#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w6m n SER 1002N 0.00 0.00 -3.67 0.00 2.88 -1.26 -5.03 113.62 106.55 1w6m n SER 1002Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1w6m n SER 1002Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1w6m n SER 1002CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1w6m s GLY 1003N 0.00 -0.21 0.17 0.46 0.00 -1.19 -4.67 107.32 101.88 1w6m s GLY 1003Ca 0.00 -0.08 -0.33 0.00 0.00 0.00 0.00 44.72 44.31 1w6m s GLY 1003CO 0.00 -0.22 1.25 -0.10 0.00 0.00 0.00 173.10 174.03 1w6m n LEU 1004N -0.31 1.91 -4.04 0.66 0.00 -1.24 -4.55 117.00 109.42 1w6m n LEU 1004Ca -0.13 1.14 -0.25 0.00 0.00 0.00 0.00 56.01 56.77 1w6m n LEU 1004Cb 0.63 -1.26 -0.17 0.00 0.00 0.00 0.00 43.42 42.62 1w6m n LEU 1004CO 0.16 -1.07 -0.48 -0.69 0.00 0.00 0.00 177.39 175.32 1w6m s VAL 1005N -0.02 1.22 -0.02 1.96 1.01 -1.26 -0.84 120.40 122.44 1w6m s VAL 1005Ca 0.74 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 62.23 1w6m s VAL 1005Cb -0.82 -1.11 -0.00 0.00 0.00 0.00 0.00 36.38 34.45 1w6m s VAL 1005CO 0.50 0.37 -0.10 0.00 0.00 0.00 0.00 175.10 175.87 1w6m s ALA 1006N 0.67 0.95 0.36 5.51 0.00 0.58 -5.01 121.76 124.81 1w6m s ALA 1006Ca -0.14 -0.41 0.04 0.00 0.00 0.00 0.00 51.96 51.45 1w6m s ALA 1006Cb -0.16 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.59 1w6m s ALA 1006CO 0.04 0.18 0.07 -1.54 0.00 0.00 0.00 175.76 174.50 1w6m s SER 1007N 0.06 2.67 -1.56 0.00 1.04 -1.26 -1.03 113.70 113.62 1w6m s SER 1007Ca -0.01 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 54.96 1w6m s SER 1007Cb -0.08 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.09 1w6m s SER 1007CO 0.00 -0.68 0.00 0.59 0.98 0.00 0.00 173.24 174.14 1w6m n ASN 1008N -0.86 -5.04 -0.05 7.02 5.03 -0.51 -4.90 115.26 115.93 1w6m n ASN 1008Ca -0.04 0.10 -0.04 0.00 0.87 0.00 0.00 54.58 55.47 1w6m n ASN 1008Cb 0.66 -4.12 0.19 0.00 -1.02 0.00 0.00 39.78 35.50 1w6m n ASN 1008CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1w6m h LEU 1009N 0.00 0.64 -2.22 3.41 4.07 -1.73 -3.47 115.31 116.00 1w6m h LEU 1009Ca -0.39 -0.17 -0.52 0.00 0.08 0.00 0.00 57.88 56.88 1w6m h LEU 1009Cb 1.25 -0.17 -0.06 0.00 1.08 0.00 0.00 40.66 42.76 1w6m h LEU 1009CO 0.49 0.77 -0.92 -3.20 -1.08 0.00 0.00 178.44 174.50 1w6m n ASN 1010N -4.19 -0.89 -4.66 -0.43 5.15 -1.04 -4.89 115.26 104.31 1w6m n ASN 1010Ca 0.01 -1.08 -0.43 0.00 -0.60 0.00 0.00 54.58 52.49 1w6m n ASN 1010Cb 0.33 -2.73 -0.03 0.00 -0.53 0.00 0.00 39.78 36.82 1w6m n ASN 1010CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1w6m s LEU 1011N -7.02 4.10 0.48 1.20 2.96 0.04 -4.87 118.68 115.56 1w6m s LEU 1011Ca 0.09 1.29 0.01 0.00 -0.22 0.00 0.00 54.13 55.29 1w6m s LEU 1011Cb -0.04 -3.44 0.01 0.00 0.50 0.00 0.00 46.19 43.22 1w6m s LEU 1011CO 0.91 -0.62 0.70 -0.54 -1.32 0.00 0.00 176.35 175.48 1w6m s LYS 1012N 3.08 2.92 0.21 1.98 3.01 -1.26 -0.92 119.74 128.75 1w6m s LYS 1012Ca 0.41 -0.57 -0.32 0.00 -1.01 0.00 0.00 55.97 54.48 1w6m s LYS 1012Cb -0.15 -2.54 -0.13 0.00 -1.01 0.00 0.00 37.83 34.00 1w6m s LYS 1012CO 0.07 -0.40 1.50 -2.30 0.51 0.00 0.00 175.35 174.72 1w6m n PRO 1013N -2.15 2.14 0.00 -1.68 -0.02 -1.26 -1.82 135.00 130.21 1w6m n PRO 1013Ca 0.03 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1w6m n PRO 1013Cb 0.58 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1w6m n PRO 1013CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1w6m n GLY 1014N 2.70 0.38 0.00 -1.23 0.00 0.30 -4.97 105.19 102.37 1w6m n GLY 1014Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1w6m n GLY 1014CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1w6m n GLU 1015N -2.00 2.36 -3.53 1.61 1.02 -0.75 -4.87 120.64 114.48 1w6m n GLU 1015Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 1w6m n GLU 1015Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 1w6m n GLU 1015CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1w6m s LEU 1017N 0.00 -0.74 -0.21 -4.62 2.96 0.93 -2.75 118.68 114.25 1w6m s LEU 1017Ca 0.00 1.05 -0.03 0.00 -0.22 0.00 0.00 54.13 54.93 1w6m s LEU 1017Cb 0.00 1.90 -0.01 0.00 0.50 0.00 0.00 46.19 48.58 1w6m s LEU 1017CO 0.00 -0.15 -0.06 -0.60 -1.32 0.00 0.00 176.35 174.22 1w6m s ARG 1018N 2.27 3.37 -0.15 1.98 3.52 -0.18 0.25 118.95 130.00 1w6m s ARG 1018Ca -0.05 -0.64 0.01 0.00 -0.13 0.00 0.00 55.73 54.92 1w6m s ARG 1018Cb -0.07 -2.96 0.02 0.00 -1.56 0.00 0.00 34.95 30.38 1w6m s ARG 1018CO -0.18 -0.16 -0.18 0.08 -0.81 0.00 0.00 175.30 174.06 1w6m s VAL 1019N 1.37 1.80 -0.11 7.11 1.01 0.21 -0.65 120.40 131.14 1w6m s VAL 1019Ca 0.05 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1w6m s VAL 1019Cb -0.14 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 1w6m s VAL 1019CO -0.03 0.50 -0.18 -0.60 0.00 0.00 0.00 175.10 174.79 1w6m s ARG 1020N 1.23 3.21 0.32 2.72 3.52 -0.24 -0.66 118.95 129.04 1w6m s ARG 1020Ca 0.01 -0.77 -0.05 0.00 -0.13 0.00 0.00 55.73 54.80 1w6m s ARG 1020Cb -0.14 -2.48 0.00 0.00 -1.56 0.00 0.00 34.95 30.77 1w6m s ARG 1020CO -0.08 0.22 0.47 0.20 -0.81 0.00 0.00 175.30 175.29 1w6m s GLY 1021N 0.29 1.29 -0.20 8.12 0.00 -0.25 0.33 107.32 116.91 1w6m s GLY 1021Ca -0.13 -1.39 -0.05 0.00 0.00 0.00 0.00 44.72 43.15 1w6m s GLY 1021CO 0.07 -0.93 -0.01 -0.54 0.00 0.00 0.00 173.10 171.68 1w6m s GLU 1022N -3.24 3.60 -0.09 2.90 2.02 0.19 -0.84 118.70 123.24 1w6m s GLU 1022Ca 0.29 -0.53 -0.27 0.00 0.02 0.00 0.00 54.97 54.48 1w6m s GLU 1022Cb -0.00 -3.05 -0.02 0.00 0.10 0.00 0.00 34.13 31.16 1w6m s GLU 1022CO 0.18 0.02 0.87 0.08 0.02 0.00 0.00 175.26 176.43 1w6m s VAL 1023N 0.96 4.90 0.62 2.63 1.01 -1.06 0.10 120.40 129.56 1w6m s VAL 1023Ca 0.01 1.77 -0.18 0.00 0.00 0.00 0.00 61.98 63.59 1w6m s VAL 1023Cb -0.14 -4.19 -0.08 0.00 0.00 0.00 0.00 36.38 31.97 1w6m s VAL 1023CO 0.02 0.11 0.49 0.00 0.00 0.00 0.00 175.10 175.72 1w6m n ALA 1024N 4.48 -1.35 0.25 5.51 0.00 0.02 -0.15 120.51 129.27 1w6m n ALA 1024Ca 0.04 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.50 1w6m n ALA 1024Cb 0.50 -1.81 0.66 0.00 0.00 0.00 0.00 19.45 18.80 1w6m n ALA 1024CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1w6m h PRO 1025N 0.05 0.00 -1.06 0.00 0.13 -1.91 0.23 132.00 129.44 1w6m h PRO 1025Ca -0.45 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.18 1w6m h PRO 1025Cb 1.39 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 32.10 1w6m h PRO 1025CO 0.45 0.14 -0.89 -0.40 -0.23 0.00 0.00 178.00 177.07 1w6m n ASP 1026N -3.83 3.77 -4.77 1.44 5.68 -1.26 -4.31 116.55 113.27 1w6m n ASP 1026Ca -0.02 -3.32 -0.40 0.00 -0.50 0.00 0.00 54.79 50.55 1w6m n ASP 1026Cb 0.24 -0.44 -0.03 0.00 -1.14 0.00 0.00 41.12 39.76 1w6m n ASP 1026CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1w6m s ALA 1027N -3.52 3.41 -0.12 2.12 0.00 -1.11 -4.94 121.76 117.60 1w6m s ALA 1027Ca 0.42 1.12 0.14 0.00 0.00 0.00 0.00 51.96 53.65 1w6m s ALA 1027Cb 0.40 -3.43 -0.20 0.00 0.00 0.00 0.00 23.12 19.90 1w6m s ALA 1027CO -0.06 -0.51 0.12 1.63 0.00 0.00 0.00 175.76 176.94 1w6m n LYS 1028N 0.75 1.30 0.00 0.00 4.76 -1.26 -4.72 118.16 118.99 1w6m n LYS 1028Ca 0.01 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 1w6m n LYS 1028Cb 0.43 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 1w6m n LYS 1028CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1w6m n SER 1029N -2.45 0.00 -3.91 4.39 3.41 -1.26 -1.48 113.62 112.32 1w6m n SER 1029Ca -0.20 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.32 1w6m n SER 1029Cb 0.87 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.74 1w6m n SER 1029CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1w6m s PHE 1030N -2.00 0.26 0.07 7.33 -0.12 -1.07 -2.09 117.98 120.37 1w6m s PHE 1030Ca 0.00 -0.68 0.05 0.00 -0.05 0.00 0.00 56.93 56.25 1w6m s PHE 1030Cb 0.00 -0.10 -0.03 0.00 -0.63 0.00 0.00 43.02 42.26 1w6m s PHE 1030CO 0.00 -0.57 -0.14 0.08 -0.05 0.00 0.00 175.22 174.54 1w6m s VAL 1031N -3.90 1.10 -0.20 -2.49 1.01 0.23 -3.13 120.40 113.02 1w6m s VAL 1031Ca 0.09 -1.32 -0.03 0.00 0.00 0.00 0.00 61.98 60.71 1w6m s VAL 1031Cb 0.05 -1.08 0.06 0.00 0.00 0.00 0.00 36.38 35.41 1w6m s VAL 1031CO -0.08 -0.24 0.05 -0.22 0.00 0.00 0.00 175.10 174.61 1w6m s LEU 1032N -1.78 1.07 -0.15 3.92 2.96 -0.50 -1.83 118.68 122.38 1w6m s LEU 1032Ca -0.02 -0.84 -0.06 0.00 -0.22 0.00 0.00 54.13 52.99 1w6m s LEU 1032Cb -0.10 -0.54 -0.04 0.00 0.50 0.00 0.00 46.19 46.02 1w6m s LEU 1032CO 0.02 -0.32 0.06 0.20 -1.32 0.00 0.00 176.35 174.98 1w6m s ASN 1033N 1.90 5.63 0.03 3.68 0.01 0.15 -1.39 114.94 124.96 1w6m s ASN 1033Ca 0.00 0.16 0.04 0.00 -0.71 0.00 0.00 52.86 52.35 1w6m s ASN 1033Cb -0.17 -1.85 -0.02 0.00 0.41 0.00 0.00 41.25 39.62 1w6m s ASN 1033CO -0.10 0.27 -0.11 -0.76 -1.51 0.00 0.00 177.10 174.88 1w6m s LEU 1034N -0.19 2.15 0.00 0.60 1.43 -0.21 -0.53 118.68 121.92 1w6m s LEU 1034Ca 0.07 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1w6m s LEU 1034Cb -0.12 -0.47 0.00 0.00 0.03 0.00 0.00 46.19 45.62 1w6m s LEU 1034CO 0.01 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.21 1w6m n GLY 1035N 2.07 -0.58 0.13 -3.19 0.00 -0.49 -0.59 105.19 102.54 1w6m n GLY 1035Ca -0.18 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 44.97 1w6m n GLY 1035CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1w6m h LYS 1036N 0.00 0.23 0.00 1.61 3.64 -0.85 -0.41 116.57 120.79 1w6m h LYS 1036Ca 0.00 -0.40 -0.03 0.00 -1.27 0.00 0.00 60.65 58.95 1w6m h LYS 1036Cb 0.00 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1w6m h LYS 1036CO 0.00 1.19 0.10 -0.40 -2.27 0.00 0.00 179.45 178.07 1w6m n ASP 1037N -3.90 -0.99 0.08 4.20 5.68 -1.16 -4.18 116.55 116.27 1w6m n ASP 1037Ca -0.26 -1.75 0.07 0.00 -0.50 0.00 0.00 54.79 52.35 1w6m n ASP 1037Cb 0.91 1.67 0.34 0.00 -1.14 0.00 0.00 41.12 42.90 1w6m n ASP 1037CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1w6m n SER 1038N -1.34 0.32 -0.19 -1.12 3.41 -1.26 -2.13 113.62 111.31 1w6m n SER 1038Ca -0.03 0.63 0.04 0.00 -0.26 0.00 0.00 58.87 59.24 1w6m n SER 1038Cb 0.27 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 1w6m n SER 1038CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1w6m n ASN 1039N -1.91 1.11 -3.65 4.04 3.02 -1.26 -4.82 115.26 111.79 1w6m n ASN 1039Ca 0.00 -1.06 -0.29 0.00 -0.03 0.00 0.00 54.58 53.20 1w6m n ASN 1039Cb 0.07 0.45 -0.13 0.00 -0.61 0.00 0.00 39.78 39.55 1w6m n ASN 1039CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1w6m s ASN 1040N -1.17 3.51 -0.19 6.41 0.01 -0.91 -1.03 114.94 121.57 1w6m s ASN 1040Ca 0.07 -2.45 -0.05 0.00 -0.71 0.00 0.00 52.86 49.72 1w6m s ASN 1040Cb 0.07 -0.87 -0.03 0.00 0.41 0.00 0.00 41.25 40.83 1w6m s ASN 1040CO 0.20 -0.29 0.01 -0.76 -1.51 0.00 0.00 177.10 174.75 1w6m s LEU 1041N 0.62 3.40 0.31 0.60 1.43 0.55 -0.17 118.68 125.43 1w6m s LEU 1041Ca 0.17 -0.11 0.23 0.00 -1.03 0.00 0.00 54.13 53.39 1w6m s LEU 1041Cb -0.24 -1.85 0.32 0.00 0.03 0.00 0.00 46.19 44.45 1w6m s LEU 1041CO -0.01 0.12 1.46 0.00 0.23 0.00 0.00 176.35 178.14 1w6m s LEU 1043N -5.54 -0.67 -0.54 0.00 2.96 -0.80 -4.74 118.68 109.35 1w6m s LEU 1043Ca 0.06 0.77 -0.06 0.00 -0.22 0.00 0.00 54.13 54.68 1w6m s LEU 1043Cb 0.08 1.32 0.14 0.00 0.50 0.00 0.00 46.19 48.23 1w6m s LEU 1043CO 0.70 -0.25 0.38 -2.28 -1.32 0.00 0.00 176.35 173.57 1w6m s HIS 1044N 2.61 3.50 -0.48 5.38 5.65 0.53 -1.04 115.29 131.44 1w6m s HIS 1044Ca 0.03 -2.33 -0.22 0.00 0.25 0.00 0.00 55.06 52.79 1w6m s HIS 1044Cb -0.13 -3.35 0.03 0.00 -1.18 0.00 0.00 32.58 27.95 1w6m s HIS 1044CO -0.14 -0.94 0.76 0.12 -0.65 0.00 0.00 174.74 173.90 1w6m s PHE 1045N 0.70 2.97 -0.54 3.88 5.36 -0.48 -1.92 117.98 127.95 1w6m s PHE 1045Ca 0.11 -0.05 0.04 0.00 -0.96 0.00 0.00 56.93 56.07 1w6m s PHE 1045Cb -0.22 -3.66 0.16 0.00 -0.34 0.00 0.00 43.02 38.96 1w6m s PHE 1045CO -0.03 -1.05 0.36 1.21 -1.46 0.00 0.00 175.22 174.25 1w6m s ASN 1046N 2.35 3.68 -0.01 6.13 3.04 0.78 -1.41 114.94 129.50 1w6m s ASN 1046Ca 0.26 -3.23 -0.30 0.00 0.04 0.00 0.00 52.86 49.63 1w6m s ASN 1046Cb -0.14 -1.19 -0.05 0.00 -1.54 0.00 0.00 41.25 38.33 1w6m s ASN 1046CO 0.19 -0.17 1.39 -2.84 -3.04 0.00 0.00 177.10 172.63 1w6m s PRO 1047N -0.47 4.28 -0.28 0.43 0.02 -1.18 -1.26 135.00 136.54 1w6m s PRO 1047Ca 0.24 1.94 -0.02 0.00 0.02 0.00 0.00 61.00 63.18 1w6m s PRO 1047Cb -0.11 -3.60 0.04 0.00 0.02 0.00 0.00 34.50 30.85 1w6m s PRO 1047CO -0.11 -0.59 -0.01 1.03 -0.33 0.00 0.00 177.00 177.00 1w6m s ARG 1048N 2.51 2.66 -0.04 5.54 0.52 0.15 -2.58 118.95 127.71 1w6m s ARG 1048Ca 0.63 -1.11 -0.25 0.00 -0.52 0.00 0.00 55.73 54.48 1w6m s ARG 1048Cb -0.31 -3.14 -0.21 0.00 0.52 0.00 0.00 34.95 31.82 1w6m s ARG 1048CO 0.26 -0.52 1.16 0.74 0.02 0.00 0.00 175.30 176.96 1w6m h PHE 1049N 8.04 0.12 -1.16 -0.53 -1.00 -1.53 0.11 116.94 120.99 1w6m h PHE 1049Ca -0.27 -0.05 -0.08 0.00 2.81 0.00 0.00 57.97 60.38 1w6m h PHE 1049Cb 1.09 -0.02 -0.22 0.00 3.61 0.00 0.00 35.95 40.41 1w6m h PHE 1049CO 0.60 0.70 -0.47 1.21 -1.61 0.00 0.00 178.31 178.74 1w6m s ASN 1050N -5.97 -1.12 -0.27 2.17 2.47 -0.73 -0.20 114.94 111.30 1w6m s ASN 1050Ca -0.16 -0.60 -0.26 0.00 0.42 0.00 0.00 52.86 52.26 1w6m s ASN 1050Cb 0.01 1.77 0.11 0.00 -1.45 0.00 0.00 41.25 41.69 1w6m s ASN 1050CO 0.70 -0.23 0.97 0.00 -3.72 0.00 0.00 177.10 174.83 1w6m s ALA 1051N 2.09 -1.93 -1.43 1.71 0.00 -0.59 -4.78 121.76 116.83 1w6m s ALA 1051Ca 0.14 1.87 -0.08 0.00 0.00 0.00 0.00 51.96 53.89 1w6m s ALA 1051Cb -0.07 -1.31 0.04 0.00 0.00 0.00 0.00 23.12 21.78 1w6m s ALA 1051CO -0.13 -0.26 0.62 0.72 0.00 0.00 0.00 175.76 176.71 1w6m n HIS 1052N 2.14 -1.97 -0.28 0.00 8.25 -1.26 -1.36 115.22 120.75 1w6m n HIS 1052Ca -0.13 0.56 0.00 0.00 -0.26 0.00 0.00 57.72 57.89 1w6m n HIS 1052Cb 0.56 -3.82 0.00 0.00 1.12 0.00 0.00 29.99 27.85 1w6m n HIS 1052CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1w6m n GLY 1053N -1.41 1.71 3.81 -1.41 0.00 -1.26 -5.03 105.19 101.60 1w6m n GLY 1053Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 1w6m n GLY 1053CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1w6m s ASP 1054N -3.30 6.41 -0.20 1.61 1.01 -0.46 -5.08 116.67 116.65 1w6m s ASP 1054Ca 0.00 0.48 0.02 0.00 0.71 0.00 0.00 52.55 53.75 1w6m s ASP 1054Cb 0.00 -2.12 0.03 0.00 1.01 0.00 0.00 42.92 41.84 1w6m s ASP 1054CO 0.00 0.28 -0.16 0.00 0.21 0.00 0.00 175.17 175.50 1w6m s ALA 1055N -0.38 2.33 -1.10 5.23 0.00 -1.26 -1.54 121.76 125.04 1w6m s ALA 1055Ca 0.15 -1.36 -0.20 0.00 0.00 0.00 0.00 51.96 50.54 1w6m s ALA 1055Cb -0.13 -1.31 -0.00 0.00 0.00 0.00 0.00 23.12 21.69 1w6m s ALA 1055CO 0.04 -0.66 0.76 0.09 0.00 0.00 0.00 175.76 175.99 1w6m n ASN 1056N 4.58 -5.31 -3.93 0.00 4.13 0.72 -4.97 115.26 110.48 1w6m n ASN 1056Ca -0.18 -1.00 -0.21 0.00 1.68 0.00 0.00 54.58 54.87 1w6m n ASN 1056Cb 0.47 -3.14 -0.16 0.00 -1.54 0.00 0.00 39.78 35.41 1w6m n ASN 1056CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1w6m s THR 1057N -3.40 0.69 -0.24 3.41 2.01 0.14 -4.75 115.64 113.51 1w6m s THR 1057Ca 0.42 -0.22 -0.21 0.00 0.31 0.00 0.00 61.69 61.99 1w6m s THR 1057Cb -0.16 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.64 1w6m s THR 1057CO 0.87 0.26 0.64 -0.63 -0.69 0.00 0.00 174.62 175.07 1w6m s ILE 1058N 0.83 4.99 -0.11 1.82 1.01 -1.26 0.31 121.20 128.79 1w6m s ILE 1058Ca -0.12 1.18 0.02 0.00 0.00 0.00 0.00 60.65 61.72 1w6m s ILE 1058Cb -0.15 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.36 1w6m s ILE 1058CO 0.01 0.05 -0.18 -0.69 0.00 0.00 0.00 174.94 174.13 1w6m s VAL 1059N 2.34 2.65 0.07 2.92 1.01 -0.39 -2.45 120.40 126.55 1w6m s VAL 1059Ca 0.28 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 61.52 1w6m s VAL 1059Cb -0.16 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1w6m s VAL 1059CO 0.09 0.54 -0.22 0.00 0.00 0.00 0.00 175.10 175.51 1w6m s ASN 1061N -1.46 -0.21 0.34 0.00 3.84 -0.81 -0.76 114.94 115.87 1w6m s ASN 1061Ca 0.08 -0.65 0.08 0.00 0.21 0.00 0.00 52.86 52.59 1w6m s ASN 1061Cb -0.09 0.62 -0.04 0.00 -0.55 0.00 0.00 41.25 41.18 1w6m s ASN 1061CO 0.03 -1.16 0.10 -0.94 -2.79 0.00 0.00 177.10 172.35 1w6m s SER 1062N -2.93 4.56 -0.19 -4.21 1.04 -1.26 -0.34 113.70 110.37 1w6m s SER 1062Ca 0.14 -0.81 -0.05 0.00 0.48 0.00 0.00 55.95 55.71 1w6m s SER 1062Cb -0.02 -0.69 0.08 0.00 0.10 0.00 0.00 66.02 65.48 1w6m s SER 1062CO 0.03 -0.27 0.15 -0.75 0.98 0.00 0.00 173.24 173.38 1w6m s LYS 1063N -3.81 0.12 -0.36 4.02 2.20 -0.63 -1.51 119.74 119.77 1w6m s LYS 1063Ca 0.37 0.03 -0.08 0.00 -0.36 0.00 0.00 55.97 55.92 1w6m s LYS 1063Cb -0.02 -1.56 0.04 0.00 -1.51 0.00 0.00 37.83 34.78 1w6m s LYS 1063CO 0.22 -0.67 0.15 0.34 -0.36 0.00 0.00 175.35 175.03 1w6m s ASP 1064N 2.22 5.49 -1.41 1.43 -1.08 -0.47 -0.33 116.67 122.52 1w6m s ASP 1064Ca 0.04 -1.12 -0.08 0.00 -0.52 0.00 0.00 52.55 50.87 1w6m s ASP 1064Cb -0.16 -1.93 0.04 0.00 -1.46 0.00 0.00 42.92 39.41 1w6m s ASP 1064CO -0.11 -0.37 0.98 -0.67 0.52 0.00 0.00 175.17 175.53 1w6m n ASP 1065N 4.88 -4.23 0.00 -0.34 4.64 -0.84 -2.05 116.55 118.62 1w6m n ASP 1065Ca -0.12 -0.71 0.00 0.00 -1.38 0.00 0.00 54.79 52.58 1w6m n ASP 1065Cb 0.45 -4.36 0.00 0.00 -1.04 0.00 0.00 41.12 36.17 1w6m n ASP 1065CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1w6m n GLY 1066N -1.70 3.16 3.68 0.27 0.00 -0.20 -5.03 105.19 105.36 1w6m n GLY 1066Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1w6m n GLY 1066CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w6m s ALA 1067N -2.09 3.55 0.52 4.61 0.00 -0.87 -5.07 121.76 122.42 1w6m s ALA 1067Ca 0.00 -0.48 -0.21 0.00 0.00 0.00 0.00 51.96 51.27 1w6m s ALA 1067Cb 0.00 -2.61 -0.06 0.00 0.00 0.00 0.00 23.12 20.45 1w6m s ALA 1067CO 0.00 -0.23 1.14 -1.58 0.00 0.00 0.00 175.76 175.10 1w6m s TRP 1068N 1.15 2.73 0.00 0.00 0.52 -1.26 -1.37 118.94 120.71 1w6m s TRP 1068Ca 0.20 1.54 0.00 0.00 0.02 0.00 0.00 56.10 57.86 1w6m s TRP 1068Cb -0.15 -3.33 0.00 0.00 -1.15 0.00 0.00 33.47 28.85 1w6m s TRP 1068CO 0.08 -1.57 0.00 0.41 0.02 0.00 0.00 176.95 175.89 1w6m n GLY 1069N 0.26 2.30 3.69 0.98 0.00 -0.57 -4.91 105.19 106.94 1w6m n GLY 1069Ca 0.10 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 1w6m n GLY 1069CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w6m s THR 1070N 1.74 4.69 0.56 2.61 2.01 -1.26 -4.78 115.64 121.20 1w6m s THR 1070Ca 0.00 1.96 -0.19 0.00 0.31 0.00 0.00 61.69 63.76 1w6m s THR 1070Cb 0.00 -4.26 -0.05 0.00 0.01 0.00 0.00 72.50 68.20 1w6m s THR 1070CO 0.00 0.02 1.15 -1.61 -0.69 0.00 0.00 174.62 173.49 1w6m s GLU 1071N 1.93 3.22 -0.00 4.92 2.02 -1.26 -4.69 118.70 124.83 1w6m s GLU 1071Ca 0.50 1.67 0.06 0.00 0.02 0.00 0.00 54.97 57.23 1w6m s GLU 1071Cb -0.20 -1.98 -0.02 0.00 0.10 0.00 0.00 34.13 32.03 1w6m s GLU 1071CO 0.20 -0.97 -0.20 -1.14 0.02 0.00 0.00 175.26 173.17 1w6m s GLN 1072N -3.32 1.55 -0.02 1.61 0.74 0.06 -4.97 119.66 115.31 1w6m s GLN 1072Ca 0.74 -0.74 0.06 0.00 0.05 0.00 0.00 55.36 55.47 1w6m s GLN 1072Cb -0.26 -1.53 -0.02 0.00 1.10 0.00 0.00 33.01 32.31 1w6m s GLN 1072CO 0.29 0.41 -0.20 1.03 -0.55 0.00 0.00 175.29 176.28 1w6m s ARG 1073N -0.59 1.64 0.41 1.67 0.52 -1.26 -1.07 118.95 120.26 1w6m s ARG 1073Ca 0.07 -0.72 0.02 0.00 -0.52 0.00 0.00 55.73 54.59 1w6m s ARG 1073Cb -0.08 -1.58 -0.01 0.00 0.52 0.00 0.00 34.95 33.81 1w6m s ARG 1073CO -0.00 0.43 0.60 -1.21 0.02 0.00 0.00 175.30 175.14 1w6m s GLU 1074N -0.46 3.14 0.00 3.54 0.41 -1.03 -5.03 118.70 119.28 1w6m s GLU 1074Ca 0.07 -0.58 0.25 0.00 -0.41 0.00 0.00 54.97 54.30 1w6m s GLU 1074Cb -0.08 -2.64 0.60 0.00 -1.78 0.00 0.00 34.13 30.24 1w6m s GLU 1074CO -0.01 -0.13 1.49 0.00 -0.49 0.00 0.00 175.26 176.13 1w6m n ALA 1075N -1.93 2.51 -2.28 5.21 0.00 -1.26 -4.62 120.51 118.14 1w6m n ALA 1075Ca -0.00 -0.60 -0.14 0.00 0.00 0.00 0.00 53.44 52.70 1w6m n ALA 1075Cb 0.58 -0.98 -0.10 0.00 0.00 0.00 0.00 19.45 18.94 1w6m n ALA 1075CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1w6m s VAL 1076N -1.94 1.09 -0.43 0.00 -7.23 -1.26 -5.10 120.40 105.53 1w6m s VAL 1076Ca 0.33 -1.98 0.06 0.00 -1.81 0.00 0.00 61.98 58.59 1w6m s VAL 1076Cb 0.20 -1.75 0.22 0.00 0.56 0.00 0.00 36.38 35.61 1w6m s VAL 1076CO 0.31 -0.72 0.56 0.33 -0.31 0.00 0.00 175.10 175.26 1w6m n PHE 1077N -0.05 -1.54 -1.26 2.82 -0.00 -1.26 -4.55 117.46 111.61 1w6m n PHE 1077Ca -0.11 -2.87 -0.26 0.00 -0.00 0.00 0.00 57.45 54.21 1w6m n PHE 1077Cb 0.60 0.42 -0.09 0.00 -0.00 0.00 0.00 39.48 40.41 1w6m n PHE 1077CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1w6m n PRO 1078N 2.11 2.90 -4.27 -7.13 -0.04 -1.26 -4.84 135.00 122.47 1w6m n PRO 1078Ca 0.21 -1.81 -0.17 0.00 -0.04 0.00 0.00 63.50 61.69 1w6m n PRO 1078Cb 0.54 -2.36 -0.14 0.00 -0.04 0.00 0.00 33.50 31.50 1w6m n PRO 1078CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1w6m s PHE 1079N 0.90 0.83 -0.02 0.54 0.40 -1.26 -4.65 117.98 114.72 1w6m s PHE 1079Ca 0.66 -0.26 0.01 0.00 -0.60 0.00 0.00 56.93 56.73 1w6m s PHE 1079Cb 0.26 -0.51 0.02 0.00 0.51 0.00 0.00 43.02 43.30 1w6m s PHE 1079CO -0.06 -0.01 -0.01 -0.65 0.70 0.00 0.00 175.22 175.19 1w6m s GLN 1080N -0.71 0.23 0.26 0.44 1.11 -1.26 -5.12 119.66 114.61 1w6m s GLN 1080Ca 0.00 0.03 -0.31 0.00 0.01 0.00 0.00 55.36 55.09 1w6m s GLN 1080Cb -0.06 -0.35 -0.13 0.00 -1.01 0.00 0.00 33.01 31.46 1w6m s GLN 1080CO 0.00 -0.07 1.39 -2.30 0.01 0.00 0.00 175.29 174.33 1w6m n PRO 1081N 3.73 2.09 -2.92 2.91 -0.02 -1.26 -3.00 135.00 136.53 1w6m n PRO 1081Ca -0.22 0.74 -0.11 0.00 -2.02 0.00 0.00 63.50 61.89 1w6m n PRO 1081Cb 0.53 -2.39 0.05 0.00 -0.02 0.00 0.00 33.50 31.68 1w6m n PRO 1081CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1w6m n GLY 1082N 1.90 -0.01 3.50 -1.23 0.00 0.79 -4.75 105.19 105.39 1w6m n GLY 1082Ca 0.10 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 1w6m n GLY 1082CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1w6m s SER 1083N -3.65 -0.61 0.24 1.61 1.04 -1.16 -4.92 113.70 106.26 1w6m s SER 1083Ca 0.09 0.87 -0.30 0.00 0.48 0.00 0.00 55.95 57.09 1w6m s SER 1083Cb -0.04 0.82 -0.10 0.00 0.10 0.00 0.00 66.02 66.81 1w6m s SER 1083CO 0.43 -0.43 1.40 -0.69 0.98 0.00 0.00 173.24 174.93 1w6m s VAL 1084N -0.59 2.80 -0.02 5.02 1.01 -1.26 -2.56 120.40 124.80 1w6m s VAL 1084Ca -0.07 0.67 0.01 0.00 0.00 0.00 0.00 61.98 62.60 1w6m s VAL 1084Cb -0.02 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.94 1w6m s VAL 1084CO 0.06 0.11 -0.04 0.00 0.00 0.00 0.00 175.10 175.22 1w6m s ALA 1085N -0.03 0.51 -0.03 5.51 0.00 -0.02 -4.96 121.76 122.74 1w6m s ALA 1085Ca 0.58 -0.10 0.07 0.00 0.00 0.00 0.00 51.96 52.51 1w6m s ALA 1085Cb -0.40 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 1w6m s ALA 1085CO 0.42 0.04 -0.24 -2.00 0.00 0.00 0.00 175.76 173.99 1w6m s GLU 1086N 0.43 2.07 -0.01 0.00 2.12 -1.26 -1.09 118.70 120.95 1w6m s GLU 1086Ca -0.05 -0.84 0.04 0.00 0.36 0.00 0.00 54.97 54.47 1w6m s GLU 1086Cb -0.09 -1.91 -0.01 0.00 0.26 0.00 0.00 34.13 32.38 1w6m s GLU 1086CO -0.00 0.46 -0.12 0.08 -0.54 0.00 0.00 175.26 175.13 1w6m s VAL 1087N -0.41 0.97 -0.17 3.70 1.01 0.17 -2.97 120.40 122.69 1w6m s VAL 1087Ca 0.05 -0.51 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 1w6m s VAL 1087Cb -0.10 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.46 1w6m s VAL 1087CO 0.00 0.28 -0.15 0.00 0.00 0.00 0.00 175.10 175.23 1w6m s ILE 1089N 1.08 2.37 -0.07 0.00 1.01 0.14 -0.30 121.20 125.44 1w6m s ILE 1089Ca -0.00 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 1w6m s ILE 1089Cb -0.14 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 1w6m s ILE 1089CO -0.05 0.52 0.01 -0.89 0.00 0.00 0.00 174.94 174.53 1w6m s THR 1090N 1.18 4.35 -0.15 2.92 2.01 0.92 -0.05 115.64 126.82 1w6m s THR 1090Ca 0.02 -0.29 -0.06 0.00 0.31 0.00 0.00 61.69 61.67 1w6m s THR 1090Cb -0.14 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 1w6m s THR 1090CO -0.08 0.56 0.04 0.12 -0.69 0.00 0.00 174.62 174.57 1w6m s PHE 1091N -0.93 3.23 0.06 4.92 5.99 -1.11 -0.43 117.98 129.69 1w6m s PHE 1091Ca 0.15 0.08 -0.01 0.00 0.00 0.00 0.00 56.93 57.14 1w6m s PHE 1091Cb -0.11 -1.99 -0.04 0.00 0.00 0.00 0.00 43.02 40.88 1w6m s PHE 1091CO 0.04 0.24 -0.02 0.34 -0.00 0.00 0.00 175.22 175.82 1w6m s ASP 1092N -0.01 0.47 0.18 6.13 3.68 -0.58 0.11 116.67 126.65 1w6m s ASP 1092Ca 0.05 -1.00 -0.12 0.00 2.13 0.00 0.00 52.55 53.61 1w6m s ASP 1092Cb -0.12 0.21 0.09 0.00 -1.45 0.00 0.00 42.92 41.65 1w6m s ASP 1092CO 0.01 -0.61 1.80 -0.61 0.13 0.00 0.00 175.17 175.89 1w6m h GLN 1093N 3.12 0.87 0.17 4.34 5.75 -1.97 -3.27 115.11 124.11 1w6m h GLN 1093Ca -0.34 -0.10 -0.33 0.00 -0.15 0.00 0.00 58.65 57.73 1w6m h GLN 1093Cb 1.15 -0.17 0.01 0.00 1.07 0.00 0.00 27.48 29.53 1w6m h GLN 1093CO 0.65 0.66 -1.62 0.00 -2.65 0.00 0.00 178.83 175.86 1w6m h ALA 1094N 1.16 0.14 -2.41 3.38 0.00 -1.95 -3.43 119.26 116.16 1w6m h ALA 1094Ca 0.22 -1.11 -0.13 0.00 0.00 0.00 0.00 54.91 53.90 1w6m h ALA 1094Cb 0.04 0.45 -0.14 0.00 0.00 0.00 0.00 17.79 18.14 1w6m h ALA 1094CO -0.04 0.94 -0.55 -0.80 0.00 0.00 0.00 179.25 178.80 1w6m s ASN 1095N -7.22 0.29 -0.11 0.00 0.01 -1.23 -0.83 114.94 105.84 1w6m s ASN 1095Ca -0.17 -0.96 -0.04 0.00 -0.71 0.00 0.00 52.86 50.98 1w6m s ASN 1095Cb 0.05 0.29 -0.04 0.00 0.41 0.00 0.00 41.25 41.96 1w6m s ASN 1095CO 0.83 -0.71 0.04 -0.76 -1.51 0.00 0.00 177.10 175.00 1w6m s LEU 1096N -2.95 3.80 -0.16 0.60 1.02 0.00 -1.53 118.68 119.47 1w6m s LEU 1096Ca 0.13 0.20 -0.03 0.00 0.02 0.00 0.00 54.13 54.45 1w6m s LEU 1096Cb 0.06 -1.90 -0.02 0.00 0.02 0.00 0.00 46.19 44.35 1w6m s LEU 1096CO -0.06 0.34 -0.06 -0.89 0.02 0.00 0.00 176.35 175.71 1w6m s THR 1097N -0.65 3.64 -0.15 5.49 2.01 0.42 -1.21 115.64 125.19 1w6m s THR 1097Ca 0.11 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.67 1w6m s THR 1097Cb -0.12 -2.60 -0.00 0.00 0.01 0.00 0.00 72.50 69.80 1w6m s THR 1097CO 0.02 0.49 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.59 1w6m s VAL 1098N 0.56 2.66 -0.18 3.82 1.01 0.20 -0.05 120.40 128.41 1w6m s VAL 1098Ca -0.04 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 1w6m s VAL 1098Cb -0.15 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 1w6m s VAL 1098CO 0.03 0.52 -0.03 -0.75 0.00 0.00 0.00 175.10 174.86 1w6m s LYS 1099N 0.80 3.57 0.59 2.72 2.20 0.59 -1.47 119.74 128.75 1w6m s LYS 1099Ca -0.05 -0.56 -0.03 0.00 -0.36 0.00 0.00 55.97 54.97 1w6m s LYS 1099Cb -0.15 -2.96 0.03 0.00 -1.51 0.00 0.00 37.83 33.23 1w6m s LYS 1099CO 0.00 0.08 0.86 -0.51 -0.36 0.00 0.00 175.35 175.42 1w6m s LEU 1100N 0.80 3.19 0.33 5.43 1.43 0.91 -1.71 118.68 129.06 1w6m s LEU 1100Ca -0.01 0.37 0.11 0.00 -1.03 0.00 0.00 54.13 53.57 1w6m s LEU 1100Cb -0.14 -3.17 1.01 0.00 0.03 0.00 0.00 46.19 43.92 1w6m s LEU 1100CO 0.02 -1.18 1.62 -0.65 0.23 0.00 0.00 176.35 176.39 1w6m h PRO 1101N -0.13 0.14 -0.19 1.29 0.11 -1.80 0.17 132.00 131.58 1w6m h PRO 1101Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1w6m h PRO 1101Cb 1.28 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1w6m h PRO 1101CO 0.58 0.09 0.00 -0.40 -0.21 0.00 0.00 178.00 178.06 1w6m n ASP 1102N -5.24 1.37 0.00 -2.05 5.75 -1.26 -4.90 116.55 110.22 1w6m n ASP 1102Ca 0.30 -1.78 0.00 0.00 -0.01 0.00 0.00 54.79 53.29 1w6m n ASP 1102Cb 0.96 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.93 1w6m n ASP 1102CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1w6m n GLY 1103N 1.01 0.83 3.75 6.12 0.00 0.58 -5.04 105.19 112.44 1w6m n GLY 1103Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1w6m n GLY 1103CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1w6m s TYR 1104N -2.51 3.19 0.10 1.61 5.04 -1.26 -4.71 117.35 118.83 1w6m s TYR 1104Ca 0.00 1.32 0.10 0.00 -2.44 0.00 0.00 57.07 56.05 1w6m s TYR 1104Cb 0.00 -3.62 -0.04 0.00 0.35 0.00 0.00 41.96 38.65 1w6m s TYR 1104CO 0.00 -1.81 -0.25 -1.21 -1.34 0.00 0.00 175.55 170.94 1w6m s GLU 1105N -0.89 1.39 0.12 4.97 2.02 -1.26 -0.06 118.70 124.99 1w6m s GLU 1105Ca 0.53 -1.24 -0.14 0.00 0.02 0.00 0.00 54.97 54.13 1w6m s GLU 1105Cb -0.38 -1.76 0.03 0.00 0.10 0.00 0.00 34.13 32.12 1w6m s GLU 1105CO 0.44 0.42 0.36 -0.59 0.02 0.00 0.00 175.26 175.91 1w6m s PHE 1106N -1.03 -0.12 0.16 1.61 -0.71 -0.54 -5.00 117.98 112.36 1w6m s PHE 1106Ca 0.11 -0.23 0.09 0.00 -1.04 0.00 0.00 56.93 55.87 1w6m s PHE 1106Cb -0.10 0.19 -0.04 0.00 -1.21 0.00 0.00 43.02 41.86 1w6m s PHE 1106CO 0.05 -0.67 -0.17 0.15 -1.34 0.00 0.00 175.22 173.24 1w6m s LYS 1107N -3.82 1.81 -0.08 1.99 1.02 -1.26 -0.62 119.74 118.78 1w6m s LYS 1107Ca 0.04 -1.29 -0.01 0.00 0.02 0.00 0.00 55.97 54.73 1w6m s LYS 1107Cb 0.02 -2.07 0.03 0.00 -0.52 0.00 0.00 37.83 35.30 1w6m s LYS 1107CO -0.11 0.45 -0.01 0.12 -0.92 0.00 0.00 175.35 174.87 1w6m s PHE 1108N -1.45 0.78 0.32 3.18 5.36 -0.35 -4.96 117.98 120.86 1w6m s PHE 1108Ca 0.21 -0.25 -0.28 0.00 -0.96 0.00 0.00 56.93 55.65 1w6m s PHE 1108Cb -0.09 -0.85 -0.13 0.00 -0.34 0.00 0.00 43.02 41.61 1w6m s PHE 1108CO 0.12 -0.34 1.18 -0.35 -1.46 0.00 0.00 175.22 174.36 1w6m n PRO 1109N 5.04 1.82 -1.89 10.12 -0.04 -1.26 -0.82 135.00 147.97 1w6m n PRO 1109Ca -0.09 0.64 -0.42 0.00 -0.04 0.00 0.00 63.50 63.59 1w6m n PRO 1109Cb 0.50 -2.14 -0.00 0.00 -0.04 0.00 0.00 33.50 31.82 1w6m n PRO 1109CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1w6m n ASN 1110N 0.96 5.36 -0.31 3.54 5.15 -0.01 -4.78 115.26 125.16 1w6m n ASN 1110Ca 0.07 -2.92 0.08 0.00 -0.60 0.00 0.00 54.58 51.21 1w6m n ASN 1110Cb 0.34 -1.56 0.24 0.00 -0.53 0.00 0.00 39.78 38.27 1w6m n ASN 1110CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1w6m h ARG 1111N 5.64 0.67 0.00 1.20 3.08 -1.88 -0.60 114.38 122.50 1w6m h ARG 1111Ca 0.57 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.58 1w6m h ARG 1111Cb 0.55 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1w6m h ARG 1111CO 1.75 0.45 0.00 1.28 -1.07 0.00 0.00 179.97 182.38 1w6m n LEU 1112N -4.82 0.00 -3.70 3.04 4.32 -1.26 -4.91 117.00 109.67 1w6m n LEU 1112Ca 0.18 0.31 -0.23 0.00 -0.02 0.00 0.00 56.01 56.24 1w6m n LEU 1112Cb 0.44 -0.31 0.05 0.00 -1.62 0.00 0.00 43.42 41.98 1w6m n LEU 1112CO 0.22 -0.07 0.05 0.59 -1.22 0.00 0.00 177.39 176.96 1w6m n ASN 1113N -1.31 -2.96 -4.76 -1.43 3.02 -0.23 -4.94 115.26 102.65 1w6m n ASN 1113Ca 0.11 -0.74 -0.40 0.00 -0.03 0.00 0.00 54.58 53.52 1w6m n ASN 1113Cb 0.20 -4.31 -0.04 0.00 -0.61 0.00 0.00 39.78 35.02 1w6m n ASN 1113CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1w6m s LEU 1114N -6.87 4.47 0.00 3.41 1.02 -1.26 -4.94 118.68 114.51 1w6m s LEU 1114Ca 0.26 2.22 0.23 0.00 0.02 0.00 0.00 54.13 56.86 1w6m s LEU 1114Cb -0.12 -3.74 0.15 0.00 0.02 0.00 0.00 46.19 42.49 1w6m s LEU 1114CO 0.79 -0.21 1.17 -0.62 0.02 0.00 0.00 176.35 177.51 1w6m n GLU 1115N 0.94 0.79 -3.59 1.70 1.02 -1.26 -4.82 120.64 115.41 1w6m n GLU 1115Ca 0.00 -0.61 -0.12 0.00 -0.02 0.00 0.00 57.16 56.41 1w6m n GLU 1115Cb 0.46 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.33 1w6m n GLU 1115CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1w6m s ALA 1116N -2.63 -1.90 -0.29 0.62 0.00 -1.26 -4.16 121.76 112.14 1w6m s ALA 1116Ca 0.17 1.68 -0.11 0.00 0.00 0.00 0.00 51.96 53.70 1w6m s ALA 1116Cb 0.18 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 1w6m s ALA 1116CO 0.63 -0.30 0.19 0.42 0.00 0.00 0.00 175.76 176.70 1w6m s ILE 1117N -0.53 5.22 -0.51 0.00 1.01 -0.10 -4.77 121.20 121.52 1w6m s ILE 1117Ca -0.02 0.06 0.07 0.00 0.00 0.00 0.00 60.65 60.77 1w6m s ILE 1117Cb -0.02 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 1w6m s ILE 1117CO 0.00 0.21 0.42 0.59 0.00 0.00 0.00 174.94 176.16 1w6m n ASN 1118N 5.06 0.70 -4.07 3.58 4.13 -0.79 -0.78 115.26 123.09 1w6m n ASN 1118Ca -0.14 -0.85 -0.24 0.00 1.68 0.00 0.00 54.58 55.03 1w6m n ASN 1118Cb 0.51 0.72 -0.16 0.00 -1.54 0.00 0.00 39.78 39.31 1w6m n ASN 1118CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1w6m s TYR 1119N -1.37 1.45 -0.01 3.10 5.04 -0.23 -1.43 117.35 123.90 1w6m s TYR 1119Ca 0.04 -0.44 0.00 0.00 -2.44 0.00 0.00 57.07 54.24 1w6m s TYR 1119Cb 0.06 -1.01 0.01 0.00 0.35 0.00 0.00 41.96 41.37 1w6m s TYR 1119CO 0.23 -0.18 -0.00 1.41 -1.34 0.00 0.00 175.55 175.66 1w6m s MET 1120N 0.26 0.17 -0.09 4.97 -2.45 -0.20 -1.39 119.30 120.56 1w6m s MET 1120Ca -0.07 0.02 -0.06 0.00 -1.25 0.00 0.00 55.69 54.33 1w6m s MET 1120Cb -0.12 -0.28 0.04 0.00 1.25 0.00 0.00 34.83 35.72 1w6m s MET 1120CO 0.02 -0.05 0.23 0.00 1.05 0.00 0.00 175.02 176.27 1w6m s ALA 1121N 0.50 -0.54 0.05 4.11 0.00 0.31 -0.31 121.76 125.88 1w6m s ALA 1121Ca -0.05 0.83 0.06 0.00 0.00 0.00 0.00 51.96 52.80 1w6m s ALA 1121Cb -0.07 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 1w6m s ALA 1121CO -0.01 -0.16 -0.12 0.00 0.00 0.00 0.00 175.76 175.47 1w6m s ALA 1122N 0.77 2.85 -0.12 0.00 0.00 -0.02 0.33 121.76 125.57 1w6m s ALA 1122Ca -0.05 -1.16 -0.30 0.00 0.00 0.00 0.00 51.96 50.45 1w6m s ALA 1122Cb -0.07 -0.91 0.11 0.00 0.00 0.00 0.00 23.12 22.25 1w6m s ALA 1122CO -0.05 0.61 0.91 0.16 0.00 0.00 0.00 175.76 177.39 1w6m s ASP 1123N -1.70 -0.44 0.00 0.00 1.47 -0.76 -3.17 116.67 112.07 1w6m s ASP 1123Ca 0.18 0.44 0.00 0.00 1.18 0.00 0.00 52.55 54.35 1w6m s ASP 1123Cb -0.11 0.37 0.00 0.00 -0.34 0.00 0.00 42.92 42.84 1w6m s ASP 1123CO 0.09 -0.44 0.00 0.61 0.68 0.00 0.00 175.17 176.11 1w6m n GLY 1124N 0.68 -0.54 2.25 2.12 0.00 -1.26 0.74 105.19 109.17 1w6m n GLY 1124Ca -0.12 -2.17 -0.27 0.00 0.00 0.00 0.00 46.02 43.46 1w6m n GLY 1124CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1w6m n ASP 1125N 0.00 6.90 -3.65 1.61 8.00 -0.89 -4.74 116.55 123.78 1w6m n ASP 1125Ca 0.00 -2.74 -0.28 0.00 0.71 0.00 0.00 54.79 52.48 1w6m n ASP 1125Cb 0.00 -1.42 -0.16 0.00 -0.02 0.00 0.00 41.12 39.52 1w6m n ASP 1125CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1w6m s PHE 1126N 0.49 0.73 -0.56 1.24 5.36 -1.26 -0.80 117.98 123.18 1w6m s PHE 1126Ca 0.64 -0.83 -0.20 0.00 -0.96 0.00 0.00 56.93 55.58 1w6m s PHE 1126Cb 0.27 -1.00 0.07 0.00 -0.34 0.00 0.00 43.02 42.02 1w6m s PHE 1126CO -0.07 -0.67 0.73 0.21 -1.46 0.00 0.00 175.22 173.96 1w6m s LYS 1127N 1.96 3.13 0.17 10.12 2.47 0.12 -4.75 119.74 132.95 1w6m s LYS 1127Ca 0.04 -0.92 -0.32 0.00 -1.56 0.00 0.00 55.97 53.21 1w6m s LYS 1127Cb -0.17 -4.16 -0.11 0.00 -1.46 0.00 0.00 37.83 31.94 1w6m s LYS 1127CO -0.17 -1.42 1.72 0.42 0.16 0.00 0.00 175.35 176.05 1w6m s ILE 1128N 3.01 2.32 -0.10 5.43 1.01 -1.26 0.54 121.20 132.16 1w6m s ILE 1128Ca 0.17 0.13 0.17 0.00 0.00 0.00 0.00 60.65 61.12 1w6m s ILE 1128Cb -0.19 -3.08 -0.25 0.00 0.01 0.00 0.00 42.46 38.95 1w6m s ILE 1128CO 0.11 0.01 0.23 0.29 0.00 0.00 0.00 174.94 175.57 1w6m n LYS 1129N 4.54 0.89 -3.60 2.79 4.76 0.15 -4.89 118.16 122.80 1w6m n LYS 1129Ca 0.16 -0.09 -0.09 0.00 -2.87 0.00 0.00 58.31 55.43 1w6m n LYS 1129Cb 0.37 -1.44 -0.06 0.00 -1.84 0.00 0.00 35.03 32.06 1w6m n LYS 1129CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1w6m s VAL 1131N -0.73 0.75 0.02 0.00 1.01 -1.26 -1.08 120.40 119.11 1w6m s VAL 1131Ca 0.01 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.66 1w6m s VAL 1131Cb -0.02 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 1w6m s VAL 1131CO -0.02 0.23 -0.11 0.00 0.00 0.00 0.00 175.10 175.20 1w6m s ALA 1132N 0.05 0.87 0.16 5.51 0.00 0.17 -5.00 121.76 123.52 1w6m s ALA 1132Ca -0.01 -0.59 0.11 0.00 0.00 0.00 0.00 51.96 51.47 1w6m s ALA 1132Cb -0.07 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1w6m s ALA 1132CO 0.00 0.17 -0.25 -0.06 0.00 0.00 0.00 175.76 175.62 1w6m s PHE 1133N -0.61 2.28 0.00 0.00 0.40 -1.26 -1.01 117.98 117.78 1w6m s PHE 1133Ca 0.01 -0.37 0.00 0.00 -0.60 0.00 0.00 56.93 55.97 1w6m s PHE 1133Cb -0.06 -1.18 0.00 0.00 0.51 0.00 0.00 43.02 42.29 1w6m s PHE 1133CO 0.00 0.42 0.00 -0.25 0.70 0.00 0.00 175.22 176.09