#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pop n PHE 1023N 0.00 0.00 0.03 -0.32 0.99 -1.26 -1.13 117.46 115.77 2pop n PHE 1023Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.36 2pop n PHE 1023Cb 0.00 0.00 0.06 0.00 -1.00 0.00 0.00 39.48 38.54 2pop n PHE 1023CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 2pop h VAL 1024N 0.00 1.34 -2.98 -4.37 2.07 -2.00 -3.42 116.25 106.89 2pop h VAL 1024Ca 0.00 -1.89 -0.55 0.00 0.82 0.00 0.00 66.70 65.07 2pop h VAL 1024Cb 0.00 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 2pop h VAL 1024CO 0.00 0.58 0.80 -0.70 0.02 0.00 0.00 177.57 178.27 2pop s GLU 1025N -3.88 4.30 0.26 1.57 2.56 -0.28 -4.93 118.70 118.29 2pop s GLU 1025Ca -0.06 1.75 -0.03 0.00 0.00 0.00 0.00 54.97 56.63 2pop s GLU 1025Cb 0.11 -3.63 0.40 0.00 2.00 0.00 0.00 34.13 33.01 2pop s GLU 1025CO 0.83 -0.56 1.86 1.49 -0.56 0.00 0.00 175.26 178.33 2pop h GLU 1026N 7.82 1.05 -0.94 4.30 4.81 -1.89 -2.65 114.58 127.08 2pop h GLU 1026Ca -0.33 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 58.89 2pop h GLU 1026Cb 1.15 -0.24 -0.06 0.00 0.63 0.00 0.00 28.75 30.23 2pop h GLU 1026CO 0.91 0.69 0.60 0.35 -0.73 0.00 0.00 179.01 180.83 2pop h PHE 1027N 1.08 1.11 0.08 0.92 3.57 -1.96 -2.44 116.94 119.31 2pop h PHE 1027Ca 0.42 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.95 2pop h PHE 1027Cb 0.21 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.59 2pop h PHE 1027CO -0.01 0.59 -0.04 -0.91 -2.23 0.00 0.00 178.31 175.71 2pop h ASN 1028N 1.11 -0.09 -0.94 0.41 -0.26 -1.82 -2.42 115.58 111.56 2pop h ASN 1028Ca 0.40 -0.07 0.18 0.00 -0.56 0.00 0.00 56.30 56.26 2pop h ASN 1028Cb 0.13 0.02 -0.11 0.00 -1.06 0.00 0.00 38.32 37.30 2pop h ASN 1028CO -0.16 0.01 0.52 0.03 -1.06 0.00 0.00 177.43 176.77 2pop h ARG 1029N -0.18 0.63 -0.70 0.81 3.08 -1.40 0.17 114.38 116.79 2pop h ARG 1029Ca -0.01 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2pop h ARG 1029Cb 0.15 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 2pop h ARG 1029CO 0.02 0.42 0.40 1.25 -1.07 0.00 0.00 179.97 180.99 2pop h LEU 1030N 0.65 0.86 -1.97 3.04 6.46 -1.12 -2.48 115.31 120.75 2pop h LEU 1030Ca 0.54 -0.08 0.11 0.00 -0.12 0.00 0.00 57.88 58.33 2pop h LEU 1030Cb 0.87 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.56 2pop h LEU 1030CO -0.41 0.69 0.28 0.11 -0.62 0.00 0.00 178.44 178.50 2pop h LYS 1031N 0.96 0.03 0.00 1.25 1.57 -0.18 -1.26 116.57 118.94 2pop h LYS 1031Ca 0.25 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2pop h LYS 1031Cb 0.01 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2pop h LYS 1031CO -0.04 0.02 0.00 0.25 -0.57 0.00 0.00 179.45 179.11 2pop n THR 1032N -4.43 0.00 0.52 -0.16 -2.24 -0.93 -3.02 114.28 104.02 2pop n THR 1032Ca 0.06 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.94 2pop n THR 1032Cb 0.46 -0.34 0.13 0.00 -2.10 0.00 0.00 70.33 68.47 2pop n THR 1032CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2pop n PHE 1033N -0.68 0.21 -0.30 4.78 3.01 -0.48 -4.35 117.46 119.66 2pop n PHE 1033Ca 0.06 -0.13 0.23 0.00 1.01 0.00 0.00 57.45 58.61 2pop n PHE 1033Cb 0.03 -0.00 0.52 0.00 -0.01 0.00 0.00 39.48 40.02 2pop n PHE 1033CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2pop h ALA 1034N 3.73 2.28 -0.41 4.37 0.00 -1.73 -0.06 119.26 127.44 2pop h ALA 1034Ca 0.00 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2pop h ALA 1034Cb 0.83 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 2pop h ALA 1034CO 0.00 -0.65 0.05 0.09 0.00 0.00 0.00 179.25 178.74 2pop n ASN 1035N -4.57 3.91 -4.73 0.00 3.02 -1.26 -5.01 115.26 106.62 2pop n ASN 1035Ca 0.24 -3.22 -0.42 0.00 -0.03 0.00 0.00 54.58 51.15 2pop n ASN 1035Cb 0.85 -0.62 -0.02 0.00 -0.61 0.00 0.00 39.78 39.38 2pop n ASN 1035CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2pop s PHE 1036N -2.96 2.84 -0.16 3.10 5.36 -0.04 -4.85 117.98 121.27 2pop s PHE 1036Ca 0.46 0.48 -0.36 0.00 -0.96 0.00 0.00 56.93 56.55 2pop s PHE 1036Cb 0.38 -4.13 -0.13 0.00 -0.34 0.00 0.00 43.02 38.80 2pop s PHE 1036CO 0.08 -4.12 1.85 -0.35 -1.46 0.00 0.00 175.22 171.23 2pop n PRO 1037N 3.37 1.81 -2.21 10.12 -0.04 -1.26 -4.92 135.00 141.86 2pop n PRO 1037Ca 0.13 0.66 -0.40 0.00 -0.04 0.00 0.00 63.50 63.85 2pop n PRO 1037Cb 0.36 -2.47 -0.03 0.00 -0.04 0.00 0.00 33.50 31.32 2pop n PRO 1037CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2pop s SER 1038N 4.08 6.85 0.00 3.54 1.04 -1.26 -3.29 113.70 124.66 2pop s SER 1038Ca 0.95 2.56 0.00 0.00 0.48 0.00 0.00 55.95 59.94 2pop s SER 1038Cb -0.82 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 62.66 2pop s SER 1038CO 0.56 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.93 2pop n GLY 1039N 0.87 0.84 3.75 7.32 0.00 -1.26 -5.10 105.19 111.62 2pop n GLY 1039Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2pop n GLY 1039CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pop s SER 1040N -1.09 7.59 0.02 1.61 0.01 -1.21 -5.02 113.70 115.61 2pop s SER 1040Ca 0.00 1.88 -0.18 0.00 1.31 0.00 0.00 55.95 58.96 2pop s SER 1040Cb 0.00 -2.59 -0.10 0.00 0.21 0.00 0.00 66.02 63.54 2pop s SER 1040CO 0.00 0.13 1.06 1.55 0.41 0.00 0.00 173.24 176.39 2pop h PRO 1041N 4.41 -0.62 -6.82 12.44 0.13 -1.89 -3.45 132.00 136.20 2pop h PRO 1041Ca -0.45 0.04 -0.53 0.00 -0.87 0.00 0.00 66.00 64.20 2pop h PRO 1041Cb 1.20 0.14 0.07 0.00 0.13 0.00 0.00 31.00 32.54 2pop h PRO 1041CO 0.68 -0.41 0.75 0.08 -0.23 0.00 0.00 178.00 178.87 2pop s VAL 1042N -4.05 2.51 0.25 1.56 1.01 -1.26 -4.97 120.40 115.44 2pop s VAL 1042Ca -0.09 0.46 -0.30 0.00 0.00 0.00 0.00 61.98 62.05 2pop s VAL 1042Cb 0.01 -3.29 -0.09 0.00 0.00 0.00 0.00 36.38 33.00 2pop s VAL 1042CO 0.28 0.09 1.30 -0.55 0.00 0.00 0.00 175.10 176.22 2pop s SER 1043N 0.08 6.88 0.09 3.32 0.15 -1.26 -4.95 113.70 118.01 2pop s SER 1043Ca 0.56 2.49 -0.31 0.00 0.70 0.00 0.00 55.95 59.39 2pop s SER 1043Cb -0.43 -2.62 -0.13 0.00 -1.71 0.00 0.00 66.02 61.13 2pop s SER 1043CO 0.49 -0.51 1.62 0.00 1.20 0.00 0.00 173.24 176.05 2pop h ALA 1044N 4.65 -0.74 -0.95 5.45 0.00 -1.97 -1.86 119.26 123.85 2pop h ALA 1044Ca -0.46 -0.12 0.25 0.00 0.00 0.00 0.00 54.91 54.58 2pop h ALA 1044Cb 1.22 0.49 -0.13 0.00 0.00 0.00 0.00 17.79 19.36 2pop h ALA 1044CO 0.73 -0.95 0.48 0.66 0.00 0.00 0.00 179.25 180.17 2pop h SER 1045N -0.72 0.45 -0.42 0.00 4.64 -1.95 0.27 113.55 115.82 2pop h SER 1045Ca -0.02 0.16 -0.10 0.00 -0.47 0.00 0.00 61.79 61.36 2pop h SER 1045Cb 0.65 0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.83 2pop h SER 1045CO -0.05 -0.00 -0.08 0.74 -0.87 0.00 0.00 176.83 176.56 2pop h THR 1046N 0.43 1.26 -0.18 2.95 2.02 -1.82 -1.52 112.91 116.06 2pop h THR 1046Ca 0.62 -1.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.63 2pop h THR 1046Cb 1.23 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 2pop h THR 1046CO -0.54 0.41 0.10 -0.07 0.37 0.00 0.00 175.52 175.79 2pop h LEU 1047N 0.78 0.22 -0.09 2.58 3.38 0.29 -2.23 115.31 120.25 2pop h LEU 1047Ca 0.13 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2pop h LEU 1047Cb 0.59 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 2pop h LEU 1047CO 0.04 0.24 0.05 0.00 0.09 0.00 0.00 178.44 178.86 2pop h ALA 1048N 0.99 0.11 -0.97 1.53 0.00 -1.12 -1.07 119.26 118.73 2pop h ALA 1048Ca 0.06 -0.02 0.23 0.00 0.00 0.00 0.00 54.91 55.19 2pop h ALA 1048Cb 0.07 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 2pop h ALA 1048CO -0.01 -0.39 0.64 -0.09 0.00 0.00 0.00 179.25 179.40 2pop h ARG 1049N 0.10 0.38 0.00 0.00 9.65 -1.15 1.30 114.38 124.65 2pop h ARG 1049Ca 0.03 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 2pop h ARG 1049Cb 0.01 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.50 2pop h ARG 1049CO -0.01 0.25 0.00 0.00 2.80 0.00 0.00 179.97 183.01 2pop n ALA 1050N -2.51 2.47 -0.50 2.80 0.00 -0.47 -4.86 120.51 117.44 2pop n ALA 1050Ca 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2pop n ALA 1050Cb 0.79 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.84 2pop n ALA 1050CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pop n GLY 1051N 0.63 0.75 3.85 0.00 0.00 0.45 -4.90 105.19 105.97 2pop n GLY 1051Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 2pop n GLY 1051CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pop s PHE 1052N -2.77 3.51 0.01 1.61 2.99 -0.82 -1.83 117.98 120.68 2pop s PHE 1052Ca 0.00 1.37 0.00 0.00 0.00 0.00 0.00 56.93 58.30 2pop s PHE 1052Cb 0.00 -2.77 -0.01 0.00 0.00 0.00 0.00 43.02 40.24 2pop s PHE 1052CO 0.00 -0.62 -0.03 -0.48 -0.00 0.00 0.00 175.22 174.09 2pop s LEU 1053N -4.77 2.13 -0.21 -0.37 0.05 -0.89 -4.24 118.68 110.38 2pop s LEU 1053Ca 0.57 -0.28 -0.28 0.00 0.05 0.00 0.00 54.13 54.19 2pop s LEU 1053Cb -0.11 -0.00 0.00 0.00 -2.05 0.00 0.00 46.19 44.03 2pop s LEU 1053CO 0.45 -0.14 0.96 -0.47 -0.55 0.00 0.00 176.35 176.60 2pop s TYR 1054N -0.79 3.36 -0.02 3.48 6.04 -1.26 -1.31 117.35 126.85 2pop s TYR 1054Ca -0.08 1.37 -0.22 0.00 0.04 0.00 0.00 57.07 58.19 2pop s TYR 1054Cb -0.06 -3.18 -0.14 0.00 -1.04 0.00 0.00 41.96 37.55 2pop s TYR 1054CO -0.00 -0.41 0.96 1.79 -1.54 0.00 0.00 175.55 176.35 2pop h THR 1055N 5.38 0.43 0.00 4.34 1.35 -1.85 -3.47 112.91 119.08 2pop h THR 1055Ca -0.22 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 2pop h THR 1055Cb 1.09 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 2pop h THR 1055CO 0.92 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 176.89 2pop n GLY 1056N 0.04 0.80 3.46 5.82 0.00 -1.26 -5.12 105.19 108.93 2pop n GLY 1056Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 2pop n GLY 1056CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pop s GLU 1057N 0.00 3.64 6.05 1.61 8.01 -1.26 -5.00 118.70 131.75 2pop s GLU 1057Ca 0.00 -0.51 0.00 0.00 0.01 0.00 0.00 54.97 54.47 2pop s GLU 1057Cb 0.00 -3.07 0.00 0.00 -4.31 0.00 0.00 34.13 26.75 2pop s GLU 1057CO 0.00 0.05 0.00 0.41 0.01 0.00 0.00 175.26 175.73 2pop n GLY 1058N 4.14 3.24 1.80 -1.39 0.00 -1.26 -2.14 105.19 109.58 2pop n GLY 1058Ca -0.17 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 2pop n GLY 1058CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pop n ASP 1059N 3.37 4.56 -4.75 1.61 5.75 -1.26 -4.60 116.55 121.23 2pop n ASP 1059Ca 0.00 -3.78 -0.39 0.00 -0.01 0.00 0.00 54.79 50.61 2pop n ASP 1059Cb 0.00 -0.44 -0.05 0.00 -1.03 0.00 0.00 41.12 39.60 2pop n ASP 1059CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2pop s THR 1060N -4.35 4.94 0.18 2.12 2.01 -0.91 -4.32 115.64 115.32 2pop s THR 1060Ca 0.50 1.33 0.04 0.00 0.31 0.00 0.00 61.69 63.87 2pop s THR 1060Cb 0.41 -3.98 -0.05 0.00 0.01 0.00 0.00 72.50 68.90 2pop s THR 1060CO 0.02 0.36 -0.07 0.68 -0.69 0.00 0.00 174.62 174.92 2pop s VAL 1061N 0.14 1.17 -0.02 3.82 -7.23 0.11 -2.86 120.40 115.53 2pop s VAL 1061Ca 0.33 -2.06 -0.01 0.00 -1.81 0.00 0.00 61.98 58.43 2pop s VAL 1061Cb -0.18 -2.06 0.02 0.00 0.56 0.00 0.00 36.38 34.72 2pop s VAL 1061CO 0.18 -0.57 0.05 -0.60 -0.31 0.00 0.00 175.10 173.84 2pop s ARG 1062N -3.78 0.03 0.08 4.82 3.52 -0.43 0.45 118.95 123.63 2pop s ARG 1062Ca 0.22 0.13 -0.31 0.00 -0.13 0.00 0.00 55.73 55.64 2pop s ARG 1062Cb 0.03 -0.08 -0.08 0.00 -1.56 0.00 0.00 34.95 33.26 2pop s ARG 1062CO 0.04 -0.07 1.67 0.00 -0.81 0.00 0.00 175.30 176.13 2pop h PHE 1064N 8.30 0.00 0.00 0.00 -5.15 -1.70 0.38 116.94 118.77 2pop h PHE 1064Ca -0.43 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.34 2pop h PHE 1064Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.37 2pop h PHE 1064CO 0.78 0.00 0.00 0.45 -2.00 0.00 0.00 178.31 177.54 2pop n SER 1065N -2.54 0.00 0.00 -0.68 2.88 -1.26 -4.58 113.62 107.44 2pop n SER 1065Ca -0.01 0.11 0.11 0.00 -1.33 0.00 0.00 58.87 57.76 2pop n SER 1065Cb 0.11 -0.23 0.65 0.00 -0.75 0.00 0.00 64.21 63.99 2pop n SER 1065CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2pop n HIS 1067N -0.88 -0.26 -2.47 0.00 8.25 0.13 -4.89 115.22 115.10 2pop n HIS 1067Ca 0.16 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.25 2pop n HIS 1067Cb 0.07 -1.97 -0.04 0.00 1.12 0.00 0.00 29.99 29.18 2pop n HIS 1067CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pop s ALA 1068N -1.41 3.15 0.15 -1.41 0.00 -1.25 -4.67 121.76 116.32 2pop s ALA 1068Ca 0.00 0.80 0.06 0.00 0.00 0.00 0.00 51.96 52.82 2pop s ALA 1068Cb 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 2pop s ALA 1068CO 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 175.76 175.48 2pop s ALA 1069N -1.51 3.23 -0.04 0.00 0.00 -1.26 0.17 121.76 122.35 2pop s ALA 1069Ca 0.55 -1.28 -0.02 0.00 0.00 0.00 0.00 51.96 51.22 2pop s ALA 1069Cb -0.26 -1.06 0.03 0.00 0.00 0.00 0.00 23.12 21.83 2pop s ALA 1069CO 0.32 0.55 0.08 0.08 0.00 0.00 0.00 175.76 176.80 2pop s VAL 1070N -1.58 -0.04 0.00 0.00 1.01 0.17 -4.95 120.40 115.02 2pop s VAL 1070Ca 0.27 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2pop s VAL 1070Cb -0.10 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.13 2pop s VAL 1070CO 0.18 0.06 0.00 -0.90 0.00 0.00 0.00 175.10 174.45 2pop n ASP 1071N 3.96 0.06 -3.90 3.32 5.68 -1.26 -0.72 116.55 123.70 2pop n ASP 1071Ca -0.24 -0.63 -0.27 0.00 -0.50 0.00 0.00 54.79 53.14 2pop n ASP 1071Cb 0.53 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.50 2pop n ASP 1071CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2pop n ARG 1072N 0.00 -2.88 -1.71 0.11 1.74 -1.26 -4.94 116.66 107.72 2pop n ARG 1072Ca 0.00 0.41 -0.32 0.00 -0.77 0.00 0.00 57.85 57.17 2pop n ARG 1072Cb 0.00 -4.41 0.05 0.00 -1.02 0.00 0.00 32.46 27.07 2pop n ARG 1072CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2pop s TRP 1073N -3.85 2.81 0.05 -1.55 0.52 -1.26 -5.07 118.94 110.58 2pop s TRP 1073Ca 0.10 1.52 -0.01 0.00 0.02 0.00 0.00 56.10 57.73 2pop s TRP 1073Cb -0.04 -3.05 -0.04 0.00 -1.15 0.00 0.00 33.47 29.20 2pop s TRP 1073CO 0.88 -1.46 -0.03 -0.65 0.02 0.00 0.00 176.95 175.71 2pop s GLN 1074N -4.41 0.59 0.28 4.98 -0.21 -1.26 -4.87 119.66 114.76 2pop s GLN 1074Ca 0.63 -1.16 -0.30 0.00 0.02 0.00 0.00 55.36 54.55 2pop s GLN 1074Cb -0.17 0.17 -0.12 0.00 1.00 0.00 0.00 33.01 33.89 2pop s GLN 1074CO 0.45 -0.10 1.55 0.66 -2.12 0.00 0.00 175.29 175.74 2pop n TYR 1075N 0.27 2.71 -0.24 0.91 4.02 -1.26 -2.40 117.16 121.17 2pop n TYR 1075Ca -0.15 0.30 0.00 0.00 -0.01 0.00 0.00 57.90 58.04 2pop n TYR 1075Cb 0.60 -2.57 0.00 0.00 -0.02 0.00 0.00 39.34 37.36 2pop n TYR 1075CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2pop n GLY 1076N 2.11 0.71 3.80 2.72 0.00 -1.26 -5.06 105.19 108.21 2pop n GLY 1076Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 2pop n GLY 1076CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pop s ASP 1077N -2.67 6.12 -0.22 1.61 1.11 -1.01 -5.05 116.67 116.56 2pop s ASP 1077Ca 0.00 1.90 -0.05 0.00 0.18 0.00 0.00 52.55 54.58 2pop s ASP 1077Cb 0.00 -2.55 -0.02 0.00 1.07 0.00 0.00 42.92 41.42 2pop s ASP 1077CO 0.00 -0.93 -0.01 -0.55 1.18 0.00 0.00 175.17 174.86 2pop s SER 1078N -2.27 4.56 0.07 0.27 0.15 -1.26 -4.90 113.70 110.32 2pop s SER 1078Ca 0.66 -0.33 -0.26 0.00 0.70 0.00 0.00 55.95 56.73 2pop s SER 1078Cb -0.16 -1.79 -0.12 0.00 -1.71 0.00 0.00 66.02 62.23 2pop s SER 1078CO 0.26 -0.01 1.40 0.00 1.20 0.00 0.00 173.24 176.09 2pop h ALA 1079N 8.07 -0.99 -0.83 5.45 0.00 -1.96 0.36 119.26 129.35 2pop h ALA 1079Ca -0.40 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.45 2pop h ALA 1079Cb 1.17 0.66 -0.05 0.00 0.00 0.00 0.00 17.79 19.56 2pop h ALA 1079CO 0.60 -1.04 0.54 0.28 0.00 0.00 0.00 179.25 179.63 2pop h VAL 1080N -0.67 1.06 0.61 0.00 2.07 -1.92 -0.77 116.25 116.63 2pop h VAL 1080Ca -0.03 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 2pop h VAL 1080Cb 0.61 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 2pop h VAL 1080CO -0.10 0.17 -0.31 1.23 0.02 0.00 0.00 177.57 178.58 2pop h GLY 1081N 0.94 -0.93 0.16 2.17 0.00 -1.76 0.44 103.07 104.08 2pop h GLY 1081Ca 0.35 0.35 0.18 0.00 0.00 0.00 0.00 47.33 48.22 2pop h GLY 1081CO -0.12 -0.33 0.61 3.21 0.00 0.00 0.00 176.54 179.91 2pop h ARG 1082N -0.85 0.76 0.06 4.80 2.47 -0.20 -1.57 114.38 119.85 2pop h ARG 1082Ca -0.08 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.59 2pop h ARG 1082Cb 0.66 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.80 2pop h ARG 1082CO 0.12 0.51 -0.03 1.25 0.56 0.00 0.00 179.97 182.38 2pop h HIS 1083N 0.79 -0.07 -0.20 3.04 2.76 -0.88 -0.61 115.15 119.98 2pop h HIS 1083Ca 0.57 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.70 2pop h HIS 1083Cb 0.86 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.83 2pop h HIS 1083CO -0.01 -0.01 -0.05 -0.09 -1.30 0.00 0.00 177.93 176.47 2pop h ARG 1084N -0.11 0.30 0.11 5.26 2.43 0.02 -1.57 114.38 120.82 2pop h ARG 1084Ca -0.01 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2pop h ARG 1084Cb 0.09 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2pop h ARG 1084CO 0.01 0.36 -0.05 -0.22 -1.51 0.00 0.00 179.97 178.56 2pop h LYS 1085N 0.29 -0.15 0.37 0.20 3.64 -0.96 -2.39 116.57 117.57 2pop h LYS 1085Ca 0.06 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 2pop h LYS 1085Cb 0.27 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2pop h LYS 1085CO 0.01 0.23 -0.24 0.28 -2.27 0.00 0.00 179.45 177.46 2pop h VAL 1086N -0.56 0.00 -3.40 2.00 2.07 -0.91 -3.36 116.25 112.09 2pop h VAL 1086Ca -0.02 0.00 -0.68 0.00 0.82 0.00 0.00 66.70 66.82 2pop h VAL 1086Cb 0.45 0.00 -0.37 0.00 -1.52 0.00 0.00 31.29 29.85 2pop h VAL 1086CO 0.03 0.00 -0.36 -0.55 0.02 0.00 0.00 177.57 176.71 2pop s SER 1087N -3.11 5.25 0.00 0.57 0.15 -0.61 -4.95 113.70 111.00 2pop s SER 1087Ca -0.09 -3.26 0.00 0.00 0.70 0.00 0.00 55.95 53.29 2pop s SER 1087Cb 0.01 -1.81 0.00 0.00 -1.71 0.00 0.00 66.02 62.52 2pop s SER 1087CO 0.29 -0.26 0.07 -0.81 1.20 0.00 0.00 173.24 173.74 2pop n PRO 1088N 2.89 0.14 0.00 5.44 -0.04 -0.90 -2.68 135.00 139.86 2pop n PRO 1088Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2pop n PRO 1088Cb 0.36 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 2pop n PRO 1088CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2pop n ASN 1089N 0.46 0.00 -3.64 3.54 3.02 -1.26 -5.00 115.26 112.37 2pop n ASN 1089Ca 0.00 -1.00 -0.31 0.00 -0.03 0.00 0.00 54.58 53.24 2pop n ASN 1089Cb 0.04 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.12 2pop n ASN 1089CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pop n ARG 1091N 6.62 0.00 -0.36 0.00 1.74 -1.26 0.16 116.66 123.55 2pop n ARG 1091Ca 0.32 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.41 2pop n ARG 1091Cb 0.36 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.86 2pop n ARG 1091CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2pop n PHE 1092N 0.00 0.10 0.32 -1.55 7.35 -1.26 0.26 117.46 122.69 2pop n PHE 1092Ca 0.00 1.18 0.21 0.00 -0.76 0.00 0.00 57.45 58.08 2pop n PHE 1092Cb 0.00 -0.91 1.08 0.00 0.35 0.00 0.00 39.48 40.00 2pop n PHE 1092CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2pop h ILE 1093N 0.00 0.02 -0.59 -2.13 1.08 0.11 -1.83 117.51 114.17 2pop h ILE 1093Ca 0.36 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.70 2pop h ILE 1093Cb 0.60 1.13 0.00 0.00 -3.07 0.00 0.00 36.82 35.49 2pop h ILE 1093CO -0.96 0.00 0.00 0.59 -0.69 0.00 0.00 178.15 177.09 2pop n ASN 1094N -3.11 3.72 -0.00 1.72 4.13 0.74 -4.98 115.26 117.48 2pop n ASN 1094Ca -0.02 -2.08 -0.00 0.00 1.68 0.00 0.00 54.58 54.16 2pop n ASN 1094Cb 0.13 -0.42 -0.00 0.00 -1.54 0.00 0.00 39.78 37.95 2pop n ASN 1094CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2pop n GLY 1095N 1.16 0.47 0.92 7.41 0.00 -0.26 -4.90 105.19 109.98 2pop n GLY 1095Ca 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 2pop n GLY 1095CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pop n PHE 1096N -2.95 0.18 -3.55 1.61 3.72 -1.15 -4.50 117.46 110.82 2pop n PHE 1096Ca -0.00 -0.41 -0.27 0.00 -0.05 0.00 0.00 57.45 56.72 2pop n PHE 1096Cb 0.02 -0.24 -0.15 0.00 -0.94 0.00 0.00 39.48 38.17 2pop n PHE 1096CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 2pop s TYR 1097N -0.51 0.21 -0.47 1.38 5.04 -1.26 -4.89 117.35 116.85 2pop s TYR 1097Ca 0.04 -0.61 0.06 0.00 -2.44 0.00 0.00 57.07 54.12 2pop s TYR 1097Cb 0.03 -0.79 0.28 0.00 0.35 0.00 0.00 41.96 41.84 2pop s TYR 1097CO 0.01 -0.72 0.99 1.28 -1.34 0.00 0.00 175.55 175.76 2pop n LEU 1098N 5.27 -2.40 -0.25 6.97 4.32 -1.26 -5.02 117.00 124.62 2pop n LEU 1098Ca -0.06 -3.62 0.12 0.00 -0.02 0.00 0.00 56.01 52.44 2pop n LEU 1098Cb 0.45 0.88 0.24 0.00 -1.62 0.00 0.00 43.42 43.37 2pop n LEU 1098CO 0.06 2.05 0.60 -0.62 -1.22 0.00 0.00 177.39 178.26 2pop n GLU 1099N 0.94 -0.06 -0.58 3.23 -0.58 -1.26 -5.28 120.64 117.06 2pop n GLU 1099Ca 0.08 1.08 0.00 0.00 -0.42 0.00 0.00 57.16 57.90 2pop n GLU 1099Cb 0.66 -1.74 0.00 0.00 -0.57 0.00 0.00 31.44 29.80 2pop n GLU 1099CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94