#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gr8 h LYS 1022N 0.00 0.76 -0.61 -1.46 1.57 -1.99 -1.91 116.57 112.93 2gr8 h LYS 1022Ca 0.00 -0.20 -0.09 0.00 -1.87 0.00 0.00 60.65 58.50 2gr8 h LYS 1022Cb 0.00 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 2gr8 h LYS 1022CO 0.00 0.76 0.05 0.00 -0.57 0.00 0.00 179.45 179.69 2gr8 h ARG 1023N 0.72 1.05 -0.32 3.15 -0.00 -2.01 -1.95 114.38 115.01 2gr8 h ARG 1023Ca 0.14 -0.31 -0.15 0.00 -0.50 0.00 0.00 59.98 59.17 2gr8 h ARG 1023Cb 0.42 -0.11 -0.00 0.00 0.00 0.00 0.00 29.97 30.28 2gr8 h ARG 1023CO 0.02 1.00 -0.37 0.00 0.00 0.00 0.00 179.97 180.62 2gr8 h ALA 1024N 1.00 0.47 -0.26 0.04 0.00 -1.96 -2.62 119.26 115.93 2gr8 h ALA 1024Ca 0.18 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 2gr8 h ALA 1024Cb 0.50 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2gr8 h ALA 1024CO 0.02 0.56 -0.16 -0.44 0.00 0.00 0.00 179.25 179.23 2gr8 h ASP 1025N 0.58 0.44 -0.44 0.00 3.32 -1.32 -1.98 116.42 117.02 2gr8 h ASP 1025Ca 0.04 -0.12 -0.12 0.00 0.02 0.00 0.00 57.03 56.86 2gr8 h ASP 1025Cb 0.96 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 2gr8 h ASP 1025CO 0.09 0.62 -0.17 0.00 -1.72 0.00 0.00 179.24 178.06 2gr8 h ALA 1026N 1.42 0.79 -0.21 3.45 0.00 -1.31 -1.09 119.26 122.32 2gr8 h ALA 1026Ca 0.07 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2gr8 h ALA 1026Cb 0.52 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2gr8 h ALA 1026CO 0.03 0.66 0.13 0.78 0.00 0.00 0.00 179.25 180.85 2gr8 h GLY 1027N 0.93 0.31 0.68 0.00 0.00 -1.16 -1.27 103.07 102.54 2gr8 h GLY 1027Ca 0.12 -0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.37 2gr8 h GLY 1027CO 0.06 0.12 0.30 -0.84 0.00 0.00 0.00 176.54 176.18 2gr8 h THR 1028N 0.25 0.94 -0.81 4.70 2.02 -1.27 -2.25 112.91 116.49 2gr8 h THR 1028Ca 0.08 -0.19 0.05 0.00 0.77 0.00 0.00 66.41 67.11 2gr8 h THR 1028Cb 0.03 0.33 -0.06 0.00 -1.74 0.00 0.00 68.15 66.71 2gr8 h THR 1028CO -0.01 0.10 0.50 0.00 0.37 0.00 0.00 175.52 176.48 2gr8 h ALA 1029N 1.32 1.09 -0.44 6.16 0.00 -0.91 0.98 119.26 127.46 2gr8 h ALA 1029Ca 0.26 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.18 2gr8 h ALA 1029Cb 0.18 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2gr8 h ALA 1029CO -0.18 0.26 0.24 0.77 0.00 0.00 0.00 179.25 180.34 2gr8 h SER 1030N 0.94 0.38 0.10 0.00 0.02 -0.72 -0.95 113.55 113.32 2gr8 h SER 1030Ca 0.34 0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 61.16 2gr8 h SER 1030Cb 0.11 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2gr8 h SER 1030CO -0.15 0.27 -0.48 0.00 -1.14 0.00 0.00 176.83 175.33 2gr8 h ALA 1031N 1.21 0.85 -0.63 3.77 0.00 -0.87 -1.41 119.26 122.17 2gr8 h ALA 1031Ca 0.18 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 2gr8 h ALA 1031Cb 0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2gr8 h ALA 1031CO -0.10 0.66 0.20 -0.07 0.00 0.00 0.00 179.25 179.95 2gr8 h LEU 1032N 0.36 0.91 -0.10 0.00 3.38 -0.60 -1.65 115.31 117.60 2gr8 h LEU 1032Ca 0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 2gr8 h LEU 1032Cb 0.98 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 2gr8 h LEU 1032CO 0.09 0.87 0.04 0.00 0.09 0.00 0.00 178.44 179.53 2gr8 h ALA 1033N 1.07 0.13 -0.25 1.53 0.00 -1.02 -3.03 119.26 117.69 2gr8 h ALA 1033Ca 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2gr8 h ALA 1033Cb 0.28 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2gr8 h ALA 1033CO -0.01 -0.28 0.16 0.00 0.00 0.00 0.00 179.25 179.13 2gr8 h ALA 1034N 0.88 1.83 0.00 0.00 0.00 -1.17 -2.14 119.26 118.66 2gr8 h ALA 1034Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2gr8 h ALA 1034Cb 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2gr8 h ALA 1034CO -0.00 0.16 0.00 0.66 0.00 0.00 0.00 179.25 180.07 2gr8 h SER 1035N 0.33 0.00 -0.37 0.00 4.64 -1.18 -2.92 113.55 114.06 2gr8 h SER 1035Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2gr8 h SER 1035Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2gr8 h SER 1035CO -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.94 2gr8 n GLN 1036N -2.78 2.33 -1.98 4.77 1.13 -0.81 -4.93 117.38 115.11 2gr8 n GLN 1036Ca 0.01 -2.08 -0.42 0.00 -1.94 0.00 0.00 57.00 52.57 2gr8 n GLN 1036Cb 0.28 -1.39 -0.03 0.00 0.11 0.00 0.00 30.24 29.21 2gr8 n GLN 1036CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2gr8 s LEU 1037N -1.15 4.15 0.52 1.08 1.43 -1.11 -4.90 118.68 118.70 2gr8 s LEU 1037Ca 0.31 2.07 -0.22 0.00 -1.03 0.00 0.00 54.13 55.26 2gr8 s LEU 1037Cb 0.17 -3.53 -0.06 0.00 0.03 0.00 0.00 46.19 42.80 2gr8 s LEU 1037CO 0.24 -1.11 1.28 -2.84 0.23 0.00 0.00 176.35 174.15 2gr8 s PRO 1038N 4.42 3.36 0.03 1.29 0.02 -1.26 -5.04 135.00 137.82 2gr8 s PRO 1038Ca 0.76 2.06 0.02 0.00 0.02 0.00 0.00 61.00 63.86 2gr8 s PRO 1038Cb -0.32 -2.30 -0.04 0.00 0.02 0.00 0.00 34.50 31.86 2gr8 s PRO 1038CO 0.31 -0.96 0.02 -1.14 -0.33 0.00 0.00 177.00 174.90 2gr8 s GLN 1039N -2.84 2.77 0.58 5.54 0.74 -1.26 -4.79 119.66 120.40 2gr8 s GLN 1039Ca 0.69 -0.66 -0.19 0.00 0.05 0.00 0.00 55.36 55.25 2gr8 s GLN 1039Cb -0.36 -2.66 -0.05 0.00 1.10 0.00 0.00 33.01 31.04 2gr8 s GLN 1039CO 0.43 0.60 1.03 0.00 -0.55 0.00 0.00 175.29 176.80 2gr8 n ALA 1040N 1.10 0.40 0.00 1.58 0.00 -1.26 -4.95 120.51 117.38 2gr8 n ALA 1040Ca -0.13 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2gr8 n ALA 1040Cb 0.52 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.83 2gr8 n ALA 1040CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2gr8 n THR 1041N -1.52 0.00 -4.22 0.00 -2.24 -1.26 -4.98 114.28 100.06 2gr8 n THR 1041Ca 0.13 -0.18 -0.35 0.00 -2.27 0.00 0.00 64.05 61.38 2gr8 n THR 1041Cb 0.46 0.69 -0.09 0.00 -2.10 0.00 0.00 70.33 69.29 2gr8 n THR 1041CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2gr8 s MET 1042N -0.95 3.38 0.29 -0.78 -1.94 -1.26 -5.08 119.30 112.97 2gr8 s MET 1042Ca 0.00 -0.37 -0.30 0.00 -1.71 0.00 0.00 55.69 53.31 2gr8 s MET 1042Cb 0.00 -2.96 -0.12 0.00 2.01 0.00 0.00 34.83 33.76 2gr8 s MET 1042CO 0.00 0.55 1.57 -2.30 -0.01 0.00 0.00 175.02 174.82 2gr8 n PRO 1043N 2.65 2.62 -0.88 2.03 -0.02 -1.26 -2.56 135.00 137.57 2gr8 n PRO 1043Ca -0.18 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 2gr8 n PRO 1043Cb 0.53 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 2gr8 n PRO 1043CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gr8 n GLY 1044N 2.06 1.14 3.80 -1.23 0.00 -0.68 -4.88 105.19 105.39 2gr8 n GLY 1044Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 2gr8 n GLY 1044CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gr8 s LYS 1045N -0.04 2.88 0.09 1.61 1.02 -1.06 -4.87 119.74 119.38 2gr8 s LYS 1045Ca 0.00 -0.96 0.08 0.00 0.02 0.00 0.00 55.97 55.11 2gr8 s LYS 1045Cb 0.00 -2.59 -0.04 0.00 -0.52 0.00 0.00 37.83 34.68 2gr8 s LYS 1045CO 0.00 0.45 -0.17 -1.12 -0.92 0.00 0.00 175.35 173.59 2gr8 s SER 1046N -3.41 3.91 -0.07 2.83 0.01 -1.26 -1.78 113.70 113.93 2gr8 s SER 1046Ca 0.32 -0.50 0.03 0.00 1.31 0.00 0.00 55.95 57.11 2gr8 s SER 1046Cb -0.09 -0.60 0.01 0.00 0.21 0.00 0.00 66.02 65.55 2gr8 s SER 1046CO 0.24 0.20 -0.17 -0.32 0.41 0.00 0.00 173.24 173.61 2gr8 s MET 1047N -1.93 2.08 -0.12 12.44 1.75 0.30 -4.99 119.30 128.84 2gr8 s MET 1047Ca 0.17 -0.58 -0.08 0.00 -1.25 0.00 0.00 55.69 53.95 2gr8 s MET 1047Cb -0.11 -1.68 -0.04 0.00 2.84 0.00 0.00 34.83 35.84 2gr8 s MET 1047CO 0.09 0.12 0.17 0.14 -0.65 0.00 0.00 175.02 174.89 2gr8 s VAL 1048N 0.43 5.45 0.01 10.11 -7.23 -1.26 -1.35 120.40 126.56 2gr8 s VAL 1048Ca -0.13 0.28 -0.02 0.00 -1.81 0.00 0.00 61.98 60.30 2gr8 s VAL 1048Cb -0.15 -3.45 -0.01 0.00 0.56 0.00 0.00 36.38 33.33 2gr8 s VAL 1048CO 0.05 0.59 0.01 0.00 -0.31 0.00 0.00 175.10 175.44 2gr8 s ALA 1049N -0.85 0.01 0.01 1.32 0.00 0.76 -5.00 121.76 118.01 2gr8 s ALA 1049Ca 0.15 -0.44 0.02 0.00 0.00 0.00 0.00 51.96 51.69 2gr8 s ALA 1049Cb -0.12 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 2gr8 s ALA 1049CO 0.04 -0.16 -0.07 -1.50 0.00 0.00 0.00 175.76 174.08 2gr8 s ILE 1050N -1.35 0.50 -0.00 0.00 2.07 -1.26 -0.39 121.20 120.77 2gr8 s ILE 1050Ca -0.15 -0.48 -0.09 0.00 -1.41 0.00 0.00 60.65 58.52 2gr8 s ILE 1050Cb -0.09 -0.46 0.01 0.00 0.13 0.00 0.00 42.46 42.05 2gr8 s ILE 1050CO -0.00 -0.01 0.17 0.00 -1.91 0.00 0.00 174.94 173.19 2gr8 s ALA 1051N -0.48 -0.41 0.16 1.50 0.00 0.59 -4.86 121.76 118.26 2gr8 s ALA 1051Ca -0.01 -0.04 0.04 0.00 0.00 0.00 0.00 51.96 51.94 2gr8 s ALA 1051Cb -0.04 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 2gr8 s ALA 1051CO -0.00 -0.22 -0.06 0.20 0.00 0.00 0.00 175.76 175.68 2gr8 s GLY 1052N -1.36 1.16 0.15 0.00 0.00 -1.26 -0.09 107.32 105.91 2gr8 s GLY 1052Ca -0.14 -1.55 -0.13 0.00 0.00 0.00 0.00 44.72 42.90 2gr8 s GLY 1052CO 0.02 -1.59 0.37 -1.35 0.00 0.00 0.00 173.10 170.55 2gr8 s SER 1053N -3.18 -0.10 -0.03 1.64 1.04 -0.10 -4.61 113.70 108.35 2gr8 s SER 1053Ca 0.20 -0.59 -0.00 0.00 0.48 0.00 0.00 55.95 56.03 2gr8 s SER 1053Cb 0.04 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.66 2gr8 s SER 1053CO 0.02 -0.91 0.01 -0.55 0.98 0.00 0.00 173.24 172.80 2gr8 s SER 1054N -2.89 0.60 -0.20 7.02 0.15 -1.26 -1.89 113.70 115.22 2gr8 s SER 1054Ca 0.10 -0.01 -0.05 0.00 0.70 0.00 0.00 55.95 56.69 2gr8 s SER 1054Cb 0.02 -0.21 0.10 0.00 -1.71 0.00 0.00 66.02 64.22 2gr8 s SER 1054CO -0.05 -0.13 0.37 -0.47 1.20 0.00 0.00 173.24 174.16 2gr8 s TYR 1055N 1.28 -0.74 -1.50 3.44 5.04 0.45 -4.96 117.35 120.37 2gr8 s TYR 1055Ca -0.06 1.15 -0.11 0.00 -2.44 0.00 0.00 57.07 55.61 2gr8 s TYR 1055Cb -0.13 0.13 0.07 0.00 0.35 0.00 0.00 41.96 42.38 2gr8 s TYR 1055CO -0.02 -0.55 0.87 1.04 -1.34 0.00 0.00 175.55 175.54 2gr8 n GLN 1056N 5.37 -5.05 0.00 4.97 1.13 -1.26 -1.08 117.38 121.46 2gr8 n GLN 1056Ca -0.06 0.57 0.00 0.00 -1.94 0.00 0.00 57.00 55.57 2gr8 n GLN 1056Cb 0.50 -5.33 0.00 0.00 0.11 0.00 0.00 30.24 25.52 2gr8 n GLN 1056CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2gr8 n GLY 1057N -1.66 2.24 3.89 1.08 0.00 -1.26 -5.02 105.19 104.45 2gr8 n GLY 1057Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 2gr8 n GLY 1057CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2gr8 s GLN 1058N -0.26 3.35 0.03 1.61 -1.52 -0.24 -5.09 119.66 117.54 2gr8 s GLN 1058Ca 0.00 -0.45 0.07 0.00 -1.95 0.00 0.00 55.36 53.03 2gr8 s GLN 1058Cb 0.00 -3.00 -0.03 0.00 -0.22 0.00 0.00 33.01 29.75 2gr8 s GLN 1058CO 0.00 0.62 -0.17 -0.80 -0.25 0.00 0.00 175.29 174.69 2gr8 s ASN 1059N -2.32 3.88 0.10 5.90 0.01 -1.26 -0.41 114.94 120.84 2gr8 s ASN 1059Ca 0.32 -0.39 0.10 0.00 -0.71 0.00 0.00 52.86 52.17 2gr8 s ASN 1059Cb -0.13 -0.66 -0.04 0.00 0.41 0.00 0.00 41.25 40.83 2gr8 s ASN 1059CO 0.24 0.26 -0.23 -0.83 -1.51 0.00 0.00 177.10 175.03 2gr8 s GLY 1060N -1.41 1.59 -0.02 0.66 0.00 -0.79 -1.40 107.32 105.95 2gr8 s GLY 1060Ca 0.15 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.50 2gr8 s GLY 1060CO 0.05 -1.33 0.00 -2.27 0.00 0.00 0.00 173.10 169.56 2gr8 s LEU 1061N -1.90 1.36 -0.00 0.66 2.96 -0.09 -0.92 118.68 120.74 2gr8 s LEU 1061Ca 0.15 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 54.07 2gr8 s LEU 1061Cb -0.10 -0.14 -0.01 0.00 0.50 0.00 0.00 46.19 46.44 2gr8 s LEU 1061CO 0.07 -0.08 -0.07 0.00 -1.32 0.00 0.00 176.35 174.95 2gr8 s ALA 1062N 0.76 0.61 0.01 5.97 0.00 0.87 -0.88 121.76 129.09 2gr8 s ALA 1062Ca -0.07 -0.35 0.09 0.00 0.00 0.00 0.00 51.96 51.62 2gr8 s ALA 1062Cb -0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 2gr8 s ALA 1062CO -0.02 0.14 -0.26 0.96 0.00 0.00 0.00 175.76 176.58 2gr8 s ILE 1063N -0.27 2.10 0.02 0.00 -4.36 -0.32 -0.30 121.20 118.06 2gr8 s ILE 1063Ca 0.02 -1.23 -0.04 0.00 -0.26 0.00 0.00 60.65 59.13 2gr8 s ILE 1063Cb -0.03 -1.76 -0.01 0.00 1.25 0.00 0.00 42.46 41.90 2gr8 s ILE 1063CO -0.00 0.49 0.07 -0.83 0.24 0.00 0.00 174.94 174.90 2gr8 s GLY 1064N -0.89 0.14 -0.02 6.27 0.00 0.48 -1.13 107.32 112.17 2gr8 s GLY 1064Ca 0.11 -0.39 0.04 0.00 0.00 0.00 0.00 44.72 44.48 2gr8 s GLY 1064CO 0.00 -0.50 -0.15 0.54 0.00 0.00 0.00 173.10 172.99 2gr8 s VAL 1065N -1.68 1.19 0.07 1.40 0.11 0.24 -0.17 120.40 121.56 2gr8 s VAL 1065Ca -0.13 -0.62 0.04 0.00 -2.93 0.00 0.00 61.98 58.33 2gr8 s VAL 1065Cb -0.07 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.75 2gr8 s VAL 1065CO -0.01 0.34 -0.11 -0.94 -3.33 0.00 0.00 175.10 171.06 2gr8 s SER 1066N -0.19 1.33 -0.07 3.54 1.04 -0.45 -0.38 113.70 118.51 2gr8 s SER 1066Ca 0.02 -0.68 -0.06 0.00 0.48 0.00 0.00 55.95 55.72 2gr8 s SER 1066Cb -0.07 0.00 0.02 0.00 0.10 0.00 0.00 66.02 66.07 2gr8 s SER 1066CO 0.00 -0.19 0.19 -0.60 0.98 0.00 0.00 173.24 173.61 2gr8 s ARG 1067N -2.12 0.21 -0.07 4.02 3.52 -0.02 -0.54 118.95 123.95 2gr8 s ARG 1067Ca -0.02 0.27 0.04 0.00 -0.13 0.00 0.00 55.73 55.90 2gr8 s ARG 1067Cb -0.07 0.09 -0.02 0.00 -1.56 0.00 0.00 34.95 33.39 2gr8 s ARG 1067CO 0.01 -0.04 -0.19 0.42 -0.81 0.00 0.00 175.30 174.69 2gr8 s ILE 1068N 0.18 2.62 0.86 4.11 1.01 -0.74 -1.01 121.20 128.22 2gr8 s ILE 1068Ca -0.01 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 59.67 2gr8 s ILE 1068Cb -0.02 -2.01 0.11 0.00 0.01 0.00 0.00 42.46 40.55 2gr8 s ILE 1068CO -0.00 0.57 1.16 -0.94 0.00 0.00 0.00 174.94 175.73 2gr8 s SER 1069N -0.29 3.34 0.45 3.58 1.04 0.06 -2.11 113.70 119.77 2gr8 s SER 1069Ca 0.01 2.22 0.13 0.00 0.48 0.00 0.00 55.95 58.79 2gr8 s SER 1069Cb -0.13 -2.57 1.05 0.00 0.10 0.00 0.00 66.02 64.47 2gr8 s SER 1069CO 0.03 -2.83 2.04 0.44 0.98 0.00 0.00 173.24 173.90 2gr8 h ASP 1070N -1.41 0.30 0.38 7.02 3.45 -1.89 0.25 116.42 124.51 2gr8 h ASP 1070Ca -0.44 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.02 2gr8 h ASP 1070Cb 1.27 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.98 2gr8 h ASP 1070CO 0.44 0.20 -0.11 -0.46 -1.57 0.00 0.00 179.24 177.74 2gr8 n ASN 1071N -4.48 0.45 0.00 6.45 0.23 -1.26 -4.39 115.26 112.26 2gr8 n ASN 1071Ca 0.05 -0.54 0.00 0.00 -0.53 0.00 0.00 54.58 53.56 2gr8 n ASN 1071Cb 0.22 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.84 2gr8 n ASN 1071CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2gr8 n GLY 1072N 1.29 1.02 0.09 4.83 0.00 -0.01 -4.92 105.19 107.48 2gr8 n GLY 1072Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 2gr8 n GLY 1072CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gr8 h LYS 1073N 3.27 0.10 -5.31 1.61 1.57 -1.85 -3.46 116.57 112.52 2gr8 h LYS 1073Ca 0.00 -0.18 -0.64 0.00 -1.87 0.00 0.00 60.65 57.96 2gr8 h LYS 1073Cb 0.00 0.07 -0.24 0.00 0.08 0.00 0.00 32.23 32.14 2gr8 h LYS 1073CO 0.00 0.86 -0.71 0.08 -0.57 0.00 0.00 179.45 179.11 2gr8 s VAL 1074N -2.62 3.55 -0.07 0.50 1.01 -1.26 -1.03 120.40 120.47 2gr8 s VAL 1074Ca -0.07 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.47 2gr8 s VAL 1074Cb 0.08 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.93 2gr8 s VAL 1074CO 0.83 0.51 -0.19 -0.63 0.00 0.00 0.00 175.10 175.61 2gr8 s ILE 1075N 0.36 1.64 -0.02 2.22 1.01 -0.47 -0.76 121.20 125.18 2gr8 s ILE 1075Ca -0.07 -0.80 0.08 0.00 0.00 0.00 0.00 60.65 59.86 2gr8 s ILE 1075Cb -0.15 -1.42 -0.02 0.00 0.01 0.00 0.00 42.46 40.88 2gr8 s ILE 1075CO 0.04 0.47 -0.25 -0.63 0.00 0.00 0.00 174.94 174.56 2gr8 s ILE 1076N 0.27 2.10 -0.02 2.92 1.01 -0.18 -0.50 121.20 126.79 2gr8 s ILE 1076Ca -0.11 -1.09 0.03 0.00 0.00 0.00 0.00 60.65 59.48 2gr8 s ILE 1076Cb -0.15 -1.72 -0.00 0.00 0.01 0.00 0.00 42.46 40.59 2gr8 s ILE 1076CO 0.05 0.58 -0.12 -0.13 0.00 0.00 0.00 174.94 175.32 2gr8 s ARG 1077N -0.62 1.11 -0.02 2.79 0.52 -0.07 -0.84 118.95 121.83 2gr8 s ARG 1077Ca 0.10 -0.42 0.01 0.00 -0.52 0.00 0.00 55.73 54.90 2gr8 s ARG 1077Cb -0.10 -1.04 0.01 0.00 0.52 0.00 0.00 34.95 34.34 2gr8 s ARG 1077CO -0.01 0.20 -0.03 -1.17 0.02 0.00 0.00 175.30 174.32 2gr8 s LEU 1078N -0.05 1.66 0.01 2.53 2.96 0.49 -0.30 118.68 125.99 2gr8 s LEU 1078Ca 0.00 -0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.86 2gr8 s LEU 1078Cb -0.07 -0.22 -0.01 0.00 0.50 0.00 0.00 46.19 46.38 2gr8 s LEU 1078CO 0.00 -0.01 -0.03 -0.55 -1.32 0.00 0.00 176.35 174.44 2gr8 s SER 1079N 0.37 0.36 -0.04 3.68 0.15 0.73 -0.59 113.70 118.36 2gr8 s SER 1079Ca -0.04 -0.26 0.07 0.00 0.70 0.00 0.00 55.95 56.42 2gr8 s SER 1079Cb -0.07 0.02 -0.02 0.00 -1.71 0.00 0.00 66.02 64.25 2gr8 s SER 1079CO -0.01 -0.11 -0.25 -0.83 1.20 0.00 0.00 173.24 173.25 2gr8 s GLY 1080N -0.72 1.29 0.12 9.45 0.00 -0.28 -1.41 107.32 115.77 2gr8 s GLY 1080Ca -0.06 -1.08 0.07 0.00 0.00 0.00 0.00 44.72 43.65 2gr8 s GLY 1080CO -0.00 -0.78 -0.16 -0.51 0.00 0.00 0.00 173.10 171.65 2gr8 s THR 1081N -0.38 1.44 0.20 0.90 -4.23 0.12 -1.18 115.64 112.51 2gr8 s THR 1081Ca 0.03 -1.67 -0.04 0.00 -1.18 0.00 0.00 61.69 58.83 2gr8 s THR 1081Cb -0.12 -1.53 -0.03 0.00 1.34 0.00 0.00 72.50 72.16 2gr8 s THR 1081CO 0.01 -0.33 0.20 0.28 -0.54 0.00 0.00 174.62 174.25 2gr8 s THR 1082N -1.88 0.01 0.35 3.99 -1.32 -0.06 -1.13 115.64 115.59 2gr8 s THR 1082Ca 0.08 -1.83 0.06 0.00 -1.21 0.00 0.00 61.69 58.79 2gr8 s THR 1082Cb -0.06 -2.35 -0.02 0.00 -1.51 0.00 0.00 72.50 68.56 2gr8 s THR 1082CO 0.04 -0.07 0.34 -0.46 -2.21 0.00 0.00 174.62 172.26 2gr8 n ASN 1083N -0.27 -0.90 0.00 8.08 2.04 -1.22 -0.91 115.26 122.09 2gr8 n ASN 1083Ca -0.00 -3.17 0.05 0.00 -0.44 0.00 0.00 54.58 51.02 2gr8 n ASN 1083Cb 0.65 1.94 0.24 0.00 -2.53 0.00 0.00 39.78 40.08 2gr8 n ASN 1083CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 2gr8 n SER 1084N -1.64 0.00 -0.91 0.53 3.41 -0.50 -0.53 113.62 113.98 2gr8 n SER 1084Ca 0.06 0.26 0.10 0.00 -0.26 0.00 0.00 58.87 59.03 2gr8 n SER 1084Cb 0.62 -0.36 0.14 0.00 -0.26 0.00 0.00 64.21 64.35 2gr8 n SER 1084CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gr8 n GLN 1085N -1.36 2.08 -1.25 4.33 1.13 -1.26 -4.99 117.38 116.07 2gr8 n GLN 1085Ca 0.04 -1.93 -0.08 0.00 -1.94 0.00 0.00 57.00 53.09 2gr8 n GLN 1085Cb 0.09 -1.42 -0.03 0.00 0.11 0.00 0.00 30.24 29.00 2gr8 n GLN 1085CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2gr8 n GLY 1086N 1.20 0.93 3.65 1.08 0.00 0.31 -5.01 105.19 107.34 2gr8 n GLY 1086Ca 0.14 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 2gr8 n GLY 1086CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gr8 s LYS 1087N -2.69 4.13 0.15 1.61 -0.14 -1.26 -4.85 119.74 116.69 2gr8 s LYS 1087Ca 0.00 0.26 -0.06 0.00 -1.36 0.00 0.00 55.97 54.81 2gr8 s LYS 1087Cb 0.00 -3.59 -0.06 0.00 -1.68 0.00 0.00 37.83 32.50 2gr8 s LYS 1087CO 0.00 -0.18 0.40 0.95 -0.76 0.00 0.00 175.35 175.76 2gr8 s THR 1088N 1.74 5.14 0.01 2.17 -4.23 -1.26 -3.37 115.64 115.85 2gr8 s THR 1088Ca 0.20 0.11 -0.03 0.00 -1.18 0.00 0.00 61.69 60.79 2gr8 s THR 1088Cb -0.15 -3.62 -0.01 0.00 1.34 0.00 0.00 72.50 70.05 2gr8 s THR 1088CO 0.09 0.04 0.04 -0.83 -0.54 0.00 0.00 174.62 173.42 2gr8 s GLY 1089N -2.38 0.16 0.04 3.99 0.00 -0.29 -4.97 107.32 103.87 2gr8 s GLY 1089Ca 0.41 -0.41 0.05 0.00 0.00 0.00 0.00 44.72 44.77 2gr8 s GLY 1089CO 0.24 -0.51 -0.15 -1.34 0.00 0.00 0.00 173.10 171.34 2gr8 s VAL 1090N -1.43 1.22 -0.08 1.40 -7.23 -1.26 0.15 120.40 113.15 2gr8 s VAL 1090Ca -0.16 -1.02 -0.14 0.00 -1.81 0.00 0.00 61.98 58.85 2gr8 s VAL 1090Cb -0.09 -1.09 0.03 0.00 0.56 0.00 0.00 36.38 35.79 2gr8 s VAL 1090CO 0.00 0.05 0.34 0.00 -0.31 0.00 0.00 175.10 175.19 2gr8 s ALA 1091N -0.82 -0.86 -0.03 1.32 0.00 -0.50 -5.02 121.76 115.86 2gr8 s ALA 1091Ca 0.03 0.74 -0.05 0.00 0.00 0.00 0.00 51.96 52.67 2gr8 s ALA 1091Cb -0.08 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.74 2gr8 s ALA 1091CO 0.01 -0.21 0.13 0.00 0.00 0.00 0.00 175.76 175.69 2gr8 s ALA 1092N -0.44 -0.31 0.04 0.00 0.00 -1.26 -0.19 121.76 119.59 2gr8 s ALA 1092Ca -0.06 0.16 -0.02 0.00 0.00 0.00 0.00 51.96 52.04 2gr8 s ALA 1092Cb -0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 2gr8 s ALA 1092CO 0.02 -0.12 0.00 0.20 0.00 0.00 0.00 175.76 175.87 2gr8 s GLY 1093N -0.49 0.31 0.01 0.00 0.00 0.59 -4.99 107.32 102.74 2gr8 s GLY 1093Ca -0.06 -0.82 0.03 0.00 0.00 0.00 0.00 44.72 43.87 2gr8 s GLY 1093CO 0.01 -0.92 -0.08 0.54 0.00 0.00 0.00 173.10 172.64 2gr8 s VAL 1094N -2.71 0.62 0.03 1.40 0.11 -1.26 -0.89 120.40 117.71 2gr8 s VAL 1094Ca -0.04 -0.53 0.00 0.00 -2.93 0.00 0.00 61.98 58.48 2gr8 s VAL 1094Cb -0.01 -0.56 -0.03 0.00 -1.53 0.00 0.00 36.38 34.26 2gr8 s VAL 1094CO -0.05 0.04 -0.04 -0.83 -3.33 0.00 0.00 175.10 170.89 2gr8 s GLY 1095N -0.53 0.35 -0.07 6.54 0.00 0.34 -5.00 107.32 108.95 2gr8 s GLY 1095Ca 0.00 -0.77 0.01 0.00 0.00 0.00 0.00 44.72 43.96 2gr8 s GLY 1095CO 0.00 -0.85 -0.07 -0.47 0.00 0.00 0.00 173.10 171.71 2gr8 s TYR 1096N -2.04 1.11 -0.01 1.90 5.04 -1.26 -1.37 117.35 120.73 2gr8 s TYR 1096Ca -0.09 -0.41 0.06 0.00 -2.44 0.00 0.00 57.07 54.19 2gr8 s TYR 1096Cb -0.06 -0.91 -0.03 0.00 0.35 0.00 0.00 41.96 41.31 2gr8 s TYR 1096CO -0.03 -0.29 -0.18 1.14 -1.34 0.00 0.00 175.55 174.86 2gr8 s GLN 1097N 1.04 2.25 0.00 4.97 -2.07 -0.20 -5.03 119.66 120.62 2gr8 s GLN 1097Ca -0.08 -0.85 0.00 0.00 -1.82 0.00 0.00 55.36 52.60 2gr8 s GLN 1097Cb -0.14 -2.24 0.00 0.00 -1.09 0.00 0.00 33.01 29.54 2gr8 s GLN 1097CO -0.00 0.58 0.00 -2.67 -1.32 0.00 0.00 175.29 171.87