#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sj9 n ASP 3005N 0.00 0.00 0.00 4.04 3.85 -1.26 -4.95 116.55 118.23 1sj9 n ASP 3005Ca 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.08 1sj9 n ASP 3005Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 1sj9 n ASP 3005CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.20 177.52 1sj9 n VAL 3006N -0.07 0.00 0.00 2.12 0.24 -1.26 -5.12 118.33 114.24 1sj9 n VAL 3006Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1sj9 n VAL 3006Cb 0.00 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.23 1sj9 n VAL 3006CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1sj9 n PHE 3007N 0.00 0.00 0.29 6.34 7.35 -1.26 -4.99 117.46 125.20 1sj9 n PHE 3007Ca 0.00 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.74 1sj9 n PHE 3007Cb 0.00 0.00 0.20 0.00 0.35 0.00 0.00 39.48 40.03 1sj9 n PHE 3007CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 1sj9 n HIS 3008N -0.42 0.88 0.00 -5.13 8.25 -1.26 -3.98 115.22 113.56 1sj9 n HIS 3008Ca 0.00 -0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.13 1sj9 n HIS 3008Cb 0.00 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 30.91 1sj9 n HIS 3008CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1sj9 n LEU 3009N 0.45 0.00 -2.21 2.41 4.32 -1.26 -4.41 117.00 116.30 1sj9 n LEU 3009Ca 0.14 -0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 56.05 1sj9 n LEU 3009Cb 0.59 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.38 1sj9 n LEU 3009CO 0.14 0.00 -0.10 0.61 -1.22 0.00 0.00 177.39 176.82 1sj9 n GLY 3010N 1.97 -0.23 3.79 -0.72 0.00 -1.26 -4.59 105.19 104.15 1sj9 n GLY 3010Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1sj9 n GLY 3010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sj9 s LEU 3011N -4.95 3.91 0.00 0.99 1.43 -1.26 -4.83 118.68 113.98 1sj9 s LEU 3011Ca 0.00 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1sj9 s LEU 3011Cb 0.00 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.82 1sj9 s LEU 3011CO 0.00 0.23 0.00 0.35 0.23 0.00 0.00 176.35 177.16 1sj9 n THR 3012N 0.89 0.00 -0.86 5.49 -2.24 -1.26 -4.49 114.28 111.81 1sj9 n THR 3012Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1sj9 n THR 3012Cb 0.52 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 1sj9 n THR 3012CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sj9 n LYS 3013N 0.00 0.00 -0.00 -0.78 5.02 -1.26 -4.64 118.16 116.49 1sj9 n LYS 3013Ca 0.00 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.36 1sj9 n LYS 3013Cb 0.00 -0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.92 1sj9 n LYS 3013CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1sj9 n ASN 3014N 0.00 1.26 0.24 4.39 5.03 -1.26 -4.36 115.26 120.56 1sj9 n ASN 3014Ca 0.00 -0.40 0.18 0.00 0.87 0.00 0.00 54.58 55.23 1sj9 n ASN 3014Cb 0.00 1.33 0.88 0.00 -1.02 0.00 0.00 39.78 40.97 1sj9 n ASN 3014CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 1sj9 h ASP 3015N 0.00 0.00 0.32 6.41 3.45 -1.96 -1.72 116.42 122.92 1sj9 h ASP 3015Ca 0.00 0.00 -0.33 0.00 0.43 0.00 0.00 57.03 57.13 1sj9 h ASP 3015Cb 0.48 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.22 1sj9 h ASP 3015CO 0.00 0.00 -1.82 -0.07 -1.57 0.00 0.00 179.24 175.78 1sj9 h LEU 3016N 0.00 0.24 -1.75 1.55 4.07 -1.96 -3.47 115.31 113.98 1sj9 h LEU 3016Ca 0.06 -0.51 -0.35 0.00 0.08 0.00 0.00 57.88 57.16 1sj9 h LEU 3016Cb 0.45 -0.08 0.14 0.00 1.08 0.00 0.00 40.66 42.25 1sj9 h LEU 3016CO -0.00 1.46 -0.79 0.00 -1.08 0.00 0.00 178.44 178.02 1sj9 n GLN 3017N -3.30 -5.83 -2.31 1.13 6.02 -0.65 -3.17 117.38 109.26 1sj9 n GLN 3017Ca -0.24 0.78 0.00 0.00 -0.01 0.00 0.00 57.00 57.54 1sj9 n GLN 3017Cb 1.05 -5.66 0.00 0.00 1.02 0.00 0.00 30.24 26.65 1sj9 n GLN 3017CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sj9 n GLY 3018N -1.26 0.92 3.69 1.08 0.00 -1.26 -4.73 105.19 103.63 1sj9 n GLY 3018Ca -0.28 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 44.70 1sj9 n GLY 3018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sj9 s ALA 3019N -2.87 3.47 0.00 4.61 0.00 -1.19 -4.51 121.76 121.28 1sj9 s ALA 3019Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.79 1sj9 s ALA 3019Cb 0.00 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.28 1sj9 s ALA 3019CO 0.00 -0.26 0.00 1.04 0.00 0.00 0.00 175.76 176.54 1sj9 n GLN 3020N 4.29 4.60 -4.30 0.00 6.02 -1.24 -3.78 117.38 122.96 1sj9 n GLN 3020Ca -0.04 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.72 1sj9 n GLN 3020Cb 0.51 -0.59 -0.07 0.00 1.02 0.00 0.00 30.24 31.11 1sj9 n GLN 3020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1sj9 s LEU 3021N -2.03 3.17 -0.25 1.08 2.96 -1.26 0.81 118.68 123.15 1sj9 s LEU 3021Ca 0.00 -0.66 -0.08 0.00 -0.22 0.00 0.00 54.13 53.18 1sj9 s LEU 3021Cb 0.00 -1.69 0.12 0.00 0.50 0.00 0.00 46.19 45.11 1sj9 s LEU 3021CO 0.00 0.01 0.52 0.00 -1.32 0.00 0.00 176.35 175.56 1sj9 s ALA 3022N -2.31 -1.59 -0.98 5.97 0.00 -0.68 -2.80 121.76 119.37 1sj9 s ALA 3022Ca 0.31 1.85 -0.19 0.00 0.00 0.00 0.00 51.96 53.93 1sj9 s ALA 3022Cb -0.06 -1.58 0.12 0.00 0.00 0.00 0.00 23.12 21.60 1sj9 s ALA 3022CO 0.20 -0.89 1.22 0.42 0.00 0.00 0.00 175.76 176.71 1sj9 s ILE 3023N 2.74 4.64 -0.28 0.00 1.01 -0.16 -0.90 121.20 128.25 1sj9 s ILE 3023Ca -0.01 -1.59 -0.20 0.00 0.00 0.00 0.00 60.65 58.84 1sj9 s ILE 3023Cb -0.12 -4.84 -0.01 0.00 0.01 0.00 0.00 42.46 37.49 1sj9 s ILE 3023CO -0.16 -1.59 0.63 0.68 0.00 0.00 0.00 174.94 174.50 1sj9 s VAL 3024N 2.92 4.96 0.43 2.92 -7.23 -0.38 -3.00 120.40 121.02 1sj9 s VAL 3024Ca 0.36 1.01 0.08 0.00 -1.81 0.00 0.00 61.98 61.62 1sj9 s VAL 3024Cb -0.04 -3.96 -0.01 0.00 0.56 0.00 0.00 36.38 32.93 1sj9 s VAL 3024CO -0.08 -0.05 0.41 -2.16 -0.31 0.00 0.00 175.10 172.91 1sj9 s PRO 3025N 2.55 2.54 0.00 4.82 0.04 -1.10 -2.81 135.00 141.05 1sj9 s PRO 3025Ca 0.26 -1.53 0.00 0.00 0.04 0.00 0.00 61.00 59.76 1sj9 s PRO 3025Cb -0.15 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 31.98 1sj9 s PRO 3025CO 0.10 -0.24 0.02 0.41 0.04 0.00 0.00 177.00 177.33 1sj9 n GLY 3026N -1.61 -0.25 3.69 0.56 0.00 -1.25 -0.89 105.19 105.44 1sj9 n GLY 3026Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 1sj9 n GLY 3026CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sj9 n ASP 3027N -0.05 3.03 0.00 1.61 5.68 -1.26 -2.85 116.55 122.71 1sj9 n ASP 3027Ca 0.00 1.16 0.14 0.00 -0.50 0.00 0.00 54.79 55.59 1sj9 n ASP 3027Cb 0.00 -1.48 0.83 0.00 -1.14 0.00 0.00 41.12 39.33 1sj9 n ASP 3027CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 1sj9 n PRO 3028N 1.76 0.97 0.25 0.11 -0.04 -1.26 -2.48 135.00 134.31 1sj9 n PRO 3028Ca 0.09 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.68 1sj9 n PRO 3028Cb 0.34 -1.45 0.58 0.00 -0.04 0.00 0.00 33.50 32.93 1sj9 n PRO 3028CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1sj9 h GLU 3029N 0.00 0.00 0.09 0.54 4.11 -1.97 -3.13 114.58 114.22 1sj9 h GLU 3029Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.11 1sj9 h GLU 3029Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1sj9 h GLU 3029CO 0.00 0.14 -1.72 0.00 0.07 0.00 0.00 179.01 177.50 1sj9 h ARG 3030N 0.00 0.20 -1.15 1.06 -0.00 -1.86 -3.39 114.38 109.24 1sj9 h ARG 3030Ca -0.00 -0.34 0.35 0.00 -0.50 0.00 0.00 59.98 59.49 1sj9 h ARG 3030Cb 0.61 0.13 -0.12 0.00 0.00 0.00 0.00 29.97 30.59 1sj9 h ARG 3030CO 0.02 1.01 0.72 0.28 0.00 0.00 0.00 179.97 182.00 1sj9 h VAL 3031N 0.05 0.29 0.02 2.04 2.07 -1.64 0.57 116.25 119.65 1sj9 h VAL 3031Ca -0.31 -0.08 -0.22 0.00 0.82 0.00 0.00 66.70 66.91 1sj9 h VAL 3031Cb 2.02 0.03 0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1sj9 h VAL 3031CO 0.12 0.04 -0.87 1.05 0.02 0.00 0.00 177.57 177.94 1sj9 h GLU 3032N 0.24 0.55 0.00 1.57 4.11 -1.75 -3.17 114.58 116.13 1sj9 h GLU 3032Ca 0.73 -0.62 -0.05 0.00 0.07 0.00 0.00 59.36 59.49 1sj9 h GLU 3032Cb 2.02 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 31.44 1sj9 h GLU 3032CO -0.42 1.24 -0.23 1.57 0.07 0.00 0.00 179.01 181.23 1sj9 h LYS 3033N 0.13 0.00 -0.40 1.06 2.10 -1.46 -2.66 116.57 115.33 1sj9 h LYS 3033Ca -0.11 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.45 1sj9 h LYS 3033Cb 1.56 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.87 1sj9 h LYS 3033CO 0.17 0.23 -0.09 0.82 -2.00 0.00 0.00 179.45 178.58 1sj9 h ILE 3034N 0.00 1.27 0.00 0.07 2.04 -1.00 -2.95 117.51 116.95 1sj9 h ILE 3034Ca -0.00 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 64.68 1sj9 h ILE 3034Cb 0.87 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1sj9 h ILE 3034CO 0.03 0.40 0.00 0.00 0.00 0.00 0.00 178.15 178.58 1sj9 h ALA 3035N 0.85 1.00 0.00 1.87 0.00 -1.49 -2.66 119.26 118.83 1sj9 h ALA 3035Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1sj9 h ALA 3035Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1sj9 h ALA 3035CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.29 1sj9 h ALA 3036N 2.07 1.00 0.00 0.00 0.00 -1.30 -1.85 119.26 119.18 1sj9 h ALA 3036Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1sj9 h ALA 3036Cb 0.73 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1sj9 h ALA 3036CO 0.00 0.00 -0.66 -0.07 0.00 0.00 0.00 179.25 178.52 1sj9 h LEU 3037N 0.00 0.00 0.00 0.00 -0.00 -1.52 -3.46 115.31 110.33 1sj9 h LEU 3037Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1sj9 h LEU 3037Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.98 1sj9 h LEU 3037CO 0.00 0.42 0.00 0.23 -0.00 0.00 0.00 178.44 179.09 1sj9 n MET 3038N -3.10 3.91 -4.35 1.13 2.81 -0.70 -5.11 117.12 111.70 1sj9 n MET 3038Ca -0.00 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.68 1sj9 n MET 3038Cb 0.72 0.00 -0.11 0.00 -0.71 0.00 0.00 33.22 33.12 1sj9 n MET 3038CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 1sj9 s ASP 3039N -0.76 2.75 -1.73 7.83 3.84 -1.25 -4.89 116.67 122.46 1sj9 s ASP 3039Ca 0.00 -0.93 -0.14 0.00 -0.00 0.00 0.00 52.55 51.48 1sj9 s ASP 3039Cb 0.00 -0.17 0.13 0.00 -1.38 0.00 0.00 42.92 41.51 1sj9 s ASP 3039CO 0.00 -0.07 0.40 0.29 -0.00 0.00 0.00 175.17 175.79 1sj9 n LYS 3040N -0.02 -1.16 -0.07 2.11 5.02 -1.26 -1.76 118.16 121.02 1sj9 n LYS 3040Ca -0.11 0.16 -0.05 0.00 -2.02 0.00 0.00 58.31 56.29 1sj9 n LYS 3040Cb 0.58 -4.34 0.05 0.00 -0.02 0.00 0.00 35.03 31.30 1sj9 n LYS 3040CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1sj9 n PRO 3041N -4.30 -2.19 -3.58 1.97 -0.04 -1.25 -4.53 135.00 121.08 1sj9 n PRO 3041Ca -0.07 -0.25 0.02 0.00 -0.04 0.00 0.00 63.50 63.16 1sj9 n PRO 3041Cb 0.55 -0.30 -0.06 0.00 -0.04 0.00 0.00 33.50 33.65 1sj9 n PRO 3041CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sj9 s VAL 3042N -1.22 -0.02 -1.04 0.52 1.01 -0.51 -4.87 120.40 114.26 1sj9 s VAL 3042Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 61.98 61.86 1sj9 s VAL 3042Cb -0.02 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1sj9 s VAL 3042CO 0.09 0.00 1.87 -0.75 0.00 0.00 0.00 175.10 176.31 1sj9 s LYS 3043N 1.26 2.77 0.00 2.72 2.20 -1.26 -1.27 119.74 126.17 1sj9 s LYS 3043Ca -0.07 -0.80 0.00 0.00 -0.36 0.00 0.00 55.97 54.74 1sj9 s LYS 3043Cb -0.02 -5.19 0.00 0.00 -1.51 0.00 0.00 37.83 31.10 1sj9 s LYS 3043CO -0.12 -3.34 0.53 1.28 -0.36 0.00 0.00 175.35 173.35 1sj9 n LEU 3044N 13.05 0.00 0.00 5.43 4.77 -0.35 -4.94 117.00 134.96 1sj9 n LEU 3044Ca 0.41 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.93 1sj9 n LEU 3044Cb 0.47 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1sj9 n LEU 3044CO 0.64 -0.03 0.00 0.00 -1.33 0.00 0.00 177.39 176.67 1sj9 n ALA 3045N -0.88 0.00 0.00 -1.18 0.00 -0.97 -5.01 120.51 112.47 1sj9 n ALA 3045Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1sj9 n ALA 3045Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1sj9 n ALA 3045CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1sj9 n SER 3046N -1.21 0.00 0.00 0.00 2.88 -1.25 -2.72 113.62 111.33 1sj9 n SER 3046Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1sj9 n SER 3046Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1sj9 n SER 3046CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1sj9 n HIS 3047N 0.00 0.00 0.00 0.66 8.25 -1.03 -4.92 115.22 118.19 1sj9 n HIS 3047Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1sj9 n HIS 3047Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1sj9 n HIS 3047CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1sj9 n ARG 3048N -1.12 0.00 -0.18 -0.41 3.00 -1.26 -4.79 116.66 111.90 1sj9 n ARG 3048Ca 0.00 0.11 0.01 0.00 -0.00 0.00 0.00 57.85 57.97 1sj9 n ARG 3048Cb 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 32.46 32.00 1sj9 n ARG 3048CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1sj9 n GLU 3049N -1.37 0.63 -3.39 -0.14 4.07 -1.26 -4.95 120.64 114.24 1sj9 n GLU 3049Ca 0.00 -1.12 -0.44 0.00 -0.06 0.00 0.00 57.16 55.54 1sj9 n GLU 3049Cb 0.00 -0.72 -0.02 0.00 -0.06 0.00 0.00 31.44 30.65 1sj9 n GLU 3049CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 1sj9 s PHE 3050N -0.56 4.11 -0.40 4.31 2.99 -1.26 -4.51 117.98 122.64 1sj9 s PHE 3050Ca 0.05 -2.62 -0.18 0.00 0.00 0.00 0.00 56.93 54.18 1sj9 s PHE 3050Cb 0.04 -3.73 0.01 0.00 0.00 0.00 0.00 43.02 39.34 1sj9 s PHE 3050CO 0.00 -0.92 0.47 0.99 -0.00 0.00 0.00 175.22 175.76 1sj9 s THR 3051N -0.99 5.04 -0.01 0.64 2.01 -1.26 -2.45 115.64 118.62 1sj9 s THR 3051Ca 0.28 -0.10 0.05 0.00 0.31 0.00 0.00 61.69 62.22 1sj9 s THR 3051Cb -0.10 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 1sj9 s THR 3051CO -0.09 -0.37 -0.14 -0.94 -0.69 0.00 0.00 174.62 172.39 1sj9 s SER 3052N 1.82 4.08 0.23 3.53 1.04 -1.10 -1.51 113.70 121.79 1sj9 s SER 3052Ca 0.15 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1sj9 s SER 3052Cb -0.16 -0.82 -0.00 0.00 0.10 0.00 0.00 66.02 65.14 1sj9 s SER 3052CO 0.14 0.30 0.00 0.79 0.98 0.00 0.00 173.24 175.46 1sj9 n TRP 3053N 1.90 0.52 -3.49 5.02 7.02 -0.67 -1.21 117.44 126.53 1sj9 n TRP 3053Ca -0.16 -1.12 -0.08 0.00 -1.02 0.00 0.00 57.50 55.12 1sj9 n TRP 3053Cb 0.52 -0.15 -0.08 0.00 -2.42 0.00 0.00 31.31 29.18 1sj9 n TRP 3053CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1sj9 s ARG 3054N -2.82 0.35 0.24 -0.99 3.00 -0.39 -3.55 118.95 114.79 1sj9 s ARG 3054Ca 0.00 0.82 0.05 0.00 -1.00 0.00 0.00 55.73 55.60 1sj9 s ARG 3054Cb 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 34.95 34.90 1sj9 s ARG 3054CO 0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 175.30 174.83 1sj9 s ALA 3055N 2.60 1.97 0.46 6.12 0.00 -0.63 -1.43 121.76 130.86 1sj9 s ALA 3055Ca 0.06 -1.80 0.05 0.00 0.00 0.00 0.00 51.96 50.28 1sj9 s ALA 3055Cb -0.14 0.36 0.05 0.00 0.00 0.00 0.00 23.12 23.40 1sj9 s ALA 3055CO -0.15 -0.18 0.44 0.39 0.00 0.00 0.00 175.76 176.26 1sj9 n GLU 3056N -0.46 0.78 0.00 0.00 -0.58 -0.72 -1.59 120.64 118.06 1sj9 n GLU 3056Ca -0.05 -2.76 0.00 0.00 -0.42 0.00 0.00 57.16 53.93 1sj9 n GLU 3056Cb 0.63 0.15 0.00 0.00 -0.57 0.00 0.00 31.44 31.66 1sj9 n GLU 3056CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1sj9 n LEU 3057N 0.00 0.00 -2.63 -4.62 -0.00 0.03 -3.86 117.00 105.92 1sj9 n LEU 3057Ca 0.03 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.86 1sj9 n LEU 3057Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 1sj9 n LEU 3057CO 0.31 0.00 -0.16 0.47 -0.00 0.00 0.00 177.39 178.01 1sj9 n ASP 3058N 0.00 -5.03 0.00 1.96 9.92 -1.26 0.70 116.55 122.85 1sj9 n ASP 3058Ca 0.00 -0.03 0.00 0.00 -0.53 0.00 0.00 54.79 54.23 1sj9 n ASP 3058Cb 0.00 -4.18 0.00 0.00 -0.64 0.00 0.00 41.12 36.30 1sj9 n ASP 3058CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1sj9 n GLY 3059N -1.05 0.85 3.99 0.44 0.00 -1.26 -5.03 105.19 103.13 1sj9 n GLY 3059Ca -0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 1sj9 n GLY 3059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sj9 s LYS 3060N -0.26 2.75 -0.23 1.61 -0.14 0.22 -5.10 119.74 118.59 1sj9 s LYS 3060Ca 0.00 -0.96 0.02 0.00 -1.36 0.00 0.00 55.97 53.67 1sj9 s LYS 3060Cb 0.00 -2.63 0.05 0.00 -1.68 0.00 0.00 37.83 33.57 1sj9 s LYS 3060CO 0.00 -0.43 -0.09 0.00 -0.76 0.00 0.00 175.35 174.07 1sj9 s ALA 3061N -2.53 2.19 0.08 5.17 0.00 -1.26 -0.79 121.76 124.62 1sj9 s ALA 3061Ca 0.55 -1.45 0.05 0.00 0.00 0.00 0.00 51.96 51.10 1sj9 s ALA 3061Cb -0.10 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 1sj9 s ALA 3061CO 0.36 -1.07 -0.14 0.54 0.00 0.00 0.00 175.76 175.45 1sj9 s VAL 3062N 1.29 1.11 0.12 0.00 0.11 -0.62 -3.58 120.40 118.83 1sj9 s VAL 3062Ca -0.05 -1.38 0.11 0.00 -2.93 0.00 0.00 61.98 57.73 1sj9 s VAL 3062Cb -0.18 -1.14 -0.04 0.00 -1.53 0.00 0.00 36.38 33.49 1sj9 s VAL 3062CO -0.07 -0.28 -0.26 -0.51 -3.33 0.00 0.00 175.10 170.65 1sj9 s ILE 3063N -1.47 2.29 -0.36 7.04 -1.16 -1.12 -1.60 121.20 124.82 1sj9 s ILE 3063Ca -0.00 -1.69 -0.04 0.00 -0.51 0.00 0.00 60.65 58.41 1sj9 s ILE 3063Cb -0.09 -2.00 0.07 0.00 0.61 0.00 0.00 42.46 41.05 1sj9 s ILE 3063CO 0.02 0.13 0.12 -0.69 -2.81 0.00 0.00 174.94 171.71 1sj9 s VAL 3064N -1.03 3.38 -0.05 4.00 1.01 -1.23 -0.99 120.40 125.49 1sj9 s VAL 3064Ca 0.14 -1.55 0.05 0.00 0.00 0.00 0.00 61.98 60.62 1sj9 s VAL 3064Cb -0.10 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 1sj9 s VAL 3064CO 0.06 -0.36 -0.20 0.00 0.00 0.00 0.00 175.10 174.61 1sj9 s SER 3066N -0.45 7.30 -0.19 0.00 0.15 -0.57 -2.72 113.70 117.22 1sj9 s SER 3066Ca 0.05 1.76 0.10 0.00 0.70 0.00 0.00 55.95 58.56 1sj9 s SER 3066Cb -0.12 -2.55 -0.18 0.00 -1.71 0.00 0.00 66.02 61.46 1sj9 s SER 3066CO 0.01 -0.04 -0.05 0.35 1.20 0.00 0.00 173.24 174.71 1sj9 n THR 3067N 0.61 1.22 0.00 6.45 -2.24 -0.07 -4.31 114.28 115.94 1sj9 n THR 3067Ca 0.01 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1sj9 n THR 3067Cb 0.50 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 1sj9 n THR 3067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sj9 n GLY 3068N 2.15 -0.81 3.51 3.38 0.00 -1.13 -4.00 105.19 108.29 1sj9 n GLY 3068Ca -0.33 -1.64 -0.39 0.00 0.00 0.00 0.00 46.02 43.66 1sj9 n GLY 3068CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1sj9 n ILE 3069N -0.67 2.50 -0.87 -0.61 5.41 -1.26 -4.50 119.36 119.36 1sj9 n ILE 3069Ca 0.00 -0.50 0.04 0.00 1.00 0.00 0.00 62.75 63.29 1sj9 n ILE 3069Cb 0.00 -0.81 -0.02 0.00 -0.71 0.00 0.00 39.64 38.09 1sj9 n ILE 3069CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1sj9 n GLY 3070N 1.61 -1.01 0.21 7.39 0.00 -1.26 -4.32 105.19 107.81 1sj9 n GLY 3070Ca 0.12 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 45.91 1sj9 n GLY 3070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1sj9 h GLY 3071N -0.85 0.00 -0.17 -0.02 0.00 -1.85 -0.77 103.07 99.41 1sj9 h GLY 3071Ca -0.04 0.00 0.29 0.00 0.00 0.00 0.00 47.33 47.58 1sj9 h GLY 3071CO 0.02 0.00 0.73 -2.55 0.00 0.00 0.00 176.54 174.74 1sj9 h PRO 3072N 0.00 0.18 0.00 4.80 0.11 -1.95 0.39 132.00 135.54 1sj9 h PRO 3072Ca -0.00 -0.01 -0.25 0.00 0.11 0.00 0.00 66.00 65.85 1sj9 h PRO 3072Cb 0.55 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.58 1sj9 h PRO 3072CO 0.04 0.12 -1.43 -1.13 -0.21 0.00 0.00 178.00 175.38 1sj9 n SER 3073N -4.41 1.88 -0.34 -2.05 3.41 -1.12 -4.29 113.62 106.70 1sj9 n SER 3073Ca 0.24 0.43 0.02 0.00 -0.26 0.00 0.00 58.87 59.29 1sj9 n SER 3073Cb 1.03 -0.92 0.07 0.00 -0.26 0.00 0.00 64.21 64.13 1sj9 n SER 3073CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1sj9 n THR 3074N -4.42 -0.44 -0.04 6.66 -1.04 -0.13 0.11 114.28 114.98 1sj9 n THR 3074Ca -0.34 2.09 0.08 0.00 -2.04 0.00 0.00 64.05 63.85 1sj9 n THR 3074Cb 0.67 -2.81 0.46 0.00 -1.82 0.00 0.00 70.33 66.83 1sj9 n THR 3074CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1sj9 h SER 3075N 0.00 0.42 0.29 8.00 4.64 -0.52 -1.61 113.55 124.77 1sj9 h SER 3075Ca 0.36 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.67 1sj9 h SER 3075Cb 0.58 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1sj9 h SER 3075CO -0.91 0.28 -0.20 0.40 -0.87 0.00 0.00 176.83 175.53 1sj9 h ILE 3076N 0.48 0.57 0.57 0.95 1.08 0.62 0.95 117.51 122.72 1sj9 h ILE 3076Ca 0.21 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.66 1sj9 h ILE 3076Cb 0.24 0.57 -0.01 0.00 -3.07 0.00 0.00 36.82 34.54 1sj9 h ILE 3076CO -0.06 0.00 -0.41 0.00 -0.69 0.00 0.00 178.15 176.99 1sj9 h ALA 3077N 0.18 -0.99 -0.79 1.87 0.00 -1.21 0.12 119.26 118.43 1sj9 h ALA 3077Ca -0.02 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.82 1sj9 h ALA 3077Cb 0.42 0.53 -0.08 0.00 0.00 0.00 0.00 17.79 18.66 1sj9 h ALA 3077CO 0.01 -1.08 0.39 0.28 0.00 0.00 0.00 179.25 178.85 1sj9 h VAL 3078N -0.95 0.77 0.00 0.00 2.07 -1.23 0.28 116.25 117.19 1sj9 h VAL 3078Ca -0.07 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1sj9 h VAL 3078Cb 0.79 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1sj9 h VAL 3078CO 0.03 0.11 0.00 1.21 0.02 0.00 0.00 177.57 178.94 1sj9 n GLU 3079N -4.88 0.00 0.28 1.57 4.07 0.33 -1.09 120.64 120.92 1sj9 n GLU 3079Ca 0.14 0.46 0.12 0.00 -0.06 0.00 0.00 57.16 57.82 1sj9 n GLU 3079Cb 0.36 -1.37 0.78 0.00 -0.06 0.00 0.00 31.44 31.16 1sj9 n GLU 3079CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1sj9 h GLU 3080N 0.00 0.00 0.01 5.31 5.08 -0.63 -2.48 114.58 121.87 1sj9 h GLU 3080Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1sj9 h GLU 3080Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1sj9 h GLU 3080CO 0.00 0.01 -0.09 -0.07 -1.00 0.00 0.00 179.01 177.86 1sj9 h LEU 3081N 0.00 0.07 -2.64 1.33 3.38 -0.49 -3.13 115.31 113.82 1sj9 h LEU 3081Ca -0.00 -0.88 -0.00 0.00 0.09 0.00 0.00 57.88 57.09 1sj9 h LEU 3081Cb 0.02 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1sj9 h LEU 3081CO 0.00 0.94 -0.00 0.00 0.09 0.00 0.00 178.44 179.47 1sj9 h ALA 3082N 0.13 1.32 0.00 1.53 0.00 -0.86 -0.41 119.26 120.96 1sj9 h ALA 3082Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1sj9 h ALA 3082Cb 0.96 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1sj9 h ALA 3082CO 0.02 0.00 -0.54 1.04 0.00 0.00 0.00 179.25 179.77 1sj9 n GLN 3083N -3.55 0.05 0.07 0.00 6.02 -0.96 -3.03 117.38 115.98 1sj9 n GLN 3083Ca -0.03 0.01 0.12 0.00 -0.01 0.00 0.00 57.00 57.09 1sj9 n GLN 3083Cb 0.08 -1.53 0.24 0.00 1.02 0.00 0.00 30.24 30.06 1sj9 n GLN 3083CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1sj9 n LEU 3084N -1.59 0.71 0.00 1.08 4.77 -0.21 -4.96 117.00 116.80 1sj9 n LEU 3084Ca 0.05 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1sj9 n LEU 3084Cb 0.35 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1sj9 n LEU 3084CO 0.35 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1sj9 n GLY 3085N 1.34 2.66 3.64 -0.72 0.00 -0.92 -4.95 105.19 106.24 1sj9 n GLY 3085Ca 0.04 -0.29 -0.48 0.00 0.00 0.00 0.00 46.02 45.28 1sj9 n GLY 3085CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1sj9 n ILE 3086N 0.00 0.01 -0.17 -0.61 -0.00 -1.16 -4.72 119.36 112.71 1sj9 n ILE 3086Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1sj9 n ILE 3086Cb 0.00 -1.30 0.00 0.00 -0.00 0.00 0.00 39.64 38.34 1sj9 n ILE 3086CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1sj9 n ARG 3087N 3.20 1.80 -3.65 0.38 1.74 0.24 -4.25 116.66 116.13 1sj9 n ARG 3087Ca 0.18 -1.14 -0.20 0.00 -0.77 0.00 0.00 57.85 55.92 1sj9 n ARG 3087Cb 0.25 -0.92 -0.17 0.00 -1.02 0.00 0.00 32.46 30.61 1sj9 n ARG 3087CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1sj9 s THR 3088N -0.66 -0.17 -0.36 0.55 2.01 -0.87 -1.81 115.64 114.33 1sj9 s THR 3088Ca 0.00 0.27 -0.02 0.00 0.31 0.00 0.00 61.69 62.25 1sj9 s THR 3088Cb 0.00 -0.31 0.09 0.00 0.01 0.00 0.00 72.50 72.29 1sj9 s THR 3088CO 0.00 0.06 0.10 -0.36 -0.69 0.00 0.00 174.62 173.74 1sj9 s PHE 3089N 2.22 3.49 -0.39 4.92 0.40 0.54 -1.68 117.98 127.48 1sj9 s PHE 3089Ca 0.04 -2.28 -0.18 0.00 -0.60 0.00 0.00 56.93 53.91 1sj9 s PHE 3089Cb -0.13 -2.75 0.01 0.00 0.51 0.00 0.00 43.02 40.65 1sj9 s PHE 3089CO -0.06 -0.90 0.48 -0.51 0.70 0.00 0.00 175.22 174.93 1sj9 s LEU 3090N 1.15 4.56 -0.15 -0.37 2.01 -0.08 -2.90 118.68 122.91 1sj9 s LEU 3090Ca 0.03 -0.33 -0.14 0.00 0.01 0.00 0.00 54.13 53.70 1sj9 s LEU 3090Cb -0.21 -2.50 -0.05 0.00 0.01 0.00 0.00 46.19 43.45 1sj9 s LEU 3090CO -0.03 -0.54 0.30 -0.60 1.01 0.00 0.00 176.35 176.49 1sj9 s ARG 3091N 2.31 4.23 -0.07 1.70 6.06 -0.61 -1.25 118.95 131.31 1sj9 s ARG 3091Ca 0.16 0.12 -0.01 0.00 -2.50 0.00 0.00 55.73 53.50 1sj9 s ARG 3091Cb -0.16 -3.41 0.03 0.00 0.06 0.00 0.00 34.95 31.46 1sj9 s ARG 3091CO 0.14 0.26 -0.02 -1.50 -2.50 0.00 0.00 175.30 171.68 1sj9 s ILE 3092N 0.39 0.50 0.34 4.11 -1.16 -1.12 -1.48 121.20 122.78 1sj9 s ILE 3092Ca 0.17 0.02 -0.04 0.00 -0.51 0.00 0.00 60.65 60.30 1sj9 s ILE 3092Cb -0.13 -0.62 0.02 0.00 0.61 0.00 0.00 42.46 42.34 1sj9 s ILE 3092CO 0.05 0.27 0.51 0.61 -2.81 0.00 0.00 174.94 173.57 1sj9 n GLY 3093N 4.94 1.97 3.92 1.50 0.00 -1.03 -3.84 105.19 112.64 1sj9 n GLY 3093Ca -0.11 -1.54 -0.21 0.00 0.00 0.00 0.00 46.02 44.16 1sj9 n GLY 3093CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sj9 n THR 3094N -0.54 0.00 0.00 2.61 -2.24 -1.26 -2.45 114.28 110.40 1sj9 n THR 3094Ca -0.01 -1.81 0.00 0.00 -2.27 0.00 0.00 64.05 59.96 1sj9 n THR 3094Cb 0.56 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 1sj9 n THR 3094CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1sj9 n THR 3095N -2.49 0.00 -3.96 4.28 5.66 -0.57 -4.71 114.28 112.49 1sj9 n THR 3095Ca 0.17 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.94 1sj9 n THR 3095Cb 0.60 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 69.21 1sj9 n THR 3095CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1sj9 s GLY 3096N 0.00 0.54 0.58 1.09 0.00 -1.25 0.17 107.32 108.44 1sj9 s GLY 3096Ca 0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 44.72 44.44 1sj9 s GLY 3096CO 0.00 0.80 0.96 0.00 0.00 0.00 0.00 173.10 174.86 1sj9 s ALA 3097N 1.50 3.18 -0.22 3.20 0.00 -1.22 -3.59 121.76 124.61 1sj9 s ALA 3097Ca -0.01 -0.19 0.22 0.00 0.00 0.00 0.00 51.96 51.97 1sj9 s ALA 3097Cb -0.13 -2.95 -0.31 0.00 0.00 0.00 0.00 23.12 19.72 1sj9 s ALA 3097CO -0.04 -0.58 0.57 0.44 0.00 0.00 0.00 175.76 176.15 1sj9 n ILE 3098N -2.58 0.00 -3.41 0.00 -5.35 -0.67 -3.29 119.36 104.07 1sj9 n ILE 3098Ca 0.05 -0.40 -0.37 0.00 -0.27 0.00 0.00 62.75 61.75 1sj9 n ILE 3098Cb 0.54 0.19 -0.07 0.00 -1.74 0.00 0.00 39.64 38.57 1sj9 n ILE 3098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1sj9 s GLN 3099N -3.42 4.30 0.43 6.28 -1.52 -1.25 -4.86 119.66 119.62 1sj9 s GLN 3099Ca -0.05 0.29 0.15 0.00 -1.95 0.00 0.00 55.36 53.80 1sj9 s GLN 3099Cb 0.14 -3.44 1.05 0.00 -0.22 0.00 0.00 33.01 30.54 1sj9 s GLN 3099CO 0.90 0.17 1.95 -1.35 -0.25 0.00 0.00 175.29 176.71 1sj9 h PRO 3100N 6.77 0.39 0.00 2.91 0.11 -1.97 -1.96 132.00 138.25 1sj9 h PRO 3100Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1sj9 h PRO 3100Cb 1.17 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1sj9 h PRO 3100CO 0.75 0.26 0.00 -2.39 -0.21 0.00 0.00 178.00 176.41 1sj9 n HIS 3101N -4.47 0.00 -3.51 0.65 1.44 -1.26 -4.55 115.22 103.52 1sj9 n HIS 3101Ca 0.12 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.41 1sj9 n HIS 3101Cb 0.46 -0.31 -0.10 0.00 0.12 0.00 0.00 29.99 30.16 1sj9 n HIS 3101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1sj9 s ILE 3102N -2.62 4.87 -0.44 0.61 1.01 -0.74 -5.07 121.20 118.83 1sj9 s ILE 3102Ca 0.10 -0.94 -0.27 0.00 0.00 0.00 0.00 60.65 59.54 1sj9 s ILE 3102Cb 0.08 -3.81 0.03 0.00 0.01 0.00 0.00 42.46 38.76 1sj9 s ILE 3102CO 0.18 -0.38 1.03 0.20 0.00 0.00 0.00 174.94 175.96 1sj9 s ASN 3103N 1.93 6.63 -0.26 3.58 0.02 -1.26 -4.95 114.94 120.63 1sj9 s ASN 3103Ca 0.03 0.44 -0.19 0.00 -1.02 0.00 0.00 52.86 52.12 1sj9 s ASN 3103Cb -0.21 -2.50 -0.09 0.00 0.02 0.00 0.00 41.25 38.47 1sj9 s ASN 3103CO 0.07 -1.08 1.02 0.52 0.02 0.00 0.00 177.10 177.65 1sj9 n VAL 3104N 6.46 0.00 0.00 1.60 0.31 -1.26 -1.62 118.33 123.82 1sj9 n VAL 3104Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1sj9 n VAL 3104Cb 0.48 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 33.18 1sj9 n VAL 3104CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sj9 n GLY 3105N 3.39 1.56 3.90 2.92 0.00 -0.43 -4.97 105.19 111.56 1sj9 n GLY 3105Ca 0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 1sj9 n GLY 3105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sj9 s ASP 3106N -2.00 6.43 0.10 1.61 1.01 -0.64 -4.81 116.67 118.36 1sj9 s ASP 3106Ca 0.00 0.44 -0.02 0.00 0.71 0.00 0.00 52.55 53.68 1sj9 s ASP 3106Cb 0.00 -2.04 -0.05 0.00 1.01 0.00 0.00 42.92 41.84 1sj9 s ASP 3106CO 0.00 0.24 0.29 0.68 0.21 0.00 0.00 175.17 176.59 1sj9 s VAL 3107N -1.34 5.29 -0.26 -1.27 -7.23 -1.22 -1.90 120.40 112.46 1sj9 s VAL 3107Ca 0.28 -0.18 0.02 0.00 -1.81 0.00 0.00 61.98 60.30 1sj9 s VAL 3107Cb -0.13 -3.62 0.06 0.00 0.56 0.00 0.00 36.38 33.25 1sj9 s VAL 3107CO 0.18 0.10 -0.08 -0.76 -0.31 0.00 0.00 175.10 174.23 1sj9 s LEU 3108N -2.55 3.31 -0.12 1.32 1.43 0.23 -0.29 118.68 122.01 1sj9 s LEU 3108Ca 0.37 -1.40 -0.14 0.00 -1.03 0.00 0.00 54.13 51.94 1sj9 s LEU 3108Cb -0.13 -1.46 -0.05 0.00 0.03 0.00 0.00 46.19 44.59 1sj9 s LEU 3108CO 0.26 -0.21 0.34 -0.69 0.23 0.00 0.00 176.35 176.27 1sj9 s VAL 3109N 1.16 5.25 -0.23 -1.59 1.01 0.00 -1.63 120.40 124.38 1sj9 s VAL 3109Ca -0.07 0.65 -0.01 0.00 0.00 0.00 0.00 61.98 62.55 1sj9 s VAL 3109Cb -0.20 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.54 1sj9 s VAL 3109CO -0.06 0.42 -0.08 -0.89 0.00 0.00 0.00 175.10 174.50 1sj9 s THR 3110N 0.13 2.79 0.16 3.92 2.01 0.07 -3.23 115.64 121.49 1sj9 s THR 3110Ca 0.19 -0.95 -0.11 0.00 0.31 0.00 0.00 61.69 61.14 1sj9 s THR 3110Cb -0.14 -2.36 0.01 0.00 0.01 0.00 0.00 72.50 70.01 1sj9 s THR 3110CO 0.07 0.28 1.55 0.71 -0.69 0.00 0.00 174.62 176.54 1sj9 h THR 3111N 6.06 1.27 -2.32 -0.82 1.35 -1.68 -3.39 112.91 113.38 1sj9 h THR 3111Ca -0.36 -1.34 0.06 0.00 -0.55 0.00 0.00 66.41 64.23 1sj9 h THR 3111Cb 1.12 1.10 -0.16 0.00 -1.73 0.00 0.00 68.15 68.48 1sj9 h THR 3111CO 0.59 0.46 0.41 0.00 -0.25 0.00 0.00 175.52 176.73 1sj9 s ALA 3112N -4.73 -1.78 0.14 6.62 0.00 -1.25 0.24 121.76 121.00 1sj9 s ALA 3112Ca -0.12 1.00 0.11 0.00 0.00 0.00 0.00 51.96 52.95 1sj9 s ALA 3112Cb 0.12 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 1sj9 s ALA 3112CO 0.86 -0.63 -0.26 -1.12 0.00 0.00 0.00 175.76 174.61 1sj9 s SER 3113N -2.25 3.27 -0.40 0.00 0.01 -0.21 -1.83 113.70 112.29 1sj9 s SER 3113Ca 0.02 -0.76 -0.29 0.00 1.31 0.00 0.00 55.95 56.23 1sj9 s SER 3113Cb -0.01 -0.22 0.02 0.00 0.21 0.00 0.00 66.02 66.02 1sj9 s SER 3113CO -0.07 0.16 1.24 -0.69 0.41 0.00 0.00 173.24 174.29 1sj9 s VAL 3114N -1.14 4.16 -0.63 3.43 1.01 0.40 -4.53 120.40 123.10 1sj9 s VAL 3114Ca 0.14 1.24 -0.26 0.00 0.00 0.00 0.00 61.98 63.10 1sj9 s VAL 3114Cb -0.10 -4.37 -0.02 0.00 0.00 0.00 0.00 36.38 31.89 1sj9 s VAL 3114CO 0.06 -0.75 1.87 -0.13 0.00 0.00 0.00 175.10 176.15 1sj9 s ARG 3115N 4.40 2.62 -0.56 2.72 0.52 -1.26 0.08 118.95 127.46 1sj9 s ARG 3115Ca 0.53 0.55 0.06 0.00 -0.52 0.00 0.00 55.73 56.34 1sj9 s ARG 3115Cb -0.12 -4.43 0.33 0.00 0.52 0.00 0.00 34.95 31.25 1sj9 s ARG 3115CO 0.28 -2.78 0.89 1.28 0.02 0.00 0.00 175.30 174.99 1sj9 n LEU 3116N 12.84 3.97 -3.58 2.53 4.77 -0.03 -4.99 117.00 132.51 1sj9 n LEU 3116Ca 0.22 -5.57 -0.11 0.00 -0.03 0.00 0.00 56.01 50.51 1sj9 n LEU 3116Cb 0.52 -0.43 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 1sj9 n LEU 3116CO 0.70 2.31 0.25 1.51 -1.33 0.00 0.00 177.39 180.83 1sj9 s ASP 3117N -3.21 -0.34 0.00 -1.43 -4.77 -1.25 -1.07 116.67 104.60 1sj9 s ASP 3117Ca 0.47 -0.23 0.09 0.00 -3.30 0.00 0.00 52.55 49.58 1sj9 s ASP 3117Cb 0.27 0.52 0.26 0.00 -1.09 0.00 0.00 42.92 42.88 1sj9 s ASP 3117CO -0.12 -0.91 1.20 0.61 0.70 0.00 0.00 175.17 176.66 1sj9 n GLY 3118N -0.29 2.66 0.14 2.12 0.00 -1.26 -4.54 105.19 104.02 1sj9 n GLY 3118Ca -0.16 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 1sj9 n GLY 3118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sj9 h ALA 3119N 1.77 0.41 -0.28 4.61 0.00 -1.98 -3.34 119.26 120.45 1sj9 h ALA 3119Ca 0.00 -1.36 0.03 0.00 0.00 0.00 0.00 54.91 53.58 1sj9 h ALA 3119Cb 0.69 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1sj9 h ALA 3119CO 0.00 1.29 0.19 0.66 0.00 0.00 0.00 179.25 181.38 1sj9 h SER 3120N 0.07 0.21 0.18 0.00 4.64 -1.85 0.20 113.55 117.00 1sj9 h SER 3120Ca -0.40 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1sj9 h SER 3120Cb 2.04 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 64.09 1sj9 h SER 3120CO 0.10 0.14 0.00 0.18 -0.87 0.00 0.00 176.83 176.39 1sj9 n LEU 3121N -4.49 0.00 -0.56 5.97 4.32 -1.25 -0.60 117.00 120.39 1sj9 n LEU 3121Ca 0.02 0.41 0.13 0.00 -0.02 0.00 0.00 56.01 56.56 1sj9 n LEU 3121Cb 0.18 -0.41 0.45 0.00 -1.62 0.00 0.00 43.42 42.01 1sj9 n LEU 3121CO 0.35 -0.33 0.82 1.41 -1.22 0.00 0.00 177.39 178.42 1sj9 n HIS 3122N -1.41 0.06 0.00 -1.77 8.25 0.71 -3.98 115.22 117.08 1sj9 n HIS 3122Ca 0.02 -0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1sj9 n HIS 3122Cb 0.06 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.17 1sj9 n HIS 3122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1sj9 n PHE 3123N 0.34 0.00 -3.60 4.41 3.01 0.23 -5.09 117.46 116.76 1sj9 n PHE 3123Ca 0.18 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.56 1sj9 n PHE 3123Cb 0.38 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.80 1sj9 n PHE 3123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1sj9 s ALA 3124N -1.83 -1.99 1.04 4.37 0.00 -1.07 -4.98 121.76 117.30 1sj9 s ALA 3124Ca 0.00 1.67 -0.19 0.00 0.00 0.00 0.00 51.96 53.44 1sj9 s ALA 3124Cb 0.00 -0.93 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 1sj9 s ALA 3124CO 0.00 -0.29 -0.34 -2.30 0.00 0.00 0.00 175.76 172.82 1sj9 n PRO 3125N 0.65 -0.72 0.00 0.00 -0.02 -1.26 -4.14 135.00 129.51 1sj9 n PRO 3125Ca -0.07 -0.19 0.11 0.00 -2.02 0.00 0.00 63.50 61.33 1sj9 n PRO 3125Cb 0.58 -1.49 0.54 0.00 -0.02 0.00 0.00 33.50 33.11 1sj9 n PRO 3125CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1sj9 n MET 3126N -0.36 0.13 -0.03 -0.52 1.56 -1.26 -2.89 117.12 113.74 1sj9 n MET 3126Ca 0.01 0.08 -0.13 0.00 -0.27 0.00 0.00 57.70 57.39 1sj9 n MET 3126Cb 0.62 -1.50 -0.10 0.00 2.15 0.00 0.00 33.22 34.39 1sj9 n MET 3126CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 1sj9 h GLU 3127N 0.00 0.11 -6.67 2.12 3.07 -2.04 -3.45 114.58 107.73 1sj9 h GLU 3127Ca 0.00 -0.07 -0.57 0.00 -0.50 0.00 0.00 59.36 58.22 1sj9 h GLU 3127Cb 0.34 0.01 0.09 0.00 -0.84 0.00 0.00 28.75 28.35 1sj9 h GLU 3127CO 0.00 0.65 0.65 0.34 -1.40 0.00 0.00 179.01 179.25 1sj9 n PHE 3128N -4.71 2.34 -2.97 4.33 -0.00 -1.14 -4.98 117.46 110.33 1sj9 n PHE 3128Ca -0.08 0.42 -0.35 0.00 -0.00 0.00 0.00 57.45 57.44 1sj9 n PHE 3128Cb 0.33 -2.48 -0.06 0.00 -0.00 0.00 0.00 39.48 37.27 1sj9 n PHE 3128CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1sj9 s PRO 3129N -0.75 4.29 -1.14 -7.13 0.04 -1.26 -4.91 135.00 124.14 1sj9 s PRO 3129Ca 0.64 1.00 -0.08 0.00 0.04 0.00 0.00 61.00 62.61 1sj9 s PRO 3129Cb -0.60 -2.65 0.26 0.00 0.04 0.00 0.00 34.50 31.55 1sj9 s PRO 3129CO 0.52 0.24 1.41 0.00 0.04 0.00 0.00 177.00 179.22 1sj9 n ALA 3130N 0.23 4.73 -2.74 8.56 0.00 -1.26 -4.62 120.51 125.42 1sj9 n ALA 3130Ca 0.02 -4.63 -0.34 0.00 0.00 0.00 0.00 53.44 48.49 1sj9 n ALA 3130Cb 0.52 -2.56 -0.08 0.00 0.00 0.00 0.00 19.45 17.33 1sj9 n ALA 3130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sj9 s VAL 3131N -1.33 4.51 0.05 0.00 0.11 -1.26 -1.05 120.40 121.44 1sj9 s VAL 3131Ca 0.34 -0.38 -0.01 0.00 -2.93 0.00 0.00 61.98 58.99 1sj9 s VAL 3131Cb -0.00 -3.00 0.01 0.00 -1.53 0.00 0.00 36.38 31.85 1sj9 s VAL 3131CO 0.02 0.44 0.05 0.00 -3.33 0.00 0.00 175.10 172.27 1sj9 n ALA 3132N 1.53 -0.15 -2.98 1.54 0.00 0.67 -4.75 120.51 116.38 1sj9 n ALA 3132Ca -0.15 -0.07 -0.33 0.00 0.00 0.00 0.00 53.44 52.89 1sj9 n ALA 3132Cb 0.53 -0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.85 1sj9 n ALA 3132CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1sj9 s ASP 3133N -1.65 4.43 0.19 0.00 2.15 0.64 -4.90 116.67 117.52 1sj9 s ASP 3133Ca 0.03 -0.21 -0.17 0.00 0.43 0.00 0.00 52.55 52.63 1sj9 s ASP 3133Cb -0.00 -1.66 0.15 0.00 -0.30 0.00 0.00 42.92 41.11 1sj9 s ASP 3133CO 0.02 0.18 1.63 0.15 -0.17 0.00 0.00 175.17 176.99 1sj9 h PHE 3134N 6.60 -0.42 -0.79 -5.34 3.57 -1.96 0.73 116.94 119.32 1sj9 h PHE 3134Ca -0.30 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.30 1sj9 h PHE 3134Cb 1.20 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 40.15 1sj9 h PHE 3134CO 0.52 -0.27 0.49 0.00 -2.23 0.00 0.00 178.31 176.82 1sj9 h ALA 3135N 1.36 1.05 0.00 2.41 0.00 -1.95 0.47 119.26 122.59 1sj9 h ALA 3135Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1sj9 h ALA 3135Cb 0.43 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1sj9 h ALA 3135CO -0.55 0.27 -0.02 0.00 0.00 0.00 0.00 179.25 178.94 1sj9 n THR 3137N -1.83 1.66 0.02 0.00 -1.04 0.24 -3.75 114.28 109.59 1sj9 n THR 3137Ca 0.06 -0.47 -0.08 0.00 -2.04 0.00 0.00 64.05 61.52 1sj9 n THR 3137Cb 0.38 -1.78 0.09 0.00 -1.82 0.00 0.00 70.33 67.20 1sj9 n THR 3137CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1sj9 h THR 3138N -0.28 1.33 0.00 12.58 1.35 -0.23 -2.38 112.91 125.27 1sj9 h THR 3138Ca -0.45 -1.78 0.00 0.00 -0.55 0.00 0.00 66.41 63.63 1sj9 h THR 3138Cb 1.81 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 70.00 1sj9 h THR 3138CO -0.05 0.55 0.00 0.00 -0.25 0.00 0.00 175.52 175.77 1sj9 n ALA 3139N -2.50 2.21 0.00 6.62 0.00 -1.01 -2.08 120.51 123.75 1sj9 n ALA 3139Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1sj9 n ALA 3139Cb 0.59 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1sj9 n ALA 3139CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sj9 n LEU 3140N -0.55 0.00 -0.01 0.00 4.77 -0.92 -4.22 117.00 116.07 1sj9 n LEU 3140Ca 0.02 -0.24 0.10 0.00 -0.03 0.00 0.00 56.01 55.86 1sj9 n LEU 3140Cb 0.01 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.96 1sj9 n LEU 3140CO 0.01 0.00 -0.46 0.52 -1.33 0.00 0.00 177.39 176.13 1sj9 n VAL 3141N -1.04 0.00 0.03 4.08 0.31 -0.98 -3.27 118.33 117.45 1sj9 n VAL 3141Ca 0.00 -0.29 -0.22 0.00 -0.01 0.00 0.00 64.34 63.82 1sj9 n VAL 3141Cb 0.00 0.43 -0.14 0.00 -0.91 0.00 0.00 33.84 33.21 1sj9 n VAL 3141CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1sj9 h GLU 3142N 0.00 0.29 -0.10 5.55 5.08 -1.68 -2.98 114.58 120.75 1sj9 h GLU 3142Ca 0.00 -0.50 0.03 0.00 -1.00 0.00 0.00 59.36 57.88 1sj9 h GLU 3142Cb 0.73 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 1sj9 h GLU 3142CO 0.00 1.24 -0.07 0.00 -1.00 0.00 0.00 179.01 179.18 1sj9 h ALA 3143N 0.02 0.01 -0.66 3.43 0.00 -1.73 1.12 119.26 121.44 1sj9 h ALA 3143Ca -0.36 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1sj9 h ALA 3143Cb 1.94 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.86 1sj9 h ALA 3143CO 0.10 -0.54 0.24 0.00 0.00 0.00 0.00 179.25 179.05 1sj9 h ALA 3144N 0.99 1.17 -0.03 0.00 0.00 -1.70 -2.25 119.26 117.44 1sj9 h ALA 3144Ca 0.06 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1sj9 h ALA 3144Cb 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1sj9 h ALA 3144CO -0.15 0.59 -0.54 0.87 0.00 0.00 0.00 179.25 180.02 1sj9 h LYS 3145N 0.97 0.09 -0.84 0.00 1.57 -1.15 0.32 116.57 117.52 1sj9 h LYS 3145Ca 0.22 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1sj9 h LYS 3145Cb 0.23 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 1sj9 h LYS 3145CO -0.01 0.61 0.55 0.77 -0.57 0.00 0.00 179.45 180.80 1sj9 h SER 3146N 0.07 0.96 0.04 0.86 0.02 0.19 0.45 113.55 116.14 1sj9 h SER 3146Ca -0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1sj9 h SER 3146Cb 0.98 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1sj9 h SER 3146CO 0.08 0.70 -0.06 2.30 -1.14 0.00 0.00 176.83 178.71 1sj9 n ILE 3147N -4.50 0.00 -1.42 3.27 -5.35 -1.08 -4.94 119.36 105.35 1sj9 n ILE 3147Ca 0.09 -0.23 -0.05 0.00 -0.27 0.00 0.00 62.75 62.29 1sj9 n ILE 3147Cb 0.02 0.52 -0.02 0.00 -1.74 0.00 0.00 39.64 38.42 1sj9 n ILE 3147CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sj9 n GLY 3148N 1.22 0.58 3.74 3.28 0.00 0.15 -5.02 105.19 109.14 1sj9 n GLY 3148Ca 0.17 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 1sj9 n GLY 3148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sj9 s ALA 3149N -2.20 3.41 -0.95 4.61 0.00 0.10 -4.90 121.76 121.83 1sj9 s ALA 3149Ca 0.00 0.89 -0.25 0.00 0.00 0.00 0.00 51.96 52.60 1sj9 s ALA 3149Cb 0.00 -3.38 -0.19 0.00 0.00 0.00 0.00 23.12 19.55 1sj9 s ALA 3149CO 0.00 -0.29 1.96 2.41 0.00 0.00 0.00 175.76 179.83 1sj9 n THR 3150N 2.38 0.95 -2.12 0.00 -1.04 -1.26 -4.50 114.28 108.69 1sj9 n THR 3150Ca 0.03 -0.95 -0.33 0.00 -2.04 0.00 0.00 64.05 60.76 1sj9 n THR 3150Cb 0.45 -2.10 0.00 0.00 -1.82 0.00 0.00 70.33 66.86 1sj9 n THR 3150CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1sj9 s THR 3151N 12.26 3.82 -0.09 12.58 -1.32 -1.26 -3.45 115.64 138.18 1sj9 s THR 3151Ca 0.72 0.90 0.01 0.00 -1.21 0.00 0.00 61.69 62.11 1sj9 s THR 3151Cb 0.02 -3.40 0.02 0.00 -1.51 0.00 0.00 72.50 67.62 1sj9 s THR 3151CO 0.18 -0.48 -0.09 -1.00 -2.21 0.00 0.00 174.62 171.03 1sj9 s HIS 3152N -2.40 1.40 -0.13 9.09 3.76 0.61 -4.92 115.29 122.70 1sj9 s HIS 3152Ca 0.64 -0.62 0.01 0.00 -0.15 0.00 0.00 55.06 54.94 1sj9 s HIS 3152Cb -0.16 -1.12 -0.01 0.00 1.11 0.00 0.00 32.58 32.40 1sj9 s HIS 3152CO 0.35 -0.40 -0.16 0.08 -0.85 0.00 0.00 174.74 173.75 1sj9 s VAL 3153N 1.29 2.68 0.00 -0.90 1.01 -1.25 -0.82 120.40 122.41 1sj9 s VAL 3153Ca -0.03 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1sj9 s VAL 3153Cb -0.14 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.14 1sj9 s VAL 3153CO -0.03 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1sj9 n GLY 3154N 3.70 1.77 3.50 4.51 0.00 -1.20 -5.00 105.19 112.48 1sj9 n GLY 3154Ca -0.19 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.48 1sj9 n GLY 3154CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sj9 s VAL 3155N 0.15 2.76 -0.05 1.61 -7.23 -1.26 -1.76 120.40 114.63 1sj9 s VAL 3155Ca 0.00 -1.92 0.06 0.00 -1.81 0.00 0.00 61.98 58.31 1sj9 s VAL 3155Cb 0.00 -2.37 -0.01 0.00 0.56 0.00 0.00 36.38 34.56 1sj9 s VAL 3155CO 0.00 -0.16 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.52 1sj9 s THR 3156N -1.81 1.80 -0.73 5.32 2.01 -0.76 0.12 115.64 121.59 1sj9 s THR 3156Ca 0.24 -0.93 -0.25 0.00 0.31 0.00 0.00 61.69 61.06 1sj9 s THR 3156Cb -0.08 -1.53 0.05 0.00 0.01 0.00 0.00 72.50 70.95 1sj9 s THR 3156CO 0.13 0.51 1.18 0.00 -0.69 0.00 0.00 174.62 175.75 1sj9 s ALA 3157N -0.14 2.88 -1.09 7.40 0.00 -0.49 0.15 121.76 130.49 1sj9 s ALA 3157Ca -0.02 -1.59 -0.18 0.00 0.00 0.00 0.00 51.96 50.16 1sj9 s ALA 3157Cb -0.12 -4.13 0.11 0.00 0.00 0.00 0.00 23.12 18.97 1sj9 s ALA 3157CO 0.03 -3.13 1.39 0.45 0.00 0.00 0.00 175.76 174.50 1sj9 s SER 3158N 3.77 6.74 1.05 0.00 0.15 0.11 -3.16 113.70 122.36 1sj9 s SER 3158Ca 0.31 -2.19 -0.11 0.00 0.70 0.00 0.00 55.95 54.65 1sj9 s SER 3158Cb -0.11 -2.48 0.16 0.00 -1.71 0.00 0.00 66.02 61.89 1sj9 s SER 3158CO 0.12 -1.12 0.81 -0.24 1.20 0.00 0.00 173.24 174.01 1sj9 n SER 3159N 7.27 -0.47 -0.00 5.45 2.88 -0.73 -0.85 113.62 127.16 1sj9 n SER 3159Ca 0.34 -1.19 0.01 0.00 -1.33 0.00 0.00 58.87 56.70 1sj9 n SER 3159Cb 0.48 -0.65 -0.01 0.00 -0.75 0.00 0.00 64.21 63.27 1sj9 n SER 3159CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1sj9 n ASP 3160N -3.75 2.26 -4.35 -3.46 8.00 -0.23 -4.35 116.55 110.68 1sj9 n ASP 3160Ca 0.10 -0.28 -0.29 0.00 0.71 0.00 0.00 54.79 55.04 1sj9 n ASP 3160Cb 0.37 1.05 -0.14 0.00 -0.02 0.00 0.00 41.12 42.39 1sj9 n ASP 3160CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1sj9 s THR 3161N -1.67 2.11 -0.87 -3.53 -4.23 -1.26 -4.97 115.64 101.21 1sj9 s THR 3161Ca 0.00 -1.51 0.27 0.00 -1.18 0.00 0.00 61.69 59.26 1sj9 s THR 3161Cb 0.02 -1.83 0.17 0.00 1.34 0.00 0.00 72.50 72.19 1sj9 s THR 3161CO 0.09 0.22 1.68 0.33 -0.54 0.00 0.00 174.62 176.40 1sj9 n PHE 3162N 1.42 0.34 -0.01 3.99 -0.00 -1.26 -4.04 117.46 117.92 1sj9 n PHE 3162Ca -0.17 0.10 -0.01 0.00 -0.00 0.00 0.00 57.45 57.37 1sj9 n PHE 3162Cb 0.53 -0.59 -0.00 0.00 -0.00 0.00 0.00 39.48 39.41 1sj9 n PHE 3162CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 1sj9 n TYR 3163N -1.81 0.00 -0.02 -5.13 4.02 -1.26 -4.67 117.16 108.29 1sj9 n TYR 3163Ca 0.06 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.79 1sj9 n TYR 3163Cb 0.38 -0.05 -0.09 0.00 -0.02 0.00 0.00 39.34 39.55 1sj9 n TYR 3163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1sj9 h PRO 3164N -0.11 0.43 -0.03 -0.72 0.13 -1.82 0.23 132.00 130.10 1sj9 h PRO 3164Ca 0.00 -0.37 0.01 0.00 -0.87 0.00 0.00 66.00 64.77 1sj9 h PRO 3164Cb 0.11 0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.32 1sj9 h PRO 3164CO 0.00 1.01 0.32 0.78 -0.23 0.00 0.00 178.00 179.88 1sj9 h GLY 3165N -0.03 0.00 -1.68 1.56 0.00 -1.90 1.13 103.07 102.15 1sj9 h GLY 3165Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1sj9 h GLY 3165CO 0.09 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.57 1sj9 n GLN 3166N -2.98 2.95 -3.58 4.80 6.02 -1.18 -4.84 117.38 118.58 1sj9 n GLN 3166Ca -0.01 -2.33 -0.19 0.00 -0.01 0.00 0.00 57.00 54.46 1sj9 n GLN 3166Cb 0.38 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.19 1sj9 n GLN 3166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1sj9 n GLU 3167N 0.57 -1.42 -4.32 -1.09 2.13 0.39 -4.90 120.64 112.00 1sj9 n GLU 3167Ca 0.16 0.93 -0.34 0.00 0.66 0.00 0.00 57.16 58.57 1sj9 n GLU 3167Cb 0.57 -3.41 -0.13 0.00 0.27 0.00 0.00 31.44 28.73 1sj9 n GLU 3167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1sj9 s ARG 3168N -4.53 3.49 0.00 5.31 0.52 0.04 -5.00 118.95 118.78 1sj9 s ARG 3168Ca 0.05 -0.60 0.19 0.00 -0.52 0.00 0.00 55.73 54.85 1sj9 s ARG 3168Cb -0.02 -2.88 -0.18 0.00 0.52 0.00 0.00 34.95 32.39 1sj9 s ARG 3168CO 0.85 0.07 0.85 0.66 0.02 0.00 0.00 175.30 177.76 1sj9 n TYR 3169N 4.00 0.00 -1.18 -0.53 4.02 -1.26 -4.55 117.16 117.66 1sj9 n TYR 3169Ca -0.18 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.47 1sj9 n TYR 3169Cb 0.52 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.73 1sj9 n TYR 3169CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1sj9 n ASP 3170N -1.27 6.77 -2.64 7.72 8.00 -1.26 -4.31 116.55 129.57 1sj9 n ASP 3170Ca 0.04 -2.57 -0.11 0.00 0.71 0.00 0.00 54.79 52.87 1sj9 n ASP 3170Cb 0.32 -1.46 -0.03 0.00 -0.02 0.00 0.00 41.12 39.93 1sj9 n ASP 3170CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1sj9 n THR 3171N 2.82 0.00 0.07 -3.53 -2.24 -1.26 -5.04 114.28 105.09 1sj9 n THR 3171Ca 0.58 -0.88 -0.03 0.00 -2.27 0.00 0.00 64.05 61.45 1sj9 n THR 3171Cb 0.61 0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 69.08 1sj9 n THR 3171CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1sj9 h TYR 3172N 1.18 -0.21 -0.03 4.78 -0.00 -1.97 -3.27 116.97 117.45 1sj9 h TYR 3172Ca -0.13 -0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.59 1sj9 h TYR 3172Cb 0.46 0.08 -0.00 0.00 -0.00 0.00 0.00 36.73 37.26 1sj9 h TYR 3172CO 0.00 -0.12 0.00 0.66 -0.00 0.00 0.00 178.16 178.71 1sj9 h SER 3173N -0.19 0.06 0.00 -2.11 4.64 -1.99 -3.47 113.55 110.49 1sj9 h SER 3173Ca -0.02 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1sj9 h SER 3173Cb 0.15 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1sj9 h SER 3173CO 0.01 0.31 0.00 0.61 -0.87 0.00 0.00 176.83 176.90 1sj9 n GLY 3174N -0.37 0.75 2.95 -0.77 0.00 -1.23 -5.06 105.19 101.45 1sj9 n GLY 3174Ca -0.07 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 1sj9 n GLY 3174CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1sj9 s ARG 3175N -1.77 0.11 -0.12 1.61 1.70 -1.26 -4.87 118.95 114.34 1sj9 s ARG 3175Ca 0.00 0.38 -0.06 0.00 -0.47 0.00 0.00 55.73 55.58 1sj9 s ARG 3175Cb 0.00 -0.16 -0.04 0.00 -0.57 0.00 0.00 34.95 34.18 1sj9 s ARG 3175CO 0.00 -0.16 0.09 0.14 -1.08 0.00 0.00 175.30 174.30 1sj9 s VAL 3176N 1.12 5.12 0.59 4.99 -7.23 -1.26 -5.02 120.40 118.71 1sj9 s VAL 3176Ca -0.09 0.06 -0.19 0.00 -1.81 0.00 0.00 61.98 59.96 1sj9 s VAL 3176Cb -0.11 -3.22 -0.05 0.00 0.56 0.00 0.00 36.38 33.56 1sj9 s VAL 3176CO -0.06 0.59 0.98 0.55 -0.31 0.00 0.00 175.10 176.85 1sj9 n VAL 3177N 2.24 3.66 -0.31 1.32 3.14 -1.26 -4.46 118.33 122.65 1sj9 n VAL 3177Ca -0.19 -0.50 -0.08 0.00 -2.96 0.00 0.00 64.34 60.61 1sj9 n VAL 3177Cb 0.54 -1.16 -0.07 0.00 -1.06 0.00 0.00 33.84 32.09 1sj9 n VAL 3177CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1sj9 n ARG 3178N -0.97 -0.32 0.03 1.45 0.63 -1.26 -0.08 116.66 116.13 1sj9 n ARG 3178Ca 0.13 1.10 0.21 0.00 -0.92 0.00 0.00 57.85 58.37 1sj9 n ARG 3178Cb 0.47 -1.62 0.56 0.00 0.45 0.00 0.00 32.46 32.32 1sj9 n ARG 3178CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1sj9 h ARG 3179N 0.00 0.00 -0.01 -0.14 1.12 -2.04 0.21 114.38 113.53 1sj9 h ARG 3179Ca 0.12 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.99 1sj9 h ARG 3179Cb 0.30 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.26 1sj9 h ARG 3179CO -0.68 0.00 -0.12 1.19 -3.11 0.00 0.00 179.97 177.25 1sj9 n PHE 3180N -3.29 0.00 -1.84 2.20 3.01 0.88 -4.66 117.46 113.76 1sj9 n PHE 3180Ca 0.12 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.36 1sj9 n PHE 3180Cb 0.99 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 40.38 1sj9 n PHE 3180CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1sj9 s LYS 3181N -1.08 1.94 0.00 -1.08 2.47 0.75 -0.74 119.74 122.00 1sj9 s LYS 3181Ca 0.08 -0.51 0.00 0.00 -1.56 0.00 0.00 55.97 53.98 1sj9 s LYS 3181Cb 0.07 -5.05 0.00 0.00 -1.46 0.00 0.00 37.83 31.39 1sj9 s LYS 3181CO 0.18 -4.44 0.00 0.41 0.16 0.00 0.00 175.35 171.66 1sj9 n GLY 3182N 6.27 1.25 0.28 5.54 0.00 -1.26 -5.02 105.19 112.25 1sj9 n GLY 3182Ca 0.43 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.50 1sj9 n GLY 3182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1sj9 h SER 3183N 0.00 -0.49 -0.99 1.61 4.64 -1.20 -1.14 113.55 115.98 1sj9 h SER 3183Ca 0.00 0.21 0.04 0.00 -0.47 0.00 0.00 61.79 61.57 1sj9 h SER 3183Cb 0.00 0.40 -0.06 0.00 -0.31 0.00 0.00 62.40 62.43 1sj9 h SER 3183CO 0.00 -0.22 0.65 -0.03 -0.87 0.00 0.00 176.83 176.36 1sj9 h MET 3184N 0.06 1.22 0.00 4.77 -1.53 -1.91 0.11 114.93 117.64 1sj9 h MET 3184Ca 0.41 -0.07 0.00 0.00 -3.44 0.00 0.00 59.70 56.60 1sj9 h MET 3184Cb 0.70 -0.27 0.00 0.00 -0.55 0.00 0.00 31.60 31.48 1sj9 h MET 3184CO -0.73 0.80 0.00 0.93 0.14 0.00 0.00 176.91 178.06 1sj9 h GLU 3185N 1.25 0.00 0.20 0.39 4.39 -1.62 -1.71 114.58 117.48 1sj9 h GLU 3185Ca 0.40 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.74 1sj9 h GLU 3185Cb 0.00 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1sj9 h GLU 3185CO -0.13 0.00 -1.73 1.49 -1.16 0.00 0.00 179.01 177.49 1sj9 h GLU 3186N 0.00 0.42 -0.91 2.33 4.57 -0.69 -3.20 114.58 117.10 1sj9 h GLU 3186Ca 0.00 -0.71 -0.01 0.00 -1.18 0.00 0.00 59.36 57.46 1sj9 h GLU 3186Cb 0.48 0.26 -0.04 0.00 -0.16 0.00 0.00 28.75 29.29 1sj9 h GLU 3186CO 0.00 1.34 0.53 -1.49 -1.18 0.00 0.00 179.01 178.21 1sj9 h TRP 3187N 0.11 1.21 -0.23 0.92 -0.00 -0.24 -1.77 115.95 115.96 1sj9 h TRP 3187Ca -0.34 -0.01 -0.06 0.00 -0.00 0.00 0.00 58.89 58.48 1sj9 h TRP 3187Cb 2.11 -0.40 -0.01 0.00 -0.00 0.00 0.00 29.16 30.87 1sj9 h TRP 3187CO 0.11 0.82 -0.09 1.96 -0.00 0.00 0.00 178.44 181.23 1sj9 h GLN 3188N 1.26 0.47 -0.00 0.49 4.20 -1.47 -1.31 115.11 118.74 1sj9 h GLN 3188Ca 0.32 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1sj9 h GLN 3188Cb -0.03 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 1sj9 h GLN 3188CO -0.06 0.73 0.00 0.00 -0.67 0.00 0.00 178.83 178.83 1sj9 h ALA 3189N 0.73 1.67 -0.01 3.87 0.00 -1.50 0.13 119.26 124.15 1sj9 h ALA 3189Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1sj9 h ALA 3189Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1sj9 h ALA 3189CO 0.03 -0.00 -0.17 -1.33 0.00 0.00 0.00 179.25 177.78 1sj9 n MET 3190N -4.05 1.25 -0.32 0.00 2.81 -0.68 -4.97 117.12 111.15 1sj9 n MET 3190Ca -0.03 -0.78 0.00 0.00 -1.81 0.00 0.00 57.70 55.08 1sj9 n MET 3190Cb 0.09 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.11 1sj9 n MET 3190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sj9 n GLY 3191N 1.29 1.38 3.61 3.03 0.00 0.47 -5.03 105.19 109.93 1sj9 n GLY 3191Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1sj9 n GLY 3191CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1sj9 n VAL 3192N -2.00 2.40 -0.05 1.61 0.24 -0.54 -4.65 118.33 115.35 1sj9 n VAL 3192Ca 0.00 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.34 61.66 1sj9 n VAL 3192Cb 0.00 -1.15 -0.12 0.00 -1.47 0.00 0.00 33.84 31.10 1sj9 n VAL 3192CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 1sj9 h MET 3193N 1.58 0.04 0.00 7.34 0.00 0.60 -3.43 114.93 121.06 1sj9 h MET 3193Ca -0.44 -0.05 0.00 0.00 0.00 0.00 0.00 59.70 59.21 1sj9 h MET 3193Cb 1.34 0.02 0.00 0.00 0.00 0.00 0.00 31.60 32.95 1sj9 h MET 3193CO 0.57 0.89 0.00 0.27 0.00 0.00 0.00 176.91 178.64 1sj9 n ASN 3194N -4.62 0.00 -4.07 1.22 6.94 -1.26 -1.68 115.26 111.79 1sj9 n ASN 3194Ca -0.10 0.00 -0.21 0.00 -0.02 0.00 0.00 54.58 54.26 1sj9 n ASN 3194Cb 0.45 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.72 1sj9 n ASN 3194CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1sj9 s TYR 3195N -2.61 1.06 0.21 -2.53 2.02 -1.24 -1.39 117.35 112.87 1sj9 s TYR 3195Ca 0.00 -0.21 -0.08 0.00 -0.37 0.00 0.00 57.07 56.42 1sj9 s TYR 3195Cb 0.00 -0.68 0.03 0.00 -0.40 0.00 0.00 41.96 40.91 1sj9 s TYR 3195CO 0.00 -0.02 0.41 -0.85 -1.57 0.00 0.00 175.55 173.53 1sj9 n GLU 3196N 2.73 0.59 0.00 -0.62 -0.00 -1.19 -4.50 120.64 117.66 1sj9 n GLU 3196Ca -0.14 -1.21 0.00 0.00 -0.00 0.00 0.00 57.16 55.81 1sj9 n GLU 3196Cb 0.56 1.49 0.00 0.00 -0.00 0.00 0.00 31.44 33.49 1sj9 n GLU 3196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1sj9 n MET 3197N -0.29 0.20 -0.00 3.44 2.81 -1.26 -1.77 117.12 120.24 1sj9 n MET 3197Ca -0.04 -0.50 0.00 0.00 -1.81 0.00 0.00 57.70 55.35 1sj9 n MET 3197Cb 0.32 -0.54 -0.01 0.00 -0.71 0.00 0.00 33.22 32.28 1sj9 n MET 3197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1sj9 n GLU 3198N -0.04 0.68 -0.20 0.03 4.71 -1.26 -3.70 120.64 120.86 1sj9 n GLU 3198Ca 0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 57.16 57.12 1sj9 n GLU 3198Cb 0.44 -1.03 0.20 0.00 -1.01 0.00 0.00 31.44 30.04 1sj9 n GLU 3198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1sj9 h SER 3199N 0.00 0.88 -0.77 1.62 4.64 -1.95 -2.45 113.55 115.52 1sj9 h SER 3199Ca -0.01 -0.08 0.12 0.00 -0.47 0.00 0.00 61.79 61.35 1sj9 h SER 3199Cb 0.24 -0.22 -0.08 0.00 -0.31 0.00 0.00 62.40 62.02 1sj9 h SER 3199CO 0.00 0.72 0.38 0.00 -0.87 0.00 0.00 176.83 177.06 1sj9 h ALA 3200N 1.42 1.09 0.40 5.18 0.00 -1.86 0.56 119.26 126.05 1sj9 h ALA 3200Ca 0.25 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1sj9 h ALA 3200Cb 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1sj9 h ALA 3200CO -0.04 -0.07 -0.19 1.15 0.00 0.00 0.00 179.25 180.10 1sj9 h THR 3201N 0.60 0.20 0.28 0.00 2.02 -1.83 -3.20 112.91 110.99 1sj9 h THR 3201Ca 0.39 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1sj9 h THR 3201Cb 0.48 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 1sj9 h THR 3201CO -0.31 0.05 -0.52 0.25 0.37 0.00 0.00 175.52 175.35 1sj9 h LEU 3202N -1.08 -1.51 -0.62 2.58 5.85 -1.18 0.14 115.31 119.49 1sj9 h LEU 3202Ca -0.06 0.14 0.11 0.00 0.84 0.00 0.00 57.88 58.92 1sj9 h LEU 3202Cb 0.49 0.53 -0.12 0.00 0.37 0.00 0.00 40.66 41.94 1sj9 h LEU 3202CO 0.09 -0.61 -0.31 -0.07 -0.34 0.00 0.00 178.44 177.20 1sj9 h LEU 3203N -0.87 -1.08 -0.06 2.25 3.38 -0.04 -0.37 115.31 118.53 1sj9 h LEU 3203Ca -0.03 0.23 -0.25 0.00 0.09 0.00 0.00 57.88 57.92 1sj9 h LEU 3203Cb 0.81 0.56 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1sj9 h LEU 3203CO -0.19 -0.29 -1.06 0.74 0.09 0.00 0.00 178.44 177.72 1sj9 h THR 3204N -0.13 1.44 0.00 0.22 2.02 -1.52 0.19 112.91 115.12 1sj9 h THR 3204Ca 0.25 -2.69 0.00 0.00 0.77 0.00 0.00 66.41 64.75 1sj9 h THR 3204Cb 0.55 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.59 1sj9 h THR 3204CO -0.69 0.79 0.00 0.00 0.37 0.00 0.00 175.52 175.99 1sj9 h MET 3205N 0.16 0.00 0.00 6.66 -0.00 -0.42 -2.04 114.93 119.30 1sj9 h MET 3205Ca -0.10 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.49 1sj9 h MET 3205Cb 1.74 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 33.32 1sj9 h MET 3205CO 0.18 0.00 -0.65 0.00 -0.00 0.00 0.00 176.91 176.44 1sj9 n ALA 3207N -3.18 0.92 -1.43 0.00 0.00 0.05 -1.63 120.51 115.25 1sj9 n ALA 3207Ca -0.18 0.09 -0.06 0.00 0.00 0.00 0.00 53.44 53.29 1sj9 n ALA 3207Cb 0.48 -1.05 0.20 0.00 0.00 0.00 0.00 19.45 19.08 1sj9 n ALA 3207CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1sj9 n SER 3208N -1.82 2.60 -2.65 0.00 3.41 -0.77 -4.79 113.62 109.59 1sj9 n SER 3208Ca -0.01 -3.75 -0.04 0.00 -0.26 0.00 0.00 58.87 54.81 1sj9 n SER 3208Cb 0.07 -0.65 0.08 0.00 -0.26 0.00 0.00 64.21 63.45 1sj9 n SER 3208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sj9 n GLN 3209N -1.11 0.03 -1.15 4.33 10.64 -0.65 -5.00 117.38 124.48 1sj9 n GLN 3209Ca 0.35 -0.56 -0.03 0.00 -1.83 0.00 0.00 57.00 54.93 1sj9 n GLN 3209Cb 1.08 -0.04 -0.01 0.00 -0.86 0.00 0.00 30.24 30.41 1sj9 n GLN 3209CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1sj9 n GLY 3210N 1.55 0.29 3.49 2.61 0.00 -1.26 -4.90 105.19 106.97 1sj9 n GLY 3210Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1sj9 n GLY 3210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sj9 s LEU 3211N -2.55 2.76 0.14 0.99 1.43 -1.12 -4.97 118.68 115.37 1sj9 s LEU 3211Ca 0.00 -0.28 0.09 0.00 -1.03 0.00 0.00 54.13 52.90 1sj9 s LEU 3211Cb 0.00 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 1sj9 s LEU 3211CO 0.00 0.30 -0.14 0.00 0.23 0.00 0.00 176.35 176.74 1sj9 s ARG 3212N -1.16 1.93 0.13 1.70 1.70 -0.75 -3.69 118.95 118.81 1sj9 s ARG 3212Ca 0.14 -1.21 -0.25 0.00 -0.47 0.00 0.00 55.73 53.93 1sj9 s ARG 3212Cb -0.11 -2.14 0.07 0.00 -0.57 0.00 0.00 34.95 32.20 1sj9 s ARG 3212CO 0.04 0.46 0.89 0.00 -1.08 0.00 0.00 175.30 175.61 1sj9 s ALA 3213N -1.41 -1.64 0.20 7.88 0.00 -1.26 -0.34 121.76 125.19 1sj9 s ALA 3213Ca 0.21 0.29 -0.15 0.00 0.00 0.00 0.00 51.96 52.31 1sj9 s ALA 3213Cb -0.10 0.63 0.01 0.00 0.00 0.00 0.00 23.12 23.67 1sj9 s ALA 3213CO 0.13 -0.95 0.48 0.20 0.00 0.00 0.00 175.76 175.62 1sj9 s GLY 3214N -2.83 0.12 -0.03 0.00 0.00 -1.14 -0.26 107.32 103.17 1sj9 s GLY 3214Ca 0.10 -0.46 0.01 0.00 0.00 0.00 0.00 44.72 44.36 1sj9 s GLY 3214CO -0.01 -0.43 -0.01 -0.29 0.00 0.00 0.00 173.10 172.37 1sj9 s MET 3215N -3.92 0.46 0.00 2.90 1.75 -1.26 -1.58 119.30 117.65 1sj9 s MET 3215Ca 0.13 0.02 0.07 0.00 -1.25 0.00 0.00 55.69 54.66 1sj9 s MET 3215Cb -0.00 -0.59 -0.02 0.00 2.84 0.00 0.00 34.83 37.06 1sj9 s MET 3215CO 0.00 -0.12 -0.21 0.54 -0.65 0.00 0.00 175.02 174.58 1sj9 s VAL 3216N 0.99 1.70 -0.02 10.11 0.11 -0.55 -0.75 120.40 131.99 1sj9 s VAL 3216Ca -0.10 -1.00 -0.16 0.00 -2.93 0.00 0.00 61.98 57.78 1sj9 s VAL 3216Cb -0.14 -1.43 0.03 0.00 -1.53 0.00 0.00 36.38 33.31 1sj9 s VAL 3216CO -0.01 0.41 0.34 0.00 -3.33 0.00 0.00 175.10 172.51 1sj9 s ALA 3217N -0.58 -0.88 -0.14 1.54 0.00 -0.64 -2.46 121.76 118.59 1sj9 s ALA 3217Ca 0.08 0.43 -0.04 0.00 0.00 0.00 0.00 51.96 52.43 1sj9 s ALA 3217Cb -0.08 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 1sj9 s ALA 3217CO -0.00 -0.27 -0.02 0.20 0.00 0.00 0.00 175.76 175.67 1sj9 s GLY 3218N -1.29 1.76 -0.53 0.00 0.00 -1.02 0.75 107.32 106.98 1sj9 s GLY 3218Ca -0.13 -0.81 -0.27 0.00 0.00 0.00 0.00 44.72 43.51 1sj9 s GLY 3218CO 0.05 -0.16 1.92 0.14 0.00 0.00 0.00 173.10 175.05 1sj9 s VAL 3219N 0.10 3.33 0.02 1.40 1.01 -0.80 -1.51 120.40 123.96 1sj9 s VAL 3219Ca 0.00 0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.17 1sj9 s VAL 3219Cb -0.13 -3.75 -0.29 0.00 0.00 0.00 0.00 36.38 32.21 1sj9 s VAL 3219CO 0.02 -0.68 0.92 -0.29 0.00 0.00 0.00 175.10 175.08 1sj9 h ILE 3220N 6.98 1.23 -3.27 2.22 2.10 0.14 -1.13 117.51 125.78 1sj9 h ILE 3220Ca -0.27 -2.83 -0.19 0.00 1.08 0.00 0.00 64.86 62.65 1sj9 h ILE 3220Cb 1.18 2.83 -0.05 0.00 -1.09 0.00 0.00 36.82 39.69 1sj9 h ILE 3220CO 1.17 0.84 -0.13 0.55 -1.08 0.00 0.00 178.15 179.50 1sj9 n VAL 3221N -3.50 0.00 -3.29 2.19 3.14 -1.14 -4.94 118.33 110.79 1sj9 n VAL 3221Ca -0.15 -1.11 0.03 0.00 -2.96 0.00 0.00 64.34 60.15 1sj9 n VAL 3221Cb 1.05 0.64 -0.02 0.00 -1.06 0.00 0.00 33.84 34.44 1sj9 n VAL 3221CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 1sj9 s ASN 3222N -2.26 -0.87 -0.75 6.55 3.84 -1.26 -3.40 114.94 116.80 1sj9 s ASN 3222Ca 0.18 0.78 -0.06 0.00 0.21 0.00 0.00 52.86 53.97 1sj9 s ASN 3222Cb -0.00 1.82 -0.11 0.00 -0.55 0.00 0.00 41.25 42.41 1sj9 s ASN 3222CO 0.13 -0.16 2.51 -2.11 -2.79 0.00 0.00 177.10 174.68 1sj9 n ARG 3223N 5.33 2.20 0.11 0.43 1.85 -1.21 -3.63 116.66 121.73 1sj9 n ARG 3223Ca -0.06 -1.35 0.00 0.00 -1.00 0.00 0.00 57.85 55.43 1sj9 n ARG 3223Cb 0.52 -2.31 0.00 0.00 -1.05 0.00 0.00 32.46 29.61 1sj9 n ARG 3223CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1sj9 n THR 3224N 3.51 0.00 -1.54 8.89 -2.24 -1.26 -4.94 114.28 116.70 1sj9 n THR 3224Ca 0.47 0.00 -0.54 0.00 -2.27 0.00 0.00 64.05 61.71 1sj9 n THR 3224Cb 0.34 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.49 1sj9 n THR 3224CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sj9 n GLN 3225N -2.90 1.12 0.00 -0.78 6.02 -1.24 -4.90 117.38 114.71 1sj9 n GLN 3225Ca 0.00 0.36 0.00 0.00 -0.01 0.00 0.00 57.00 57.35 1sj9 n GLN 3225Cb 0.00 -2.28 0.00 0.00 1.02 0.00 0.00 30.24 28.98 1sj9 n GLN 3225CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1sj9 n GLN 3226N 7.04 0.00 -1.59 -1.09 1.13 -1.26 -4.68 117.38 116.94 1sj9 n GLN 3226Ca 0.35 0.44 -0.46 0.00 -1.94 0.00 0.00 57.00 55.39 1sj9 n GLN 3226Cb 0.18 -1.12 -0.03 0.00 0.11 0.00 0.00 30.24 29.38 1sj9 n GLN 3226CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1sj9 n GLU 3227N -1.26 1.29 -3.01 -1.09 -0.00 -1.26 -4.95 120.64 110.36 1sj9 n GLU 3227Ca 0.00 0.45 -0.38 0.00 -0.00 0.00 0.00 57.16 57.23 1sj9 n GLU 3227Cb 0.00 -1.88 -0.06 0.00 -0.00 0.00 0.00 31.44 29.50 1sj9 n GLU 3227CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.13 175.63 1sj9 s ILE 3228N -0.64 4.43 0.00 3.84 1.10 -1.26 -5.07 121.20 123.59 1sj9 s ILE 3228Ca 0.65 1.56 0.00 0.00 -0.51 0.00 0.00 60.65 62.35 1sj9 s ILE 3228Cb -0.76 -4.02 0.00 0.00 0.15 0.00 0.00 42.46 37.82 1sj9 s ILE 3228CO 0.56 0.37 0.00 -0.81 -2.11 0.00 0.00 174.94 172.95 1sj9 n PRO 3229N 1.18 0.14 0.00 3.50 -0.04 -1.26 -5.08 135.00 133.44 1sj9 n PRO 3229Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1sj9 n PRO 3229Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 1sj9 n PRO 3229CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1sj9 n ASN 3230N 0.00 0.00 0.01 3.54 0.23 -1.26 -5.01 115.26 112.78 1sj9 n ASN 3230Ca 0.00 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.18 1sj9 n ASN 3230Cb 0.00 0.00 0.58 0.00 -2.08 0.00 0.00 39.78 38.28 1sj9 n ASN 3230CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1sj9 h ALA 3231N 0.00 2.13 -0.53 -2.53 0.00 -1.97 0.21 119.26 116.58 1sj9 h ALA 3231Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1sj9 h ALA 3231Cb 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1sj9 h ALA 3231CO 0.00 -0.23 0.35 0.93 0.00 0.00 0.00 179.25 180.30 1sj9 h GLU 3232N 0.22 0.59 -0.36 0.00 5.08 -2.04 -1.29 114.58 116.79 1sj9 h GLU 3232Ca 0.21 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.37 1sj9 h GLU 3232Cb 0.53 -0.13 -0.10 0.00 0.50 0.00 0.00 28.75 29.55 1sj9 h GLU 3232CO -0.04 0.39 -0.03 -2.37 -1.00 0.00 0.00 179.01 175.96 1sj9 n THR 3233N -4.47 2.53 0.69 1.13 5.66 0.71 -4.45 114.28 116.09 1sj9 n THR 3233Ca 0.06 -2.56 0.12 0.00 -3.05 0.00 0.00 64.05 58.62 1sj9 n THR 3233Cb 0.14 -0.32 0.20 0.00 -1.55 0.00 0.00 70.33 68.81 1sj9 n THR 3233CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 1sj9 n MET 3234N -1.03 2.35 0.00 1.09 0.00 -0.49 -3.97 117.12 115.08 1sj9 n MET 3234Ca 0.32 -2.01 0.15 0.00 0.00 0.00 0.00 57.70 56.16 1sj9 n MET 3234Cb 1.04 -1.49 0.73 0.00 0.00 0.00 0.00 33.22 33.50 1sj9 n MET 3234CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1sj9 n LYS 3235N 1.29 0.52 -0.39 2.12 4.76 -1.26 -4.00 118.16 121.21 1sj9 n LYS 3235Ca 0.17 -0.05 0.31 0.00 -2.87 0.00 0.00 58.31 55.87 1sj9 n LYS 3235Cb 0.57 -1.50 0.58 0.00 -1.84 0.00 0.00 35.03 32.85 1sj9 n LYS 3235CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 1sj9 h GLN 3236N 0.13 0.18 -1.15 1.97 5.75 -1.93 0.60 115.11 120.66 1sj9 h GLN 3236Ca 0.00 -0.01 0.33 0.00 -0.15 0.00 0.00 58.65 58.81 1sj9 h GLN 3236Cb 0.29 -0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.73 1sj9 h GLN 3236CO 0.00 0.12 0.80 0.00 -2.65 0.00 0.00 178.83 177.10 1sj9 h THR 3237N 0.18 0.43 0.00 2.39 1.03 -1.93 -1.30 112.91 113.71 1sj9 h THR 3237Ca 0.76 -0.04 0.00 0.00 -0.01 0.00 0.00 66.41 67.13 1sj9 h THR 3237Cb 2.17 0.31 0.00 0.00 -1.07 0.00 0.00 68.15 69.56 1sj9 h THR 3237CO -0.46 0.02 0.00 -0.62 -0.01 0.00 0.00 175.52 174.45 1sj9 n GLU 3238N -4.32 0.00 0.08 0.00 1.02 0.21 0.86 120.64 118.49 1sj9 n GLU 3238Ca 0.26 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.43 1sj9 n GLU 3238Cb 1.15 -0.39 0.15 0.00 -0.02 0.00 0.00 31.44 32.33 1sj9 n GLU 3238CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1sj9 n SER 3239N -0.07 0.15 0.00 1.62 7.64 -1.21 -1.99 113.62 119.76 1sj9 n SER 3239Ca 0.00 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.26 1sj9 n SER 3239Cb 0.00 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 1sj9 n SER 3239CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1sj9 n HIS 3240N -1.63 0.00 -0.38 1.43 8.25 -0.50 -4.56 115.22 117.83 1sj9 n HIS 3240Ca -0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 1sj9 n HIS 3240Cb 0.33 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.35 1sj9 n HIS 3240CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sj9 n ALA 3241N -3.00 -0.57 -0.14 -1.41 0.00 -1.14 0.27 120.51 114.52 1sj9 n ALA 3241Ca 0.00 0.76 -0.04 0.00 0.00 0.00 0.00 53.44 54.16 1sj9 n ALA 3241Cb 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 19.45 19.39 1sj9 n ALA 3241CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sj9 h VAL 3242N 0.00 0.53 0.36 0.00 2.07 0.41 0.28 116.25 119.90 1sj9 h VAL 3242Ca 0.14 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 1sj9 h VAL 3242Cb 0.37 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1sj9 h VAL 3242CO -0.84 0.00 -0.31 0.50 0.02 0.00 0.00 177.57 176.93 1sj9 h LYS 3243N -0.02 -0.66 -0.64 1.57 3.11 0.06 -2.45 116.57 117.55 1sj9 h LYS 3243Ca 0.21 0.05 0.07 0.00 -2.81 0.00 0.00 60.65 58.17 1sj9 h LYS 3243Cb 0.34 0.15 -0.10 0.00 -1.00 0.00 0.00 32.23 31.62 1sj9 h LYS 3243CO -0.47 -0.44 -0.54 0.82 -2.81 0.00 0.00 179.45 176.01 1sj9 h ILE 3244N -0.69 0.01 -0.84 2.00 1.08 0.52 0.20 117.51 119.80 1sj9 h ILE 3244Ca -0.03 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.50 1sj9 h ILE 3244Cb 0.61 0.01 -0.05 0.00 -3.07 0.00 0.00 36.82 34.32 1sj9 h ILE 3244CO -0.03 0.00 0.55 1.62 -0.69 0.00 0.00 178.15 179.60 1sj9 h VAL 3245N -0.24 1.08 -0.44 1.67 3.04 -0.43 0.94 116.25 121.86 1sj9 h VAL 3245Ca 0.13 -0.33 -0.12 0.00 -1.01 0.00 0.00 66.70 65.37 1sj9 h VAL 3245Cb 0.53 0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 29.83 1sj9 h VAL 3245CO -0.73 0.18 -0.19 0.58 -1.01 0.00 0.00 177.57 176.39 1sj9 h VAL 3246N 0.96 1.27 0.01 1.51 2.07 -0.76 -0.41 116.25 120.89 1sj9 h VAL 3246Ca 0.35 -1.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 1sj9 h VAL 3246Cb 0.16 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1sj9 h VAL 3246CO -0.12 0.45 -0.00 -0.08 0.02 0.00 0.00 177.57 177.84 1sj9 h GLU 3247N 0.77 -0.01 -0.51 1.57 4.22 0.13 -2.41 114.58 118.34 1sj9 h GLU 3247Ca 0.11 0.00 0.10 0.00 0.08 0.00 0.00 59.36 59.65 1sj9 h GLU 3247Cb 0.73 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.90 1sj9 h GLU 3247CO 0.06 0.65 -0.04 0.00 -2.18 0.00 0.00 179.01 177.50 1sj9 h ALA 3248N 0.29 0.45 -0.75 2.92 0.00 0.86 0.32 119.26 123.35 1sj9 h ALA 3248Ca -0.00 0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.17 1sj9 h ALA 3248Cb 0.67 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 1sj9 h ALA 3248CO 0.00 -0.41 0.49 0.00 0.00 0.00 0.00 179.25 179.34 1sj9 h ALA 3249N 1.47 1.81 0.12 0.00 0.00 -1.11 -1.39 119.26 120.16 1sj9 h ALA 3249Ca 0.26 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1sj9 h ALA 3249Cb 0.39 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1sj9 h ALA 3249CO -0.46 0.04 -0.44 0.00 0.00 0.00 0.00 179.25 178.39 1sj9 h ARG 3250N 0.67 -0.65 -0.12 0.00 3.08 0.16 -2.68 114.38 114.83 1sj9 h ARG 3250Ca 0.34 0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.45 1sj9 h ARG 3250Cb 0.45 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 1sj9 h ARG 3250CO -0.12 -0.43 -0.24 0.00 -1.07 0.00 0.00 179.97 178.10 1sj9 h ARG 3251N -0.68 -0.21 -0.81 0.04 3.08 -0.82 -1.46 114.38 113.52 1sj9 h ARG 3251Ca 0.02 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1sj9 h ARG 3251Cb 0.70 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1sj9 h ARG 3251CO -0.26 -0.14 0.00 1.47 -1.07 0.00 0.00 179.97 179.98 1sj9 n LEU 3252N -3.85 0.87 -0.10 3.04 -0.00 -1.05 -5.14 117.00 110.77 1sj9 n LEU 3252Ca -0.02 -0.43 0.16 0.00 -0.00 0.00 0.00 56.01 55.71 1sj9 n LEU 3252Cb 0.16 -0.27 0.86 0.00 -0.00 0.00 0.00 43.42 44.17 1sj9 n LEU 3252CO 0.02 0.18 1.06 0.18 -0.00 0.00 0.00 177.39 178.83