 0.75 -0.12 3.53 0.23 -0.44 -4.91 115.26 116.98 1nuy n ASN 1064Ca -0.17 -1.80 0.01 0.00 -0.53 0.00 0.00 54.58 52.10 1nuy n ASN 1064Cb 0.52 -0.77 0.31 0.00 -2.08 0.00 0.00 39.78 37.75 1nuy n ASN 1064CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 1nuy h VAL 1065N -1.11 1.16 -0.44 3.53 3.04 -1.91 -2.29 116.25 118.22 1nuy h VAL 1065Ca -0.36 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 64.99 1nuy h VAL 1065Cb 1.14 0.31 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 1nuy h VAL 1065CO 0.32 0.17 0.00 1.07 -1.01 0.00 0.00 177.57 178.11 1nuy n THR 1066N -4.42 1.97 -0.70 3.17 5.66 -1.26 -4.93 114.28 113.77 1nuy n THR 1066Ca 0.06 -1.03 0.00 0.00 -3.05 0.00 0.00 64.05 60.03 1nuy n THR 1066Cb 0.06 -0.28 0.00 0.00 -1.55 0.00 0.00 70.33 68.57 1nuy n THR 1066CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1nuy n GLY 1067N 0.55 0.66 3.84 1.09 0.00 -0.86 -5.06 105.19 105.40 1nuy n GLY 1067Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1nuy n GLY 1067CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nuy s ASP 1068N -2.07 6.36 -0.32 1.61 1.01 -1.26 -4.76 116.67 117.24 1nuy s ASP 1068Ca 0.00 1.60 -0.29 0.00 0.71 0.00 0.00 52.55 54.57 1nuy s ASP 1068Cb 0.00 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.42 1nuy s ASP 1068CO 0.00 -0.77 1.32 -1.10 0.21 0.00 0.00 175.17 174.83 1nuy s GLN 1069N -4.25 3.86 0.08 8.23 -0.21 -1.26 -1.32 119.66 124.78 1nuy s GLN 1069Ca 0.59 1.19 -0.31 0.00 0.02 0.00 0.00 55.36 56.85 1nuy s GLN 1069Cb -0.11 -3.90 -0.07 0.00 1.00 0.00 0.00 33.01 29.93 1nuy s GLN 1069CO 0.36 -1.20 1.27 0.08 -2.12 0.00 0.00 175.29 173.69 1nuy s VAL 1070N 4.55 3.75 0.36 1.09 1.01 0.26 -4.96 120.40 126.46 1nuy s VAL 1070Ca 0.57 1.25 -0.05 0.00 0.00 0.00 0.00 61.98 63.76 1nuy s VAL 1070Cb -0.16 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 1nuy s VAL 1070CO 0.25 0.10 0.64 -0.54 0.00 0.00 0.00 175.10 175.54 1nuy s LYS 1071N 1.09 3.61 0.35 2.72 -0.14 -1.26 0.99 119.74 127.10 1nuy s LYS 1071Ca 0.61 0.06 0.09 0.00 -1.36 0.00 0.00 55.97 55.37 1nuy s LYS 1071Cb -0.32 -2.55 0.81 0.00 -1.68 0.00 0.00 37.83 34.09 1nuy s LYS 1071CO 0.30 0.07 1.86 0.87 -0.76 0.00 0.00 175.35 177.69 1nuy h LYS 1072N 1.11 0.68 0.00 1.68 1.57 -1.54 -1.58 116.57 118.49 1nuy h LYS 1072Ca -0.48 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.16 1nuy h LYS 1072Cb 1.20 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 1nuy h LYS 1072CO 0.64 0.45 -0.50 -0.07 -0.57 0.00 0.00 179.45 179.40 1nuy h LEU 1073N 0.70 0.00 -0.56 2.94 3.38 -1.83 -2.40 115.31 117.55 1nuy h LEU 1073Ca 0.45 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.43 1nuy h LEU 1073Cb 0.72 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1nuy h LEU 1073CO -0.21 0.50 0.36 0.44 0.09 0.00 0.00 178.44 179.62 1nuy h ASP 1074N 0.00 0.62 -0.20 -0.43 3.45 -1.68 -1.02 116.42 117.16 1nuy h ASP 1074Ca -0.00 -0.01 -0.06 0.00 0.43 0.00 0.00 57.03 57.38 1nuy h ASP 1074Cb 1.32 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 39.93 1nuy h ASP 1074CO 0.06 0.45 -0.11 0.58 -1.57 0.00 0.00 179.24 178.65 1nuy h VAL 1075N 0.74 1.31 -0.14 -1.35 2.07 -1.23 -0.58 116.25 117.07 1nuy h VAL 1075Ca 0.21 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1nuy h VAL 1075Cb -0.06 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1nuy h VAL 1075CO -0.06 0.36 0.07 0.25 0.02 0.00 0.00 177.57 178.21 1nuy h LEU 1076N 0.13 0.19 -0.72 2.57 5.85 -1.45 -1.66 115.31 120.21 1nuy h LEU 1076Ca 0.04 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1nuy h LEU 1076Cb 0.60 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1nuy h LEU 1076CO 0.03 0.26 0.35 0.77 -0.34 0.00 0.00 178.44 179.51 1nuy h SER 1077N 0.10 0.94 -0.36 1.25 4.64 -1.19 -1.72 113.55 117.22 1nuy h SER 1077Ca 0.05 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 1nuy h SER 1077Cb 0.12 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 1nuy h SER 1077CO -0.01 0.81 0.19 -1.13 -0.87 0.00 0.00 176.83 175.83 1nuy h ASN 1078N 1.01 0.45 -0.83 4.97 -1.24 -0.95 -0.66 115.58 118.33 1nuy h ASN 1078Ca 0.25 -0.09 -0.00 0.00 0.71 0.00 0.00 56.30 57.16 1nuy h ASN 1078Cb 0.12 -0.11 -0.04 0.00 0.73 0.00 0.00 38.32 39.01 1nuy h ASN 1078CO -0.03 0.41 0.51 0.44 -1.29 0.00 0.00 177.43 177.47 1nuy h ASP 1079N 0.45 0.99 -0.17 1.15 3.45 -1.13 -0.61 116.42 120.56 1nuy h ASP 1079Ca 0.13 -0.06 -0.01 0.00 0.43 0.00 0.00 57.03 57.52 1nuy h ASP 1079Cb 0.07 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.58 1nuy h ASP 1079CO -0.02 0.76 0.08 -0.07 -1.57 0.00 0.00 179.24 178.42 1nuy h LEU 1080N 1.14 0.22 -0.27 1.55 3.38 -1.09 -0.87 115.31 119.38 1nuy h LEU 1080Ca 0.30 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 1nuy h LEU 1080Cb -0.06 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1nuy h LEU 1080CO -0.06 0.28 -0.20 0.58 0.09 0.00 0.00 178.44 179.14 1nuy h VAL 1081N 0.15 1.30 -0.59 1.22 2.07 -0.90 -1.98 116.25 117.52 1nuy h VAL 1081Ca 0.06 -1.34 0.03 0.00 0.82 0.00 0.00 66.70 66.27 1nuy h VAL 1081Cb 0.12 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1nuy h VAL 1081CO -0.01 0.42 0.35 0.40 0.02 0.00 0.00 177.57 178.76 1nuy h ILE 1082N 0.35 1.05 -0.51 4.57 2.04 -1.08 -0.93 117.51 122.99 1nuy h ILE 1082Ca 0.05 -0.24 -0.11 0.00 1.00 0.00 0.00 64.86 65.56 1nuy h ILE 1082Cb 0.74 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1nuy h ILE 1082CO 0.05 0.13 -0.12 0.78 0.00 0.00 0.00 178.15 178.99 1nuy h ASN 1083N 0.69 0.99 -0.01 1.72 2.35 -1.02 -0.50 115.58 119.79 1nuy h ASN 1083Ca 0.24 -0.36 -0.15 0.00 -0.55 0.00 0.00 56.30 55.49 1nuy h ASN 1083Cb 0.05 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 1nuy h ASN 1083CO -0.11 1.12 -0.47 -0.37 -1.65 0.00 0.00 177.43 175.95 1nuy h VAL 1084N 0.85 1.31 -0.40 2.81 -1.51 -1.20 -1.85 116.25 116.26 1nuy h VAL 1084Ca 0.13 -1.68 -0.12 0.00 -1.23 0.00 0.00 66.70 63.80 1nuy h VAL 1084Cb 0.69 1.66 -0.01 0.00 -2.13 0.00 0.00 31.29 31.49 1nuy h VAL 1084CO 0.05 0.53 -0.23 -0.07 -1.23 0.00 0.00 177.57 176.62 1nuy h LEU 1085N 0.45 0.89 -0.60 4.19 3.38 -1.00 -2.20 115.31 120.41 1nuy h LEU 1085Ca 0.03 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.61 1nuy h LEU 1085Cb 0.99 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 1nuy h LEU 1085CO 0.09 1.11 0.35 0.11 0.09 0.00 0.00 178.44 180.19 1nuy h LYS 1086N 0.67 0.66 0.00 1.13 1.57 -0.98 -2.51 116.57 117.11 1nuy h LYS 1086Ca 0.08 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1nuy h LYS 1086Cb 0.79 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1nuy h LYS 1086CO 0.07 0.44 0.00 -1.13 -0.57 0.00 0.00 179.45 178.25 1nuy n SER 1087N -4.77 0.00 0.23 0.86 3.41 -0.71 -3.35 113.62 109.29 1nuy n SER 1087Ca 0.06 0.41 0.15 0.00 -0.26 0.00 0.00 58.87 59.23 1nuy n SER 1087Cb 0.11 -0.46 0.51 0.00 -0.26 0.00 0.00 64.21 64.11 1nuy n SER 1087CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1nuy h SER 1088N 0.00 0.00 -0.81 4.04 4.64 -0.93 -3.47 113.55 117.01 1nuy h SER 1088Ca 0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 1nuy h SER 1088Cb 0.34 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.29 1nuy h SER 1088CO 0.00 0.00 -0.32 0.49 -0.87 0.00 0.00 176.83 176.13 1nuy n PHE 1089N -2.94 0.00 0.35 4.77 3.72 -1.21 -4.69 117.46 117.45 1nuy n PHE 1089Ca 0.02 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.46 1nuy n PHE 1089Cb 0.36 -3.06 0.02 0.00 -0.94 0.00 0.00 39.48 35.86 1nuy n PHE 1089CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1nuy n ALA 1090N 1.32 2.58 -2.35 4.37 0.00 -1.26 -3.51 120.51 121.66 1nuy n ALA 1090Ca -0.17 -0.50 -0.18 0.00 0.00 0.00 0.00 53.44 52.59 1nuy n ALA 1090Cb 0.60 -0.28 -0.10 0.00 0.00 0.00 0.00 19.45 19.67 1nuy n ALA 1090CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1nuy s THR 1091N -0.90 1.65 0.00 0.00 -4.23 -1.26 -0.73 115.64 110.17 1nuy s THR 1091Ca 0.08 -2.14 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 1nuy s THR 1091Cb 0.07 -1.97 0.00 0.00 1.34 0.00 0.00 72.50 71.93 1nuy s THR 1091CO 0.15 -0.58 0.00 0.00 -0.54 0.00 0.00 174.62 173.64 1nuy s VAL 1093N -1.04 0.15 -0.06 0.00 1.01 -1.24 -1.82 120.40 117.39 1nuy s VAL 1093Ca 0.00 0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.09 1nuy s VAL 1093Cb 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 36.38 36.15 1nuy s VAL 1093CO 0.00 0.12 -0.22 -0.76 0.00 0.00 0.00 175.10 174.24 1nuy s LEU 1094N 0.77 2.00 -0.12 3.92 1.43 -0.10 -1.22 118.68 125.36 1nuy s LEU 1094Ca -0.08 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.59 1nuy s LEU 1094Cb -0.11 -1.23 0.01 0.00 0.03 0.00 0.00 46.19 44.90 1nuy s LEU 1094CO -0.01 0.18 -0.21 -0.69 0.23 0.00 0.00 176.35 175.85 1nuy s VAL 1095N 0.07 1.95 0.03 -1.59 1.01 0.05 -0.53 120.40 121.39 1nuy s VAL 1095Ca -0.08 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.05 1nuy s VAL 1095Cb -0.14 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 1nuy s VAL 1095CO 0.04 0.53 -0.20 -0.55 0.00 0.00 0.00 175.10 174.92 1nuy s SER 1096N 0.70 2.41 0.39 3.32 0.15 -1.26 -0.41 113.70 119.00 1nuy s SER 1096Ca -0.11 -0.49 0.19 0.00 0.70 0.00 0.00 55.95 56.24 1nuy s SER 1096Cb -0.16 -0.21 1.13 0.00 -1.71 0.00 0.00 66.02 65.07 1nuy s SER 1096CO 0.01 0.17 1.74 -0.08 1.20 0.00 0.00 173.24 176.29 1nuy h GLU 1097N 5.00 0.35 -0.01 5.44 4.81 -1.84 -2.12 114.58 126.21 1nuy h GLU 1097Ca -0.42 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1nuy h GLU 1097Cb 1.16 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1nuy h GLU 1097CO 0.44 0.23 -0.01 0.39 -0.73 0.00 0.00 179.01 179.34 1nuy n GLU 1098N -4.68 1.37 -5.21 1.92 -0.58 -1.26 -4.56 120.64 107.65 1nuy n GLU 1098Ca 0.27 -0.58 -0.31 0.00 -0.42 0.00 0.00 57.16 56.12 1nuy n GLU 1098Cb 0.95 -1.49 -0.17 0.00 -0.57 0.00 0.00 31.44 30.16 1nuy n GLU 1098CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1nuy s ASP 1099N -2.03 3.01 0.23 1.62 1.01 -0.80 -4.92 116.67 114.79 1nuy s ASP 1099Ca 0.41 -0.53 -0.08 0.00 0.71 0.00 0.00 52.55 53.07 1nuy s ASP 1099Cb 0.21 -1.13 0.27 0.00 1.01 0.00 0.00 42.92 43.28 1nuy s ASP 1099CO 0.36 0.19 1.85 0.50 0.21 0.00 0.00 175.17 178.28 1nuy h LYS 1100N 6.43 0.89 -6.20 8.23 1.63 -1.86 -3.43 116.57 122.27 1nuy h LYS 1100Ca -0.25 -0.05 -0.59 0.00 -0.85 0.00 0.00 60.65 58.91 1nuy h LYS 1100Cb 1.21 -0.20 -0.12 0.00 -0.60 0.00 0.00 32.23 32.52 1nuy h LYS 1100CO 0.47 0.59 -0.71 -0.80 -3.45 0.00 0.00 179.45 175.55 1nuy s ASN 1101N -5.76 4.00 0.50 4.20 -0.87 -1.26 -4.97 114.94 110.78 1nuy s ASN 1101Ca -0.13 -0.87 -0.23 0.00 -1.57 0.00 0.00 52.86 50.06 1nuy s ASN 1101Cb 0.17 -0.53 -0.06 0.00 -0.02 0.00 0.00 41.25 40.81 1nuy s ASN 1101CO 0.78 0.01 1.31 0.00 -2.57 0.00 0.00 177.10 176.63 1nuy s ALA 1102N -2.44 2.93 -0.23 0.60 0.00 -1.26 -4.81 121.76 116.56 1nuy s ALA 1102Ca 0.31 1.24 -0.14 0.00 0.00 0.00 0.00 51.96 53.36 1nuy s ALA 1102Cb -0.05 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 1nuy s ALA 1102CO 0.17 -1.13 0.32 0.42 0.00 0.00 0.00 175.76 175.54 1nuy s ILE 1103N -1.35 5.24 -0.27 0.00 -1.09 0.31 -4.93 121.20 119.12 1nuy s ILE 1103Ca 0.67 0.52 -0.13 0.00 -2.23 0.00 0.00 60.65 59.49 1nuy s ILE 1103Cb -0.37 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 1nuy s ILE 1103CO 0.45 0.26 0.30 -0.63 -1.23 0.00 0.00 174.94 174.09 1nuy s ILE 1104N 1.38 5.23 0.41 2.92 -1.09 -1.26 -0.92 121.20 127.87 1nuy s ILE 1104Ca 0.15 0.40 -0.25 0.00 -2.23 0.00 0.00 60.65 58.72 1nuy s ILE 1104Cb -0.15 -3.63 -0.08 0.00 -1.58 0.00 0.00 42.46 37.03 1nuy s ILE 1104CO 0.07 0.20 1.21 -0.69 -1.23 0.00 0.00 174.94 174.50 1nuy s VAL 1105N 1.92 2.96 0.53 2.92 1.01 -0.76 -4.97 120.40 124.02 1nuy s VAL 1105Ca 0.12 0.81 -0.21 0.00 0.00 0.00 0.00 61.98 62.69 1nuy s VAL 1105Cb -0.16 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 1nuy s VAL 1105CO 0.10 0.07 1.27 -1.83 0.00 0.00 0.00 175.10 174.72 1nuy s GLU 1106N -2.35 3.27 0.31 2.72 -1.05 -1.26 -4.78 118.70 115.56 1nuy s GLU 1106Ca 0.58 2.02 0.08 0.00 -0.15 0.00 0.00 54.97 57.51 1nuy s GLU 1106Cb -0.33 -2.23 0.88 0.00 -0.44 0.00 0.00 34.13 32.01 1nuy s GLU 1106CO 0.41 -1.02 1.69 -1.35 0.95 0.00 0.00 175.26 175.94 1nuy h PRO 1107N 1.50 0.40 0.00 -4.83 0.11 -1.98 -1.35 132.00 125.85 1nuy h PRO 1107Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1nuy h PRO 1107Cb 1.29 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1nuy h PRO 1107CO 0.58 0.27 0.00 0.93 -0.21 0.00 0.00 178.00 179.56 1nuy h GLU 1108N 0.42 0.00 -0.13 1.05 5.08 -2.02 -2.88 114.58 116.10 1nuy h GLU 1108Ca 0.63 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.99 1nuy h GLU 1108Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1nuy h GLU 1108CO -0.55 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.09 1nuy n LYS 1109N -2.98 1.36 -2.51 2.33 5.02 -0.53 -5.03 118.16 115.82 1nuy n LYS 1109Ca 0.01 -1.48 -0.38 0.00 -2.02 0.00 0.00 58.31 54.44 1nuy n LYS 1109Cb 0.30 -1.24 -0.04 0.00 -0.02 0.00 0.00 35.03 34.03 1nuy n LYS 1109CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1nuy s ARG 1110N -0.96 4.37 0.00 1.97 0.52 -1.09 -3.98 118.95 119.78 1nuy s ARG 1110Ca 0.17 1.65 0.00 0.00 -0.52 0.00 0.00 55.73 57.03 1nuy s ARG 1110Cb 0.10 -2.84 0.00 0.00 0.52 0.00 0.00 34.95 32.74 1nuy s ARG 1110CO 0.15 0.01 0.00 0.41 0.02 0.00 0.00 175.30 175.89 1nuy n GLY 1111N 0.74 4.42 0.07 -3.53 0.00 0.06 -4.76 105.19 102.20 1nuy n GLY 1111Ca 0.02 -1.95 0.13 0.00 0.00 0.00 0.00 46.02 44.22 1nuy n GLY 1111CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1nuy n LYS 1112N 0.00 0.29 -3.93 1.61 2.85 -1.07 -3.68 118.16 114.23 1nuy n LYS 1112Ca 0.00 -0.15 -0.26 0.00 -1.05 0.00 0.00 58.31 56.85 1nuy n LYS 1112Cb 0.00 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 32.85 1nuy n LYS 1112CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1nuy s TYR 1113N -2.82 3.49 -0.18 5.58 2.02 0.09 -1.03 117.35 124.50 1nuy s TYR 1113Ca 0.17 0.13 -0.03 0.00 -0.37 0.00 0.00 57.07 56.97 1nuy s TYR 1113Cb 0.18 -1.68 -0.02 0.00 -0.40 0.00 0.00 41.96 40.05 1nuy s TYR 1113CO 0.61 0.51 -0.06 0.08 -1.57 0.00 0.00 175.55 175.12 1nuy s VAL 1114N -1.74 3.44 -0.12 0.71 1.01 0.17 -0.52 120.40 123.35 1nuy s VAL 1114Ca 0.35 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.86 1nuy s VAL 1114Cb -0.11 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.76 1nuy s VAL 1114CO 0.29 0.47 -0.22 -0.69 0.00 0.00 0.00 175.10 174.94 1nuy s VAL 1115N 0.88 1.99 -0.17 2.92 1.01 -0.36 -0.66 120.40 126.00 1nuy s VAL 1115Ca -0.01 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.96 1nuy s VAL 1115Cb -0.15 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 1nuy s VAL 1115CO 0.01 0.54 0.01 0.00 0.00 0.00 0.00 175.10 175.66 1nuy s PHE 1117N 0.49 0.04 -0.36 0.00 -0.71 0.45 -0.59 117.98 117.30 1nuy s PHE 1117Ca -0.00 -0.40 -0.02 0.00 -1.04 0.00 0.00 56.93 55.46 1nuy s PHE 1117Cb -0.14 0.02 0.08 0.00 -1.21 0.00 0.00 43.02 41.78 1nuy s PHE 1117CO 0.02 -0.56 0.12 0.34 -1.34 0.00 0.00 175.22 173.80 1nuy s ASP 1118N -2.70 5.11 0.38 1.98 3.68 -0.12 -2.19 116.67 122.81 1nuy s ASP 1118Ca 0.03 -1.73 0.15 0.00 2.13 0.00 0.00 52.55 53.12 1nuy s ASP 1118Cb 0.03 -1.78 0.78 0.00 -1.45 0.00 0.00 42.92 40.50 1nuy s ASP 1118CO -0.10 -0.43 1.83 1.55 0.13 0.00 0.00 175.17 178.16 1nuy h PRO 1119N 8.02 0.00 -2.77 4.34 0.13 -1.90 -1.01 132.00 138.81 1nuy h PRO 1119Ca -0.16 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.67 1nuy h PRO 1119Cb 1.05 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.83 1nuy h PRO 1119CO 0.63 0.36 -0.62 -1.17 -0.23 0.00 0.00 178.00 176.96 1nuy s LEU 1120N -7.95 -0.11 -0.10 1.56 2.96 -1.26 -4.47 118.68 109.30 1nuy s LEU 1120Ca -0.02 0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 53.93 1nuy s LEU 1120Cb 0.14 0.38 -0.03 0.00 0.50 0.00 0.00 46.19 47.17 1nuy s LEU 1120CO 0.71 -0.29 -0.02 -0.62 -1.32 0.00 0.00 176.35 174.80 1nuy s ASP 1121N 2.32 4.98 0.00 3.68 2.15 0.20 -4.63 116.67 125.38 1nuy s ASP 1121Ca 0.05 0.03 0.00 0.00 0.43 0.00 0.00 52.55 53.06 1nuy s ASP 1121Cb -0.14 -1.48 0.00 0.00 -0.30 0.00 0.00 42.92 41.00 1nuy s ASP 1121CO -0.09 0.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.83 1nuy n GLY 1122N 2.56 1.33 0.31 2.66 0.00 -1.26 -1.32 105.19 109.47 1nuy n GLY 1122Ca -0.18 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.99 1nuy n GLY 1122CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1nuy h SER 1123N 0.00 0.04 0.96 1.61 0.87 -1.90 0.13 113.55 115.26 1nuy h SER 1123Ca 0.00 0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1nuy h SER 1123Cb 0.00 0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1nuy h SER 1123CO 0.00 -0.18 -0.01 0.77 -0.53 0.00 0.00 176.83 176.88 1nuy h SER 1124N 0.20 0.00 -0.05 6.23 4.64 -1.95 -2.71 113.55 119.91 1nuy h SER 1124Ca 0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 1nuy h SER 1124Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1nuy h SER 1124CO -0.67 0.01 0.00 0.59 -0.87 0.00 0.00 176.83 175.89 1nuy n ASN 1125N -3.11 2.21 0.40 4.97 3.02 0.03 -4.60 115.26 118.18 1nuy n ASN 1125Ca 0.00 -1.74 -0.18 0.00 -0.03 0.00 0.00 54.58 52.63 1nuy n ASN 1125Cb 0.30 -0.02 -0.09 0.00 -0.61 0.00 0.00 39.78 39.36 1nuy n ASN 1125CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1nuy h ILE 1126N 3.39 0.25 0.00 2.41 2.04 -1.45 -2.48 117.51 121.67 1nuy h ILE 1126Ca 0.00 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1nuy h ILE 1126Cb 0.72 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1nuy h ILE 1126CO 0.00 0.01 0.00 0.44 0.00 0.00 0.00 178.15 178.60 1nuy h ASP 1127N -1.04 0.00 -0.65 1.72 5.19 -1.81 -2.17 116.42 117.66 1nuy h ASP 1127Ca -0.10 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1nuy h ASP 1127Cb 0.78 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.29 1nuy h ASP 1127CO 0.17 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.29 1nuy n LEU 1129N 1.23 -0.78 -4.84 0.00 4.32 -0.82 -4.99 117.00 111.11 1nuy n LEU 1129Ca 0.24 0.29 -0.32 0.00 -0.02 0.00 0.00 56.01 56.21 1nuy n LEU 1129Cb 0.79 -2.00 -0.02 0.00 -1.62 0.00 0.00 43.42 40.56 1nuy n LEU 1129CO 0.21 -0.70 0.69 -0.69 -1.22 0.00 0.00 177.39 175.68 1nuy s VAL 1130N -2.36 4.47 0.31 4.08 1.01 -0.94 -4.97 120.40 121.99 1nuy s VAL 1130Ca 0.00 1.14 -0.28 0.00 0.00 0.00 0.00 61.98 62.83 1nuy s VAL 1130Cb 0.00 -3.70 -0.13 0.00 0.00 0.00 0.00 36.38 32.55 1nuy s VAL 1130CO 0.00 -0.72 1.16 -1.20 0.00 0.00 0.00 175.10 174.34 1nuy n SER 1131N -1.77 2.05 -3.75 3.32 7.64 -1.26 -4.64 113.62 115.22 1nuy n SER 1131Ca 0.07 1.19 -0.22 0.00 1.01 0.00 0.00 58.87 60.91 1nuy n SER 1131Cb 0.54 -1.38 -0.08 0.00 -1.01 0.00 0.00 64.21 62.27 1nuy n SER 1131CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1nuy s ILE 1132N -0.99 0.28 0.09 0.44 -4.36 -1.15 -4.68 121.20 110.82 1nuy s ILE 1132Ca 0.58 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 58.89 1nuy s ILE 1132Cb -0.64 -2.41 0.03 0.00 1.25 0.00 0.00 42.46 40.69 1nuy s ILE 1132CO 0.60 0.00 0.41 0.61 0.24 0.00 0.00 174.94 176.80 1nuy n GLY 1133N -0.77 1.09 3.00 6.27 0.00 -0.43 -0.13 105.19 114.21 1nuy n GLY 1133Ca 0.01 -1.03 -0.20 0.00 0.00 0.00 0.00 46.02 44.79 1nuy n GLY 1133CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nuy s THR 1134N -2.40 0.78 0.01 2.61 2.01 0.17 0.58 115.64 119.40 1nuy s THR 1134Ca 0.09 -0.35 0.08 0.00 0.31 0.00 0.00 61.69 61.81 1nuy s THR 1134Cb -0.01 -0.70 -0.02 0.00 0.01 0.00 0.00 72.50 71.77 1nuy s THR 1134CO 0.03 0.25 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.33 1nuy s ILE 1135N 0.24 1.91 0.01 1.82 1.01 -0.38 -0.09 121.20 125.72 1nuy s ILE 1135Ca -0.04 -1.13 -0.10 0.00 0.00 0.00 0.00 60.65 59.38 1nuy s ILE 1135Cb -0.09 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.78 1nuy s ILE 1135CO 0.01 0.44 0.21 0.72 0.00 0.00 0.00 174.94 176.32 1nuy s PHE 1136N -0.65 -0.01 -0.01 3.97 -0.71 -0.29 -0.95 117.98 119.33 1nuy s PHE 1136Ca 0.10 -0.08 0.01 0.00 -1.04 0.00 0.00 56.93 55.91 1nuy s PHE 1136Cb -0.09 -0.00 0.01 0.00 -1.21 0.00 0.00 43.02 41.72 1nuy s PHE 1136CO 0.00 -0.37 -0.02 0.20 -1.34 0.00 0.00 175.22 173.69 1nuy s GLY 1137N -1.65 0.19 -0.09 1.99 0.00 0.24 -1.30 107.32 106.71 1nuy s GLY 1137Ca -0.11 -0.05 0.03 0.00 0.00 0.00 0.00 44.72 44.59 1nuy s GLY 1137CO 0.00 0.09 -0.20 -0.42 0.00 0.00 0.00 173.10 172.57 1nuy s ILE 1138N 0.24 1.73 0.28 0.90 1.01 0.97 -0.85 121.20 125.48 1nuy s ILE 1138Ca -0.02 -0.83 0.11 0.00 0.00 0.00 0.00 60.65 59.91 1nuy s ILE 1138Cb -0.05 -1.52 -0.05 0.00 0.01 0.00 0.00 42.46 40.86 1nuy s ILE 1138CO -0.01 0.49 -0.11 -0.31 0.00 0.00 0.00 174.94 175.00 1nuy s TYR 1139N 0.45 2.45 0.01 3.97 2.02 0.16 -0.71 117.35 125.72 1nuy s TYR 1139Ca -0.17 -0.31 -0.15 0.00 -0.37 0.00 0.00 57.07 56.07 1nuy s TYR 1139Cb -0.17 -1.12 -0.06 0.00 -0.40 0.00 0.00 41.96 40.21 1nuy s TYR 1139CO 0.07 0.66 0.42 0.50 -1.57 0.00 0.00 175.55 175.63 1nuy s ARG 1140N -3.59 3.92 0.24 -0.62 3.52 -1.26 -0.66 118.95 120.50 1nuy s ARG 1140Ca 0.31 0.41 -0.30 0.00 -0.13 0.00 0.00 55.73 56.02 1nuy s ARG 1140Cb -0.05 -3.20 -0.10 0.00 -1.56 0.00 0.00 34.95 30.05 1nuy s ARG 1140CO 0.17 0.68 1.42 0.21 -0.81 0.00 0.00 175.30 176.97 1nuy s LYS 1141N -1.16 4.29 -0.05 5.12 2.20 -0.20 -4.84 119.74 125.10 1nuy s LYS 1141Ca 0.25 2.26 0.19 0.00 -0.36 0.00 0.00 55.97 58.31 1nuy s LYS 1141Cb -0.17 -3.13 -0.23 0.00 -1.51 0.00 0.00 37.83 32.80 1nuy s LYS 1141CO 0.14 -0.40 0.47 0.27 -0.36 0.00 0.00 175.35 175.47 1nuy n ASN 1142N 2.46 0.31 -4.79 1.43 6.94 -1.26 -5.00 115.26 115.34 1nuy n ASN 1142Ca 0.07 0.14 -0.23 0.00 -0.02 0.00 0.00 54.58 54.54 1nuy n ASN 1142Cb 0.41 1.00 -0.05 0.00 -2.36 0.00 0.00 39.78 38.77 1nuy n ASN 1142CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1nuy s SER 1143N -5.29 4.75 0.07 0.53 1.04 -1.26 -5.01 113.70 108.53 1nuy s SER 1143Ca -0.07 -0.87 0.23 0.00 0.48 0.00 0.00 55.95 55.73 1nuy s SER 1143Cb 0.09 -0.59 0.15 0.00 0.10 0.00 0.00 66.02 65.77 1nuy s SER 1143CO 0.85 -0.53 1.12 0.35 0.98 0.00 0.00 173.24 176.01 1nuy n THR 1144N -1.34 0.23 -0.85 2.02 -2.24 -1.26 -4.97 114.28 105.86 1nuy n THR 1144Ca 0.00 -0.26 -0.31 0.00 -2.27 0.00 0.00 64.05 61.21 1nuy n THR 1144Cb 0.63 0.09 0.15 0.00 -2.10 0.00 0.00 70.33 69.09 1nuy n THR 1144CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1nuy s ASP 1145N -4.04 3.31 0.23 3.42 1.01 -1.26 -4.89 116.67 114.45 1nuy s ASP 1145Ca 0.04 2.13 -0.31 0.00 0.71 0.00 0.00 52.55 55.12 1nuy s ASP 1145Cb 0.14 -2.56 -0.14 0.00 1.01 0.00 0.00 42.92 41.37 1nuy s ASP 1145CO 0.77 -2.84 1.25 -0.62 0.21 0.00 0.00 175.17 173.95 1nuy n GLU 1146N -4.00 1.63 -1.69 8.23 -0.58 -1.26 -4.87 120.64 118.10 1nuy n GLU 1146Ca 0.11 0.58 -0.39 0.00 -0.42 0.00 0.00 57.16 57.04 1nuy n GLU 1146Cb 0.52 -2.13 0.04 0.00 -0.57 0.00 0.00 31.44 29.30 1nuy n GLU 1146CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1nuy n PRO 1147N 1.64 1.45 -3.88 3.49 -0.04 -1.26 -5.00 135.00 131.40 1nuy n PRO 1147Ca 0.12 0.53 -0.08 0.00 -0.04 0.00 0.00 63.50 64.04 1nuy n PRO 1147Cb 0.29 -2.37 -0.02 0.00 -0.04 0.00 0.00 33.50 31.36 1nuy n PRO 1147CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1nuy s SER 1148N -0.94 -0.18 0.41 3.54 1.04 -1.26 -5.02 113.70 111.28 1nuy s SER 1148Ca 0.71 -0.75 0.19 0.00 0.48 0.00 0.00 55.95 56.58 1nuy s SER 1148Cb -0.45 0.73 1.12 0.00 0.10 0.00 0.00 66.02 67.52 1nuy s SER 1148CO 0.50 -1.37 1.78 -0.08 0.98 0.00 0.00 173.24 175.06 1nuy h GLU 1149N 2.04 0.37 0.00 4.02 4.81 -1.94 0.05 114.58 123.92 1nuy h GLU 1149Ca -0.22 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1nuy h GLU 1149Cb 1.25 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 1nuy h GLU 1149CO 0.28 0.24 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.56 1nuy h LYS 1150N 0.38 0.00 0.00 1.92 3.64 -1.98 -1.06 116.57 119.47 1nuy h LYS 1150Ca 0.59 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.97 1nuy h LYS 1150Cb 1.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.34 1nuy h LYS 1150CO -0.28 0.02 0.00 -0.44 -2.27 0.00 0.00 179.45 176.48 1nuy h ASP 1151N 0.00 0.00 0.40 4.20 3.32 -1.38 -2.08 116.42 120.89 1nuy h ASP 1151Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1nuy h ASP 1151Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1nuy h ASP 1151CO 0.00 0.00 -0.50 0.00 -1.72 0.00 0.00 179.24 177.02 1nuy n ALA 1152N -1.90 3.57 -1.76 3.45 0.00 -0.40 -4.49 120.51 118.98 1nuy n ALA 1152Ca -0.01 -0.39 -0.33 0.00 0.00 0.00 0.00 53.44 52.71 1nuy n ALA 1152Cb 0.11 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 1nuy n ALA 1152CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1nuy n LEU 1153N -1.32 7.14 -4.82 0.00 4.77 -0.78 -4.92 117.00 117.07 1nuy n LEU 1153Ca 0.07 -4.48 -0.29 0.00 -0.03 0.00 0.00 56.01 51.28 1nuy n LEU 1153Cb 0.34 -1.26 -0.06 0.00 -2.33 0.00 0.00 43.42 40.11 1nuy n LEU 1153CO 0.34 1.87 -0.22 -1.10 -1.33 0.00 0.00 177.39 176.94 1nuy s GLN 1154N -1.84 3.01 0.58 3.23 -0.21 -1.26 -4.55 119.66 118.62 1nuy s GLN 1154Ca 0.56 -0.70 -0.18 0.00 0.02 0.00 0.00 55.36 55.05 1nuy s GLN 1154Cb 0.31 -2.76 -0.04 0.00 1.00 0.00 0.00 33.01 31.51 1nuy s GLN 1154CO -0.19 0.54 1.15 -1.25 -2.12 0.00 0.00 175.29 173.43 1nuy s PRO 1155N -2.69 3.12 0.64 2.91 0.04 -1.26 -4.60 135.00 133.16 1nuy s PRO 1155Ca 0.31 1.65 0.38 0.00 0.04 0.00 0.00 61.00 63.39 1nuy s PRO 1155Cb -0.12 -1.97 2.14 0.00 0.04 0.00 0.00 34.50 34.59 1nuy s PRO 1155CO 0.24 -1.05 2.27 0.78 0.04 0.00 0.00 177.00 179.28 1nuy h GLY 1156N 0.89 0.00 2.00 0.56 0.00 -1.62 -1.03 103.07 103.87 1nuy h GLY 1156Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1nuy h GLY 1156CO 0.56 0.00 0.00 0.07 0.00 0.00 0.00 176.54 177.17 1nuy h ARG 1157N 0.00 0.00 -0.01 4.80 0.11 -1.33 0.03 114.38 117.98 1nuy h ARG 1157Ca 0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.09 1nuy h ARG 1157Cb 0.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.21 1nuy h ARG 1157CO -0.00 0.00 -0.04 0.09 0.10 0.00 0.00 179.97 180.12 1nuy n ASN 1158N -2.91 1.03 -4.68 0.08 4.13 -0.39 -4.93 115.26 107.59 1nuy n ASN 1158Ca -0.02 -1.23 -0.40 0.00 1.68 0.00 0.00 54.58 54.60 1nuy n ASN 1158Cb 0.10 0.01 0.02 0.00 -1.54 0.00 0.00 39.78 38.37 1nuy n ASN 1158CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1nuy n LEU 1159N -0.27 4.06 -0.01 3.41 4.77 -0.01 -4.61 117.00 124.34 1nuy n LEU 1159Ca 0.19 1.04 0.08 0.00 -0.03 0.00 0.00 56.01 57.28 1nuy n LEU 1159Cb 0.30 -1.48 -0.12 0.00 -2.33 0.00 0.00 43.42 39.79 1nuy n LEU 1159CO 0.19 -0.91 -0.60 1.33 -1.33 0.00 0.00 177.39 176.07 1nuy n VAL 1160N -0.59 0.00 -3.57 4.08 0.24 0.12 -4.96 118.33 113.64 1nuy n VAL 1160Ca 0.09 -0.33 -0.15 0.00 -2.04 0.00 0.00 64.34 61.90 1nuy n VAL 1160Cb 0.41 0.26 -0.06 0.00 -1.47 0.00 0.00 33.84 32.98 1nuy n VAL 1160CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nuy s ALA 1161N -3.00 -1.80 0.20 2.33 0.00 -1.15 -4.22 121.76 114.12 1nuy s ALA 1161Ca -0.04 1.62 -0.21 0.00 0.00 0.00 0.00 51.96 53.33 1nuy s ALA 1161Cb 0.10 -0.55 0.04 0.00 0.00 0.00 0.00 23.12 22.71 1nuy s ALA 1161CO 0.65 -0.34 0.61 0.00 0.00 0.00 0.00 175.76 176.67 1nuy s ALA 1162N -0.57 -1.30 0.00 0.00 0.00 -0.53 -0.02 121.76 119.34 1nuy s ALA 1162Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.97 1nuy s ALA 1162Cb -0.02 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.96 1nuy s ALA 1162CO 0.05 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.37 1nuy n GLY 1163N -0.39 -0.51 3.54 0.00 0.00 -0.42 -0.52 105.19 106.90 1nuy n GLY 1163Ca -0.12 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 44.86 1nuy n GLY 1163CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1nuy s TYR 1164N -3.00 -0.15 -0.09 1.61 -0.85 -0.57 -1.14 117.35 113.16 1nuy s TYR 1164Ca 0.00 -0.19 0.01 0.00 -0.52 0.00 0.00 57.07 56.37 1nuy s TYR 1164Cb 0.00 0.43 -0.02 0.00 0.38 0.00 0.00 41.96 42.74 1nuy s TYR 1164CO 0.00 -0.94 -0.11 0.00 -1.52 0.00 0.00 175.55 172.98 1nuy s ALA 1165N -3.87 2.77 -0.24 9.51 0.00 0.87 -0.90 121.76 129.90 1nuy s ALA 1165Ca 0.09 -0.91 -0.03 0.00 0.00 0.00 0.00 51.96 51.10 1nuy s ALA 1165Cb -0.01 -1.17 0.01 0.00 0.00 0.00 0.00 23.12 21.94 1nuy s ALA 1165CO -0.03 0.43 -0.04 -1.17 0.00 0.00 0.00 175.76 174.96 1nuy s LEU 1166N -0.30 3.13 -1.16 0.00 2.96 0.31 -0.65 118.68 122.96 1nuy s LEU 1166Ca 0.03 -0.63 -0.11 0.00 -0.22 0.00 0.00 54.13 53.20 1nuy s LEU 1166Cb -0.13 -1.72 0.23 0.00 0.50 0.00 0.00 46.19 45.07 1nuy s LEU 1166CO 0.03 -0.09 1.29 -1.22 -1.32 0.00 0.00 176.35 175.04 1nuy n TYR 1167N 4.75 5.04 -0.50 5.38 4.01 0.82 -1.62 117.16 135.04 1nuy n TYR 1167Ca -0.17 -3.61 0.00 0.00 -0.16 0.00 0.00 57.90 53.96 1nuy n TYR 1167Cb 0.49 -1.93 0.00 0.00 -0.31 0.00 0.00 39.34 37.59 1nuy n TYR 1167CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nuy n GLY 1168N 3.29 4.05 0.29 2.72 0.00 -1.26 -2.94 105.19 111.35 1nuy n GLY 1168Ca 0.30 -1.71 0.18 0.00 0.00 0.00 0.00 46.02 44.79 1nuy n GLY 1168CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1nuy h SER 1169N 0.00 0.00 -4.34 1.61 4.64 -1.98 -3.41 113.55 110.06 1nuy h SER 1169Ca 0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 1nuy h SER 1169Cb 0.00 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 61.94 1nuy h SER 1169CO 0.00 0.04 -0.68 0.00 -0.87 0.00 0.00 176.83 175.32 1nuy s ALA 1170N -3.91 1.38 -0.22 5.18 0.00 -1.26 -5.14 121.76 117.78 1nuy s ALA 1170Ca -0.02 -1.56 -0.12 0.00 0.00 0.00 0.00 51.96 50.26 1nuy s ALA 1170Cb 0.11 0.40 -0.05 0.00 0.00 0.00 0.00 23.12 23.58 1nuy s ALA 1170CO 0.52 -0.26 0.21 0.99 0.00 0.00 0.00 175.76 177.22 1nuy s THR 1171N -3.56 5.34 -0.03 0.00 2.01 -1.26 -4.54 115.64 113.59 1nuy s THR 1171Ca 0.22 0.32 0.06 0.00 0.31 0.00 0.00 61.69 62.59 1nuy s THR 1171Cb 0.05 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 69.00 1nuy s THR 1171CO 0.03 0.35 -0.21 -0.32 -0.69 0.00 0.00 174.62 173.78 1nuy s MET 1172N 0.90 1.85 -0.24 4.92 -2.45 -0.64 -0.85 119.30 122.78 1nuy s MET 1172Ca 0.11 -0.74 -0.05 0.00 -1.25 0.00 0.00 55.69 53.75 1nuy s MET 1172Cb -0.13 -1.70 -0.01 0.00 1.25 0.00 0.00 34.83 34.24 1nuy s MET 1172CO 0.04 0.39 0.01 -1.17 1.05 0.00 0.00 175.02 175.34 1nuy s LEU 1173N -0.32 3.20 -0.19 4.11 1.98 0.11 -0.53 118.68 127.04 1nuy s LEU 1173Ca 0.04 -0.41 -0.04 0.00 -2.89 0.00 0.00 54.13 50.82 1nuy s LEU 1173Cb -0.10 -1.81 -0.02 0.00 0.66 0.00 0.00 46.19 44.92 1nuy s LEU 1173CO 0.01 -0.05 -0.02 0.68 -1.89 0.00 0.00 176.35 175.07 1nuy s VAL 1174N 1.51 3.76 -0.12 1.68 -7.23 -0.08 -0.43 120.40 119.50 1nuy s VAL 1174Ca 0.05 -0.38 0.01 0.00 -1.81 0.00 0.00 61.98 59.85 1nuy s VAL 1174Cb -0.15 -2.69 0.02 0.00 0.56 0.00 0.00 36.38 34.12 1nuy s VAL 1174CO -0.01 0.45 -0.14 -0.22 -0.31 0.00 0.00 175.10 174.87 1nuy s LEU 1175N 0.93 1.65 -0.08 1.32 2.96 -0.54 -1.51 118.68 123.40 1nuy s LEU 1175Ca 0.00 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 1nuy s LEU 1175Cb -0.14 -1.07 -0.02 0.00 0.50 0.00 0.00 46.19 45.45 1nuy s LEU 1175CO 0.01 -0.02 -0.11 0.00 -1.32 0.00 0.00 176.35 174.92 1nuy s ALA 1176N 1.18 2.77 0.17 5.97 0.00 0.32 -1.26 121.76 130.92 1nuy s ALA 1176Ca -0.03 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.06 1nuy s ALA 1176Cb -0.14 -1.16 -0.02 0.00 0.00 0.00 0.00 23.12 21.81 1nuy s ALA 1176CO -0.04 0.45 0.15 -1.33 0.00 0.00 0.00 175.76 174.99 1nuy n MET 1177N 2.70 0.22 -0.33 0.00 2.81 -0.54 -1.45 117.12 120.53 1nuy n MET 1177Ca -0.18 -1.75 0.12 0.00 -1.81 0.00 0.00 57.70 54.08 1nuy n MET 1177Cb 0.53 1.44 0.33 0.00 -0.71 0.00 0.00 33.22 34.81 1nuy n MET 1177CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 1nuy h VAL 1178N 1.56 0.79 -0.81 2.03 3.04 -1.94 -2.05 116.25 118.88 1nuy h VAL 1178Ca -0.12 -0.27 -0.44 0.00 -1.01 0.00 0.00 66.70 64.86 1nuy h VAL 1178Cb 0.63 -0.06 -0.25 0.00 -2.01 0.00 0.00 31.29 29.60 1nuy h VAL 1178CO 0.18 0.14 0.42 0.59 -1.01 0.00 0.00 177.57 177.90 1nuy n ASN 1179N -4.65 3.81 0.00 3.17 5.03 -1.26 -5.04 115.26 116.32 1nuy n ASN 1179Ca 0.21 -3.69 0.00 0.00 0.87 0.00 0.00 54.58 51.97 1nuy n ASN 1179Cb 0.51 -0.78 0.00 0.00 -1.02 0.00 0.00 39.78 38.49 1nuy n ASN 1179CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1nuy n GLY 1180N -1.11 0.82 3.37 7.41 0.00 -0.77 -5.05 105.19 109.87 1nuy n GLY 1180Ca 0.52 -2.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.13 1nuy n GLY 1180CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nuy s VAL 1181N -1.09 2.78 0.03 1.61 1.01 -1.26 -1.47 120.40 122.01 1nuy s VAL 1181Ca 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1nuy s VAL 1181Cb 0.00 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 1nuy s VAL 1181CO 0.00 0.56 -0.06 0.20 0.00 0.00 0.00 175.10 175.80 1nuy s ASN 1182N -0.10 0.67 -0.13 3.32 0.01 -0.39 -0.18 114.94 118.15 1nuy s ASN 1182Ca -0.03 -0.44 -0.00 0.00 -0.71 0.00 0.00 52.86 51.68 1nuy s ASN 1182Cb -0.14 0.03 -0.02 0.00 0.41 0.00 0.00 41.25 41.53 1nuy s ASN 1182CO 0.04 -0.17 -0.13 0.00 -1.51 0.00 0.00 177.10 175.34 1nuy s PHE 1184N 0.33 2.24 -0.15 0.00 0.40 0.42 -1.12 117.98 120.11 1nuy s PHE 1184Ca -0.10 -0.91 -0.07 0.00 -0.60 0.00 0.00 56.93 55.25 1nuy s PHE 1184Cb -0.16 -1.53 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 1nuy s PHE 1184CO 0.06 -0.38 0.11 1.41 0.70 0.00 0.00 175.22 177.11 1nuy s MET 1185N 0.45 3.70 -0.01 0.44 1.75 0.41 0.04 119.30 126.08 1nuy s MET 1185Ca -0.17 -0.22 -0.30 0.00 -1.25 0.00 0.00 55.69 53.74 1nuy s MET 1185Cb -0.17 -3.22 -0.06 0.00 2.84 0.00 0.00 34.83 34.22 1nuy s MET 1185CO 0.07 0.54 1.46 -1.17 -0.65 0.00 0.00 175.02 175.28 1nuy s LEU 1186N -0.37 4.31 -0.50 4.11 2.96 -0.03 -0.68 118.68 128.50 1nuy s LEU 1186Ca 0.11 2.15 -0.23 0.00 -0.22 0.00 0.00 54.13 55.94 1nuy s LEU 1186Cb -0.12 -3.56 0.04 0.00 0.50 0.00 0.00 46.19 43.05 1nuy s LEU 1186CO 0.01 -0.78 0.83 -0.62 -1.32 0.00 0.00 176.35 174.48 1nuy s ASP 1187N 2.17 6.36 0.58 3.68 -1.08 0.20 -4.72 116.67 123.86 1nuy s ASP 1187Ca 0.66 -0.29 0.34 0.00 -0.52 0.00 0.00 52.55 52.73 1nuy s ASP 1187Cb -0.32 -2.39 1.79 0.00 -1.46 0.00 0.00 42.92 40.53 1nuy s ASP 1187CO 0.27 -1.03 2.18 -0.65 0.52 0.00 0.00 175.17 176.45 1nuy h PRO 1188N 9.11 0.00 0.00 4.34 0.11 -1.94 0.79 132.00 144.41 1nuy h PRO 1188Ca -0.26 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.68 1nuy h PRO 1188Cb 1.08 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1nuy h PRO 1188CO 1.01 0.05 -0.85 0.00 -0.21 0.00 0.00 178.00 178.00 1nuy h ALA 1189N 1.95 0.58 -0.00 -0.75 0.00 -1.92 -3.34 119.26 115.79 1nuy h ALA 1189Ca -0.00 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1nuy h ALA 1189Cb 0.22 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1nuy h ALA 1189CO 0.01 1.06 -0.11 0.44 0.00 0.00 0.00 179.25 180.65 1nuy n ILE 1190N -3.50 0.00 -3.26 0.00 -5.35 -1.09 -5.02 119.36 101.12 1nuy n ILE 1190Ca -0.00 -0.44 -0.16 0.00 -0.27 0.00 0.00 62.75 61.87 1nuy n ILE 1190Cb 0.82 1.07 0.07 0.00 -1.74 0.00 0.00 39.64 39.86 1nuy n ILE 1190CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nuy n GLY 1191N 0.69 -0.24 3.05 3.28 0.00 0.25 -5.02 105.19 107.20 1nuy n GLY 1191Ca 0.02 0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.91 1nuy n GLY 1191CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nuy s GLU 1192N -5.50 0.67 -0.25 1.61 0.41 -1.23 -4.98 118.70 109.42 1nuy s GLU 1192Ca 0.20 -0.50 -0.22 0.00 -0.41 0.00 0.00 54.97 54.03 1nuy s GLU 1192Cb -0.09 -0.61 -0.01 0.00 -1.78 0.00 0.00 34.13 31.64 1nuy s GLU 1192CO 0.60 0.15 0.73 -0.06 -0.49 0.00 0.00 175.26 176.19 1nuy s PHE 1193N -0.62 3.29 -0.15 1.61 0.40 -1.26 -0.63 117.98 120.62 1nuy s PHE 1193Ca -0.00 0.95 -0.04 0.00 -0.60 0.00 0.00 56.93 57.24 1nuy s PHE 1193Cb -0.06 -2.95 -0.03 0.00 0.51 0.00 0.00 43.02 40.49 1nuy s PHE 1193CO 0.00 -0.37 -0.01 0.42 0.70 0.00 0.00 175.22 175.96 1nuy s ILE 1194N 2.68 4.18 0.14 0.64 -1.09 0.15 -0.72 121.20 127.18 1nuy s ILE 1194Ca 0.30 -0.26 -0.31 0.00 -2.23 0.00 0.00 60.65 58.15 1nuy s ILE 1194Cb -0.15 -2.83 -0.11 0.00 -1.58 0.00 0.00 42.46 37.79 1nuy s ILE 1194CO 0.08 0.51 1.83 -0.11 -1.23 0.00 0.00 174.94 176.02 1nuy n LEU 1195N 3.24 4.09 0.00 2.97 7.94 0.18 -0.44 117.00 134.98 1nuy n LEU 1195Ca -0.17 1.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.72 1nuy n LEU 1195Cb 0.53 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 42.92 1nuy n LEU 1195CO 0.32 0.20 -0.38 1.33 -1.11 0.00 0.00 177.39 177.76 1nuy n VAL 1196N 4.61 0.00 -3.64 1.96 0.24 -0.27 -4.90 118.33 116.33 1nuy n VAL 1196Ca 0.18 -0.02 -0.20 0.00 -2.04 0.00 0.00 64.34 62.26 1nuy n VAL 1196Cb 0.37 0.43 -0.16 0.00 -1.47 0.00 0.00 33.84 33.01 1nuy n VAL 1196CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1nuy s ASP 1197N -1.54 1.24 -0.11 -1.34 1.01 -1.02 -5.00 116.67 109.91 1nuy s ASP 1197Ca 0.00 0.02 -0.04 0.00 0.71 0.00 0.00 52.55 53.24 1nuy s ASP 1197Cb 0.00 0.04 -0.04 0.00 1.01 0.00 0.00 42.92 43.94 1nuy s ASP 1197CO 0.00 -0.27 0.05 -0.60 0.21 0.00 0.00 175.17 174.56 1nuy s ARG 1198N 2.22 3.27 -1.17 8.23 3.52 -1.26 -1.35 118.95 132.41 1nuy s ARG 1198Ca 0.04 -0.32 -0.13 0.00 -0.13 0.00 0.00 55.73 55.19 1nuy s ARG 1198Cb -0.13 -2.97 -0.02 0.00 -1.56 0.00 0.00 34.95 30.27 1nuy s ARG 1198CO -0.06 0.66 0.78 -3.47 -0.81 0.00 0.00 175.30 172.39 1nuy n ASP 1199N 2.31 -4.42 -4.74 -2.12 4.64 -0.96 -4.87 116.55 106.39 1nuy n ASP 1199Ca -0.19 -0.92 -0.41 0.00 -1.38 0.00 0.00 54.79 51.89 1nuy n ASP 1199Cb 0.54 -3.85 -0.03 0.00 -1.04 0.00 0.00 41.12 36.74 1nuy n ASP 1199CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1nuy s VAL 1200N -3.52 3.04 -0.04 5.18 1.01 0.75 -4.89 120.40 121.92 1nuy s VAL 1200Ca 0.35 0.87 0.04 0.00 0.00 0.00 0.00 61.98 63.23 1nuy s VAL 1200Cb -0.10 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.72 1nuy s VAL 1200CO 0.83 0.14 -0.14 -0.54 0.00 0.00 0.00 175.10 175.39 1nuy s LYS 1201N -0.31 1.49 0.38 2.72 -0.14 -1.26 -4.47 119.74 118.15 1nuy s LYS 1201Ca 0.57 -0.50 -0.24 0.00 -1.36 0.00 0.00 55.97 54.44 1nuy s LYS 1201Cb -0.38 -1.32 -0.10 0.00 -1.68 0.00 0.00 37.83 34.35 1nuy s LYS 1201CO 0.40 0.19 0.98 -1.50 -0.76 0.00 0.00 175.35 174.67 1nuy s ILE 1202N 0.10 4.11 0.61 2.17 2.07 0.09 -4.99 121.20 125.37 1nuy s ILE 1202Ca -0.04 1.56 -0.19 0.00 -1.41 0.00 0.00 60.65 60.57 1nuy s ILE 1202Cb -0.11 -3.78 -0.03 0.00 0.13 0.00 0.00 42.46 38.68 1nuy s ILE 1202CO 0.02 -0.05 1.26 -1.59 -1.91 0.00 0.00 174.94 172.67 1nuy s LYS 1203N -2.56 2.79 0.35 3.50 -2.85 -1.26 -4.88 119.74 114.83 1nuy s LYS 1203Ca 0.56 1.97 0.09 0.00 -1.00 0.00 0.00 55.97 57.60 1nuy s LYS 1203Cb -0.17 -1.92 0.66 0.00 -2.06 0.00 0.00 37.83 34.35 1nuy s LYS 1203CO 0.21 -1.39 1.82 0.87 0.10 0.00 0.00 175.35 176.97 1nuy h LYS 1204N 0.77 0.17 -3.17 1.78 1.79 -1.95 -3.39 116.57 112.57 1nuy h LYS 1204Ca -0.51 -0.06 -0.19 0.00 -2.18 0.00 0.00 60.65 57.71 1nuy h LYS 1204Cb 1.32 -0.01 -0.28 0.00 -1.58 0.00 0.00 32.23 31.67 1nuy h LYS 1204CO 0.54 0.45 -0.50 0.21 -1.08 0.00 0.00 179.45 179.07 1nuy s LYS 1205N -4.39 0.21 0.00 3.15 2.20 -1.26 -0.86 119.74 118.78 1nuy s LYS 1205Ca -0.04 0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.94 1nuy s LYS 1205Cb 0.14 -0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 1nuy s LYS 1205CO 0.74 -0.09 0.00 0.41 -0.36 0.00 0.00 175.35 176.05 1nuy n GLY 1206N 3.57 4.70 0.55 5.54 0.00 -1.26 -4.77 105.19 113.52 1nuy n GLY 1206Ca -0.19 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.77 1nuy n GLY 1206CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nuy n SER 1207N -0.45 0.03 -3.96 1.61 3.41 -1.26 -4.78 113.62 108.23 1nuy n SER 1207Ca 0.00 -1.80 -0.20 0.00 -0.26 0.00 0.00 58.87 56.61 1nuy n SER 1207Cb 0.00 -0.16 -0.16 0.00 -0.26 0.00 0.00 64.21 63.63 1nuy n SER 1207CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1nuy s ILE 1208N 0.00 0.66 0.02 -1.33 1.01 -1.26 -1.10 121.20 119.20 1nuy s ILE 1208Ca 0.02 -0.26 0.07 0.00 0.00 0.00 0.00 60.65 60.48 1nuy s ILE 1208Cb 0.02 -0.62 -0.03 0.00 0.01 0.00 0.00 42.46 41.84 1nuy s ILE 1208CO -0.01 0.23 -0.19 -0.72 0.00 0.00 0.00 174.94 174.25 1nuy s TYR 1209N 0.44 2.53 -0.22 3.97 1.13 -0.55 -1.70 117.35 122.96 1nuy s TYR 1209Ca -0.06 -0.27 -0.02 0.00 -1.41 0.00 0.00 57.07 55.30 1nuy s TYR 1209Cb -0.10 -1.48 0.07 0.00 -1.10 0.00 0.00 41.96 39.34 1nuy s TYR 1209CO 0.00 0.20 0.04 0.45 -2.51 0.00 0.00 175.55 173.73 1nuy s SER 1210N -1.23 3.17 0.01 -0.18 0.15 -0.31 -2.20 113.70 113.10 1nuy s SER 1210Ca 0.13 -0.97 -0.27 0.00 0.70 0.00 0.00 55.95 55.54 1nuy s SER 1210Cb -0.10 -0.69 0.07 0.00 -1.71 0.00 0.00 66.02 63.59 1nuy s SER 1210CO 0.04 -0.32 0.63 -0.51 1.20 0.00 0.00 173.24 174.28 1nuy s ILE 1211N 1.78 0.01 -0.63 6.45 2.07 -1.26 -0.44 121.20 129.18 1nuy s ILE 1211Ca 0.00 -0.05 -0.24 0.00 -1.41 0.00 0.00 60.65 58.95 1nuy s ILE 1211Cb -0.17 -0.98 0.05 0.00 0.13 0.00 0.00 42.46 41.48 1nuy s ILE 1211CO -0.11 -0.03 1.01 0.21 -1.91 0.00 0.00 174.94 174.12 1nuy s ASN 1212N -1.67 6.24 0.00 4.50 3.84 -1.26 -4.82 114.94 121.77 1nuy s ASN 1212Ca -0.07 -0.62 0.28 0.00 0.21 0.00 0.00 52.86 52.65 1nuy s ASN 1212Cb -0.00 -2.45 1.65 0.00 -0.55 0.00 0.00 41.25 39.89 1nuy s ASN 1212CO 0.03 -1.42 1.99 -0.62 -2.79 0.00 0.00 177.10 174.29 1nuy n GLU 1213N 7.90 0.86 0.24 0.43 1.02 -1.26 -2.59 120.64 127.24 1nuy n GLU 1213Ca -0.00 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.30 1nuy n GLU 1213Cb 0.47 -1.50 0.86 0.00 -0.02 0.00 0.00 31.44 31.25 1nuy n GLU 1213CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1nuy h GLY 1214N 4.32 0.00 -2.03 0.62 0.00 -2.07 -1.05 103.07 102.87 1nuy h GLY 1214Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1nuy h GLY 1214CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 1nuy n TYR 1215N -2.63 0.89 -0.31 5.60 4.01 -1.07 -4.58 117.16 119.07 1nuy n TYR 1215Ca -0.02 -0.35 0.11 0.00 -0.16 0.00 0.00 57.90 57.47 1nuy n TYR 1215Cb 0.07 -0.17 0.33 0.00 -0.31 0.00 0.00 39.34 39.26 1nuy n TYR 1215CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1nuy h ALA 1216N 3.49 1.71 0.00 -0.72 0.00 -1.43 0.67 119.26 122.98 1nuy h ALA 1216Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1nuy h ALA 1216Cb 0.96 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1nuy h ALA 1216CO 0.14 0.02 -0.03 -0.22 0.00 0.00 0.00 179.25 179.16 1nuy h LYS 1217N 0.80 0.00 0.00 0.00 3.64 -1.86 -2.66 116.57 116.49 1nuy h LYS 1217Ca 0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.86 1nuy h LYS 1217Cb 0.68 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1nuy h LYS 1217CO -0.25 0.03 -0.94 0.39 -2.27 0.00 0.00 179.45 176.41 1nuy n GLU 1218N -3.35 1.07 -2.08 1.90 4.71 0.19 -4.97 120.64 118.10 1nuy n GLU 1218Ca -0.02 -0.02 -0.36 0.00 -0.01 0.00 0.00 57.16 56.75 1nuy n GLU 1218Cb 0.14 -1.35 0.02 0.00 -1.01 0.00 0.00 31.44 29.25 1nuy n GLU 1218CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1nuy s PHE 1219N -2.74 2.47 0.87 -0.32 0.08 -0.97 -0.93 117.98 116.44 1nuy s PHE 1219Ca 0.05 1.52 -0.12 0.00 0.12 0.00 0.00 56.93 58.51 1nuy s PHE 1219Cb 0.13 -3.44 0.11 0.00 -0.57 0.00 0.00 43.02 39.25 1nuy s PHE 1219CO 0.73 -2.05 1.10 0.16 -0.10 0.00 0.00 175.22 175.06 1nuy s ASP 1220N -1.61 3.80 0.53 1.36 1.47 -1.26 -4.84 116.67 116.12 1nuy s ASP 1220Ca 0.76 1.29 0.26 0.00 1.18 0.00 0.00 52.55 56.04 1nuy s ASP 1220Cb -0.29 -1.98 1.48 0.00 -0.34 0.00 0.00 42.92 41.79 1nuy s ASP 1220CO 0.32 -2.41 2.11 -0.65 0.68 0.00 0.00 175.17 175.22 1nuy h PRO 1221N -1.39 0.00 -0.02 2.11 0.11 -1.99 -1.97 132.00 128.85 1nuy h PRO 1221Ca -0.49 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1nuy h PRO 1221Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1nuy h PRO 1221CO 0.58 0.10 -0.09 0.00 -0.21 0.00 0.00 178.00 178.38 1nuy h ALA 1222N 1.90 0.03 -0.90 -0.75 0.00 -1.92 -0.52 119.26 117.11 1nuy h ALA 1222Ca -0.00 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.58 1nuy h ALA 1222Cb 0.24 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1nuy h ALA 1222CO 0.01 -0.06 0.58 0.82 0.00 0.00 0.00 179.25 180.60 1nuy h ILE 1223N -0.55 1.11 -0.52 0.00 1.08 -1.92 -0.43 117.51 116.28 1nuy h ILE 1223Ca -0.01 -0.37 0.01 0.00 -0.39 0.00 0.00 64.86 64.10 1nuy h ILE 1223Cb 0.77 -0.07 -0.03 0.00 -3.07 0.00 0.00 36.82 34.42 1nuy h ILE 1223CO 0.02 0.20 0.33 0.74 -0.69 0.00 0.00 178.15 178.75 1nuy h THR 1224N 1.09 1.10 -0.54 -0.27 2.02 -1.27 -0.14 112.91 114.90 1nuy h THR 1224Ca 0.37 -0.23 -0.09 0.00 0.77 0.00 0.00 66.41 67.23 1nuy h THR 1224Cb 0.07 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 1nuy h THR 1224CO -0.14 0.12 0.00 -0.08 0.37 0.00 0.00 175.52 175.80 1nuy h GLU 1225N 0.68 0.94 -0.36 6.66 4.81 -0.66 -2.15 114.58 124.51 1nuy h GLU 1225Ca 0.20 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1nuy h GLU 1225Cb -0.04 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1nuy h GLU 1225CO -0.06 0.96 0.15 -0.92 -0.73 0.00 0.00 179.01 178.40 1nuy h TYR 1226N 0.82 0.54 -0.83 0.92 3.20 -0.69 -1.68 116.97 119.26 1nuy h TYR 1226Ca 0.15 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 1nuy h TYR 1226Cb 0.53 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 1nuy h TYR 1226CO 0.04 0.49 0.46 0.82 -1.64 0.00 0.00 178.16 178.33 1nuy h ILE 1227N 0.44 1.24 -0.68 1.81 2.04 -0.92 -1.49 117.51 119.95 1nuy h ILE 1227Ca 0.12 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 1nuy h ILE 1227Cb 0.17 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 1nuy h ILE 1227CO -0.01 0.27 0.38 -0.61 0.00 0.00 0.00 178.15 178.18 1nuy h GLN 1228N 1.15 0.93 -0.06 2.37 5.75 -1.10 -1.78 115.11 122.38 1nuy h GLN 1228Ca 0.29 -0.09 -0.09 0.00 -0.15 0.00 0.00 58.65 58.61 1nuy h GLN 1228Cb 0.03 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.37 1nuy h GLN 1228CO -0.05 0.68 -0.37 -0.09 -2.65 0.00 0.00 178.83 176.35 1nuy h ARG 1229N 0.94 0.12 -0.01 1.69 1.12 -0.68 0.25 114.38 117.82 1nuy h ARG 1229Ca 0.24 -0.05 -0.15 0.00 -1.11 0.00 0.00 59.98 58.91 1nuy h ARG 1229Cb 0.01 -0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 29.94 1nuy h ARG 1229CO -0.04 0.48 -0.68 0.87 -3.11 0.00 0.00 179.97 177.48 1nuy h LYS 1230N 0.11 0.04 0.05 0.20 1.79 -0.43 -2.86 116.57 115.46 1nuy h LYS 1230Ca 0.01 -0.03 -0.28 0.00 -2.18 0.00 0.00 60.65 58.17 1nuy h LYS 1230Cb 0.70 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.33 1nuy h LYS 1230CO 0.05 0.71 -1.49 0.87 -1.08 0.00 0.00 179.45 178.51 1nuy h LYS 1231N 0.03 0.10 -2.27 3.15 1.57 -1.12 -1.20 116.57 116.82 1nuy h LYS 1231Ca -0.01 -0.18 -0.59 0.00 -1.87 0.00 0.00 60.65 58.00 1nuy h LYS 1231Cb 1.21 0.07 -0.41 0.00 0.08 0.00 0.00 32.23 33.18 1nuy h LYS 1231CO 0.09 0.88 -0.81 1.19 -0.57 0.00 0.00 179.45 180.23 1nuy n PHE 1232N -3.29 1.70 -1.90 -1.35 3.01 0.05 -4.71 117.46 110.98 1nuy n PHE 1232Ca -0.14 -3.88 -0.41 0.00 1.01 0.00 0.00 57.45 54.03 1nuy n PHE 1232Cb 1.02 -0.40 -0.02 0.00 -0.01 0.00 0.00 39.48 40.07 1nuy n PHE 1232CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 1nuy s PRO 1233N -1.60 4.19 0.49 -1.08 0.02 -1.08 -4.56 135.00 131.38 1nuy s PRO 1233Ca 0.35 2.44 0.32 0.00 0.02 0.00 0.00 61.00 64.14 1nuy s PRO 1233Cb 0.12 -3.06 1.35 0.00 0.02 0.00 0.00 34.50 32.93 1nuy s PRO 1233CO -0.09 -0.51 1.94 -1.00 -0.33 0.00 0.00 177.00 177.01 1nuy h PRO 1234N 4.72 0.00 -0.63 5.54 0.13 -1.95 -2.54 132.00 137.28 1nuy h PRO 1234Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1nuy h PRO 1234Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1nuy h PRO 1234CO 0.77 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.14 1nuy n ASP 1235N -2.88 4.55 -1.94 1.44 3.85 -1.26 -4.96 116.55 115.36 1nuy n ASP 1235Ca 0.01 -2.40 -0.16 0.00 -0.71 0.00 0.00 54.79 51.52 1nuy n ASP 1235Cb 0.27 -0.55 -0.04 0.00 -1.35 0.00 0.00 41.12 39.45 1nuy n ASP 1235CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1nuy n ASN 1236N 1.08 -4.57 -4.46 -1.12 2.85 -0.96 -4.98 115.26 103.10 1nuy n ASN 1236Ca 0.25 0.25 -0.29 0.00 -0.11 0.00 0.00 54.58 54.68 1nuy n ASN 1236Cb 0.84 -3.99 0.16 0.00 1.24 0.00 0.00 39.78 38.03 1nuy n ASN 1236CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1nuy s SER 1237N -2.22 3.11 0.27 1.20 1.04 -1.26 -4.99 113.70 110.86 1nuy s SER 1237Ca 0.00 0.68 -0.29 0.00 0.48 0.00 0.00 55.95 56.82 1nuy s SER 1237Cb 0.00 -1.04 -0.10 0.00 0.10 0.00 0.00 66.02 64.98 1nuy s SER 1237CO 0.00 -2.77 1.29 0.00 0.98 0.00 0.00 173.24 172.74 1nuy s ALA 1238N -3.45 3.50 0.62 5.32 0.00 -1.26 -4.66 121.76 121.83 1nuy s ALA 1238Ca 0.68 1.15 -0.18 0.00 0.00 0.00 0.00 51.96 53.61 1nuy s ALA 1238Cb -0.10 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 1nuy s ALA 1238CO 0.53 -0.54 1.05 -2.30 0.00 0.00 0.00 175.76 174.51 1nuy n PRO 1239N 1.68 0.93 -2.09 0.00 -0.02 -1.26 -4.94 135.00 129.30 1nuy n PRO 1239Ca 0.03 0.37 -0.35 0.00 -2.02 0.00 0.00 63.50 61.52 1nuy n PRO 1239Cb 0.42 -2.27 0.02 0.00 -0.02 0.00 0.00 33.50 31.65 1nuy n PRO 1239CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1nuy s TYR 1240N -1.49 2.59 0.55 6.00 1.51 -0.45 -5.03 117.35 121.03 1nuy s TYR 1240Ca 0.78 1.54 -0.12 0.00 -1.01 0.00 0.00 57.07 58.26 1nuy s TYR 1240Cb -0.40 -3.31 -0.06 0.00 -0.11 0.00 0.00 41.96 38.09 1nuy s TYR 1240CO 0.45 -1.74 0.97 0.20 -1.11 0.00 0.00 175.55 174.31 1nuy s GLY 1241N -1.91 1.81 -0.09 0.71 0.00 -0.26 -4.84 107.32 102.75 1nuy s GLY 1241Ca 0.72 -0.04 -0.00 0.00 0.00 0.00 0.00 44.72 45.40 1nuy s GLY 1241CO 0.31 0.22 -0.06 0.00 0.00 0.00 0.00 173.10 173.57 1nuy s ALA 1242N -2.88 2.98 -0.03 3.20 0.00 -1.26 -1.49 121.76 122.28 1nuy s ALA 1242Ca 0.55 -0.87 -0.01 0.00 0.00 0.00 0.00 51.96 51.63 1nuy s ALA 1242Cb -0.10 -1.31 0.02 0.00 0.00 0.00 0.00 23.12 21.73 1nuy s ALA 1242CO 0.43 0.48 0.06 1.03 0.00 0.00 0.00 175.76 177.76 1nuy s ARG 1243N -0.50 0.02 -0.33 0.00 1.81 -0.94 -4.96 118.95 114.06 1nuy s ARG 1243Ca 0.07 0.18 0.03 0.00 -1.72 0.00 0.00 55.73 54.29 1nuy s ARG 1243Cb -0.12 -0.13 0.16 0.00 -0.45 0.00 0.00 34.95 34.41 1nuy s ARG 1243CO 0.02 -0.11 0.41 -0.47 -0.68 0.00 0.00 175.30 174.47 1nuy s TYR 1244N 0.70 -0.81 0.24 -0.53 5.04 -1.26 -4.01 117.35 116.71 1nuy s TYR 1244Ca -0.06 -0.08 0.00 0.00 -2.44 0.00 0.00 57.07 54.50 1nuy s TYR 1244Cb -0.08 -0.22 0.27 0.00 0.35 0.00 0.00 41.96 42.28 1nuy s TYR 1244CO -0.02 -0.99 1.62 -0.39 -1.34 0.00 0.00 175.55 174.42 1nuy h VAL 1245N 5.73 1.30 0.00 3.14 -1.51 -1.98 -3.47 116.25 119.46 1nuy h VAL 1245Ca -0.04 -1.53 0.00 0.00 -1.23 0.00 0.00 66.70 63.91 1nuy h VAL 1245Cb 1.10 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 31.80 1nuy h VAL 1245CO 0.24 0.48 0.00 0.61 -1.23 0.00 0.00 177.57 177.67 1nuy n GLY 1246N -0.09 0.72 3.20 5.19 0.00 -1.26 -5.00 105.19 107.96 1nuy n GLY 1246Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1nuy n GLY 1246CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nuy s SER 1247N -2.58 3.56 0.27 1.61 0.01 -1.26 -4.79 113.70 110.52 1nuy s SER 1247Ca 0.00 -0.54 -0.01 0.00 1.31 0.00 0.00 55.95 56.70 1nuy s SER 1247Cb 0.00 -1.57 0.48 0.00 0.21 0.00 0.00 66.02 65.14 1nuy s SER 1247CO 0.00 0.01 1.83 -0.03 0.41 0.00 0.00 173.24 175.45 1nuy h MET 1248N 7.89 0.89 -0.72 12.44 4.05 -1.94 -1.18 114.93 136.38 1nuy h MET 1248Ca -0.42 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 58.92 1nuy h MET 1248Cb 1.15 -0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 31.72 1nuy h MET 1248CO 0.62 0.59 0.38 0.28 0.23 0.00 0.00 176.91 179.01 1nuy h VAL 1249N 0.92 1.22 -0.13 -5.77 2.07 -1.94 0.94 116.25 113.56 1nuy h VAL 1249Ca 0.46 -0.57 -0.19 0.00 0.82 0.00 0.00 66.70 67.21 1nuy h VAL 1249Cb 0.43 0.26 0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1nuy h VAL 1249CO -0.26 0.25 -0.67 0.00 0.02 0.00 0.00 177.57 176.92 1nuy h ALA 1250N 1.41 0.25 -0.44 1.67 0.00 -1.57 -0.59 119.26 119.99 1nuy h ALA 1250Ca 0.25 -0.56 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 1nuy h ALA 1250Cb 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1nuy h ALA 1250CO -0.04 0.55 -0.29 -0.44 0.00 0.00 0.00 179.25 179.03 1nuy h ASP 1251N 0.36 1.02 -0.49 0.00 3.32 -1.12 -1.50 116.42 118.01 1nuy h ASP 1251Ca -0.05 -0.43 -0.13 0.00 0.02 0.00 0.00 57.03 56.45 1nuy h ASP 1251Cb 1.30 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1nuy h ASP 1251CO 0.14 1.23 -0.18 0.58 -1.72 0.00 0.00 179.24 179.29 1nuy h VAL 1252N 0.82 1.27 -0.55 -1.35 2.07 -0.84 -1.48 116.25 116.18 1nuy h VAL 1252Ca 0.09 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.23 1nuy h VAL 1252Cb 0.88 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1nuy h VAL 1252CO 0.08 0.47 0.20 -0.74 0.02 0.00 0.00 177.57 177.60 1nuy h HIS 1253N 0.87 0.84 -0.79 1.57 -0.00 -0.94 0.85 115.15 117.55 1nuy h HIS 1253Ca 0.12 -0.07 -0.01 0.00 -0.00 0.00 0.00 60.37 60.41 1nuy h HIS 1253Cb 0.75 -0.25 -0.04 0.00 -0.00 0.00 0.00 27.41 27.87 1nuy h HIS 1253CO 0.05 0.70 0.46 -0.09 -0.00 0.00 0.00 177.93 179.05 1nuy h ARG 1254N 0.75 1.08 -0.79 5.26 2.43 -1.23 -1.58 114.38 120.30 1nuy h ARG 1254Ca 0.18 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 1nuy h ARG 1254Cb 0.22 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 1nuy h ARG 1254CO -0.01 0.77 0.33 1.15 -1.51 0.00 0.00 179.97 180.70 1nuy h THR 1255N 1.10 1.26 -0.18 0.20 2.02 -0.22 0.13 112.91 117.21 1nuy h THR 1255Ca 0.28 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1nuy h THR 1255Cb -0.02 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 1nuy h THR 1255CO -0.05 0.33 0.11 0.25 0.37 0.00 0.00 175.52 176.53 1nuy h LEU 1256N 1.14 0.21 0.00 2.58 7.12 -0.28 0.15 115.31 126.24 1nuy h LEU 1256Ca 0.27 -0.02 -0.03 0.00 0.13 0.00 0.00 57.88 58.22 1nuy h LEU 1256Cb 0.19 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.26 1nuy h LEU 1256CO -0.03 0.17 -1.18 1.33 -0.13 0.00 0.00 178.44 178.61 1nuy n VAL 1257N -4.95 0.68 0.28 1.05 0.24 -0.65 -4.13 118.33 110.85 1nuy n VAL 1257Ca -0.04 -0.57 0.05 0.00 -2.04 0.00 0.00 64.34 61.74 1nuy n VAL 1257Cb 0.04 -0.38 -0.07 0.00 -1.47 0.00 0.00 33.84 31.96 1nuy n VAL 1257CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1nuy n TYR 1258N -2.68 0.00 0.00 6.34 0.53 0.43 -4.97 117.16 116.81 1nuy n TYR 1258Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.86 1nuy n TYR 1258Cb 0.61 -0.10 0.00 0.00 -1.03 0.00 0.00 39.34 38.82 1nuy n TYR 1258CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1nuy n GLY 1259N 1.51 -1.17 0.00 2.72 0.00 0.54 -4.72 105.19 104.07 1nuy n GLY 1259Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1nuy n GLY 1259CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nuy n GLY 1260N -1.22 -0.14 2.92 -0.02 0.00 -1.26 -4.55 105.19 100.92 1nuy n GLY 1260Ca 0.00 -2.04 -0.12 0.00 0.00 0.00 0.00 46.02 43.86 1nuy n GLY 1260CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1nuy s ILE 1261N 0.00 0.11 -0.06 -0.61 2.07 -0.69 -0.41 121.20 121.61 1nuy s ILE 1261Ca 0.00 -0.31 0.06 0.00 -1.41 0.00 0.00 60.65 58.99 1nuy s ILE 1261Cb 0.00 -0.15 -0.01 0.00 0.13 0.00 0.00 42.46 42.43 1nuy s ILE 1261CO 0.00 -0.13 -0.25 0.12 -1.91 0.00 0.00 174.94 172.77 1nuy s PHE 1262N -0.45 2.44 -0.04 3.50 5.36 0.05 -1.16 117.98 127.67 1nuy s PHE 1262Ca -0.04 -0.74 0.02 0.00 -0.96 0.00 0.00 56.93 55.21 1nuy s PHE 1262Cb -0.03 -1.60 0.01 0.00 -0.34 0.00 0.00 43.02 41.06 1nuy s PHE 1262CO -0.00 -0.23 -0.08 -1.64 -1.46 0.00 0.00 175.22 171.81 1nuy s MET 1263N -0.14 1.12 -0.45 10.12 -1.94 0.41 -0.73 119.30 127.68 1nuy s MET 1263Ca -0.04 -0.25 0.05 0.00 -1.71 0.00 0.00 55.69 53.73 1nuy s MET 1263Cb -0.14 -1.01 0.19 0.00 2.01 0.00 0.00 34.83 35.88 1nuy s MET 1263CO 0.04 0.01 0.41 0.98 -0.01 0.00 0.00 175.02 176.45 1nuy n TYR 1264N 3.74 -0.18 -2.12 -0.03 4.19 0.10 -4.46 117.16 118.39 1nuy n TYR 1264Ca -0.23 -3.50 -0.28 0.00 3.31 0.00 0.00 57.90 57.21 1nuy n TYR 1264Cb 0.52 0.01 0.13 0.00 0.49 0.00 0.00 39.34 40.49 1nuy n TYR 1264CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 1nuy s PRO 1265N -0.47 1.37 0.75 2.98 0.04 -1.26 -1.45 135.00 136.97 1nuy s PRO 1265Ca 0.33 -0.46 -0.12 0.00 0.04 0.00 0.00 61.00 60.79 1nuy s PRO 1265Cb 0.06 -2.03 0.05 0.00 0.04 0.00 0.00 34.50 32.62 1nuy s PRO 1265CO -0.17 -1.85 1.11 0.00 0.04 0.00 0.00 177.00 176.12 1nuy s ALA 1266N -3.55 2.23 0.34 8.56 0.00 -1.26 -4.37 121.76 123.70 1nuy s ALA 1266Ca 0.68 0.40 -0.04 0.00 0.00 0.00 0.00 51.96 53.00 1nuy s ALA 1266Cb -0.07 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.75 1nuy s ALA 1266CO 0.49 -1.74 0.49 0.54 0.00 0.00 0.00 175.76 175.54 1nuy s ASN 1267N -3.05 0.75 0.43 0.00 2.20 -0.43 -4.55 114.94 110.29 1nuy s ASN 1267Ca 0.64 -1.41 0.30 0.00 -0.94 0.00 0.00 52.86 51.44 1nuy s ASN 1267Cb -0.19 0.67 1.43 0.00 -2.00 0.00 0.00 41.25 41.16 1nuy s ASN 1267CO 0.52 -1.30 1.90 0.07 -2.94 0.00 0.00 177.10 175.34 1nuy h LYS 1268N 2.12 0.00 0.00 3.55 -0.00 -1.37 -1.84 116.57 119.04 1nuy h LYS 1268Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.37 1nuy h LYS 1268Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.47 1nuy h LYS 1268CO 0.39 0.00 -0.93 1.63 -0.00 0.00 0.00 179.45 180.54 1nuy n LYS 1269N -2.61 1.39 -3.38 0.07 5.02 -1.26 -4.85 118.16 112.54 1nuy n LYS 1269Ca -0.00 -0.02 -0.24 0.00 -2.02 0.00 0.00 58.31 56.02 1nuy n LYS 1269Cb 0.16 -1.30 -0.10 0.00 -0.02 0.00 0.00 35.03 33.77 1nuy n LYS 1269CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1nuy s SER 1270N -2.77 1.82 0.60 4.39 0.01 -0.69 -5.01 113.70 112.06 1nuy s SER 1270Ca 0.04 -2.28 0.38 0.00 1.31 0.00 0.00 55.95 55.40 1nuy s SER 1270Cb 0.12 -0.05 1.88 0.00 0.21 0.00 0.00 66.02 68.19 1nuy s SER 1270CO 0.68 -0.24 2.18 -0.65 0.41 0.00 0.00 173.24 175.62 1nuy h PRO 1271N 6.50 0.00 -0.11 12.44 0.11 -1.89 -0.84 132.00 148.22 1nuy h PRO 1271Ca 0.12 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 1nuy h PRO 1271Cb 0.98 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 1nuy h PRO 1271CO 0.26 0.01 -0.00 0.36 -0.21 0.00 0.00 178.00 178.42 1nuy n LYS 1272N -3.15 1.94 0.00 1.05 2.85 -1.26 -4.76 118.16 114.83 1nuy n LYS 1272Ca -0.01 -2.70 0.00 0.00 -1.05 0.00 0.00 58.31 54.55 1nuy n LYS 1272Cb 0.19 -1.64 0.00 0.00 -0.65 0.00 0.00 35.03 32.92 1nuy n LYS 1272CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1nuy n GLY 1273N -1.06 -0.97 0.38 2.58 0.00 -0.54 -2.06 105.19 103.50 1nuy n GLY 1273Ca 0.18 -1.20 -0.08 0.00 0.00 0.00 0.00 46.02 44.93 1nuy n GLY 1273CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nuy n LYS 1274N -0.10 0.20 -2.05 1.61 4.81 -1.26 -4.82 118.16 116.55 1nuy n LYS 1274Ca 0.00 0.07 -0.36 0.00 -0.87 0.00 0.00 58.31 57.15 1nuy n LYS 1274Cb 0.00 -1.00 0.03 0.00 0.02 0.00 0.00 35.03 34.08 1nuy n LYS 1274CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1nuy s LEU 1275N -5.99 3.67 -0.14 3.14 1.43 -1.26 -4.77 118.68 114.76 1nuy s LEU 1275Ca -0.12 2.34 -0.16 0.00 -1.03 0.00 0.00 54.13 55.16 1nuy s LEU 1275Cb 0.04 -4.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.62 1nuy s LEU 1275CO 0.18 -1.53 0.40 -0.13 0.23 0.00 0.00 176.35 175.49 1nuy s ARG 1276N -3.35 4.30 0.12 1.70 3.00 -1.26 -0.72 118.95 122.74 1nuy s ARG 1276Ca 0.76 0.29 -0.19 0.00 0.00 0.00 0.00 55.73 56.60 1nuy s ARG 1276Cb -0.29 -3.44 -0.06 0.00 0.00 0.00 0.00 34.95 31.16 1nuy s ARG 1276CO 0.32 0.18 1.74 1.25 0.00 0.00 0.00 175.30 178.80 1nuy h LEU 1277N 6.75 0.28 -0.35 2.53 5.85 -0.84 0.81 115.31 130.35 1nuy h LEU 1277Ca -0.41 -0.05 -0.19 0.00 0.84 0.00 0.00 57.88 58.07 1nuy h LEU 1277Cb 1.17 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 1nuy h LEU 1277CO 0.76 0.25 -0.74 -0.07 -0.34 0.00 0.00 178.44 178.29 1nuy h LEU 1278N 0.29 0.59 -1.89 2.25 4.07 -1.80 0.11 115.31 118.93 1nuy h LEU 1278Ca 0.08 -0.39 0.00 0.00 0.08 0.00 0.00 57.88 57.66 1nuy h LEU 1278Cb 0.02 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.58 1nuy h LEU 1278CO -0.02 1.14 0.00 0.00 -1.08 0.00 0.00 178.44 178.48 1nuy n TYR 1279N -3.86 0.00 0.06 1.13 0.18 -1.23 -4.51 117.16 108.93 1nuy n TYR 1279Ca -0.05 -0.24 0.00 0.00 1.88 0.00 0.00 57.90 59.49 1nuy n TYR 1279Cb 0.72 -0.02 0.00 0.00 -0.38 0.00 0.00 39.34 39.65 1nuy n TYR 1279CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1nuy n GLU 1280N -0.24 0.00 -0.01 -3.48 1.02 -0.45 -3.97 120.64 113.51 1nuy n GLU 1280Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1nuy n GLU 1280Cb 0.20 -0.34 -0.10 0.00 -0.02 0.00 0.00 31.44 31.19 1nuy n GLU 1280CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nuy h ASN 1282N -0.44 0.32 -0.77 0.00 -0.26 -1.01 1.00 115.58 114.42 1nuy h ASN 1282Ca -0.00 -0.13 0.06 0.00 -0.56 0.00 0.00 56.30 55.67 1nuy h ASN 1282Cb 0.43 -0.08 -0.06 0.00 -1.06 0.00 0.00 38.32 37.55 1nuy h ASN 1282CO 0.00 0.36 0.46 -0.65 -1.06 0.00 0.00 177.43 176.55 1nuy h PRO 1283N 0.26 0.83 -0.11 0.81 0.11 -1.79 -0.24 132.00 131.87 1nuy h PRO 1283Ca 0.08 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.98 1nuy h PRO 1283Cb 0.13 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 1nuy h PRO 1283CO -0.01 0.55 -0.62 0.52 -0.21 0.00 0.00 178.00 178.23 1nuy h MET 1284N 0.85 0.39 -0.60 1.05 2.86 -1.32 -1.33 114.93 116.83 1nuy h MET 1284Ca 0.34 -0.27 -0.05 0.00 -2.06 0.00 0.00 59.70 57.66 1nuy h MET 1284Cb 0.16 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 1nuy h MET 1284CO -0.17 0.89 0.18 0.00 1.06 0.00 0.00 176.91 178.87 1nuy h ALA 1285N 1.05 1.19 -0.16 6.32 0.00 -0.38 -0.43 119.26 126.84 1nuy h ALA 1285Ca -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1nuy h ALA 1285Cb 1.16 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1nuy h ALA 1285CO 0.11 0.57 -0.07 -0.92 0.00 0.00 0.00 179.25 178.94 1nuy h TYR 1286N 0.88 0.37 -0.39 0.00 3.20 -0.75 0.11 116.97 120.40 1nuy h TYR 1286Ca 0.20 -0.09 0.05 0.00 3.14 0.00 0.00 58.73 62.03 1nuy h TYR 1286Cb 0.26 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.40 1nuy h TYR 1286CO 0.02 0.63 0.12 0.28 -1.64 0.00 0.00 178.16 177.57 1nuy h VAL 1287N 0.00 0.87 -0.47 1.81 2.07 -1.12 -0.44 116.25 118.97 1nuy h VAL 1287Ca 0.04 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1nuy h VAL 1287Cb 0.53 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1nuy h VAL 1287CO 0.02 0.05 0.17 0.24 0.02 0.00 0.00 177.57 178.07 1nuy h MET 1288N 0.28 0.71 -0.35 1.57 2.86 -0.86 -1.12 114.93 118.02 1nuy h MET 1288Ca 0.18 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.62 1nuy h MET 1288Cb 0.17 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1nuy h MET 1288CO -0.20 0.66 -0.03 0.93 1.06 0.00 0.00 176.91 179.33 1nuy h GLU 1289N 0.62 0.55 0.00 1.72 5.08 -0.50 0.39 114.58 122.44 1nuy h GLU 1289Ca 0.15 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1nuy h GLU 1289Cb 0.22 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1nuy h GLU 1289CO -0.01 0.60 0.00 0.87 -1.00 0.00 0.00 179.01 179.47 1nuy h LYS 1290N 0.53 0.00 -0.24 2.33 1.79 -0.69 -2.20 116.57 118.09 1nuy h LYS 1290Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1nuy h LYS 1290Cb 0.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1nuy h LYS 1290CO 0.02 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.39 1nuy n ALA 1291N -2.08 2.48 -0.55 3.86 0.00 -0.46 -4.42 120.51 119.34 1nuy n ALA 1291Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1nuy n ALA 1291Cb 0.29 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1nuy n ALA 1291CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nuy n GLY 1292N 1.27 0.68 0.47 0.00 0.00 -0.83 -0.73 105.19 106.05 1nuy n GLY 1292Ca 0.17 -0.44 -0.03 0.00 0.00 0.00 0.00 46.02 45.73 1nuy n GLY 1292CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nuy n GLY 1293N -2.55 2.51 3.28 -0.02 0.00 0.13 -4.51 105.19 104.03 1nuy n GLY 1293Ca 0.00 -2.17 -0.19 0.00 0.00 0.00 0.00 46.02 43.66 1nuy n GLY 1293CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nuy s LEU 1294N 0.00 2.42 -0.18 0.99 1.43 -0.72 -3.90 118.68 118.72 1nuy s LEU 1294Ca 0.05 -0.83 -0.04 0.00 -1.03 0.00 0.00 54.13 52.28 1nuy s LEU 1294Cb -0.00 -0.66 0.09 0.00 0.03 0.00 0.00 46.19 45.65 1nuy s LEU 1294CO 0.03 -0.10 0.29 0.00 0.23 0.00 0.00 176.35 176.80 1nuy s ALA 1295N -2.11 -0.63 0.08 4.21 0.00 -1.26 -1.78 121.76 120.26 1nuy s ALA 1295Ca 0.12 0.75 0.03 0.00 0.00 0.00 0.00 51.96 52.85 1nuy s ALA 1295Cb -0.05 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 1nuy s ALA 1295CO 0.04 -0.98 -0.08 -0.08 0.00 0.00 0.00 175.76 174.66 1nuy s THR 1296N 2.43 0.76 -0.73 0.00 -1.32 0.02 -2.13 115.64 114.68 1nuy s THR 1296Ca 0.06 -1.61 0.26 0.00 -1.21 0.00 0.00 61.69 59.18 1nuy s THR 1296Cb -0.14 -1.30 0.25 0.00 -1.51 0.00 0.00 72.50 69.81 1nuy s THR 1296CO -0.12 -0.63 1.72 0.35 -2.21 0.00 0.00 174.62 173.73 1nuy n THR 1297N 0.56 0.55 0.00 5.08 -2.24 -0.22 -0.53 114.28 117.48 1nuy n THR 1297Ca -0.16 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1nuy n THR 1297Cb 0.58 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 1nuy n THR 1297CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nuy n GLY 1298N 1.32 2.48 0.00 3.38 0.00 -1.26 -4.71 105.19 106.40 1nuy n GLY 1298Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1nuy n GLY 1298CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nuy n LYS 1299N -0.60 3.02 -3.44 1.61 4.01 -1.26 -4.82 118.16 116.67 1nuy n LYS 1299Ca 0.00 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.67 1nuy n LYS 1299Cb 0.00 -0.63 -0.03 0.00 -0.51 0.00 0.00 35.03 33.86 1nuy n LYS 1299CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 1nuy s GLU 1300N -0.96 1.24 0.15 1.97 -1.05 -1.26 -5.14 118.70 113.65 1nuy s GLU 1300Ca 0.00 -0.40 -0.31 0.00 -0.15 0.00 0.00 54.97 54.11 1nuy s GLU 1300Cb 0.00 0.57 -0.09 0.00 -0.44 0.00 0.00 34.13 34.17 1nuy s GLU 1300CO 0.00 -0.52 1.48 0.00 0.95 0.00 0.00 175.26 177.16 1nuy s ALA 1301N -3.46 3.68 0.27 -0.84 0.00 -1.26 -1.06 121.76 119.10 1nuy s ALA 1301Ca -0.00 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1nuy s ALA 1301Cb -0.01 -3.58 0.54 0.00 0.00 0.00 0.00 23.12 20.08 1nuy s ALA 1301CO -0.10 -0.70 1.81 0.28 0.00 0.00 0.00 175.76 177.05 1nuy h VAL 1302N 4.08 0.85 0.00 0.00 2.07 -1.74 -1.95 116.25 119.56 1nuy h VAL 1302Ca -0.43 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1nuy h VAL 1302Cb 1.21 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1nuy h VAL 1302CO 0.88 0.16 0.00 0.18 0.02 0.00 0.00 177.57 178.81 1nuy n LEU 1303N -4.71 0.33 -0.35 2.57 4.77 -1.26 -2.31 117.00 116.04 1nuy n LEU 1303Ca 0.18 0.57 0.12 0.00 -0.03 0.00 0.00 56.01 56.85 1nuy n LEU 1303Cb 0.38 -0.50 0.26 0.00 -2.33 0.00 0.00 43.42 41.23 1nuy n LEU 1303CO 0.25 -0.31 0.56 0.47 -1.33 0.00 0.00 177.39 177.02 1nuy n ASP 1304N -1.85 1.41 -4.72 -1.43 8.00 -0.73 -0.84 116.55 116.39 1nuy n ASP 1304Ca 0.04 -1.15 -0.42 0.00 0.71 0.00 0.00 54.79 53.97 1nuy n ASP 1304Cb 0.25 0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 41.55 1nuy n ASP 1304CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nuy s ILE 1305N -2.45 3.19 -0.46 0.53 1.01 -0.98 -4.95 121.20 117.09 1nuy s ILE 1305Ca 0.23 0.90 -0.20 0.00 0.00 0.00 0.00 60.65 61.58 1nuy s ILE 1305Cb 0.19 -3.58 0.03 0.00 0.01 0.00 0.00 42.46 39.12 1nuy s ILE 1305CO 0.52 0.10 0.64 -0.69 0.00 0.00 0.00 174.94 175.51 1nuy s VAL 1306N 0.71 4.83 0.61 2.92 1.01 -1.26 -4.19 120.40 125.03 1nuy s VAL 1306Ca 0.62 -0.05 -0.17 0.00 0.00 0.00 0.00 61.98 62.39 1nuy s VAL 1306Cb -0.37 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.75 1nuy s VAL 1306CO 0.34 -0.66 1.11 -2.16 0.00 0.00 0.00 175.10 173.73 1nuy s PRO 1307N 2.79 3.08 0.00 2.72 0.04 -1.26 -4.95 135.00 137.43 1nuy s PRO 1307Ca 0.21 1.44 0.03 0.00 0.04 0.00 0.00 61.00 62.71 1nuy s PRO 1307Cb -0.15 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1nuy s PRO 1307CO 0.17 -1.03 0.29 0.25 0.04 0.00 0.00 177.00 176.72 1nuy n THR 1308N -1.95 0.00 -3.77 1.26 -2.24 -1.26 -4.82 114.28 101.50 1nuy n THR 1308Ca 0.11 -0.47 -0.15 0.00 -2.27 0.00 0.00 64.05 61.27 1nuy n THR 1308Cb 0.52 1.02 -0.16 0.00 -2.10 0.00 0.00 70.33 69.61 1nuy n THR 1308CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nuy s ASP 1309N -0.84 0.03 0.46 3.42 2.15 -1.26 -5.03 116.67 115.61 1nuy s ASP 1309Ca 0.02 0.09 0.31 0.00 0.43 0.00 0.00 52.55 53.41 1nuy s ASP 1309Cb 0.02 -0.02 1.45 0.00 -0.30 0.00 0.00 42.92 44.08 1nuy s ASP 1309CO 0.07 -0.13 1.94 0.16 -0.17 0.00 0.00 175.17 177.05 1nuy h ILE 1310N 6.23 0.00 -0.37 4.11 3.07 -1.95 -1.98 117.51 126.62 1nuy h ILE 1310Ca -0.45 -0.26 -0.10 0.00 1.55 0.00 0.00 64.86 65.60 1nuy h ILE 1310Cb 1.13 1.11 -0.06 0.00 -0.27 0.00 0.00 36.82 38.73 1nuy h ILE 1310CO 0.47 0.00 0.03 1.41 -1.05 0.00 0.00 178.15 179.01 1nuy n HIS 1311N -2.73 1.23 -1.76 0.16 8.25 -1.26 -4.53 115.22 114.58 1nuy n HIS 1311Ca -0.00 -1.18 -0.41 0.00 -0.26 0.00 0.00 57.72 55.87 1nuy n HIS 1311Cb 0.20 -0.44 0.01 0.00 1.12 0.00 0.00 29.99 30.88 1nuy n HIS 1311CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1nuy n GLN 1312N -0.70 2.38 -3.32 -0.41 7.27 -0.75 -4.84 117.38 117.01 1nuy n GLN 1312Ca 0.29 0.84 -0.27 0.00 0.07 0.00 0.00 57.00 57.92 1nuy n GLN 1312Cb 1.02 -2.60 -0.03 0.00 2.41 0.00 0.00 30.24 31.05 1nuy n GLN 1312CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1nuy s ARG 1313N -2.25 3.59 -0.06 3.69 0.52 -1.26 -0.17 118.95 123.01 1nuy s ARG 1313Ca 0.58 -0.07 -0.07 0.00 -0.52 0.00 0.00 55.73 55.65 1nuy s ARG 1313Cb -0.47 -2.64 0.02 0.00 0.52 0.00 0.00 34.95 32.37 1nuy s ARG 1313CO 0.60 0.18 0.19 0.00 0.02 0.00 0.00 175.30 176.29 1nuy s ALA 1314N -2.16 -0.46 0.61 2.13 0.00 0.10 -4.68 121.76 117.29 1nuy s ALA 1314Ca 0.43 0.41 -0.18 0.00 0.00 0.00 0.00 51.96 52.62 1nuy s ALA 1314Cb -0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 1nuy s ALA 1314CO 0.32 -0.12 1.18 -2.14 0.00 0.00 0.00 175.76 175.00 1nuy s PRO 1315N -0.23 2.93 -0.13 0.00 0.02 -0.88 -4.15 135.00 132.56 1nuy s PRO 1315Ca -0.03 1.72 -0.09 0.00 0.02 0.00 0.00 61.00 62.62 1nuy s PRO 1315Cb -0.03 -1.94 0.04 0.00 0.02 0.00 0.00 34.50 32.60 1nuy s PRO 1315CO 0.01 -1.21 0.32 -1.50 -0.33 0.00 0.00 177.00 174.28 1nuy s ILE 1316N -1.77 -0.02 -0.16 2.83 2.07 -0.53 -4.23 121.20 119.40 1nuy s ILE 1316Ca 0.75 0.08 -0.00 0.00 -1.41 0.00 0.00 60.65 60.06 1nuy s ILE 1316Cb -0.28 -0.47 0.04 0.00 0.13 0.00 0.00 42.46 41.88 1nuy s ILE 1316CO 0.34 0.03 -0.06 -0.63 -1.91 0.00 0.00 174.94 172.71 1nuy s ILE 1317N 0.89 1.11 0.11 2.00 1.01 0.31 0.02 121.20 126.65 1nuy s ILE 1317Ca -0.06 -0.57 -0.02 0.00 0.00 0.00 0.00 60.65 60.00 1nuy s ILE 1317Cb -0.07 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 1nuy s ILE 1317CO -0.06 0.19 0.06 -1.48 0.00 0.00 0.00 174.94 173.64 1nuy s LEU 1318N 1.64 1.90 0.00 2.97 0.05 0.09 -0.80 118.68 124.54 1nuy s LEU 1318Ca 0.02 -1.07 0.00 0.00 0.05 0.00 0.00 54.13 53.12 1nuy s LEU 1318Cb -0.15 0.40 0.00 0.00 -2.05 0.00 0.00 46.19 44.39 1nuy s LEU 1318CO -0.08 -0.70 0.00 0.61 -0.55 0.00 0.00 176.35 175.63 1nuy n GLY 1319N -0.04 0.46 3.75 -3.48 0.00 -0.74 -0.77 105.19 104.38 1nuy n GLY 1319Ca -0.09 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 1nuy n GLY 1319CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nuy s SER 1320N -4.00 6.36 0.33 1.61 0.01 0.45 -1.75 113.70 116.71 1nuy s SER 1320Ca 0.00 2.95 0.04 0.00 1.31 0.00 0.00 55.95 60.26 1nuy s SER 1320Cb 0.00 -2.63 0.58 0.00 0.21 0.00 0.00 66.02 64.18 1nuy s SER 1320CO 0.00 -0.93 1.86 1.55 0.41 0.00 0.00 173.24 176.13 1nuy h PRO 1321N 4.98 0.52 -0.09 12.44 0.13 -1.72 -1.46 132.00 146.79 1nuy h PRO 1321Ca -0.47 -0.12 -0.13 0.00 -0.87 0.00 0.00 66.00 64.42 1nuy h PRO 1321Cb 1.22 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1nuy h PRO 1321CO 0.81 0.57 -0.51 0.93 -0.23 0.00 0.00 178.00 179.57 1nuy h GLU 1322N 0.49 0.24 -0.07 0.86 5.08 -1.34 -0.10 114.58 119.74 1nuy h GLU 1322Ca 0.10 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1nuy h GLU 1322Cb 0.37 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1nuy h GLU 1322CO 0.02 0.69 -0.26 -0.44 -1.00 0.00 0.00 179.01 178.02 1nuy h ASP 1323N 0.19 0.35 -0.76 1.42 3.32 -1.57 -2.23 116.42 117.15 1nuy h ASP 1323Ca 0.01 -0.62 -0.01 0.00 0.02 0.00 0.00 57.03 56.42 1nuy h ASP 1323Cb 0.97 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.38 1nuy h ASP 1323CO 0.08 0.92 0.44 0.58 -1.72 0.00 0.00 179.24 179.54 1nuy h VAL 1324N -0.19 1.22 -0.22 -1.35 2.07 -1.27 -2.37 116.25 114.13 1nuy h VAL 1324Ca -0.01 -0.51 -0.09 0.00 0.82 0.00 0.00 66.70 66.91 1nuy h VAL 1324Cb 0.89 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1nuy h VAL 1324CO 0.05 0.24 -0.27 0.74 0.02 0.00 0.00 177.57 178.36 1nuy h THR 1325N 1.06 1.27 -0.59 2.57 2.02 -0.98 -0.77 112.91 117.49 1nuy h THR 1325Ca 0.27 -1.27 -0.04 0.00 0.77 0.00 0.00 66.41 66.15 1nuy h THR 1325Cb -0.01 1.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 1nuy h THR 1325CO -0.05 0.40 0.21 -0.08 0.37 0.00 0.00 175.52 176.37 1nuy h GLU 1326N 0.38 0.90 -0.43 6.66 4.81 -0.93 0.09 114.58 126.05 1nuy h GLU 1326Ca 0.06 -0.18 -0.13 0.00 -0.13 0.00 0.00 59.36 58.98 1nuy h GLU 1326Cb 0.67 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1nuy h GLU 1326CO 0.05 0.79 -0.24 1.25 -0.73 0.00 0.00 179.01 180.12 1nuy h LEU 1327N 0.82 0.91 -1.05 1.64 5.85 -0.95 -2.54 115.31 119.99 1nuy h LEU 1327Ca 0.19 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.58 1nuy h LEU 1327Cb 0.24 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 1nuy h LEU 1327CO -0.01 1.11 0.64 -0.07 -0.34 0.00 0.00 178.44 179.77 1nuy h LEU 1328N 0.76 1.11 -1.22 2.25 3.38 -0.71 -0.64 115.31 120.24 1nuy h LEU 1328Ca 0.10 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1nuy h LEU 1328Cb 0.80 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1nuy h LEU 1328CO 0.07 0.80 0.12 -0.33 0.09 0.00 0.00 178.44 179.19 1nuy h GLU 1329N 1.31 0.66 -0.27 1.13 5.08 -0.77 -0.90 114.58 120.82 1nuy h GLU 1329Ca 0.36 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.51 1nuy h GLU 1329Cb -0.13 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 1nuy h GLU 1329CO -0.08 0.59 -0.20 0.82 -1.00 0.00 0.00 179.01 179.14 1nuy h ILE 1330N 0.65 1.31 -0.86 3.13 2.04 -0.85 -0.88 117.51 122.05 1nuy h ILE 1330Ca 0.15 -1.34 0.08 0.00 1.00 0.00 0.00 64.86 64.74 1nuy h ILE 1330Cb 0.22 1.59 -0.07 0.00 -0.74 0.00 0.00 36.82 37.83 1nuy h ILE 1330CO -0.01 0.42 0.52 1.88 0.00 0.00 0.00 178.15 180.97 1nuy h TYR 1331N 0.33 0.95 -0.60 1.37 0.05 -0.78 -1.60 116.97 116.70 1nuy h TYR 1331Ca 0.05 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.82 1nuy h TYR 1331Cb 0.75 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 38.16 1nuy h TYR 1331CO 0.07 0.45 0.23 1.96 -1.05 0.00 0.00 178.16 179.82 1nuy h GLN 1332N 0.91 0.90 -0.96 4.88 4.20 -1.00 -1.79 115.11 122.25 1nuy h GLN 1332Ca 0.39 -0.17 0.03 0.00 0.06 0.00 0.00 58.65 58.96 1nuy h GLN 1332Cb 0.26 -0.14 -0.06 0.00 0.30 0.00 0.00 27.48 27.84 1nuy h GLN 1332CO -0.20 0.78 0.63 -0.22 -0.67 0.00 0.00 178.83 179.14 1nuy h LYS 1333N 0.84 1.19 -0.15 1.46 3.64 -0.69 -2.63 116.57 120.22 1nuy h LYS 1333Ca 0.20 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1nuy h LYS 1333Cb 0.22 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1nuy h LYS 1333CO -0.01 0.79 0.00 0.72 -2.27 0.00 0.00 179.45 178.67 1nuy n HIS 1334N -4.47 0.19 1.77 1.91 8.25 -0.64 -5.11 115.22 117.12 1nuy n HIS 1334Ca 0.13 -0.10 0.15 0.00 -0.26 0.00 0.00 57.72 57.64 1nuy n HIS 1334Cb 0.08 0.00 0.75 0.00 1.12 0.00 0.00 29.99 31.94 1nuy n HIS 1334CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98