#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nlx n THR 1005N 0.00 0.24 -0.04 0.00 -1.04 -1.26 -3.24 114.28 108.93 1nlx n THR 1005Ca 0.00 -0.12 -0.16 0.00 -2.04 0.00 0.00 64.05 61.73 1nlx n THR 1005Cb 0.00 -0.48 -0.07 0.00 -1.82 0.00 0.00 70.33 67.96 1nlx n THR 1005CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1nlx h THR 1006N 0.00 1.31 -0.79 12.58 2.02 -2.00 -2.75 112.91 123.29 1nlx h THR 1006Ca 0.00 -1.80 0.04 0.00 0.77 0.00 0.00 66.41 65.43 1nlx h THR 1006Cb 0.60 1.95 -0.05 0.00 -1.74 0.00 0.00 68.15 68.91 1nlx h THR 1006CO 0.00 0.56 0.49 -0.08 0.37 0.00 0.00 175.52 176.86 1nlx h GLU 1007N 0.38 0.90 -0.24 6.66 4.57 -1.91 -0.92 114.58 124.02 1nlx h GLU 1007Ca -0.02 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1nlx h GLU 1007Cb 1.18 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.56 1nlx h GLU 1007CO 0.12 0.60 0.12 1.49 -1.18 0.00 0.00 179.01 180.16 1nlx h GLU 1008N 0.93 0.34 0.09 1.92 4.81 -1.66 -1.20 114.58 119.82 1nlx h GLU 1008Ca 0.33 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.53 1nlx h GLU 1008Cb 0.08 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1nlx h GLU 1008CO -0.14 0.33 -0.21 1.96 -0.73 0.00 0.00 179.01 180.22 1nlx h GLN 1009N 0.26 -0.38 -0.71 1.92 4.20 -1.12 -1.37 115.11 117.92 1nlx h GLN 1009Ca 0.08 0.03 0.10 0.00 0.06 0.00 0.00 58.65 58.91 1nlx h GLN 1009Cb 0.10 0.09 -0.07 0.00 0.30 0.00 0.00 27.48 27.89 1nlx h GLN 1009CO -0.01 -0.25 0.34 -0.22 -0.67 0.00 0.00 178.83 178.02 1nlx h LYS 1010N -0.39 0.57 -0.61 1.46 3.64 -1.03 -0.94 116.57 119.26 1nlx h LYS 1010Ca 0.03 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1nlx h LYS 1010Cb 0.42 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1nlx h LYS 1010CO -0.13 0.37 0.23 -0.07 -2.27 0.00 0.00 179.45 177.58 1nlx h LEU 1011N 0.58 0.83 -0.81 5.20 3.38 -0.83 -0.91 115.31 122.75 1nlx h LEU 1011Ca 0.35 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1nlx h LEU 1011Cb 0.38 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1nlx h LEU 1011CO -0.28 0.76 0.38 0.40 0.09 0.00 0.00 178.44 179.79 1nlx h ILE 1012N 0.89 1.26 -0.37 1.22 1.08 -0.08 -0.05 117.51 121.45 1nlx h ILE 1012Ca 0.21 -0.73 0.01 0.00 -0.39 0.00 0.00 64.86 63.95 1nlx h ILE 1012Cb 0.20 0.23 -0.02 0.00 -3.07 0.00 0.00 36.82 34.16 1nlx h ILE 1012CO -0.02 0.31 0.24 -0.33 -0.69 0.00 0.00 178.15 177.66 1nlx h GLU 1013N 1.16 0.47 -0.14 2.37 4.39 -0.39 -0.73 114.58 121.71 1nlx h GLU 1013Ca 0.28 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.96 1nlx h GLU 1013Cb 0.13 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1nlx h GLU 1013CO -0.03 0.31 0.07 -0.44 -1.16 0.00 0.00 179.01 177.76 1nlx h ASP 1014N 0.48 0.12 -0.24 1.42 3.32 -0.64 -0.03 116.42 120.85 1nlx h ASP 1014Ca 0.14 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.24 1nlx h ASP 1014Cb -0.04 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.45 1nlx h ASP 1014CO -0.04 0.09 -0.07 0.58 -1.72 0.00 0.00 179.24 178.08 1nlx h VAL 1015N 0.16 0.74 -1.01 -1.35 2.07 -0.68 0.57 116.25 116.75 1nlx h VAL 1015Ca 0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.59 1nlx h VAL 1015Cb 0.00 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 1nlx h VAL 1015CO -0.03 0.00 0.67 -1.13 0.02 0.00 0.00 177.57 177.10 1nlx h ASN 1016N -0.01 1.14 -0.19 0.57 -1.24 -0.84 0.04 115.58 115.06 1nlx h ASN 1016Ca 0.12 -0.03 0.01 0.00 0.71 0.00 0.00 56.30 57.11 1nlx h ASN 1016Cb 0.19 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.95 1nlx h ASN 1016CO -0.25 0.82 0.11 0.00 -1.29 0.00 0.00 177.43 176.81 1nlx h ALA 1017N 1.38 0.23 -0.73 1.57 0.00 0.24 0.17 119.26 122.12 1nlx h ALA 1017Ca 0.38 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.29 1nlx h ALA 1017Cb -0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1nlx h ALA 1017CO -0.09 -0.31 0.48 0.77 0.00 0.00 0.00 179.25 180.11 1nlx h SER 1018N 0.23 0.83 0.54 0.00 0.02 -0.34 -0.12 113.55 114.70 1nlx h SER 1018Ca 0.07 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1nlx h SER 1018Cb -0.01 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.33 1nlx h SER 1018CO -0.03 0.60 -0.27 0.15 -1.14 0.00 0.00 176.83 176.14 1nlx h PHE 1019N 0.98 -0.70 -0.89 3.45 3.57 -0.54 -0.72 116.94 122.09 1nlx h PHE 1019Ca 0.27 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.77 1nlx h PHE 1019Cb -0.10 0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 1nlx h PHE 1019CO -0.02 -0.43 0.59 -0.09 -2.23 0.00 0.00 178.31 176.13 1nlx h ARG 1020N -0.74 1.14 -0.27 1.11 9.65 -0.47 -0.56 114.38 124.25 1nlx h ARG 1020Ca -0.07 -0.07 -0.04 0.00 -1.10 0.00 0.00 59.98 58.70 1nlx h ARG 1020Cb 0.57 -0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 1nlx h ARG 1020CO 0.11 0.76 0.02 0.00 2.80 0.00 0.00 179.97 183.66 1nlx h ALA 1021N 1.46 0.36 -0.71 2.80 0.00 -0.85 -1.73 119.26 120.58 1nlx h ALA 1021Ca 0.34 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1nlx h ALA 1021Cb -0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1nlx h ALA 1021CO -0.08 0.07 0.46 0.00 0.00 0.00 0.00 179.25 179.69 1nlx h ALA 1022N 0.84 0.90 -0.83 0.00 0.00 -0.60 -1.06 119.26 118.51 1nlx h ALA 1022Ca 0.08 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.04 1nlx h ALA 1022Cb 0.37 -0.29 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 1nlx h ALA 1022CO 0.01 0.34 0.46 0.52 0.00 0.00 0.00 179.25 180.58 1nlx h MET 1023N 0.97 0.72 -0.65 0.00 2.07 -0.85 -0.26 114.93 116.92 1nlx h MET 1023Ca 0.26 -0.04 0.07 0.00 -2.07 0.00 0.00 59.70 57.91 1nlx h MET 1023Cb -0.09 -0.16 -0.04 0.00 -1.87 0.00 0.00 31.60 29.44 1nlx h MET 1023CO -0.05 0.48 0.43 0.00 1.07 0.00 0.00 176.91 178.84 1nlx h ALA 1024N 1.48 1.79 -0.10 6.32 0.00 -0.28 -0.18 119.26 128.29 1nlx h ALA 1024Ca 0.42 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.33 1nlx h ALA 1024Cb 0.44 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1nlx h ALA 1024CO -0.28 0.11 0.16 1.15 0.00 0.00 0.00 179.25 180.39 1nlx h THR 1025N 0.64 0.29 -0.00 0.00 2.02 -0.60 -0.14 112.91 115.12 1nlx h THR 1025Ca 0.28 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.46 1nlx h THR 1025Cb 0.30 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1nlx h THR 1025CO -0.09 0.00 -0.01 1.07 0.37 0.00 0.00 175.52 176.86 1nlx n THR 1026N -3.49 0.00 -0.30 3.16 5.66 -0.08 -4.46 114.28 114.77 1nlx n THR 1026Ca -0.00 -0.01 -0.04 0.00 -3.05 0.00 0.00 64.05 60.95 1nlx n THR 1026Cb 0.26 -0.45 0.01 0.00 -1.55 0.00 0.00 70.33 68.60 1nlx n THR 1026CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nlx h ALA 1027N 3.75 -0.01 0.00 1.79 0.00 -1.14 -3.17 119.26 120.48 1nlx h ALA 1027Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1nlx h ALA 1027Cb 0.15 0.94 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1nlx h ALA 1027CO 0.00 -0.68 -0.89 0.09 0.00 0.00 0.00 179.25 177.77 1nlx n ASN 1028N -5.44 0.91 -4.76 0.00 4.13 -1.26 -5.00 115.26 103.84 1nlx n ASN 1028Ca 0.07 -0.63 -0.39 0.00 1.68 0.00 0.00 54.58 55.31 1nlx n ASN 1028Cb 0.37 1.16 0.01 0.00 -1.54 0.00 0.00 39.78 39.78 1nlx n ASN 1028CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1nlx s VAL 1029N -2.47 2.41 0.32 2.41 -7.23 -1.20 -4.94 120.40 109.70 1nlx s VAL 1029Ca 0.03 0.35 -0.29 0.00 -1.81 0.00 0.00 61.98 60.26 1nlx s VAL 1029Cb 0.10 -3.20 -0.11 0.00 0.56 0.00 0.00 36.38 33.74 1nlx s VAL 1029CO 0.57 0.03 1.42 -2.84 -0.31 0.00 0.00 175.10 173.98 1nlx s PRO 1030N -2.49 4.24 0.21 4.82 0.02 -1.26 -4.69 135.00 135.85 1nlx s PRO 1030Ca 0.62 2.37 0.10 0.00 0.02 0.00 0.00 61.00 64.11 1nlx s PRO 1030Cb -0.39 -3.05 0.73 0.00 0.02 0.00 0.00 34.50 31.81 1nlx s PRO 1030CO 0.49 -0.39 0.94 -2.30 -0.33 0.00 0.00 177.00 175.41 1nlx n PRO 1031N 1.28 -0.04 0.30 5.54 -0.02 -1.26 -0.18 135.00 140.62 1nlx n PRO 1031Ca 0.03 0.84 0.19 0.00 -2.02 0.00 0.00 63.50 62.53 1nlx n PRO 1031Cb 0.40 -1.46 0.94 0.00 -0.02 0.00 0.00 33.50 33.36 1nlx n PRO 1031CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nlx h ALA 1032N 1.19 1.09 -0.01 3.55 0.00 -1.95 -2.92 119.26 120.21 1nlx h ALA 1032Ca 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1nlx h ALA 1032Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1nlx h ALA 1032CO -0.48 0.03 -0.08 -0.25 0.00 0.00 0.00 179.25 178.48 1nlx n ASP 1033N -3.25 1.45 -0.14 0.00 10.43 0.75 -4.69 116.55 121.11 1nlx n ASP 1033Ca -0.02 -1.23 -0.03 0.00 2.57 0.00 0.00 54.79 56.08 1nlx n ASP 1033Cb 0.18 0.21 0.05 0.00 1.84 0.00 0.00 41.12 43.40 1nlx n ASP 1033CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 1nlx h LYS 1034N 1.37 0.22 0.57 -1.24 1.57 -1.37 -1.02 116.57 116.69 1nlx h LYS 1034Ca 0.00 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1nlx h LYS 1034Cb 0.33 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1nlx h LYS 1034CO 0.00 0.15 -0.31 -0.92 -0.57 0.00 0.00 179.45 177.80 1nlx h TYR 1035N 0.23 -0.80 -0.38 -1.35 3.20 -1.84 0.07 116.97 116.10 1nlx h TYR 1035Ca 0.22 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 1nlx h TYR 1035Cb 0.28 0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 1nlx h TYR 1035CO -0.21 -0.48 0.06 1.57 -1.64 0.00 0.00 178.16 177.46 1nlx h LYS 1036N -0.82 0.57 0.12 1.82 2.10 -1.86 0.47 116.57 118.96 1nlx h LYS 1036Ca -0.07 -0.10 -0.01 0.00 -2.00 0.00 0.00 60.65 58.47 1nlx h LYS 1036Cb 0.64 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 1nlx h LYS 1036CO 0.10 0.55 -0.06 1.15 -2.00 0.00 0.00 179.45 179.20 1nlx h THR 1037N 0.55 0.92 -0.20 0.07 2.02 -0.99 0.14 112.91 115.42 1nlx h THR 1037Ca 0.12 -0.11 0.02 0.00 0.77 0.00 0.00 66.41 67.21 1nlx h THR 1037Cb 0.26 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1nlx h THR 1037CO 0.00 0.03 0.07 0.15 0.37 0.00 0.00 175.52 176.14 1nlx h PHE 1038N -0.21 0.13 -0.51 3.16 3.57 -0.44 -2.25 116.94 120.40 1nlx h PHE 1038Ca -0.02 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.58 1nlx h PHE 1038Cb 0.16 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 38.80 1nlx h PHE 1038CO -0.05 0.07 0.11 1.49 -2.23 0.00 0.00 178.31 177.69 1nlx h GLU 1039N 0.17 0.24 0.02 1.11 4.22 0.14 0.72 114.58 121.19 1nlx h GLU 1039Ca 0.08 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.51 1nlx h GLU 1039Cb 0.05 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1nlx h GLU 1039CO -0.08 0.16 -0.01 0.00 -2.18 0.00 0.00 179.01 176.90 1nlx h ALA 1040N 1.39 -0.03 -0.73 2.92 0.00 -0.71 -0.94 119.26 121.17 1nlx h ALA 1040Ca 0.26 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1nlx h ALA 1040Cb 0.34 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1nlx h ALA 1040CO -0.33 -0.50 0.39 0.00 0.00 0.00 0.00 179.25 178.82 1nlx h ALA 1041N 0.91 0.93 -0.23 0.00 0.00 -0.99 -3.07 119.26 116.81 1nlx h ALA 1041Ca -0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1nlx h ALA 1041Cb 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1nlx h ALA 1041CO 0.00 0.45 -0.46 0.35 0.00 0.00 0.00 179.25 179.60 1nlx h PHE 1042N 1.00 0.71 -0.82 0.00 3.57 -0.72 -3.14 116.94 117.54 1nlx h PHE 1042Ca 0.25 -0.22 0.03 0.00 3.53 0.00 0.00 57.97 61.57 1nlx h PHE 1042Cb 0.05 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.59 1nlx h PHE 1042CO -0.00 0.94 0.54 1.15 -2.23 0.00 0.00 178.31 178.71 1nlx h THR 1043N 0.47 1.13 0.06 4.41 2.02 -1.07 -0.43 112.91 119.50 1nlx h THR 1043Ca 0.03 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 1nlx h THR 1043Cb 0.98 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1nlx h THR 1043CO 0.09 0.19 -0.03 0.58 0.37 0.00 0.00 175.52 176.72 1nlx h VAL 1044N 1.02 0.00 -0.42 3.16 2.07 -1.55 -3.16 116.25 117.37 1nlx h VAL 1044Ca 0.33 -0.01 0.12 0.00 0.82 0.00 0.00 66.70 67.96 1nlx h VAL 1044Cb 0.03 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.79 1nlx h VAL 1044CO -0.10 0.00 0.33 0.77 0.02 0.00 0.00 177.57 178.59 1nlx h SER 1045N -0.09 0.00 -0.25 0.57 4.64 -1.57 -2.51 113.55 114.34 1nlx h SER 1045Ca -0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1nlx h SER 1045Cb 0.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1nlx h SER 1045CO 0.01 0.00 0.15 0.28 -0.87 0.00 0.00 176.83 176.41 1nlx h SER 1046N 0.00 0.30 -0.79 4.97 0.02 -1.08 -2.66 113.55 114.32 1nlx h SER 1046Ca 0.20 -0.05 0.10 0.00 -0.84 0.00 0.00 61.79 61.20 1nlx h SER 1046Cb 0.85 -0.08 -0.07 0.00 0.14 0.00 0.00 62.40 63.24 1nlx h SER 1046CO -0.00 0.26 0.43 0.11 -1.14 0.00 0.00 176.83 176.49 1nlx h LYS 1047N 0.32 0.69 0.23 3.45 1.57 -1.41 0.14 116.57 121.56 1nlx h LYS 1047Ca 0.09 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1nlx h LYS 1047Cb 0.01 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1nlx h LYS 1047CO -0.02 0.46 -0.15 -0.09 -0.57 0.00 0.00 179.45 179.08 1nlx h ARG 1048N 0.71 -0.36 -0.45 3.15 2.43 -1.59 -0.63 114.38 117.65 1nlx h ARG 1048Ca 0.39 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.66 1nlx h ARG 1048Cb 0.40 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.96 1nlx h ARG 1048CO -0.27 -0.24 0.05 -0.91 -1.51 0.00 0.00 179.97 177.09 1nlx h ASN 1049N -0.37 -0.08 -0.90 -3.80 -0.26 -0.96 -0.53 115.58 108.68 1nlx h ASN 1049Ca -0.02 0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.81 1nlx h ASN 1049Cb 0.31 0.14 -0.04 0.00 -1.06 0.00 0.00 38.32 37.67 1nlx h ASN 1049CO 0.02 -0.01 0.54 0.25 -1.06 0.00 0.00 177.43 177.17 1nlx h LEU 1050N 0.17 1.09 -0.50 1.61 5.85 -0.44 -1.28 115.31 121.81 1nlx h LEU 1050Ca 0.22 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 1nlx h LEU 1050Cb 0.31 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1nlx h LEU 1050CO -0.33 0.84 0.12 0.00 -0.34 0.00 0.00 178.44 178.73 1nlx h ALA 1051N 1.35 0.66 -0.90 1.25 0.00 -0.18 -0.95 119.26 120.49 1nlx h ALA 1051Ca 0.32 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1nlx h ALA 1051Cb -0.05 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.50 1nlx h ALA 1051CO -0.06 0.35 0.58 -0.44 0.00 0.00 0.00 179.25 179.69 1nlx h ASP 1052N 0.69 0.96 -0.26 0.00 5.19 -0.62 -1.98 116.42 120.40 1nlx h ASP 1052Ca 0.16 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.55 1nlx h ASP 1052Cb 0.33 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.62 1nlx h ASP 1052CO 0.00 0.65 0.13 0.00 -3.12 0.00 0.00 179.24 176.90 1nlx h ALA 1053N 1.38 0.34 -0.76 3.45 0.00 -0.76 0.10 119.26 123.01 1nlx h ALA 1053Ca 0.37 -0.09 0.20 0.00 0.00 0.00 0.00 54.91 55.39 1nlx h ALA 1053Cb 0.03 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1nlx h ALA 1053CO -0.13 -0.11 0.53 0.28 0.00 0.00 0.00 179.25 179.83 1nlx h VAL 1054N 0.29 0.67 0.00 0.00 2.07 -0.42 0.24 116.25 119.11 1nlx h VAL 1054Ca 0.09 -0.05 -0.12 0.00 0.82 0.00 0.00 66.70 67.44 1nlx h VAL 1054Cb 0.11 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1nlx h VAL 1054CO -0.01 0.03 -1.92 -1.54 0.02 0.00 0.00 177.57 174.15 1nlx n SER 1055N -4.39 1.05 -0.09 0.57 3.41 -1.06 -4.34 113.62 108.77 1nlx n SER 1055Ca 0.15 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.65 1nlx n SER 1055Cb 0.73 1.42 -0.15 0.00 -0.26 0.00 0.00 64.21 65.96 1nlx n SER 1055CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1nlx n LYS 1056N -2.30 0.68 -2.89 4.33 4.76 0.34 -4.83 118.16 118.24 1nlx n LYS 1056Ca -0.13 0.07 -0.12 0.00 -2.87 0.00 0.00 58.31 55.27 1nlx n LYS 1056Cb 0.68 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 32.32 1nlx n LYS 1056CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1nlx n ALA 1057N -2.83 -0.45 -0.31 7.82 0.00 0.80 -4.87 120.51 120.66 1nlx n ALA 1057Ca -0.33 -1.82 0.16 0.00 0.00 0.00 0.00 53.44 51.45 1nlx n ALA 1057Cb 1.11 -1.23 0.40 0.00 0.00 0.00 0.00 19.45 19.73 1nlx n ALA 1057CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1nlx h PRO 1058N 4.43 0.60 -0.02 0.00 0.13 -1.61 -0.60 132.00 134.94 1nlx h PRO 1058Ca -0.01 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 65.09 1nlx h PRO 1058Cb 1.01 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 1nlx h PRO 1058CO 0.27 0.40 0.03 -0.56 -0.23 0.00 0.00 178.00 177.90 1nlx h GLN 1059N 0.62 0.00 0.00 0.86 -0.00 -1.96 -0.74 115.11 113.90 1nlx h GLN 1059Ca 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 59.18 1nlx h GLN 1059Cb 1.04 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.52 1nlx h GLN 1059CO -0.30 0.00 -0.04 1.25 -0.00 0.00 0.00 178.83 179.74 1nlx h LEU 1060N 0.00 0.00 0.53 0.06 5.85 -1.44 -3.37 115.31 116.94 1nlx h LEU 1060Ca 0.01 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1nlx h LEU 1060Cb 0.06 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1nlx h LEU 1060CO -0.00 0.04 -0.43 0.58 -0.34 0.00 0.00 178.44 178.29 1nlx h VAL 1061N 0.00 0.13 -0.51 1.05 2.07 -1.20 0.10 116.25 117.89 1nlx h VAL 1061Ca -0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1nlx h VAL 1061Cb 0.92 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1nlx h VAL 1061CO 0.01 0.00 0.34 1.55 0.02 0.00 0.00 177.57 179.49 1nlx h PRO 1062N -0.95 0.38 -0.12 1.57 0.13 -1.73 0.23 132.00 131.51 1nlx h PRO 1062Ca -0.06 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.03 1nlx h PRO 1062Cb 0.81 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 1nlx h PRO 1062CO -0.01 0.25 0.01 0.87 -0.23 0.00 0.00 178.00 178.90 1nlx h LYS 1063N 0.39 0.20 -0.24 0.86 1.57 -1.65 -1.75 116.57 115.95 1nlx h LYS 1063Ca 0.23 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.97 1nlx h LYS 1063Cb 0.40 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1nlx h LYS 1063CO -0.06 0.42 0.11 -0.07 -0.57 0.00 0.00 179.45 179.28 1nlx h LEU 1064N -0.05 0.16 -1.93 2.94 4.07 0.22 -0.43 115.31 120.29 1nlx h LEU 1064Ca 0.03 0.01 0.10 0.00 0.08 0.00 0.00 57.88 58.11 1nlx h LEU 1064Cb 0.32 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.02 1nlx h LEU 1064CO 0.00 0.13 0.27 0.44 -1.08 0.00 0.00 178.44 178.21 1nlx h ASP 1065N 0.24 0.07 0.07 -0.43 3.32 -0.52 -1.51 116.42 117.66 1nlx h ASP 1065Ca 0.10 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1nlx h ASP 1065Cb 0.04 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1nlx h ASP 1065CO -0.08 0.05 -0.03 -0.08 -1.72 0.00 0.00 179.24 177.38 1nlx h GLU 1066N 0.08 -0.09 -0.50 3.56 4.22 -0.17 -2.09 114.58 119.60 1nlx h GLU 1066Ca 0.18 0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.58 1nlx h GLU 1066Cb 0.62 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1nlx h GLU 1066CO -0.02 0.31 0.12 -0.24 -2.18 0.00 0.00 179.01 177.00 1nlx h VAL 1067N -0.50 1.21 -0.34 0.32 3.04 -0.73 0.12 116.25 119.36 1nlx h VAL 1067Ca -0.01 -0.77 -0.01 0.00 -1.01 0.00 0.00 66.70 64.89 1nlx h VAL 1067Cb 0.44 0.71 -0.02 0.00 -2.01 0.00 0.00 31.29 30.41 1nlx h VAL 1067CO 0.02 0.29 0.16 1.88 -1.01 0.00 0.00 177.57 178.90 1nlx h TYR 1068N 0.73 0.50 -0.88 3.17 0.99 -1.28 -1.46 116.97 118.75 1nlx h TYR 1068Ca 0.16 -0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.86 1nlx h TYR 1068Cb 0.28 -0.15 -0.04 0.00 1.00 0.00 0.00 36.73 37.81 1nlx h TYR 1068CO 0.01 0.44 0.53 -0.91 -0.00 0.00 0.00 178.16 178.24 1nlx h ASN 1069N 0.42 1.06 0.37 3.88 2.35 -0.72 0.25 115.58 123.18 1nlx h ASN 1069Ca 0.12 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1nlx h ASN 1069Cb 0.13 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1nlx h ASN 1069CO -0.01 0.81 -0.37 0.00 -1.65 0.00 0.00 177.43 176.20 1nlx h ALA 1070N 1.37 -0.81 -0.29 -0.83 0.00 -0.20 0.20 119.26 118.70 1nlx h ALA 1070Ca 0.32 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1nlx h ALA 1070Cb -0.05 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1nlx h ALA 1070CO -0.06 -0.99 0.14 0.00 0.00 0.00 0.00 179.25 178.34 1nlx h ALA 1071N -0.34 0.38 -0.83 0.00 0.00 -1.00 -1.82 119.26 115.65 1nlx h ALA 1071Ca -0.03 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1nlx h ALA 1071Cb 0.69 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1nlx h ALA 1071CO -0.06 -0.06 0.54 -0.92 0.00 0.00 0.00 179.25 178.75 1nlx h TYR 1072N 0.34 1.02 -0.21 0.00 5.03 -0.27 -2.51 116.97 120.38 1nlx h TYR 1072Ca 0.10 0.02 -0.15 0.00 2.58 0.00 0.00 58.73 61.28 1nlx h TYR 1072Cb 0.13 -0.34 -0.01 0.00 1.55 0.00 0.00 36.73 38.06 1nlx h TYR 1072CO -0.02 0.63 -0.50 -0.91 -1.32 0.00 0.00 178.16 176.04 1nlx h ASN 1073N 1.09 0.62 -0.22 -2.11 2.35 -0.50 -1.23 115.58 115.58 1nlx h ASN 1073Ca 0.31 -0.31 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1nlx h ASN 1073Cb -0.09 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 1nlx h ASN 1073CO -0.08 1.01 0.13 0.00 -1.65 0.00 0.00 177.43 176.84 1nlx h ALA 1074N 1.00 0.29 -0.32 -0.83 0.00 -1.05 -2.66 119.26 115.69 1nlx h ALA 1074Ca 0.02 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1nlx h ALA 1074Cb 1.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1nlx h ALA 1074CO 0.10 -0.19 -0.24 0.00 0.00 0.00 0.00 179.25 178.92 1nlx h ALA 1075N 1.01 0.98 -0.88 0.00 0.00 -1.43 -2.99 119.26 115.96 1nlx h ALA 1075Ca 0.08 -0.36 0.09 0.00 0.00 0.00 0.00 54.91 54.72 1nlx h ALA 1075Cb 0.06 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 1nlx h ALA 1075CO -0.01 0.60 0.57 0.22 0.00 0.00 0.00 179.25 180.62 1nlx h ASP 1076N 0.55 0.80 -0.44 0.00 3.58 -0.91 -1.47 116.42 118.52 1nlx h ASP 1076Ca 0.08 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1nlx h ASP 1076Cb 0.70 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.61 1nlx h ASP 1076CO 0.05 0.48 0.00 1.41 -2.88 0.00 0.00 179.24 178.30 1nlx n HIS 1077N -4.52 0.57 -3.71 0.28 8.25 -1.03 -4.95 115.22 110.12 1nlx n HIS 1077Ca 0.15 -0.29 -0.26 0.00 -0.26 0.00 0.00 57.72 57.06 1nlx n HIS 1077Cb 0.29 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.38 1nlx n HIS 1077CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nlx s ALA 1078N -1.43 3.84 0.46 -1.41 0.00 -0.56 -5.07 121.76 117.60 1nlx s ALA 1078Ca 0.39 -0.92 -0.24 0.00 0.00 0.00 0.00 51.96 51.19 1nlx s ALA 1078Cb 0.21 -1.95 -0.07 0.00 0.00 0.00 0.00 23.12 21.31 1nlx s ALA 1078CO 0.29 0.34 1.25 0.00 0.00 0.00 0.00 175.76 177.64 1nlx s ALA 1079N -1.95 3.03 0.25 0.00 0.00 -1.26 -4.64 121.76 117.19 1nlx s ALA 1079Ca 0.38 1.12 -0.06 0.00 0.00 0.00 0.00 51.96 53.40 1nlx s ALA 1079Cb -0.10 -3.46 0.46 0.00 0.00 0.00 0.00 23.12 20.01 1nlx s ALA 1079CO 0.30 -0.88 1.39 -2.30 0.00 0.00 0.00 175.76 174.28 1nlx n PRO 1080N -0.40 -0.08 0.22 0.00 -0.02 -1.26 0.70 135.00 134.16 1nlx n PRO 1080Ca 0.07 1.38 0.14 0.00 -2.02 0.00 0.00 63.50 63.07 1nlx n PRO 1080Cb 0.46 -2.09 0.78 0.00 -0.02 0.00 0.00 33.50 32.63 1nlx n PRO 1080CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1nlx h GLU 1081N 0.00 0.00 0.00 -0.52 4.11 -1.94 -2.93 114.58 113.30 1nlx h GLU 1081Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.88 1nlx h GLU 1081Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1nlx h GLU 1081CO -0.90 0.00 -1.26 -0.25 0.07 0.00 0.00 179.01 176.66 1nlx n ASP 1082N -4.12 0.78 -0.20 3.06 8.00 0.22 -4.69 116.55 119.59 1nlx n ASP 1082Ca 0.00 -0.57 -0.07 0.00 0.71 0.00 0.00 54.79 54.86 1nlx n ASP 1082Cb 0.22 1.34 -0.01 0.00 -0.02 0.00 0.00 41.12 42.65 1nlx n ASP 1082CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1nlx h LYS 1083N 0.00 -0.19 -0.06 -1.24 1.57 -1.14 0.15 116.57 115.66 1nlx h LYS 1083Ca 0.00 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1nlx h LYS 1083Cb 0.61 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.93 1nlx h LYS 1083CO 0.00 -0.12 -0.13 -0.92 -0.57 0.00 0.00 179.45 177.70 1nlx h TYR 1084N -0.19 -0.34 -0.84 -1.35 3.20 -1.84 -0.52 116.97 115.09 1nlx h TYR 1084Ca 0.21 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 1nlx h TYR 1084Cb 0.56 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.95 1nlx h TYR 1084CO -0.67 -0.20 0.42 1.49 -1.64 0.00 0.00 178.16 177.56 1nlx h GLU 1085N -0.20 1.19 -0.69 1.82 4.81 -1.75 -1.61 114.58 118.15 1nlx h GLU 1085Ca 0.07 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1nlx h GLU 1085Cb 0.29 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 1nlx h GLU 1085CO -0.18 0.90 0.45 0.00 -0.73 0.00 0.00 179.01 179.46 1nlx h ALA 1086N 1.27 0.89 0.55 2.92 0.00 -0.08 -0.80 119.26 124.01 1nlx h ALA 1086Ca 0.29 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1nlx h ALA 1086Cb 0.09 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.62 1nlx h ALA 1086CO -0.04 0.27 -0.26 0.35 0.00 0.00 0.00 179.25 179.57 1nlx h PHE 1087N 0.91 -0.69 -0.39 0.00 3.04 -0.74 -2.44 116.94 116.64 1nlx h PHE 1087Ca 0.26 -0.02 0.08 0.00 3.98 0.00 0.00 57.97 62.27 1nlx h PHE 1087Cb -0.07 0.23 -0.07 0.00 2.56 0.00 0.00 35.95 38.60 1nlx h PHE 1087CO -0.03 -0.36 -0.05 0.28 -2.02 0.00 0.00 178.31 176.13 1nlx h VAL 1088N -1.01 0.66 0.11 1.41 2.07 -1.24 0.19 116.25 118.44 1nlx h VAL 1088Ca -0.08 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.44 1nlx h VAL 1088Cb 0.64 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1nlx h VAL 1088CO 0.12 0.01 -0.17 0.25 0.02 0.00 0.00 177.57 177.80 1nlx h LEU 1089N 0.05 -0.48 -1.13 2.57 5.85 -1.19 -0.68 115.31 120.30 1nlx h LEU 1089Ca 0.19 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.87 1nlx h LEU 1089Cb 0.28 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1nlx h LEU 1089CO -0.36 -0.25 -0.39 0.45 -0.34 0.00 0.00 178.44 177.55 1nlx h HIS 1090N -0.34 0.11 -0.06 1.25 3.86 -1.11 -2.75 115.15 116.10 1nlx h HIS 1090Ca 0.02 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1nlx h HIS 1090Cb 0.36 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.80 1nlx h HIS 1090CO -0.17 0.47 -0.07 0.35 0.86 0.00 0.00 177.93 179.37 1nlx h PHE 1091N 0.08 0.19 -0.53 2.45 3.57 -0.37 -0.96 116.94 121.38 1nlx h PHE 1091Ca 0.01 -0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.54 1nlx h PHE 1091Cb 0.72 -0.04 -0.08 0.00 2.79 0.00 0.00 35.95 39.35 1nlx h PHE 1091CO 0.00 0.62 0.09 0.77 -2.23 0.00 0.00 178.31 177.57 1nlx h SER 1092N -0.29 -0.03 -0.05 0.41 0.02 -1.08 0.40 113.55 112.93 1nlx h SER 1092Ca 0.01 0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 1nlx h SER 1092Cb 0.59 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1nlx h SER 1092CO 0.02 0.01 -0.13 -0.33 -1.14 0.00 0.00 176.83 175.26 1nlx h GLU 1093N 0.22 0.17 -0.94 3.45 5.08 -1.53 -2.47 114.58 118.57 1nlx h GLU 1093Ca 0.27 -0.12 0.08 0.00 -1.00 0.00 0.00 59.36 58.59 1nlx h GLU 1093Cb 0.38 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.58 1nlx h GLU 1093CO -0.36 0.73 0.60 0.00 -1.00 0.00 0.00 179.01 178.98 1nlx h ALA 1094N 0.44 1.54 -0.51 3.43 0.00 -0.82 0.45 119.26 123.80 1nlx h ALA 1094Ca -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1nlx h ALA 1094Cb 0.74 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1nlx h ALA 1094CO 0.03 0.29 -0.17 1.25 0.00 0.00 0.00 179.25 180.65 1nlx h LEU 1095N 1.00 1.02 -0.95 0.00 5.85 -0.94 -0.72 115.31 120.57 1nlx h LEU 1095Ca 0.42 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1nlx h LEU 1095Cb 0.31 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1nlx h LEU 1095CO -0.18 1.17 0.23 0.03 -0.34 0.00 0.00 178.44 179.35 1nlx h ARG 1096N 0.88 0.99 0.07 1.25 3.08 -0.66 0.59 114.38 120.58 1nlx h ARG 1096Ca 0.12 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1nlx h ARG 1096Cb 0.75 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1nlx h ARG 1096CO 0.06 0.83 -0.03 0.82 -1.07 0.00 0.00 179.97 180.58 1nlx h ILE 1097N 0.96 1.08 -0.34 2.04 2.04 -0.67 0.64 117.51 123.26 1nlx h ILE 1097Ca 0.22 -0.52 0.06 0.00 1.00 0.00 0.00 64.86 65.62 1nlx h ILE 1097Cb 0.24 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1nlx h ILE 1097CO -0.01 0.13 0.24 0.40 0.00 0.00 0.00 178.15 178.90 1nlx h ILE 1098N -0.33 0.93 0.00 -0.67 5.03 -0.82 -0.64 117.51 121.01 1nlx h ILE 1098Ca -0.01 -0.07 0.00 0.00 -0.12 0.00 0.00 64.86 64.66 1nlx h ILE 1098Cb 0.28 0.71 0.00 0.00 -3.03 0.00 0.00 36.82 34.78 1nlx h ILE 1098CO 0.02 0.04 0.00 0.00 -0.68 0.00 0.00 178.15 177.52 1nlx n ALA 1099N -2.55 2.25 -0.96 1.87 0.00 0.17 -4.90 120.51 116.39 1nlx n ALA 1099Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1nlx n ALA 1099Cb 0.27 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1nlx n ALA 1099CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nlx n GLY 1100N 1.25 0.49 3.66 0.00 0.00 -0.25 -5.01 105.19 105.33 1nlx n GLY 1100Ca 0.06 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 1nlx n GLY 1100CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nlx s THR 1101N -2.00 4.67 0.21 2.61 2.01 0.13 -4.95 115.64 118.33 1nlx s THR 1101Ca 0.00 2.01 -0.09 0.00 0.31 0.00 0.00 61.69 63.92 1nlx s THR 1101Cb 0.00 -4.31 0.17 0.00 0.01 0.00 0.00 72.50 68.37 1nlx s THR 1101CO 0.00 -0.19 1.85 1.55 -0.69 0.00 0.00 174.62 177.14 1nlx h PRO 1102N 7.49 1.09 -4.86 4.92 0.13 -1.95 -3.36 132.00 135.45 1nlx h PRO 1102Ca -0.19 -0.11 -0.70 0.00 -0.87 0.00 0.00 66.00 64.13 1nlx h PRO 1102Cb 1.06 -0.22 -0.19 0.00 0.13 0.00 0.00 31.00 31.78 1nlx h PRO 1102CO 0.98 0.78 0.60 -1.21 -0.23 0.00 0.00 178.00 178.93 1nlx s GLU 1103N -5.93 3.47 0.03 0.86 0.41 -1.26 -4.83 118.70 111.45 1nlx s GLU 1103Ca -0.13 -1.70 0.26 0.00 -0.41 0.00 0.00 54.97 52.99 1nlx s GLU 1103Cb 0.15 -4.68 0.67 0.00 -1.78 0.00 0.00 34.13 28.49 1nlx s GLU 1103CO 0.80 -1.68 1.54 1.33 -0.49 0.00 0.00 175.26 176.76 1nlx n VAL 1104N 5.34 0.08 0.00 2.63 0.24 -1.26 -4.67 118.33 120.69 1nlx n VAL 1104Ca 0.15 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 1nlx n VAL 1104Cb 0.48 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 1nlx n VAL 1104CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1nlx n HIS 1105N -1.63 0.00 -3.04 6.34 -0.00 -1.26 -4.56 115.22 111.07 1nlx n HIS 1105Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.77 1nlx n HIS 1105Cb 0.36 -0.11 0.00 0.00 -0.00 0.00 0.00 29.99 30.24 1nlx n HIS 1105CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1nlx n ALA 1106N -1.81 0.00 -0.53 1.57 0.00 -1.26 -5.02 120.51 113.45 1nlx n ALA 1106Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nlx n ALA 1106Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1nlx n ALA 1106CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78