#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ory s ALA 1007N 0.00 3.12 -0.16 -1.84 0.00 -1.26 -4.95 121.76 116.67 1ory s ALA 1007Ca 0.00 0.42 -0.31 0.00 0.00 0.00 0.00 51.96 52.07 1ory s ALA 1007Cb 0.00 -3.14 -0.08 0.00 0.00 0.00 0.00 23.12 19.90 1ory s ALA 1007CO 0.00 0.16 2.11 0.98 0.00 0.00 0.00 175.76 179.01 1ory n TYR 1008N -0.19 2.10 -0.27 0.00 9.36 -1.26 -4.89 117.16 122.00 1ory n TYR 1008Ca 0.05 -0.11 0.08 0.00 3.32 0.00 0.00 57.90 61.25 1ory n TYR 1008Cb 0.53 -2.71 0.22 0.00 -0.63 0.00 0.00 39.34 36.75 1ory n TYR 1008CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1ory h PHE 1009N 12.70 0.21 0.00 2.98 0.04 -1.99 -1.52 116.94 129.36 1ory h PHE 1009Ca -0.42 0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.38 1ory h PHE 1009Cb 1.26 0.03 -0.00 0.00 2.20 0.00 0.00 35.95 39.44 1ory h PHE 1009CO 0.94 -0.18 -0.09 0.37 -0.60 0.00 0.00 178.31 178.75 1ory h GLN 1010N 0.20 0.00 0.00 1.51 4.15 -2.00 0.12 115.11 119.09 1ory h GLN 1010Ca 0.47 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.89 1ory h GLN 1010Cb 0.87 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.56 1ory h GLN 1010CO -0.62 0.09 0.00 0.09 -1.93 0.00 0.00 178.83 176.46 1ory n ASN 1011N -4.15 0.00 -0.00 -0.69 5.03 -0.57 -3.24 115.26 111.64 1ory n ASN 1011Ca -0.03 -0.59 0.09 0.00 0.87 0.00 0.00 54.58 54.92 1ory n ASN 1011Cb 0.17 -0.09 -0.10 0.00 -1.02 0.00 0.00 39.78 38.74 1ory n ASN 1011CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ory n GLN 1012N -1.09 0.98 -0.25 3.52 6.02 0.40 -4.42 117.38 122.54 1ory n GLN 1012Ca 0.17 -0.01 0.02 0.00 -0.01 0.00 0.00 57.00 57.18 1ory n GLN 1012Cb 0.13 -1.36 0.15 0.00 1.02 0.00 0.00 30.24 30.18 1ory n GLN 1012CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1ory h VAL 1013N 0.00 0.82 -0.00 5.09 2.07 -1.63 -2.45 116.25 120.15 1ory h VAL 1013Ca 0.00 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1ory h VAL 1013Cb 0.44 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1ory h VAL 1013CO 0.00 0.11 -0.06 -0.62 0.02 0.00 0.00 177.57 177.02 1ory n GLU 1014N -4.87 0.34 -0.52 1.57 -0.58 -1.26 -0.99 120.64 114.33 1ory n GLU 1014Ca 0.12 -0.05 0.08 0.00 -0.42 0.00 0.00 57.16 56.89 1ory n GLU 1014Cb 0.30 -1.50 0.28 0.00 -0.57 0.00 0.00 31.44 29.96 1ory n GLU 1014CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1ory n THR 1015N -1.29 2.25 -4.05 2.62 -2.24 -0.96 -5.00 114.28 105.62 1ory n THR 1015Ca 0.12 -1.69 -0.35 0.00 -2.27 0.00 0.00 64.05 59.86 1ory n THR 1015Cb 0.28 -0.18 -0.11 0.00 -2.10 0.00 0.00 70.33 68.22 1ory n THR 1015CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ory s ALA 1016N -2.62 3.19 1.05 6.98 0.00 -0.16 -5.10 121.76 125.11 1ory s ALA 1016Ca 0.43 -0.90 -0.16 0.00 0.00 0.00 0.00 51.96 51.33 1ory s ALA 1016Cb 0.34 -1.85 0.08 0.00 0.00 0.00 0.00 23.12 21.69 1ory s ALA 1016CO 0.12 -0.03 0.18 0.25 0.00 0.00 0.00 175.76 176.27 1ory n THR 1017N 4.00 0.00 0.25 0.00 -2.24 -1.26 -4.65 114.28 110.37 1ory n THR 1017Ca -0.17 -0.26 0.11 0.00 -2.27 0.00 0.00 64.05 61.46 1ory n THR 1017Cb 0.52 -0.62 0.72 0.00 -2.10 0.00 0.00 70.33 68.85 1ory n THR 1017CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1ory h PRO 1018N -1.88 0.00 0.15 -0.78 0.11 -1.99 -0.75 132.00 126.87 1ory h PRO 1018Ca -0.50 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.38 1ory h PRO 1018Cb 1.33 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.46 1ory h PRO 1018CO 0.37 0.00 -1.06 1.25 -0.21 0.00 0.00 178.00 178.34 1ory h LEU 1019N 0.00 0.50 -1.69 2.35 5.85 -2.00 -2.83 115.31 117.48 1ory h LEU 1019Ca 0.02 -0.92 0.13 0.00 0.84 0.00 0.00 57.88 57.95 1ory h LEU 1019Cb 0.08 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1ory h LEU 1019CO -0.00 1.50 0.44 -0.33 -0.34 0.00 0.00 178.44 179.71 1ory h GLU 1020N -0.28 0.31 -0.41 1.25 5.08 -1.82 -0.66 114.58 118.06 1ory h GLU 1020Ca -0.20 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.06 1ory h GLU 1020Cb 1.75 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.91 1ory h GLU 1020CO 0.15 0.21 -0.08 1.96 -1.00 0.00 0.00 179.01 180.24 1ory h GLN 1021N 0.32 0.71 -0.43 2.33 4.20 -1.07 -0.11 115.11 121.07 1ory h GLN 1021Ca 0.31 -0.22 -0.14 0.00 0.06 0.00 0.00 58.65 58.67 1ory h GLN 1021Cb 0.79 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 1ory h GLN 1021CO -0.08 0.78 -0.27 0.82 -0.67 0.00 0.00 178.83 179.41 1ory h ILE 1022N 0.65 1.27 -0.33 2.54 1.08 -0.92 -2.27 117.51 119.54 1ory h ILE 1022Ca 0.12 -1.44 -0.04 0.00 -0.39 0.00 0.00 64.86 63.11 1ory h ILE 1022Cb 0.53 1.25 -0.01 0.00 -3.07 0.00 0.00 36.82 35.52 1ory h ILE 1022CO 0.03 0.49 0.04 0.40 -0.69 0.00 0.00 178.15 178.42 1ory h ILE 1023N 0.78 1.24 -0.72 -0.67 2.04 -0.78 -1.83 117.51 117.58 1ory h ILE 1023Ca 0.09 -0.85 0.11 0.00 1.00 0.00 0.00 64.86 65.20 1ory h ILE 1023Cb 0.86 1.17 -0.08 0.00 -0.74 0.00 0.00 36.82 38.03 1ory h ILE 1023CO 0.08 0.28 0.33 -0.07 0.00 0.00 0.00 178.15 178.77 1ory h LEU 1024N 0.37 0.39 -1.03 1.44 3.38 -0.97 0.26 115.31 119.14 1ory h LEU 1024Ca 0.10 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1ory h LEU 1024Cb 0.37 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1ory h LEU 1024CO 0.01 0.20 0.44 -0.07 0.09 0.00 0.00 178.44 179.11 1ory h LEU 1025N 0.54 1.00 -0.40 1.67 3.38 -1.21 -1.03 115.31 119.26 1ory h LEU 1025Ca 0.37 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.20 1ory h LEU 1025Cb 0.46 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1ory h LEU 1025CO -0.32 0.80 0.02 1.88 0.09 0.00 0.00 178.44 180.92 1ory h TYR 1026N 1.12 0.75 -0.72 1.13 -1.99 0.24 -0.48 116.97 117.01 1ory h TYR 1026Ca 0.28 -0.12 0.12 0.00 2.00 0.00 0.00 58.73 61.01 1ory h TYR 1026Cb 0.03 -0.20 -0.08 0.00 2.00 0.00 0.00 36.73 38.47 1ory h TYR 1026CO 0.01 0.75 0.32 -0.44 -0.00 0.00 0.00 178.16 178.80 1ory h ASP 1027N 0.52 0.35 -0.12 3.88 3.32 -0.37 0.47 116.42 124.48 1ory h ASP 1027Ca 0.12 0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.16 1ory h ASP 1027Cb 0.44 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1ory h ASP 1027CO 0.02 0.17 -0.30 0.50 -1.72 0.00 0.00 179.24 177.91 1ory h LYS 1028N 0.50 0.41 -0.89 3.56 1.63 -0.93 -1.07 116.57 119.79 1ory h LYS 1028Ca 0.38 -0.29 -0.01 0.00 -0.85 0.00 0.00 60.65 59.89 1ory h LYS 1028Cb 0.50 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.13 1ory h LYS 1028CO -0.34 0.90 0.53 0.00 -3.45 0.00 0.00 179.45 177.09 1ory h ALA 1029N 0.51 1.13 -0.38 5.00 0.00 -0.55 -1.61 119.26 123.36 1ory h ALA 1029Ca -0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1ory h ALA 1029Cb 0.91 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1ory h ALA 1029CO 0.07 0.59 -0.15 0.82 0.00 0.00 0.00 179.25 180.58 1ory h ILE 1030N 1.22 1.28 -0.31 0.00 2.04 0.06 -1.07 117.51 120.73 1ory h ILE 1030Ca 0.32 -1.27 0.01 0.00 1.00 0.00 0.00 64.86 64.92 1ory h ILE 1030Cb -0.05 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1ory h ILE 1030CO -0.06 0.42 0.20 -0.08 0.00 0.00 0.00 178.15 178.63 1ory h GLU 1031N 0.57 0.40 -0.82 2.37 4.81 -0.98 0.30 114.58 121.23 1ory h GLU 1031Ca 0.09 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1ory h GLU 1031Cb 0.69 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 1ory h GLU 1031CO 0.05 0.26 0.43 0.00 -0.73 0.00 0.00 179.01 179.02 1ory h LEU 1033N 1.16 0.75 -1.22 0.00 5.85 -0.73 -1.19 115.31 119.92 1ory h LEU 1033Ca 0.29 -0.42 0.05 0.00 0.84 0.00 0.00 57.88 58.63 1ory h LEU 1033Cb 0.06 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 1ory h LEU 1033CO -0.04 1.01 0.54 -0.33 -0.34 0.00 0.00 178.44 179.28 1ory h GLU 1034N 0.49 0.96 -0.18 1.25 5.08 -0.19 -1.65 114.58 120.34 1ory h GLU 1034Ca 0.07 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 1ory h GLU 1034Cb 0.75 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1ory h GLU 1034CO 0.06 0.63 -0.48 -0.09 -1.00 0.00 0.00 179.01 178.13 1ory h ARG 1035N 0.98 0.64 -0.90 2.33 9.65 -0.88 -0.76 114.38 125.44 1ory h ARG 1035Ca 0.34 -0.45 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 1ory h ARG 1035Cb 0.11 0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.72 1ory h ARG 1035CO -0.11 1.07 0.58 0.00 2.80 0.00 0.00 179.97 184.31 1ory h ALA 1036N 0.57 1.32 -0.56 2.80 0.00 -0.83 -1.65 119.26 120.90 1ory h ALA 1036Ca -0.01 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1ory h ALA 1036Cb 1.10 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1ory h ALA 1036CO 0.10 0.61 -0.03 0.82 0.00 0.00 0.00 179.25 180.76 1ory h ILE 1037N 1.23 1.27 -0.36 0.00 2.04 -1.18 -1.91 117.51 118.60 1ory h ILE 1037Ca 0.33 -1.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.00 1ory h ILE 1037Cb -0.11 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1ory h ILE 1037CO -0.07 0.42 0.10 -0.08 0.00 0.00 0.00 178.15 178.52 1ory h GLU 1038N 0.89 0.53 -0.47 2.37 4.81 -0.23 -2.96 114.58 119.51 1ory h GLU 1038Ca 0.16 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1ory h GLU 1038Cb 0.58 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1ory h GLU 1038CO 0.03 0.47 0.00 0.44 -0.73 0.00 0.00 179.01 179.23 1ory n ILE 1039N -4.35 1.11 -0.36 2.32 -5.35 -0.82 -4.66 119.36 107.25 1ory n ILE 1039Ca 0.02 -1.05 -0.00 0.00 -0.27 0.00 0.00 62.75 61.45 1ory n ILE 1039Cb 0.17 0.44 0.15 0.00 -1.74 0.00 0.00 39.64 38.66 1ory n ILE 1039CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 1ory h TYR 1040N 2.79 1.21 -0.00 4.28 5.03 -1.17 -1.70 116.97 127.41 1ory h TYR 1040Ca 0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 1ory h TYR 1040Cb 0.88 -0.40 0.00 0.00 1.55 0.00 0.00 36.73 38.76 1ory h TYR 1040CO 0.35 0.72 -0.01 -0.25 -1.32 0.00 0.00 178.16 177.65 1ory n ASP 1041N -4.42 0.11 -0.66 -2.11 8.00 -1.26 -3.73 116.55 112.48 1ory n ASP 1041Ca 0.13 -0.80 0.06 0.00 0.71 0.00 0.00 54.79 54.88 1ory n ASP 1041Cb 0.07 -0.07 0.14 0.00 -0.02 0.00 0.00 41.12 41.24 1ory n ASP 1041CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ory n GLN 1042N -1.00 2.28 0.00 -1.24 6.02 -0.64 -4.64 117.38 118.16 1ory n GLN 1042Ca 0.21 -1.88 0.07 0.00 -0.01 0.00 0.00 57.00 55.38 1ory n GLN 1042Cb 0.16 -1.29 0.32 0.00 1.02 0.00 0.00 30.24 30.46 1ory n GLN 1042CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1ory n VAL 1043N 0.66 0.84 0.31 5.09 0.31 -1.24 -1.11 118.33 123.18 1ory n VAL 1043Ca 0.11 0.21 0.17 0.00 -0.01 0.00 0.00 64.34 64.82 1ory n VAL 1043Cb 0.41 -0.98 0.69 0.00 -0.91 0.00 0.00 33.84 33.05 1ory n VAL 1043CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1ory h ASN 1044N 0.00 0.00 -3.31 4.52 2.35 -1.91 -3.36 115.58 113.87 1ory h ASN 1044Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 1ory h ASN 1044Cb 0.18 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.57 1ory h ASN 1044CO 0.00 0.00 0.61 -1.61 -1.65 0.00 0.00 177.43 174.78 1ory s GLU 1045N -3.63 4.43 0.26 0.81 0.41 -0.27 -4.97 118.70 115.74 1ory s GLU 1045Ca 0.01 1.92 -0.01 0.00 -0.41 0.00 0.00 54.97 56.48 1ory s GLU 1045Cb 0.09 -3.26 0.48 0.00 -1.78 0.00 0.00 34.13 29.67 1ory s GLU 1045CO 0.50 -0.22 1.81 -0.07 -0.49 0.00 0.00 175.26 176.79 1ory h LEU 1046N 5.90 0.75 -0.00 1.80 3.38 -1.88 -2.09 115.31 123.17 1ory h LEU 1046Ca -0.43 0.06 -0.26 0.00 0.09 0.00 0.00 57.88 57.34 1ory h LEU 1046Cb 1.21 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.88 1ory h LEU 1046CO 0.79 0.40 -1.12 -0.08 0.09 0.00 0.00 178.44 178.52 1ory h GLU 1047N 0.84 0.35 -0.25 1.13 4.57 -1.93 -2.44 114.58 116.85 1ory h GLU 1047Ca 0.45 -0.48 -0.16 0.00 -1.18 0.00 0.00 59.36 57.99 1ory h GLU 1047Cb 0.47 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.21 1ory h GLU 1047CO -0.28 1.18 -0.48 0.87 -1.18 0.00 0.00 179.01 179.13 1ory h LYS 1048N 0.15 0.68 -0.26 1.92 1.79 -1.68 0.18 116.57 119.35 1ory h LYS 1048Ca -0.12 -0.39 -0.07 0.00 -2.18 0.00 0.00 60.65 57.89 1ory h LYS 1048Cb 1.80 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 32.47 1ory h LYS 1048CO 0.19 1.00 -0.15 -0.09 -1.08 0.00 0.00 179.45 179.32 1ory h ARG 1049N 0.54 0.45 0.62 3.15 2.43 -1.41 0.48 114.38 120.64 1ory h ARG 1049Ca 0.03 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 1ory h ARG 1049Cb 1.03 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.54 1ory h ARG 1049CO 0.10 0.59 -0.30 -0.22 -1.51 0.00 0.00 179.97 178.63 1ory h LYS 1050N 0.41 -0.80 -0.70 0.20 3.64 -1.03 -2.75 116.57 115.53 1ory h LYS 1050Ca 0.07 0.05 0.15 0.00 -1.27 0.00 0.00 60.65 59.66 1ory h LYS 1050Cb 0.51 0.18 -0.10 0.00 -0.41 0.00 0.00 32.23 32.41 1ory h LYS 1050CO 0.03 -0.49 0.17 1.49 -2.27 0.00 0.00 179.45 178.38 1ory h GLU 1051N -0.99 0.27 -0.55 1.90 4.81 -0.57 -1.90 114.58 117.56 1ory h GLU 1051Ca -0.09 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1ory h GLU 1051Cb 0.68 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 1ory h GLU 1051CO 0.14 0.18 0.30 0.35 -0.73 0.00 0.00 179.01 179.24 1ory h PHE 1052N 0.28 0.75 -0.29 0.92 3.04 -0.87 -1.73 116.94 119.04 1ory h PHE 1052Ca 0.39 -0.02 -0.17 0.00 3.98 0.00 0.00 57.97 62.15 1ory h PHE 1052Cb 0.64 -0.24 -0.00 0.00 2.56 0.00 0.00 35.95 38.91 1ory h PHE 1052CO -0.25 0.55 -0.50 0.28 -2.02 0.00 0.00 178.31 176.37 1ory h VAL 1053N 0.73 1.28 -0.63 1.41 2.07 -1.29 -1.28 116.25 118.54 1ory h VAL 1053Ca 0.19 -1.69 0.07 0.00 0.82 0.00 0.00 66.70 66.09 1ory h VAL 1053Cb 0.05 1.58 -0.06 0.00 -1.52 0.00 0.00 31.29 31.35 1ory h VAL 1053CO -0.03 0.55 0.32 -0.33 0.02 0.00 0.00 177.57 178.10 1ory h GLU 1054N 0.63 0.56 -0.13 1.57 5.08 -1.11 -0.72 114.58 120.47 1ory h GLU 1054Ca 0.03 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1ory h GLU 1054Cb 1.08 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1ory h GLU 1054CO 0.11 0.37 -0.26 -0.91 -1.00 0.00 0.00 179.01 177.33 1ory h ASN 1055N 0.58 0.44 -0.87 1.42 2.35 -1.17 -1.86 115.58 116.47 1ory h ASN 1055Ca 0.30 -0.56 0.04 0.00 -0.55 0.00 0.00 56.30 55.53 1ory h ASN 1055Cb 0.25 -0.13 -0.06 0.00 0.05 0.00 0.00 38.32 38.43 1ory h ASN 1055CO -0.22 0.92 0.55 0.40 -1.65 0.00 0.00 177.43 177.44 1ory h ILE 1056N -0.01 1.11 -0.64 2.81 1.08 -1.16 -1.48 117.51 119.22 1ory h ILE 1056Ca 0.00 -0.36 0.02 0.00 -0.39 0.00 0.00 64.86 64.13 1ory h ILE 1056Cb 0.85 -0.04 -0.04 0.00 -3.07 0.00 0.00 36.82 34.52 1ory h ILE 1056CO 0.06 0.19 0.41 0.44 -0.69 0.00 0.00 178.15 178.56 1ory h ASP 1057N 1.05 0.68 -0.70 1.72 3.32 -1.06 0.42 116.42 121.85 1ory h ASP 1057Ca 0.36 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.34 1ory h ASP 1057Cb 0.07 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 1ory h ASP 1057CO -0.14 0.48 0.21 -0.09 -1.72 0.00 0.00 179.24 177.98 1ory h ARG 1058N 0.81 1.11 -0.40 3.56 9.65 -0.72 0.99 114.38 129.38 1ory h ARG 1058Ca 0.25 -0.24 -0.09 0.00 -1.10 0.00 0.00 59.98 58.80 1ory h ARG 1058Cb -0.02 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.38 1ory h ARG 1058CO -0.08 0.95 -0.09 0.28 2.80 0.00 0.00 179.97 183.83 1ory h VAL 1059N 1.07 1.27 -0.04 0.20 2.07 -0.99 0.14 116.25 119.97 1ory h VAL 1059Ca 0.23 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1ory h VAL 1059Cb 0.31 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1ory h VAL 1059CO -0.01 0.40 0.01 0.22 0.02 0.00 0.00 177.57 178.22 1ory h TYR 1060N 0.59 0.03 -0.90 1.57 5.03 -0.65 -0.58 116.97 122.06 1ory h TYR 1060Ca 0.10 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.42 1ory h TYR 1060Cb 0.61 -0.01 -0.04 0.00 1.55 0.00 0.00 36.73 38.84 1ory h TYR 1060CO 0.05 0.02 0.57 -0.44 -1.32 0.00 0.00 178.16 177.04 1ory h ASP 1061N 0.04 1.06 -0.05 -2.11 3.32 -0.42 0.45 116.42 118.71 1ory h ASP 1061Ca 0.02 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 1ory h ASP 1061Cb 0.01 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.29 1ory h ASP 1061CO -0.02 0.79 -0.20 0.40 -1.72 0.00 0.00 179.24 178.50 1ory h ILE 1062N 1.23 1.46 -0.51 0.35 2.04 -0.69 -1.43 117.51 119.97 1ory h ILE 1062Ca 0.33 -1.65 -0.02 0.00 1.00 0.00 0.00 64.86 64.52 1ory h ILE 1062Cb -0.10 2.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 1ory h ILE 1062CO -0.07 0.46 0.25 0.40 0.00 0.00 0.00 178.15 179.19 1ory h ILE 1063N -0.34 1.19 0.00 -0.67 1.08 -0.93 0.57 117.51 118.42 1ory h ILE 1063Ca -0.01 -0.55 0.00 0.00 -0.39 0.00 0.00 64.86 63.91 1ory h ILE 1063Cb 0.85 0.62 0.00 0.00 -3.07 0.00 0.00 36.82 35.21 1ory h ILE 1063CO 0.04 0.22 0.00 -1.28 -0.69 0.00 0.00 178.15 176.44 1ory h SER 1064N 0.68 0.00 0.08 1.72 0.87 -0.12 -1.96 113.55 114.82 1ory h SER 1064Ca 0.18 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.60 1ory h SER 1064Cb 0.12 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1ory h SER 1064CO -0.02 0.00 -0.59 0.00 -0.53 0.00 0.00 176.83 175.69 1ory h ALA 1065N 2.06 -0.03 -0.64 6.23 0.00 0.06 -2.95 119.26 123.98 1ory h ALA 1065Ca 0.00 -0.62 0.04 0.00 0.00 0.00 0.00 54.91 54.33 1ory h ALA 1065Cb 0.27 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1ory h ALA 1065CO 0.00 0.28 0.42 -0.07 0.00 0.00 0.00 179.25 179.88 1ory h LEU 1066N -0.43 0.64 -0.51 0.00 3.38 -0.57 -1.68 115.31 116.13 1ory h LEU 1066Ca -0.10 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1ory h LEU 1066Cb 1.41 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 1ory h LEU 1066CO 0.11 0.44 0.01 0.50 0.09 0.00 0.00 178.44 179.58 1ory h LYS 1067N 0.74 0.89 0.00 1.13 3.64 -1.44 -2.62 116.57 118.91 1ory h LYS 1067Ca 0.26 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1ory h LYS 1067Cb 0.10 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1ory h LYS 1067CO -0.07 0.92 0.00 -1.13 -2.27 0.00 0.00 179.45 176.89 1ory n SER 1068N -4.32 0.47 -0.54 4.20 3.41 -0.69 -1.98 113.62 114.17 1ory n SER 1068Ca 0.01 0.63 0.13 0.00 -0.26 0.00 0.00 58.87 59.38 1ory n SER 1068Cb 0.31 -0.73 0.33 0.00 -0.26 0.00 0.00 64.21 63.87 1ory n SER 1068CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ory n PHE 1069N -2.04 0.00 -2.18 7.33 3.72 -0.82 -4.92 117.46 118.55 1ory n PHE 1069Ca 0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 1ory n PHE 1069Cb 0.18 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.67 1ory n PHE 1069CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1ory s LEU 1070N -2.16 4.30 -0.60 4.37 1.43 -0.84 -4.98 118.68 120.20 1ory s LEU 1070Ca 0.30 2.09 -0.20 0.00 -1.03 0.00 0.00 54.13 55.29 1ory s LEU 1070Cb 0.20 -3.55 0.08 0.00 0.03 0.00 0.00 46.19 42.95 1ory s LEU 1070CO 0.39 -0.79 0.79 -0.62 0.23 0.00 0.00 176.35 176.35 1ory s ASP 1071N 2.34 6.19 0.16 2.29 2.15 -1.26 -4.92 116.67 123.62 1ory s ASP 1071Ca 0.65 -1.15 0.02 0.00 0.43 0.00 0.00 52.55 52.50 1ory s ASP 1071Cb -0.31 -2.35 -0.04 0.00 -0.30 0.00 0.00 42.92 39.93 1ory s ASP 1071CO 0.26 -1.20 1.36 0.45 -0.17 0.00 0.00 175.17 175.86 1ory h HIS 1072N 9.29 0.29 0.00 -5.34 3.86 -1.93 0.24 115.15 121.57 1ory h HIS 1072Ca -0.29 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 1ory h HIS 1072Cb 1.08 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.52 1ory h HIS 1072CO 0.87 1.00 0.00 0.39 0.86 0.00 0.00 177.93 181.05 1ory n GLU 1073N -3.63 0.00 0.00 2.45 1.02 -1.26 -2.89 120.64 116.33 1ory n GLU 1073Ca -0.04 0.64 0.13 0.00 -0.02 0.00 0.00 57.16 57.87 1ory n GLU 1073Cb 0.83 -1.32 0.41 0.00 -0.02 0.00 0.00 31.44 31.34 1ory n GLU 1073CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ory n LYS 1074N -1.99 0.84 0.05 3.49 5.02 -1.23 -3.95 118.16 120.38 1ory n LYS 1074Ca 0.00 -0.47 -0.13 0.00 -2.02 0.00 0.00 58.31 55.69 1ory n LYS 1074Cb 0.00 -1.49 -0.14 0.00 -0.02 0.00 0.00 35.03 33.38 1ory n LYS 1074CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1ory h GLY 1075N 4.93 0.16 0.00 0.72 0.00 -0.58 -3.48 103.07 104.83 1ory h GLY 1075Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1ory h GLY 1075CO 0.00 0.37 0.00 0.28 0.00 0.00 0.00 176.54 177.19 1ory n LYS 1076N -3.36 0.00 -0.13 4.80 5.02 -1.14 -3.10 118.16 120.25 1ory n LYS 1076Ca -0.12 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 55.97 1ory n LYS 1076Cb 1.02 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.92 1ory n LYS 1076CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ory n GLU 1077N 2.69 0.62 -0.29 1.97 4.71 -1.26 -3.11 120.64 125.96 1ory n GLU 1077Ca 0.00 0.17 -0.04 0.00 -0.01 0.00 0.00 57.16 57.28 1ory n GLU 1077Cb 0.00 -1.49 0.02 0.00 -1.01 0.00 0.00 31.44 28.95 1ory n GLU 1077CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1ory h ILE 1078N -0.21 0.08 -0.82 -3.67 2.04 -1.98 0.20 117.51 113.15 1ory h ILE 1078Ca -0.59 0.00 0.18 0.00 1.00 0.00 0.00 64.86 65.45 1ory h ILE 1078Cb 1.81 0.08 -0.11 0.00 -0.74 0.00 0.00 36.82 37.86 1ory h ILE 1078CO -0.16 0.00 0.33 0.00 0.00 0.00 0.00 178.15 178.32 1ory h ALA 1079N 1.14 1.22 0.00 1.87 0.00 -1.66 -1.26 119.26 120.57 1ory h ALA 1079Ca 0.28 0.14 -0.25 0.00 0.00 0.00 0.00 54.91 55.08 1ory h ALA 1079Cb 0.57 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.50 1ory h ALA 1079CO -0.83 -0.27 -1.01 -0.22 0.00 0.00 0.00 179.25 176.92 1ory h LYS 1080N 0.41 0.57 0.53 0.00 3.64 -1.13 0.99 116.57 121.59 1ory h LYS 1080Ca 0.48 -0.62 -0.03 0.00 -1.27 0.00 0.00 60.65 59.21 1ory h LYS 1080Cb 0.82 0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1ory h LYS 1080CO -0.47 1.23 -0.26 -0.91 -2.27 0.00 0.00 179.45 176.77 1ory h ASN 1081N 0.32 -0.61 -0.49 4.20 2.35 -0.47 -1.60 115.58 119.28 1ory h ASN 1081Ca -0.11 0.02 0.09 0.00 -0.55 0.00 0.00 56.30 55.75 1ory h ASN 1081Cb 1.65 0.16 -0.09 0.00 0.05 0.00 0.00 38.32 40.09 1ory h ASN 1081CO 0.19 -0.24 -0.17 0.18 -1.65 0.00 0.00 177.43 175.74 1ory n LEU 1082N -4.97 -0.26 0.05 1.61 4.77 -0.49 0.12 117.00 117.82 1ory n LEU 1082Ca -0.09 0.86 0.03 0.00 -0.03 0.00 0.00 56.01 56.78 1ory n LEU 1082Cb 0.28 -0.22 0.40 0.00 -2.33 0.00 0.00 43.42 41.55 1ory n LEU 1082CO 0.21 -0.79 1.03 -0.78 -1.33 0.00 0.00 177.39 175.73 1ory h ASP 1083N 0.00 0.38 -0.07 -1.43 1.82 -0.58 -0.80 116.42 115.74 1ory h ASP 1083Ca 0.20 -0.04 -0.09 0.00 -0.39 0.00 0.00 57.03 56.71 1ory h ASP 1083Cb 0.32 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.24 1ory h ASP 1083CO -0.50 0.38 -0.30 0.74 -1.61 0.00 0.00 179.24 177.95 1ory h THR 1084N 0.42 1.42 -0.72 2.25 2.02 0.19 -1.42 112.91 117.08 1ory h THR 1084Ca 0.10 -1.70 -0.01 0.00 0.77 0.00 0.00 66.41 65.57 1ory h THR 1084Cb 0.15 2.32 -0.03 0.00 -1.74 0.00 0.00 68.15 68.84 1ory h THR 1084CO -0.01 0.49 0.42 0.40 0.37 0.00 0.00 175.52 177.19 1ory h ILE 1085N -0.17 1.21 -0.32 3.11 2.04 -0.73 -2.66 117.51 120.00 1ory h ILE 1085Ca -0.02 -0.50 -0.12 0.00 1.00 0.00 0.00 64.86 65.22 1ory h ILE 1085Cb 0.95 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1ory h ILE 1085CO 0.06 0.23 -0.31 1.88 0.00 0.00 0.00 178.15 180.01 1ory h TYR 1086N 0.99 0.78 -0.60 1.37 0.05 -1.07 -1.81 116.97 116.68 1ory h TYR 1086Ca 0.26 -0.20 -0.09 0.00 0.05 0.00 0.00 58.73 58.74 1ory h TYR 1086Cb -0.00 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.54 1ory h TYR 1086CO -0.01 0.91 0.01 1.15 -1.05 0.00 0.00 178.16 179.17 1ory h THR 1087N 0.57 1.26 0.22 -2.88 2.02 -1.18 0.39 112.91 113.31 1ory h THR 1087Ca 0.07 -1.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.11 1ory h THR 1087Cb 0.82 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1ory h THR 1087CO 0.07 0.41 -0.10 0.40 0.37 0.00 0.00 175.52 176.67 1ory h ILE 1088N 0.96 0.83 -0.38 3.11 2.04 -1.15 0.60 117.51 123.51 1ory h ILE 1088Ca 0.17 -0.21 0.08 0.00 1.00 0.00 0.00 64.86 65.90 1ory h ILE 1088Cb 0.54 0.95 -0.09 0.00 -0.74 0.00 0.00 36.82 37.48 1ory h ILE 1088CO 0.03 0.05 -0.33 0.40 0.00 0.00 0.00 178.15 178.29 1ory h ILE 1089N -0.39 0.22 -0.85 -0.67 2.04 -1.17 0.14 117.51 116.83 1ory h ILE 1089Ca -0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.88 1ory h ILE 1089Cb 0.30 0.22 -0.05 0.00 -0.74 0.00 0.00 36.82 36.55 1ory h ILE 1089CO 0.05 0.00 0.56 -0.07 0.00 0.00 0.00 178.15 178.69 1ory h LEU 1090N -0.27 0.88 -0.31 1.44 3.38 0.11 0.07 115.31 120.61 1ory h LEU 1090Ca 0.16 -0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.93 1ory h LEU 1090Cb 0.54 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1ory h LEU 1090CO -0.53 0.59 -0.68 0.78 0.09 0.00 0.00 178.44 178.69 1ory h ASN 1091N 1.01 0.79 -0.27 -0.43 2.35 0.05 -2.75 115.58 116.33 1ory h ASN 1091Ca 0.35 -0.48 0.01 0.00 -0.55 0.00 0.00 56.30 55.63 1ory h ASN 1091Cb 0.11 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1ory h ASN 1091CO -0.11 1.25 0.16 0.74 -1.65 0.00 0.00 177.43 177.82 1ory h THR 1092N 0.49 1.04 0.00 2.81 2.02 -0.20 -3.22 112.91 115.86 1ory h THR 1092Ca -0.02 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1ory h THR 1092Cb 1.28 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1ory h THR 1092CO 0.13 0.06 -0.12 -0.07 0.37 0.00 0.00 175.52 175.90 1ory h LEU 1093N 0.34 0.00 -0.20 2.58 3.38 -0.77 -0.53 115.31 120.11 1ory h LEU 1093Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1ory h LEU 1093Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1ory h LEU 1093CO -0.04 0.12 -0.18 1.33 0.09 0.00 0.00 178.44 179.75 1ory n VAL 1094N -4.34 0.00 -1.54 1.22 0.24 -1.06 -4.80 118.33 108.06 1ory n VAL 1094Ca -0.03 -0.05 -0.39 0.00 -2.04 0.00 0.00 64.34 61.83 1ory n VAL 1094Cb 0.19 -0.03 -0.05 0.00 -1.47 0.00 0.00 33.84 32.49 1ory n VAL 1094CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1ory n LYS 1095N -1.08 1.04 0.00 7.34 5.02 -0.21 -4.85 118.16 125.42 1ory n LYS 1095Ca 0.12 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1ory n LYS 1095Cb 0.31 -3.07 0.00 0.00 -0.02 0.00 0.00 35.03 32.24 1ory n LYS 1095CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1ory n VAL 1096N 7.83 0.00 -1.10 -0.18 0.24 -1.26 -1.85 118.33 122.01 1ory n VAL 1096Ca 0.40 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.78 1ory n VAL 1096Cb 0.44 0.00 0.11 0.00 -1.47 0.00 0.00 33.84 32.92 1ory n VAL 1096CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1ory n ASP 1097N -2.70 2.05 -4.41 -1.34 5.75 -1.26 -5.05 116.55 109.59 1ory n ASP 1097Ca 0.00 -2.88 -0.40 0.00 -0.01 0.00 0.00 54.79 51.50 1ory n ASP 1097Cb 0.00 -0.37 0.02 0.00 -1.03 0.00 0.00 41.12 39.73 1ory n ASP 1097CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1ory n LYS 1098N -1.21 0.39 -4.27 0.11 2.85 -0.77 -5.01 118.16 110.26 1ory n LYS 1098Ca 0.13 0.15 -0.23 0.00 -1.05 0.00 0.00 58.31 57.31 1ory n LYS 1098Cb 0.62 -1.43 -0.07 0.00 -0.65 0.00 0.00 35.03 33.49 1ory n LYS 1098CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1ory s THR 1099N -1.68 3.13 0.20 0.58 -4.23 -1.26 -5.04 115.64 107.34 1ory s THR 1099Ca 0.64 -1.90 -0.10 0.00 -1.18 0.00 0.00 61.69 59.14 1ory s THR 1099Cb -0.53 -2.84 0.13 0.00 1.34 0.00 0.00 72.50 70.60 1ory s THR 1099CO 0.59 -0.30 1.79 0.50 -0.54 0.00 0.00 174.62 176.66 1ory h LYS 1100N 1.81 0.56 -0.48 3.99 3.64 -1.99 -2.52 116.57 121.59 1ory h LYS 1100Ca -0.44 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 58.85 1ory h LYS 1100Cb 1.25 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 1ory h LYS 1100CO 0.62 0.37 0.04 1.05 -2.27 0.00 0.00 179.45 179.27 1ory h GLU 1101N 0.58 0.78 -0.52 1.90 9.09 -1.99 -1.07 114.58 123.35 1ory h GLU 1101Ca 0.28 -0.19 0.07 0.00 0.05 0.00 0.00 59.36 59.57 1ory h GLU 1101Cb 0.22 -0.10 -0.06 0.00 -1.65 0.00 0.00 28.75 27.16 1ory h GLU 1101CO -0.20 0.76 0.21 0.93 0.05 0.00 0.00 179.01 180.76 1ory h GLU 1102N 0.74 0.39 -0.48 1.06 5.08 -1.86 -1.67 114.58 117.83 1ory h GLU 1102Ca 0.15 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.40 1ory h GLU 1102Cb 0.39 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1ory h GLU 1102CO 0.01 0.26 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.15 1ory h LEU 1103N 0.40 0.83 -1.73 1.33 3.38 -1.15 -0.66 115.31 117.72 1ory h LEU 1103Ca 0.25 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1ory h LEU 1103Cb 0.25 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1ory h LEU 1103CO -0.23 0.93 0.21 1.56 0.09 0.00 0.00 178.44 181.00 1ory h GLN 1104N 0.77 0.36 0.14 1.13 4.20 -0.74 -0.58 115.11 120.39 1ory h GLN 1104Ca 0.14 -0.02 -0.23 0.00 0.06 0.00 0.00 58.65 58.59 1ory h GLN 1104Cb 0.56 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.27 1ory h GLN 1104CO 0.03 0.24 -1.07 0.87 -0.67 0.00 0.00 178.83 178.23 1ory h LYS 1105N 0.37 0.30 -0.96 1.46 1.57 -0.23 -1.82 116.57 117.27 1ory h LYS 1105Ca 0.12 -0.51 0.29 0.00 -1.87 0.00 0.00 60.65 58.68 1ory h LYS 1105Cb 0.04 0.19 -0.15 0.00 0.08 0.00 0.00 32.23 32.39 1ory h LYS 1105CO -0.03 1.25 0.43 0.82 -0.57 0.00 0.00 179.45 181.35 1ory h ILE 1106N -0.31 0.29 -0.40 1.86 2.04 -1.25 -0.03 117.51 119.71 1ory h ILE 1106Ca -0.21 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.50 1ory h ILE 1106Cb 1.73 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1ory h ILE 1106CO 0.13 0.05 0.02 0.25 0.00 0.00 0.00 178.15 178.60 1ory h LEU 1107N 0.27 0.67 -0.89 1.44 5.85 -0.79 0.66 115.31 122.53 1ory h LEU 1107Ca 0.67 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 59.12 1ory h LEU 1107Cb 1.46 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.26 1ory h LEU 1107CO -0.64 0.80 0.58 -0.33 -0.34 0.00 0.00 178.44 178.51 1ory h GLU 1108N 0.52 1.12 0.52 1.25 5.08 -0.28 0.35 114.58 123.13 1ory h GLU 1108Ca 0.12 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1ory h GLU 1108Cb 0.44 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 29.45 1ory h GLU 1108CO 0.02 0.74 -0.25 0.82 -1.00 0.00 0.00 179.01 179.34 1ory h ILE 1109N 1.15 0.41 -0.99 3.13 2.04 -0.45 -1.97 117.51 120.83 1ory h ILE 1109Ca 0.34 -0.32 0.17 0.00 1.00 0.00 0.00 64.86 66.05 1ory h ILE 1109Cb -0.05 0.53 -0.10 0.00 -0.74 0.00 0.00 36.82 36.46 1ory h ILE 1109CO -0.10 0.05 0.60 -0.07 0.00 0.00 0.00 178.15 178.62 1ory h LEU 1110N -0.92 0.79 -0.92 1.44 4.07 -0.67 0.34 115.31 119.43 1ory h LEU 1110Ca -0.07 0.09 -0.11 0.00 0.08 0.00 0.00 57.88 57.86 1ory h LEU 1110Cb 0.61 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.28 1ory h LEU 1110CO 0.12 0.32 -0.53 0.11 -1.08 0.00 0.00 178.44 177.37 1ory h LYS 1111N 0.80 0.00 -0.01 1.13 1.57 -0.77 -0.43 116.57 118.86 1ory h LYS 1111Ca 0.55 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.25 1ory h LYS 1111Cb 0.78 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.10 1ory h LYS 1111CO -0.36 0.53 -0.30 -0.44 -0.57 0.00 0.00 179.45 178.31 1ory h ASP 1112N 0.00 0.28 -0.98 0.86 3.32 -0.48 -2.79 116.42 116.63 1ory h ASP 1112Ca -0.01 -0.76 0.05 0.00 0.02 0.00 0.00 57.03 56.33 1ory h ASP 1112Cb 0.95 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 40.36 1ory h ASP 1112CO 0.07 1.00 0.64 -0.07 -1.72 0.00 0.00 179.24 179.16 1ory h LEU 1113N -0.42 1.05 -1.06 1.55 4.07 -0.99 -2.27 115.31 117.23 1ory h LEU 1113Ca -0.04 -0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.84 1ory h LEU 1113Cb 1.05 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.54 1ory h LEU 1113CO 0.06 0.70 -0.21 -0.09 -1.08 0.00 0.00 178.44 177.82 1ory h ARG 1114N 1.20 0.41 -0.09 1.13 2.43 -1.08 -1.85 114.38 116.54 1ory h ARG 1114Ca 0.40 -0.14 -0.24 0.00 -0.81 0.00 0.00 59.98 59.20 1ory h ARG 1114Cb 0.07 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1ory h ARG 1114CO -0.14 0.61 -0.87 1.49 -1.51 0.00 0.00 179.97 179.55 1ory h GLU 1115N 0.37 0.73 -0.32 0.20 4.81 -1.14 -0.49 114.58 118.74 1ory h GLU 1115Ca 0.06 -0.66 0.03 0.00 -0.13 0.00 0.00 59.36 58.67 1ory h GLU 1115Cb 0.59 0.16 -0.05 0.00 0.63 0.00 0.00 28.75 30.07 1ory h GLU 1115CO 0.04 1.26 -0.31 0.00 -0.73 0.00 0.00 179.01 179.27 1ory h ALA 1116N 0.54 -0.47 -0.86 2.92 0.00 -1.36 -0.11 119.26 119.92 1ory h ALA 1116Ca -0.08 0.02 0.22 0.00 0.00 0.00 0.00 54.91 55.07 1ory h ALA 1116Cb 1.51 1.02 -0.15 0.00 0.00 0.00 0.00 17.79 20.17 1ory h ALA 1116CO 0.17 -0.64 0.07 -1.49 0.00 0.00 0.00 179.25 177.36 1ory h TRP 1117N -0.14 0.05 -0.72 0.00 -0.00 -1.22 0.98 115.95 114.89 1ory h TRP 1117Ca 0.05 0.06 -0.01 0.00 -0.00 0.00 0.00 58.89 58.99 1ory h TRP 1117Cb 0.29 0.12 -0.03 0.00 -0.00 0.00 0.00 29.16 29.53 1ory h TRP 1117CO -0.77 -0.29 0.40 0.93 -0.00 0.00 0.00 178.44 178.70 1ory h GLU 1118N 0.10 0.99 -0.18 0.49 4.39 -0.82 -1.04 114.58 118.52 1ory h GLU 1118Ca 0.50 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 60.07 1ory h GLU 1118Cb 0.97 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 1ory h GLU 1118CO -0.74 0.72 0.01 0.93 -1.16 0.00 0.00 179.01 178.77 1ory h GLU 1119N 1.00 0.31 -0.65 2.33 5.08 0.10 -2.20 114.58 120.56 1ory h GLU 1119Ca 0.25 -0.09 0.14 0.00 -1.00 0.00 0.00 59.36 58.66 1ory h GLU 1119Cb 0.02 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 1ory h GLU 1119CO -0.04 0.50 0.44 0.28 -1.00 0.00 0.00 179.01 179.19 1ory h VAL 1120N 0.07 0.79 -0.46 3.13 2.07 -0.67 -2.16 116.25 119.02 1ory h VAL 1120Ca 0.05 -0.09 -0.10 0.00 0.82 0.00 0.00 66.70 67.38 1ory h VAL 1120Cb 0.35 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1ory h VAL 1120CO 0.01 0.05 -0.11 0.50 0.02 0.00 0.00 177.57 178.03 1ory h LYS 1121N 0.27 0.89 0.00 1.57 3.11 -0.60 -3.02 116.57 118.80 1ory h LYS 1121Ca 0.31 -0.34 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1ory h LYS 1121Cb 0.84 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.02 1ory h LYS 1121CO -0.07 0.99 -0.06 1.57 -2.81 0.00 0.00 179.45 179.07 1ory h LYS 1122N 0.73 0.00 0.00 1.90 2.10 -0.93 -2.58 116.57 117.78 1ory h LYS 1122Ca 0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.77 1ory h LYS 1122Cb 0.66 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.99 1ory h LYS 1122CO 0.05 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.13 1ory n LYS 1123N -3.04 0.11 0.00 0.07 4.76 -0.91 -5.12 118.16 114.02 1ory n LYS 1123Ca 0.04 0.29 0.11 0.00 -2.87 0.00 0.00 58.31 55.88 1ory n LYS 1123Cb 0.53 -1.68 0.09 0.00 -1.84 0.00 0.00 35.03 32.12 1ory n LYS 1123CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31