#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fdj h HIS 3002N 0.00 0.00 0.00 0.00 -0.00 -2.09 -0.71 115.15 112.36 1fdj h HIS 3002Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1fdj h HIS 3002Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1fdj h HIS 3002CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.93 178.47 1fdj n ARG 3003N -3.61 0.03 -3.43 5.12 1.74 -1.26 -3.87 116.66 111.39 1fdj n ARG 3003Ca 0.20 0.25 -0.28 0.00 -0.77 0.00 0.00 57.85 57.25 1fdj n ARG 3003Cb 1.21 -1.56 -0.08 0.00 -1.02 0.00 0.00 32.46 31.02 1fdj n ARG 3003CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1fdj n PHE 3004N -1.62 3.53 -1.79 -1.55 3.01 -0.27 -5.08 117.46 113.69 1fdj n PHE 3004Ca 0.04 -4.05 -0.35 0.00 1.01 0.00 0.00 57.45 54.10 1fdj n PHE 3004Cb 0.20 -0.63 0.05 0.00 -0.01 0.00 0.00 39.48 39.09 1fdj n PHE 3004CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1fdj s PRO 3005N -2.42 2.69 0.03 -1.08 0.04 -1.25 -4.97 135.00 128.04 1fdj s PRO 3005Ca 0.38 1.69 -0.17 0.00 0.04 0.00 0.00 61.00 62.94 1fdj s PRO 3005Cb 0.12 -1.91 -0.27 0.00 0.04 0.00 0.00 34.50 32.49 1fdj s PRO 3005CO -0.02 -1.39 1.09 0.00 0.04 0.00 0.00 177.00 176.72 1fdj h ALA 3006N 0.34 0.02 -1.75 8.56 0.00 -1.95 -3.47 119.26 121.01 1fdj h ALA 3006Ca -0.49 -0.69 -0.54 0.00 0.00 0.00 0.00 54.91 53.19 1fdj h ALA 3006Cb 1.28 0.08 -0.13 0.00 0.00 0.00 0.00 17.79 19.02 1fdj h ALA 3006CO 0.53 0.54 -0.59 -0.51 0.00 0.00 0.00 179.25 179.23 1fdj s LEU 3007N -8.05 2.35 0.30 0.00 1.43 -1.26 -4.99 118.68 108.45 1fdj s LEU 3007Ca -0.11 -1.43 0.08 0.00 -1.03 0.00 0.00 54.13 51.63 1fdj s LEU 3007Cb 0.04 -0.52 -0.03 0.00 0.03 0.00 0.00 46.19 45.71 1fdj s LEU 3007CO 0.89 -0.62 0.22 0.42 0.23 0.00 0.00 176.35 177.48 1fdj s THR 3008N -3.10 3.83 0.40 5.49 -4.23 -1.26 -4.97 115.64 111.81 1fdj s THR 3008Ca 0.32 -1.45 0.14 0.00 -1.18 0.00 0.00 61.69 59.52 1fdj s THR 3008Cb 0.08 -3.22 0.36 0.00 1.34 0.00 0.00 72.50 71.05 1fdj s THR 3008CO 0.15 -0.26 1.87 -0.65 -0.54 0.00 0.00 174.62 175.19 1fdj h PRO 3009N 1.42 0.48 -0.29 3.99 0.11 -2.02 -1.09 132.00 134.60 1fdj h PRO 3009Ca -0.46 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 1fdj h PRO 3009Cb 1.25 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1fdj h PRO 3009CO 0.60 0.32 -0.33 0.93 -0.21 0.00 0.00 178.00 179.31 1fdj h GLU 3010N 0.50 0.73 -0.42 1.05 3.07 -1.99 -0.53 114.58 116.98 1fdj h GLU 3010Ca 0.44 -0.40 -0.02 0.00 -0.50 0.00 0.00 59.36 58.89 1fdj h GLU 3010Cb 0.97 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.88 1fdj h GLU 3010CO -0.18 1.02 0.18 1.96 -1.40 0.00 0.00 179.01 180.59 1fdj h GLN 3011N 0.47 0.62 -0.35 2.33 4.20 -1.69 -1.71 115.11 118.99 1fdj h GLN 3011Ca 0.04 -0.10 0.02 0.00 0.06 0.00 0.00 58.65 58.67 1fdj h GLN 3011Cb 0.91 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.56 1fdj h GLN 3011CO 0.08 0.56 0.19 0.87 -0.67 0.00 0.00 178.83 179.86 1fdj h LYS 3012N 0.54 0.38 -0.38 1.46 1.57 -1.18 -2.29 116.57 116.66 1fdj h LYS 3012Ca 0.14 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.97 1fdj h LYS 3012Cb 0.16 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.32 1fdj h LYS 3012CO -0.01 0.25 -0.00 -0.22 -0.57 0.00 0.00 179.45 178.89 1fdj h LYS 3013N 0.39 0.10 -0.54 3.15 3.64 -0.77 -1.68 116.57 120.85 1fdj h LYS 3013Ca 0.14 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1fdj h LYS 3013Cb 0.03 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1fdj h LYS 3013CO -0.08 0.07 0.35 1.49 -2.27 0.00 0.00 179.45 179.00 1fdj h GLU 3014N 0.10 0.72 -0.40 1.90 4.81 -1.06 -1.92 114.58 118.73 1fdj h GLU 3014Ca 0.18 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1fdj h GLU 3014Cb 0.26 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1fdj h GLU 3014CO -0.31 0.49 0.13 -0.07 -0.73 0.00 0.00 179.01 178.52 1fdj h LEU 3015N 0.73 0.57 -0.87 1.64 3.38 -1.02 -2.10 115.31 117.64 1fdj h LEU 3015Ca 0.20 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1fdj h LEU 3015Cb -0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1fdj h LEU 3015CO -0.04 0.62 -0.53 0.77 0.09 0.00 0.00 178.44 179.34 1fdj h SER 3016N 0.50 0.09 -0.07 -0.43 4.64 -1.23 -0.99 113.55 116.06 1fdj h SER 3016Ca 0.13 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1fdj h SER 3016Cb 0.24 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1fdj h SER 3016CO -0.01 0.61 0.03 0.44 -0.87 0.00 0.00 176.83 177.03 1fdj h ASP 3017N 0.06 0.10 -0.03 4.97 3.45 -1.19 -1.26 116.42 122.52 1fdj h ASP 3017Ca -0.00 -0.16 -0.00 0.00 0.43 0.00 0.00 57.03 57.30 1fdj h ASP 3017Cb 0.97 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 39.71 1fdj h ASP 3017CO 0.07 0.23 0.01 0.40 -1.57 0.00 0.00 179.24 178.39 1fdj h ILE 3018N -0.04 1.12 -0.80 0.35 2.04 -1.22 -1.46 117.51 117.50 1fdj h ILE 3018Ca 0.02 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.56 1fdj h ILE 3018Cb 0.16 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 1fdj h ILE 3018CO -0.00 0.10 0.51 0.00 0.00 0.00 0.00 178.15 178.76 1fdj h ALA 3019N 0.87 1.04 -0.31 1.87 0.00 -1.17 -2.18 119.26 119.39 1fdj h ALA 3019Ca 0.01 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1fdj h ALA 3019Cb 0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1fdj h ALA 3019CO -0.00 0.35 -0.39 1.96 0.00 0.00 0.00 179.25 181.16 1fdj h GLN 3020N 1.01 0.75 -0.77 0.00 4.20 -1.17 -3.20 115.11 115.93 1fdj h GLN 3020Ca 0.31 -0.39 0.01 0.00 0.06 0.00 0.00 58.65 58.64 1fdj h GLN 3020Cb -0.01 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1fdj h GLN 3020CO -0.10 1.01 0.51 -0.09 -0.67 0.00 0.00 178.83 179.49 1fdj h ARG 3021N 0.62 1.00 -0.33 1.46 2.43 -0.82 -1.49 114.38 117.26 1fdj h ARG 3021Ca 0.05 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1fdj h ARG 3021Cb 0.94 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 1fdj h ARG 3021CO 0.09 0.66 0.14 0.82 -1.51 0.00 0.00 179.97 180.18 1fdj h ILE 3022N 1.03 1.17 -0.07 1.20 2.04 -1.40 -3.12 117.51 118.36 1fdj h ILE 3022Ca 0.29 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1fdj h ILE 3022Cb -0.11 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1fdj h ILE 3022CO -0.07 0.18 0.00 1.33 0.00 0.00 0.00 178.15 179.60 1fdj n VAL 3023N -4.73 0.08 -1.72 1.67 0.24 -1.21 -4.10 118.33 108.56 1fdj n VAL 3023Ca -0.01 -0.38 -0.40 0.00 -2.04 0.00 0.00 64.34 61.51 1fdj n VAL 3023Cb 0.12 0.80 0.03 0.00 -1.47 0.00 0.00 33.84 33.32 1fdj n VAL 3023CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fdj n ALA 3024N 0.64 1.47 -3.22 2.33 0.00 -0.56 -3.40 120.51 117.76 1fdj n ALA 3024Ca 0.17 0.18 -0.22 0.00 0.00 0.00 0.00 53.44 53.58 1fdj n ALA 3024Cb 0.44 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1fdj n ALA 3024CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1fdj n ASN 3025N -0.44 -4.01 0.00 0.00 4.13 -1.26 -1.18 115.26 112.50 1fdj n ASN 3025Ca 0.08 -0.31 0.00 0.00 1.68 0.00 0.00 54.58 56.03 1fdj n ASN 3025Cb 0.43 -3.32 0.00 0.00 -1.54 0.00 0.00 39.78 35.35 1fdj n ASN 3025CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1fdj n GLY 3026N -1.17 0.53 3.77 7.41 0.00 -1.22 -4.99 105.19 109.52 1fdj n GLY 3026Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 1fdj n GLY 3026CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fdj s LYS 3027N -0.03 4.30 0.00 1.61 1.02 -0.33 -4.63 119.74 121.68 1fdj s LYS 3027Ca 0.00 1.66 0.00 0.00 0.02 0.00 0.00 55.97 57.65 1fdj s LYS 3027Cb 0.00 -2.77 0.00 0.00 -0.52 0.00 0.00 37.83 34.54 1fdj s LYS 3027CO 0.00 -0.06 0.00 0.41 -0.92 0.00 0.00 175.35 174.78 1fdj n GLY 3028N 0.67 4.98 3.33 -3.33 0.00 -0.18 -4.28 105.19 106.38 1fdj n GLY 3028Ca 0.03 -2.12 -0.31 0.00 0.00 0.00 0.00 46.02 43.61 1fdj n GLY 3028CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fdj s ILE 3029N 0.21 2.19 -0.33 -0.61 1.01 0.55 -0.51 121.20 123.70 1fdj s ILE 3029Ca 0.00 -1.05 -0.12 0.00 0.00 0.00 0.00 60.65 59.48 1fdj s ILE 3029Cb 0.00 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 1fdj s ILE 3029CO 0.00 0.58 0.21 -0.22 0.00 0.00 0.00 174.94 175.51 1fdj s LEU 3030N -0.58 4.36 -0.69 2.97 2.96 -0.34 -2.65 118.68 124.71 1fdj s LEU 3030Ca 0.09 -0.43 -0.18 0.00 -0.22 0.00 0.00 54.13 53.39 1fdj s LEU 3030Cb -0.10 -2.09 0.13 0.00 0.50 0.00 0.00 46.19 44.62 1fdj s LEU 3030CO -0.00 -0.21 0.78 0.00 -1.32 0.00 0.00 176.35 175.60 1fdj s ALA 3031N 1.69 3.53 -0.51 5.97 0.00 -0.11 -0.84 121.76 131.50 1fdj s ALA 3031Ca 0.06 -2.52 0.04 0.00 0.00 0.00 0.00 51.96 49.53 1fdj s ALA 3031Cb -0.17 -3.61 0.42 0.00 0.00 0.00 0.00 23.12 19.76 1fdj s ALA 3031CO 0.09 -2.44 1.37 0.00 0.00 0.00 0.00 175.76 174.79 1fdj n ALA 3032N 5.92 5.43 -1.38 0.00 0.00 -0.48 -4.28 120.51 125.73 1fdj n ALA 3032Ca 0.00 -4.12 -0.15 0.00 0.00 0.00 0.00 53.44 49.17 1fdj n ALA 3032Cb 0.44 -0.87 0.18 0.00 0.00 0.00 0.00 19.45 19.21 1fdj n ALA 3032CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1fdj n ASP 3033N -0.57 3.33 -4.77 0.00 5.75 -1.04 -4.04 116.55 115.21 1fdj n ASP 3033Ca 0.45 -3.72 -0.40 0.00 -0.01 0.00 0.00 54.79 51.10 1fdj n ASP 3033Cb 0.64 -0.73 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 1fdj n ASP 3033CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1fdj s GLU 3034N -3.32 3.98 0.77 0.11 8.01 -1.26 -4.55 118.70 122.43 1fdj s GLU 3034Ca 0.51 2.41 -0.12 0.00 0.01 0.00 0.00 54.97 57.78 1fdj s GLU 3034Cb 0.44 -2.84 0.05 0.00 -4.31 0.00 0.00 34.13 27.47 1fdj s GLU 3034CO 0.04 -0.58 1.14 -1.54 0.01 0.00 0.00 175.26 174.34 1fdj s SER 3035N -0.40 4.90 0.25 -0.19 1.04 -1.26 -4.75 113.70 113.29 1fdj s SER 3035Ca 0.56 0.93 -0.03 0.00 0.48 0.00 0.00 55.95 57.89 1fdj s SER 3035Cb -0.43 -1.55 0.49 0.00 0.10 0.00 0.00 66.02 64.63 1fdj s SER 3035CO 0.57 -1.67 1.75 0.58 0.98 0.00 0.00 173.24 175.45 1fdj h VAL 3036N -0.89 0.70 0.12 5.02 2.07 -1.99 0.39 116.25 121.68 1fdj h VAL 3036Ca -0.46 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1fdj h VAL 3036Cb 1.30 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1fdj h VAL 3036CO 0.65 0.10 -0.06 1.23 0.02 0.00 0.00 177.57 179.51 1fdj h GLY 3037N 0.54 -0.17 0.88 2.17 0.00 -1.98 -1.06 103.07 103.44 1fdj h GLY 3037Ca 0.44 0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.85 1fdj h GLY 3037CO -0.38 -0.06 0.22 -0.84 0.00 0.00 0.00 176.54 175.48 1fdj h THR 3038N -0.32 1.03 -0.79 4.70 2.02 -1.65 -0.59 112.91 117.30 1fdj h THR 3038Ca -0.02 -0.16 0.06 0.00 0.77 0.00 0.00 66.41 67.07 1fdj h THR 3038Cb 0.26 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.16 1fdj h THR 3038CO 0.03 0.08 0.52 0.24 0.37 0.00 0.00 175.52 176.76 1fdj h MET 3039N 0.45 0.85 -0.01 6.66 2.86 -0.89 -1.22 114.93 123.64 1fdj h MET 3039Ca 0.16 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.78 1fdj h MET 3039Cb 0.02 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 31.45 1fdj h MET 3039CO -0.08 0.57 -0.19 0.78 1.06 0.00 0.00 176.91 179.04 1fdj h GLY 3040N 0.88 -0.26 0.75 8.32 0.00 0.23 0.31 103.07 113.30 1fdj h GLY 3040Ca 0.34 0.23 0.09 0.00 0.00 0.00 0.00 47.33 47.99 1fdj h GLY 3040CO -0.11 -0.18 0.58 3.43 0.00 0.00 0.00 176.54 180.25 1fdj h ASN 3041N -0.31 0.82 0.04 0.19 2.35 -0.46 0.71 115.58 118.92 1fdj h ASN 3041Ca 0.06 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1fdj h ASN 3041Cb 0.39 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1fdj h ASN 3041CO -0.19 0.49 -0.02 -0.09 -1.65 0.00 0.00 177.43 175.98 1fdj h ARG 3042N 0.92 -0.05 -0.64 0.81 9.65 -0.35 -3.11 114.38 121.62 1fdj h ARG 3042Ca 0.41 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 59.24 1fdj h ARG 3042Cb 0.36 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.92 1fdj h ARG 3042CO -0.17 0.49 0.20 -0.07 2.80 0.00 0.00 179.97 183.23 1fdj h LEU 3043N -0.62 0.90 -0.98 3.80 3.38 -0.10 -2.84 115.31 118.85 1fdj h LEU 3043Ca -0.00 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1fdj h LEU 3043Cb 0.56 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1fdj h LEU 3043CO 0.01 0.84 0.29 -0.61 0.09 0.00 0.00 178.44 179.06 1fdj h GLN 3044N 0.94 1.03 -0.03 1.13 4.15 -0.85 -1.27 115.11 120.20 1fdj h GLN 3044Ca 0.21 -0.17 0.01 0.00 0.77 0.00 0.00 58.65 59.47 1fdj h GLN 3044Cb 0.26 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 1fdj h GLN 3044CO -0.01 0.83 0.04 0.00 -1.93 0.00 0.00 178.83 177.76 1fdj h ARG 3045N 1.01 0.00 -0.54 1.69 2.47 -1.42 0.07 114.38 117.66 1fdj h ARG 3045Ca 0.24 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.96 1fdj h ARG 3045Cb 0.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 1fdj h ARG 3045CO -0.02 0.00 0.00 0.44 0.56 0.00 0.00 179.97 180.95 1fdj n ILE 3046N -3.65 1.79 -1.67 2.04 -5.35 -0.78 -4.94 119.36 106.79 1fdj n ILE 3046Ca -0.02 -1.28 -0.15 0.00 -0.27 0.00 0.00 62.75 61.03 1fdj n ILE 3046Cb 0.13 0.12 -0.05 0.00 -1.74 0.00 0.00 39.64 38.11 1fdj n ILE 3046CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1fdj n LYS 3047N 0.76 -1.08 -4.26 6.28 5.02 0.01 -4.78 118.16 120.11 1fdj n LYS 3047Ca 0.23 0.94 -0.35 0.00 -2.02 0.00 0.00 58.31 57.11 1fdj n LYS 3047Cb 0.82 -5.13 -0.09 0.00 -0.02 0.00 0.00 35.03 30.62 1fdj n LYS 3047CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1fdj s VAL 3048N -2.61 4.50 0.27 -0.18 1.01 -0.55 -5.01 120.40 117.84 1fdj s VAL 3048Ca 0.00 -0.27 -0.23 0.00 0.00 0.00 0.00 61.98 61.48 1fdj s VAL 3048Cb 0.00 -2.94 -0.09 0.00 0.00 0.00 0.00 36.38 33.35 1fdj s VAL 3048CO 0.00 0.54 0.83 -0.70 0.00 0.00 0.00 175.10 175.77 1fdj s GLU 3049N -1.13 4.43 -0.88 2.72 2.12 -1.26 -3.28 118.70 121.41 1fdj s GLU 3049Ca 0.16 1.11 -0.24 0.00 0.36 0.00 0.00 54.97 56.35 1fdj s GLU 3049Cb -0.12 -2.86 0.05 0.00 0.26 0.00 0.00 34.13 31.46 1fdj s GLU 3049CO 0.05 0.35 1.33 1.21 -0.54 0.00 0.00 175.26 177.66 1fdj s ASN 3050N -1.61 6.35 0.04 -1.70 2.47 -1.26 -4.79 114.94 114.44 1fdj s ASN 3050Ca 0.46 -1.06 0.04 0.00 0.42 0.00 0.00 52.86 52.72 1fdj s ASN 3050Cb -0.18 -2.55 -0.02 0.00 -1.45 0.00 0.00 41.25 37.05 1fdj s ASN 3050CO 0.23 -1.61 -0.12 -0.94 -3.72 0.00 0.00 177.10 170.94 1fdj s SER 3051N 4.32 1.40 0.42 -4.21 1.04 -1.26 -5.04 113.70 110.37 1fdj s SER 3051Ca 0.39 -0.47 0.24 0.00 0.48 0.00 0.00 55.95 56.59 1fdj s SER 3051Cb -0.05 -0.06 1.26 0.00 0.10 0.00 0.00 66.02 67.27 1fdj s SER 3051CO 0.01 -0.03 1.71 -0.08 0.98 0.00 0.00 173.24 175.83 1fdj h GLU 3052N 4.84 0.24 -0.00 4.02 4.81 -2.01 0.17 114.58 126.64 1fdj h GLU 3052Ca -0.37 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 58.68 1fdj h GLU 3052Cb 1.19 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 1fdj h GLU 3052CO 0.43 0.16 -0.78 1.49 -0.73 0.00 0.00 179.01 179.58 1fdj h GLU 3053N 0.25 0.06 0.00 1.92 4.22 -1.97 -2.10 114.58 116.97 1fdj h GLU 3053Ca 0.69 -0.06 -0.07 0.00 0.08 0.00 0.00 59.36 59.99 1fdj h GLU 3053Cb 1.98 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.24 1fdj h GLU 3053CO -0.34 0.81 -0.34 -0.91 -2.18 0.00 0.00 179.01 176.04 1fdj h ASN 3054N 0.04 0.00 0.03 1.04 4.21 -0.99 0.13 115.58 120.04 1fdj h ASN 3054Ca -0.02 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.49 1fdj h ASN 3054Cb 1.37 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.57 1fdj h ASN 3054CO 0.11 0.34 -0.01 0.03 -1.29 0.00 0.00 177.43 176.61 1fdj h ARG 3055N 0.00 -0.04 -0.61 0.81 3.08 -1.37 -2.85 114.38 113.39 1fdj h ARG 3055Ca -0.00 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.15 1fdj h ARG 3055Cb 0.78 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.80 1fdj h ARG 3055CO 0.04 0.66 0.41 -0.09 -1.07 0.00 0.00 179.97 179.93 1fdj h ARG 3056N -0.88 0.41 0.24 0.04 2.43 -1.25 -1.42 114.38 113.96 1fdj h ARG 3056Ca -0.00 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1fdj h ARG 3056Cb 0.72 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1fdj h ARG 3056CO 0.01 0.27 -0.12 1.96 -1.51 0.00 0.00 179.97 180.58 1fdj h GLN 3057N 0.43 -0.31 -0.86 0.20 4.20 -0.79 -1.07 115.11 116.90 1fdj h GLN 3057Ca 0.28 0.02 0.03 0.00 0.06 0.00 0.00 58.65 59.05 1fdj h GLN 3057Cb 0.55 0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.34 1fdj h GLN 3057CO -0.08 0.05 0.55 0.35 -0.67 0.00 0.00 178.83 179.03 1fdj h PHE 3058N -0.84 1.03 0.00 2.96 3.04 -1.32 -1.24 116.94 120.57 1fdj h PHE 3058Ca -0.03 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 1fdj h PHE 3058Cb 0.51 -0.34 -0.00 0.00 2.56 0.00 0.00 35.95 38.68 1fdj h PHE 3058CO 0.05 0.59 -0.05 0.00 -2.02 0.00 0.00 178.31 176.88 1fdj h ARG 3059N 1.06 0.00 -0.15 1.11 3.08 -1.31 -2.49 114.38 115.68 1fdj h ARG 3059Ca 0.34 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.31 1fdj h ARG 3059Cb 0.02 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1fdj h ARG 3059CO -0.12 0.05 -0.23 1.49 -1.07 0.00 0.00 179.97 180.09 1fdj h GLU 3060N 0.00 0.43 -0.97 0.04 4.81 -0.01 -1.90 114.58 116.98 1fdj h GLU 3060Ca -0.00 -0.26 0.07 0.00 -0.13 0.00 0.00 59.36 59.04 1fdj h GLU 3060Cb 0.56 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.90 1fdj h GLU 3060CO 0.01 0.84 0.63 0.82 -0.73 0.00 0.00 179.01 180.58 1fdj h ILE 3061N 0.04 1.07 -0.32 2.32 2.04 -0.99 -0.65 117.51 121.03 1fdj h ILE 3061Ca 0.01 -0.38 -0.12 0.00 1.00 0.00 0.00 64.86 65.37 1fdj h ILE 3061Cb 0.81 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1fdj h ILE 3061CO 0.05 0.20 -0.29 -0.07 0.00 0.00 0.00 178.15 178.05 1fdj h LEU 3062N 1.12 0.81 -0.07 1.44 3.38 -1.36 -3.21 115.31 117.41 1fdj h LEU 3062Ca 0.42 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1fdj h LEU 3062Cb 0.20 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1fdj h LEU 3062CO -0.17 1.10 0.00 -0.26 0.09 0.00 0.00 178.44 179.20 1fdj h PHE 3063N 0.53 0.00 -0.63 1.13 0.04 -0.83 -3.25 116.94 113.93 1fdj h PHE 3063Ca 0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1fdj h PHE 3063Cb 0.86 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.01 1fdj h PHE 3063CO 0.07 0.00 0.00 0.25 -0.60 0.00 0.00 178.31 178.03 1fdj n THR 3064N -2.42 2.20 -0.87 -1.55 -2.24 -0.30 -4.80 114.28 104.31 1fdj n THR 3064Ca 0.05 -1.29 -0.29 0.00 -2.27 0.00 0.00 64.05 60.25 1fdj n THR 3064Cb 0.43 -0.03 0.24 0.00 -2.10 0.00 0.00 70.33 68.87 1fdj n THR 3064CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1fdj s VAL 3065N -2.20 1.72 0.26 2.28 -7.23 -1.23 -4.92 120.40 109.08 1fdj s VAL 3065Ca 0.53 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.40 1fdj s VAL 3065Cb 0.36 -2.33 -0.14 0.00 0.56 0.00 0.00 36.38 34.84 1fdj s VAL 3065CO 0.22 0.00 1.10 -0.67 -0.31 0.00 0.00 175.10 175.44 1fdj n ASP 3066N -4.81 1.54 0.26 4.85 -0.08 -1.26 -4.84 116.55 112.21 1fdj n ASP 3066Ca 0.09 1.17 0.18 0.00 -1.51 0.00 0.00 54.79 54.71 1fdj n ASP 3066Cb 0.58 -1.30 0.89 0.00 2.34 0.00 0.00 41.12 43.64 1fdj n ASP 3066CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 1fdj h ASN 3067N 2.60 0.00 0.13 1.67 2.35 -1.98 -0.70 115.58 119.65 1fdj h ASN 3067Ca -0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 1fdj h ASN 3067Cb 1.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.70 1fdj h ASN 3067CO 0.65 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.89 1fdj n SER 3068N -3.37 0.05 0.29 5.81 3.41 -1.26 -1.96 113.62 116.58 1fdj n SER 3068Ca 0.00 0.52 0.14 0.00 -0.26 0.00 0.00 58.87 59.27 1fdj n SER 3068Cb 0.33 -0.53 0.86 0.00 -0.26 0.00 0.00 64.21 64.61 1fdj n SER 3068CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1fdj h ILE 3069N 0.00 0.59 0.00 -1.33 6.09 -1.46 -2.33 117.51 119.07 1fdj h ILE 3069Ca 0.00 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.42 1fdj h ILE 3069Cb 0.06 1.04 0.00 0.00 0.47 0.00 0.00 36.82 38.40 1fdj h ILE 3069CO 0.00 0.02 0.00 -0.46 -3.07 0.00 0.00 178.15 174.64 1fdj n ASN 3070N -3.91 0.09 -0.30 2.19 2.04 -0.83 -1.18 115.26 113.36 1fdj n ASN 3070Ca -0.03 -1.06 0.03 0.00 -0.44 0.00 0.00 54.58 53.08 1fdj n ASN 3070Cb 0.10 -0.05 0.04 0.00 -2.53 0.00 0.00 39.78 37.35 1fdj n ASN 3070CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1fdj n GLN 3071N -0.37 0.62 0.00 -3.83 6.02 -0.88 -4.67 117.38 114.27 1fdj n GLN 3071Ca 0.00 -1.12 0.00 0.00 -0.01 0.00 0.00 57.00 55.87 1fdj n GLN 3071Cb 0.02 -1.14 0.00 0.00 1.02 0.00 0.00 30.24 30.14 1fdj n GLN 3071CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1fdj n SER 3072N 0.33 2.20 -4.37 1.08 7.64 -0.33 -4.74 113.62 115.43 1fdj n SER 3072Ca 0.05 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.59 1fdj n SER 3072Cb 0.21 0.07 -0.14 0.00 -1.01 0.00 0.00 64.21 63.35 1fdj n SER 3072CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1fdj s ILE 3073N -1.51 3.38 -0.38 0.44 -1.09 -0.44 -1.01 121.20 120.57 1fdj s ILE 3073Ca 0.00 -0.52 0.14 0.00 -2.23 0.00 0.00 60.65 58.04 1fdj s ILE 3073Cb 0.00 -2.49 -0.18 0.00 -1.58 0.00 0.00 42.46 38.21 1fdj s ILE 3073CO 0.00 0.47 0.48 0.61 -1.23 0.00 0.00 174.94 175.27 1fdj n GLY 3074N 4.09 -0.48 3.36 6.18 0.00 0.33 -4.41 105.19 114.26 1fdj n GLY 3074Ca -0.18 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 1fdj n GLY 3074CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fdj s GLY 3075N -2.92 -0.37 -0.04 -0.02 0.00 -1.19 -1.91 107.32 100.87 1fdj s GLY 3075Ca 0.01 0.42 0.01 0.00 0.00 0.00 0.00 44.72 45.16 1fdj s GLY 3075CO 0.59 0.14 -0.03 0.14 0.00 0.00 0.00 173.10 173.94 1fdj s VAL 3076N -2.67 0.45 -0.17 1.40 1.01 0.22 -1.20 120.40 119.44 1fdj s VAL 3076Ca -0.04 -0.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.75 1fdj s VAL 3076Cb -0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 1fdj s VAL 3076CO -0.04 0.21 0.29 -0.63 0.00 0.00 0.00 175.10 174.94 1fdj s ILE 3077N 1.06 5.30 0.26 2.22 1.01 -0.02 0.56 121.20 131.60 1fdj s ILE 3077Ca -0.09 0.53 0.11 0.00 0.00 0.00 0.00 60.65 61.20 1fdj s ILE 3077Cb -0.14 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 1fdj s ILE 3077CO -0.01 0.37 -0.14 -0.76 0.00 0.00 0.00 174.94 174.40 1fdj s LEU 3078N 0.62 2.77 0.30 2.97 1.43 0.93 -1.39 118.68 126.32 1fdj s LEU 3078Ca 0.16 -0.88 -0.08 0.00 -1.03 0.00 0.00 54.13 52.30 1fdj s LEU 3078Cb -0.13 -1.32 -0.06 0.00 0.03 0.00 0.00 46.19 44.71 1fdj s LEU 3078CO 0.04 0.04 0.61 0.12 0.23 0.00 0.00 176.35 177.39 1fdj s PHE 3079N -2.33 3.46 0.34 0.29 5.99 -1.26 -2.26 117.98 122.20 1fdj s PHE 3079Ca 0.29 0.82 0.13 0.00 0.00 0.00 0.00 56.93 58.17 1fdj s PHE 3079Cb -0.06 -2.24 0.99 0.00 0.00 0.00 0.00 43.02 41.71 1fdj s PHE 3079CO 0.16 0.13 1.71 1.25 -0.00 0.00 0.00 175.22 178.46 1fdj h HIS 3080N 1.83 0.94 -0.47 10.12 -0.00 -1.94 -1.98 115.15 123.66 1fdj h HIS 3080Ca -0.47 0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 59.80 1fdj h HIS 3080Cb 1.18 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 28.32 1fdj h HIS 3080CO 0.59 -0.02 -0.24 1.05 -0.00 0.00 0.00 177.93 179.31 1fdj h GLU 3081N 0.46 0.99 0.00 5.26 4.11 -1.98 -3.21 114.58 120.21 1fdj h GLU 3081Ca 0.68 -0.44 -0.05 0.00 0.07 0.00 0.00 59.36 59.62 1fdj h GLU 3081Cb 1.44 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 1fdj h GLU 3081CO -0.50 1.11 -0.24 1.15 0.07 0.00 0.00 179.01 180.60 1fdj h THR 3082N 0.84 1.13 0.00 -1.06 2.02 -1.75 -2.03 112.91 112.06 1fdj h THR 3082Ca 0.10 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.46 1fdj h THR 3082Cb 0.82 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 1fdj h THR 3082CO 0.07 0.23 0.00 0.25 0.37 0.00 0.00 175.52 176.44 1fdj h LEU 3083N 0.00 0.00 -3.03 2.58 7.12 -1.54 -2.63 115.31 117.82 1fdj h LEU 3083Ca -0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1fdj h LEU 3083Cb 0.43 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.56 1fdj h LEU 3083CO 0.03 0.00 0.00 -1.22 -0.13 0.00 0.00 178.44 177.12 1fdj n TYR 3084N -2.79 0.35 -2.98 1.25 4.01 -0.77 -4.65 117.16 111.57 1fdj n TYR 3084Ca -0.00 -0.70 -0.18 0.00 -0.16 0.00 0.00 57.90 56.86 1fdj n TYR 3084Cb 0.20 -0.13 0.02 0.00 -0.31 0.00 0.00 39.34 39.12 1fdj n TYR 3084CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1fdj s GLN 3085N -1.84 2.70 0.06 -0.72 -0.21 -0.99 -5.00 119.66 113.65 1fdj s GLN 3085Ca 0.23 -1.28 -0.06 0.00 0.02 0.00 0.00 55.36 54.28 1fdj s GLN 3085Cb 0.17 -2.72 -0.01 0.00 1.00 0.00 0.00 33.01 31.46 1fdj s GLN 3085CO 0.07 -0.42 0.10 -1.59 -2.12 0.00 0.00 175.29 171.33 1fdj s LYS 3086N -4.45 0.70 0.90 2.91 -2.85 -1.26 -1.33 119.74 114.36 1fdj s LYS 3086Ca 0.57 -0.94 -0.15 0.00 -1.00 0.00 0.00 55.97 54.44 1fdj s LYS 3086Cb -0.09 0.27 0.21 0.00 -2.06 0.00 0.00 37.83 36.16 1fdj s LYS 3086CO 0.35 -0.19 1.02 -0.40 0.10 0.00 0.00 175.35 176.23 1fdj n ASP 3087N 0.28 -0.76 -0.14 0.03 5.75 -0.06 -4.80 116.55 116.85 1fdj n ASP 3087Ca -0.16 -1.25 0.13 0.00 -0.01 0.00 0.00 54.79 53.50 1fdj n ASP 3087Cb 0.61 -0.84 0.49 0.00 -1.03 0.00 0.00 41.12 40.34 1fdj n ASP 3087CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1fdj h SER 3088N -1.86 0.41 0.00 -1.12 0.02 -1.97 0.11 113.55 109.13 1fdj h SER 3088Ca -0.35 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1fdj h SER 3088Cb 1.01 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1fdj h SER 3088CO 0.24 0.23 0.00 0.00 -1.14 0.00 0.00 176.83 176.16 1fdj n GLN 3089N -4.48 0.91 -2.23 3.45 6.02 -1.26 -4.88 117.38 114.92 1fdj n GLN 3089Ca 0.13 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 57.06 1fdj n GLN 3089Cb 0.45 -1.32 0.00 0.00 1.02 0.00 0.00 30.24 30.40 1fdj n GLN 3089CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1fdj n GLY 3090N 0.67 0.22 3.45 1.08 0.00 0.37 -5.04 105.19 105.94 1fdj n GLY 3090Ca 0.14 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 1fdj n GLY 3090CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fdj s LYS 3091N -4.46 3.40 0.07 1.61 2.20 -1.25 -4.85 119.74 116.46 1fdj s LYS 3091Ca 0.03 -0.60 -0.34 0.00 -0.36 0.00 0.00 55.97 54.70 1fdj s LYS 3091Cb -0.01 -2.73 -0.13 0.00 -1.51 0.00 0.00 37.83 33.44 1fdj s LYS 3091CO 0.03 0.29 1.70 1.28 -0.36 0.00 0.00 175.35 178.29 1fdj n LEU 3092N 3.33 3.24 -0.27 5.43 4.77 -1.26 -0.88 117.00 131.36 1fdj n LEU 3092Ca -0.18 1.04 0.08 0.00 -0.03 0.00 0.00 56.01 56.92 1fdj n LEU 3092Cb 0.53 -1.41 0.22 0.00 -2.33 0.00 0.00 43.42 40.43 1fdj n LEU 3092CO 0.31 -0.19 1.00 -0.26 -1.33 0.00 0.00 177.39 176.92 1fdj h PHE 3093N 7.21 0.49 0.00 -1.77 0.04 -1.49 -0.41 116.94 121.01 1fdj h PHE 3093Ca -0.46 0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.34 1fdj h PHE 3093Cb 1.26 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 39.31 1fdj h PHE 3093CO 0.72 -0.01 -0.05 0.07 -0.60 0.00 0.00 178.31 178.44 1fdj h ARG 3094N 0.39 0.00 0.00 1.51 0.11 -1.82 -1.68 114.38 112.89 1fdj h ARG 3094Ca 0.46 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.43 1fdj h ARG 3094Cb 0.79 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.85 1fdj h ARG 3094CO -0.47 0.05 -1.14 -0.91 0.10 0.00 0.00 179.97 177.59 1fdj h ASN 3095N 0.00 0.00 0.03 0.08 2.35 -1.46 -2.83 115.58 113.76 1fdj h ASN 3095Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1fdj h ASN 3095Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1fdj h ASN 3095CO 0.01 0.41 -0.02 0.40 -1.65 0.00 0.00 177.43 176.58 1fdj h ILE 3096N 0.00 1.31 -0.34 2.81 2.04 -0.91 -2.60 117.51 119.81 1fdj h ILE 3096Ca -0.10 -1.12 0.01 0.00 1.00 0.00 0.00 64.86 64.65 1fdj h ILE 3096Cb 1.39 2.04 -0.02 0.00 -0.74 0.00 0.00 36.82 39.50 1fdj h ILE 3096CO 0.04 0.28 0.22 -0.07 0.00 0.00 0.00 178.15 178.62 1fdj h LEU 3097N -0.54 0.37 -0.77 1.44 3.38 -1.45 -2.79 115.31 114.96 1fdj h LEU 3097Ca -0.00 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1fdj h LEU 3097Cb 0.50 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 1fdj h LEU 3097CO 0.01 0.27 0.48 0.50 0.09 0.00 0.00 178.44 179.79 1fdj h LYS 3098N 0.45 0.89 -0.47 1.13 3.64 -1.56 -0.81 116.57 119.84 1fdj h LYS 3098Ca 0.13 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1fdj h LYS 3098Cb -0.04 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.56 1fdj h LYS 3098CO -0.04 0.59 0.29 1.49 -2.27 0.00 0.00 179.45 179.51 1fdj h GLU 3099N 0.92 0.63 -0.01 1.90 4.22 -1.19 0.13 114.58 121.17 1fdj h GLU 3099Ca 0.32 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.72 1fdj h GLU 3099Cb 0.08 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1fdj h GLU 3099CO -0.14 0.44 0.00 1.63 -2.18 0.00 0.00 179.01 178.76 1fdj n LYS 3100N -4.44 1.20 -1.83 1.92 5.02 -0.84 -4.90 118.16 114.29 1fdj n LYS 3100Ca 0.04 -0.30 -0.02 0.00 -2.02 0.00 0.00 58.31 56.01 1fdj n LYS 3100Cb 0.07 -1.46 -0.00 0.00 -0.02 0.00 0.00 35.03 33.62 1fdj n LYS 3100CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fdj n GLY 3101N 1.02 0.34 3.58 0.72 0.00 0.46 -4.70 105.19 106.61 1fdj n GLY 3101Ca 0.21 -0.86 -0.36 0.00 0.00 0.00 0.00 46.02 45.02 1fdj n GLY 3101CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fdj s ILE 3102N -2.08 4.84 0.16 -0.61 1.01 -0.37 -4.95 121.20 119.19 1fdj s ILE 3102Ca 0.00 -0.00 -0.30 0.00 0.00 0.00 0.00 60.65 60.35 1fdj s ILE 3102Cb 0.00 -3.23 -0.07 0.00 0.01 0.00 0.00 42.46 39.17 1fdj s ILE 3102CO 0.00 0.38 1.05 -0.69 0.00 0.00 0.00 174.94 175.68 1fdj s VAL 3103N 1.03 4.07 -0.06 2.92 1.01 -0.80 -3.64 120.40 124.93 1fdj s VAL 3103Ca 0.05 1.77 -0.04 0.00 0.00 0.00 0.00 61.98 63.77 1fdj s VAL 3103Cb -0.14 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1fdj s VAL 3103CO 0.04 0.30 0.12 0.68 0.00 0.00 0.00 175.10 176.23 1fdj s VAL 3104N -0.18 5.17 0.27 2.92 -7.23 -1.26 -0.61 120.40 119.48 1fdj s VAL 3104Ca 0.48 -0.09 0.06 0.00 -1.81 0.00 0.00 61.98 60.62 1fdj s VAL 3104Cb -0.27 -3.32 -0.06 0.00 0.56 0.00 0.00 36.38 33.29 1fdj s VAL 3104CO 0.33 0.47 -0.04 -0.83 -0.31 0.00 0.00 175.10 174.73 1fdj s GLY 3105N -1.43 1.76 0.00 2.32 0.00 0.19 -2.27 107.32 107.89 1fdj s GLY 3105Ca 0.20 -1.87 0.03 0.00 0.00 0.00 0.00 44.72 43.08 1fdj s GLY 3105CO 0.10 -1.79 -0.09 -1.50 0.00 0.00 0.00 173.10 169.82 1fdj s ILE 3106N -3.14 0.71 0.16 0.90 1.10 -0.36 -0.05 121.20 120.53 1fdj s ILE 3106Ca 0.29 -0.50 -0.30 0.00 -0.51 0.00 0.00 60.65 59.63 1fdj s ILE 3106Cb 0.05 -0.62 -0.07 0.00 0.15 0.00 0.00 42.46 41.96 1fdj s ILE 3106CO 0.11 0.12 1.17 -0.75 -2.11 0.00 0.00 174.94 173.48 1fdj s LYS 3107N -0.43 4.51 -0.00 3.50 2.20 -0.96 -1.24 119.74 127.32 1fdj s LYS 3107Ca 0.02 1.81 0.01 0.00 -0.36 0.00 0.00 55.97 57.45 1fdj s LYS 3107Cb -0.04 -3.27 -0.01 0.00 -1.51 0.00 0.00 37.83 32.99 1fdj s LYS 3107CO -0.00 -0.07 0.04 1.28 -0.36 0.00 0.00 175.35 176.23 1fdj n LEU 3108N 2.72 0.03 -4.73 5.43 4.77 -0.26 -4.84 117.00 120.13 1fdj n LEU 3108Ca 0.05 -0.35 -0.41 0.00 -0.03 0.00 0.00 56.01 55.27 1fdj n LEU 3108Cb 0.45 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.50 1fdj n LEU 3108CO 0.55 0.01 0.67 1.51 -1.33 0.00 0.00 177.39 178.80 1fdj s ASP 3109N -1.41 7.49 -0.60 -1.43 -4.77 -1.23 -4.75 116.67 109.98 1fdj s ASP 3109Ca 0.00 1.82 -0.02 0.00 -3.30 0.00 0.00 52.55 51.05 1fdj s ASP 3109Cb 0.01 -2.59 0.39 0.00 -1.09 0.00 0.00 42.92 39.64 1fdj s ASP 3109CO 0.04 -0.07 2.05 0.00 0.70 0.00 0.00 175.17 177.89 1fdj n GLN 3110N 2.72 2.50 -0.39 2.11 6.02 0.11 -4.98 117.38 125.48 1fdj n GLN 3110Ca 0.02 -2.92 0.05 0.00 -0.01 0.00 0.00 57.00 54.14 1fdj n GLN 3110Cb 0.49 -2.14 -0.02 0.00 1.02 0.00 0.00 30.24 29.59 1fdj n GLN 3110CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1fdj n GLY 3111N -0.60 -2.04 3.89 1.08 0.00 -1.26 -4.53 105.19 101.73 1fdj n GLY 3111Ca 0.55 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 1fdj n GLY 3111CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fdj s GLY 3112N -5.32 1.62 -0.05 -0.02 0.00 -1.26 -0.95 107.32 101.34 1fdj s GLY 3112Ca 0.00 -0.49 -0.05 0.00 0.00 0.00 0.00 44.72 44.18 1fdj s GLY 3112CO 0.00 -0.11 0.14 0.00 0.00 0.00 0.00 173.10 173.13 1fdj s ALA 3113N -3.34 -0.34 0.30 3.20 0.00 0.40 -4.82 121.76 117.17 1fdj s ALA 3113Ca 0.58 0.39 -0.29 0.00 0.00 0.00 0.00 51.96 52.65 1fdj s ALA 3113Cb -0.11 -0.23 -0.09 0.00 0.00 0.00 0.00 23.12 22.69 1fdj s ALA 3113CO 0.50 -0.07 1.10 -1.25 0.00 0.00 0.00 175.76 176.04 1fdj s PRO 3114N 0.09 4.56 -0.27 0.00 0.04 -1.26 -0.61 135.00 137.55 1fdj s PRO 3114Ca -0.00 1.79 -0.13 0.00 0.04 0.00 0.00 61.00 62.69 1fdj s PRO 3114Cb -0.01 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.39 1fdj s PRO 3114CO 0.00 0.14 0.31 -0.51 0.04 0.00 0.00 177.00 176.98 1fdj s LEU 3115N -1.62 4.05 0.17 -3.56 1.43 -0.72 -4.85 118.68 113.58 1fdj s LEU 3115Ca 0.46 0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 53.47 1fdj s LEU 3115Cb -0.31 -2.32 -0.08 0.00 0.03 0.00 0.00 46.19 43.51 1fdj s LEU 3115CO 0.40 -0.12 1.16 0.00 0.23 0.00 0.00 176.35 178.02 1fdj s ALA 3116N 1.86 3.41 0.00 4.21 0.00 -1.26 -3.60 121.76 126.37 1fdj s ALA 3116Ca 0.12 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.97 1fdj s ALA 3116Cb -0.16 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1fdj s ALA 3116CO 0.10 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1fdj n GLY 3117N 2.19 0.80 3.47 0.00 0.00 -1.26 -5.08 105.19 105.31 1fdj n GLY 3117Ca 0.04 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 1fdj n GLY 3117CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fdj s THR 3118N -2.00 0.81 -0.99 2.61 -4.23 -1.24 -5.08 115.64 105.52 1fdj s THR 3118Ca 0.00 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.36 1fdj s THR 3118Cb 0.00 -2.54 0.18 0.00 1.34 0.00 0.00 72.50 71.47 1fdj s THR 3118CO 0.00 0.00 1.11 0.21 -0.54 0.00 0.00 174.62 175.40 1fdj s ASN 3119N -3.53 6.84 -1.34 3.99 2.47 -1.26 -4.59 114.94 117.52 1fdj s ASN 3119Ca 0.30 -2.58 -0.02 0.00 0.42 0.00 0.00 52.86 50.97 1fdj s ASN 3119Cb 0.05 -2.34 0.01 0.00 -1.45 0.00 0.00 41.25 37.53 1fdj s ASN 3119CO 0.15 -0.79 0.17 0.29 -3.72 0.00 0.00 177.10 173.20 1fdj n LYS 3120N 5.32 -2.71 -3.13 0.43 5.02 -1.26 -4.94 118.16 116.89 1fdj n LYS 3120Ca 0.25 0.72 -0.26 0.00 -2.02 0.00 0.00 58.31 57.00 1fdj n LYS 3120Cb 0.46 -5.40 -0.01 0.00 -0.02 0.00 0.00 35.03 30.06 1fdj n LYS 3120CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1fdj s GLU 3121N -5.30 3.53 0.22 1.97 2.02 -1.26 -5.01 118.70 114.86 1fdj s GLU 3121Ca 0.11 -0.11 -0.00 0.00 0.02 0.00 0.00 54.97 54.99 1fdj s GLU 3121Cb -0.05 -2.57 -0.04 0.00 0.10 0.00 0.00 34.13 31.56 1fdj s GLU 3121CO 0.14 0.04 0.11 0.95 0.02 0.00 0.00 175.26 176.52 1fdj s THR 3122N -2.42 0.21 0.37 3.63 -4.23 -1.26 -1.75 115.64 110.20 1fdj s THR 3122Ca 0.43 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.98 1fdj s THR 3122Cb -0.10 -2.52 -0.05 0.00 1.34 0.00 0.00 72.50 71.18 1fdj s THR 3122CO 0.38 -0.03 0.08 0.28 -0.54 0.00 0.00 174.62 174.78 1fdj s THR 3123N -4.00 1.01 0.02 3.99 -1.32 0.22 -4.86 115.64 110.70 1fdj s THR 3123Ca 0.38 -2.00 0.08 0.00 -1.21 0.00 0.00 61.69 58.93 1fdj s THR 3123Cb 0.07 -2.59 -0.03 0.00 -1.51 0.00 0.00 72.50 68.44 1fdj s THR 3123CO 0.12 0.00 -0.22 -0.63 -2.21 0.00 0.00 174.62 171.68 1fdj s ILE 3124N -3.21 2.44 0.31 5.08 -1.09 -1.26 -0.45 121.20 123.02 1fdj s ILE 3124Ca 0.29 -1.21 0.04 0.00 -2.23 0.00 0.00 60.65 57.54 1fdj s ILE 3124Cb 0.06 -1.96 -0.02 0.00 -1.58 0.00 0.00 42.46 38.95 1fdj s ILE 3124CO 0.14 0.41 0.46 -1.10 -1.23 0.00 0.00 174.94 173.63 1fdj s GLN 3125N -1.16 3.31 0.00 2.79 -0.21 -0.13 -4.84 119.66 119.42 1fdj s GLN 3125Ca 0.12 -0.73 0.00 0.00 0.02 0.00 0.00 55.36 54.78 1fdj s GLN 3125Cb -0.10 -2.79 0.00 0.00 1.00 0.00 0.00 33.01 31.12 1fdj s GLN 3125CO 0.03 0.19 0.00 0.41 -2.12 0.00 0.00 175.29 173.79 1fdj n GLY 3126N -1.62 0.64 0.30 3.09 0.00 -1.26 0.09 105.19 106.42 1fdj n GLY 3126Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 1fdj n GLY 3126CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1fdj h LEU 3127N 0.00 0.70 -9.33 0.99 3.38 -1.90 -3.36 115.31 105.79 1fdj h LEU 3127Ca 0.00 -0.12 -0.54 0.00 0.09 0.00 0.00 57.88 57.31 1fdj h LEU 3127Cb 0.00 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.57 1fdj h LEU 3127CO 0.00 0.70 1.11 -1.81 0.09 0.00 0.00 178.44 178.53 1fdj s ASP 3128N -6.61 6.59 0.00 -0.43 1.01 -1.26 -2.12 116.67 113.85 1fdj s ASP 3128Ca -0.09 2.42 0.00 0.00 0.71 0.00 0.00 52.55 55.58 1fdj s ASP 3128Cb 0.16 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.55 1fdj s ASP 3128CO 0.79 -0.96 0.00 0.61 0.21 0.00 0.00 175.17 175.82 1fdj n GLY 3129N 4.23 0.41 0.37 0.21 0.00 -1.26 -4.87 105.19 104.27 1fdj n GLY 3129Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.26 1fdj n GLY 3129CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1fdj h LEU 3130N 0.00 0.89 -0.77 0.99 6.46 -1.58 -1.40 115.31 119.90 1fdj h LEU 3130Ca 0.00 0.03 0.06 0.00 -0.12 0.00 0.00 57.88 57.85 1fdj h LEU 3130Cb 0.23 -0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 39.95 1fdj h LEU 3130CO 0.00 0.52 0.46 -1.28 -0.62 0.00 0.00 178.44 177.51 1fdj h SER 3131N 0.98 0.70 -0.14 1.25 0.87 -1.90 0.03 113.55 115.34 1fdj h SER 3131Ca 0.45 0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.88 1fdj h SER 3131Cb 0.39 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 62.24 1fdj h SER 3131CO -0.21 0.45 -0.51 -0.33 -0.53 0.00 0.00 176.83 175.70 1fdj h GLU 3132N 0.83 0.59 -0.81 2.24 3.07 -1.70 -2.37 114.58 116.43 1fdj h GLU 3132Ca 0.34 -0.45 0.04 0.00 -0.50 0.00 0.00 59.36 58.79 1fdj h GLU 3132Cb 0.19 0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 28.13 1fdj h GLU 3132CO -0.18 1.07 0.52 0.00 -1.40 0.00 0.00 179.01 179.02 1fdj h ARG 3133N 0.23 0.97 0.05 2.33 3.08 -0.95 -1.36 114.38 118.74 1fdj h ARG 3133Ca -0.02 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1fdj h ARG 3133Cb 1.14 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.97 1fdj h ARG 3133CO 0.11 0.64 -0.03 0.00 -1.07 0.00 0.00 179.97 179.63 1fdj h ALA 3135N 0.72 1.30 0.08 0.00 0.00 -1.15 0.30 119.26 120.51 1fdj h ALA 3135Ca -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fdj h ALA 3135Cb 0.20 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1fdj h ALA 3135CO 0.01 0.21 -0.04 0.37 0.00 0.00 0.00 179.25 179.81 1fdj h GLN 3136N 0.93 -0.10 -0.80 0.00 5.75 -1.11 -2.62 115.11 117.16 1fdj h GLN 3136Ca 0.43 0.01 0.11 0.00 -0.15 0.00 0.00 58.65 59.05 1fdj h GLN 3136Cb 0.34 0.02 -0.08 0.00 1.07 0.00 0.00 27.48 28.83 1fdj h GLN 3136CO -0.23 0.27 0.43 1.88 -2.65 0.00 0.00 178.83 178.53 1fdj h TYR 3137N -0.49 0.76 -0.40 3.99 0.05 -0.36 -0.74 116.97 119.79 1fdj h TYR 3137Ca -0.01 0.03 0.07 0.00 0.05 0.00 0.00 58.73 58.87 1fdj h TYR 3137Cb 0.42 -0.22 -0.06 0.00 1.01 0.00 0.00 36.73 37.88 1fdj h TYR 3137CO 0.05 0.25 0.02 -0.22 -1.05 0.00 0.00 178.16 177.21 1fdj h LYS 3138N 0.68 0.13 0.00 4.88 1.63 -0.34 0.91 116.57 124.45 1fdj h LYS 3138Ca 0.41 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.18 1fdj h LYS 3138Cb 0.48 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.07 1fdj h LYS 3138CO -0.30 0.08 -0.11 0.87 -3.45 0.00 0.00 179.45 176.54 1fdj h LYS 3139N 0.13 0.00 -0.83 1.90 1.57 -0.79 -1.96 116.57 116.59 1fdj h LYS 3139Ca 0.20 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1fdj h LYS 3139Cb 0.27 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1fdj h LYS 3139CO -0.31 0.11 0.05 -0.25 -0.57 0.00 0.00 179.45 178.48 1fdj n ASP 3140N -4.11 3.29 0.00 0.86 9.92 0.22 -4.87 116.55 121.86 1fdj n ASP 3140Ca -0.02 -2.50 0.00 0.00 -0.53 0.00 0.00 54.79 51.74 1fdj n ASP 3140Cb 0.19 -0.60 0.00 0.00 -0.64 0.00 0.00 41.12 40.07 1fdj n ASP 3140CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1fdj n GLY 3141N 0.21 0.74 3.73 0.44 0.00 -0.74 -5.02 105.19 104.55 1fdj n GLY 3141Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1fdj n GLY 3141CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fdj s VAL 3142N -2.57 4.96 -0.07 1.61 1.01 -0.63 -4.57 120.40 120.14 1fdj s VAL 3142Ca 0.00 1.50 0.10 0.00 0.00 0.00 0.00 61.98 63.58 1fdj s VAL 3142Cb 0.00 -4.06 -0.15 0.00 0.00 0.00 0.00 36.38 32.17 1fdj s VAL 3142CO 0.00 0.28 0.24 0.47 0.00 0.00 0.00 175.10 176.09 1fdj n ASP 3143N 3.51 2.44 -4.04 3.32 10.43 -0.96 -4.05 116.55 127.20 1fdj n ASP 3143Ca -0.01 -0.10 -0.07 0.00 2.57 0.00 0.00 54.79 57.17 1fdj n ASP 3143Cb 0.51 1.39 -0.09 0.00 1.84 0.00 0.00 41.12 44.77 1fdj n ASP 3143CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 1fdj s PHE 3144N -2.58 0.43 0.37 1.24 -0.12 -1.23 -1.26 117.98 114.84 1fdj s PHE 3144Ca -0.03 -0.95 0.06 0.00 -0.05 0.00 0.00 56.93 55.96 1fdj s PHE 3144Cb 0.06 -0.31 -0.07 0.00 -0.63 0.00 0.00 43.02 42.07 1fdj s PHE 3144CO 0.41 -0.42 0.02 0.20 -0.05 0.00 0.00 175.22 175.39 1fdj s GLY 3145N -2.90 2.30 -0.00 1.99 0.00 -0.57 -1.22 107.32 106.92 1fdj s GLY 3145Ca 0.06 -2.19 0.01 0.00 0.00 0.00 0.00 44.72 42.60 1fdj s GLY 3145CO -0.10 -1.97 -0.02 1.25 0.00 0.00 0.00 173.10 172.25 1fdj s LYS 3146N -3.78 0.18 -0.16 2.90 2.20 -0.38 -1.25 119.74 119.45 1fdj s LYS 3146Ca 0.35 -0.10 -0.04 0.00 -0.36 0.00 0.00 55.97 55.82 1fdj s LYS 3146Cb 0.09 -0.16 0.08 0.00 -1.51 0.00 0.00 37.83 36.33 1fdj s LYS 3146CO 0.17 0.04 0.19 -0.46 -0.36 0.00 0.00 175.35 174.93 1fdj s TRP 3147N -0.11 -0.20 -0.22 4.03 -0.11 -1.18 -1.10 118.94 120.05 1fdj s TRP 3147Ca 0.00 0.29 -0.15 0.00 1.22 0.00 0.00 56.10 57.47 1fdj s TRP 3147Cb -0.01 -0.36 -0.04 0.00 -1.50 0.00 0.00 33.47 31.56 1fdj s TRP 3147CO -0.00 -0.49 0.34 0.50 -4.62 0.00 0.00 176.95 172.68 1fdj s ARG 3148N 2.30 4.13 -0.09 5.86 3.52 -1.26 -2.49 118.95 130.92 1fdj s ARG 3148Ca 0.05 0.08 0.02 0.00 -0.13 0.00 0.00 55.73 55.75 1fdj s ARG 3148Cb -0.15 -3.55 -0.02 0.00 -1.56 0.00 0.00 34.95 29.67 1fdj s ARG 3148CO -0.10 -0.04 -0.13 0.00 -0.81 0.00 0.00 175.30 174.22 1fdj s ALA 3149N 1.33 2.69 -0.19 6.12 0.00 -0.08 -4.94 121.76 126.70 1fdj s ALA 3149Ca 0.16 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 51.17 1fdj s ALA 3149Cb -0.15 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 21.84 1fdj s ALA 3149CO 0.07 0.42 -0.06 0.08 0.00 0.00 0.00 175.76 176.27 1fdj s VAL 3150N -0.26 3.39 -0.01 0.00 1.01 -1.26 -1.06 120.40 122.22 1fdj s VAL 3150Ca 0.02 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.55 1fdj s VAL 3150Cb -0.13 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1fdj s VAL 3150CO 0.03 0.46 -0.19 -0.76 0.00 0.00 0.00 175.10 174.63 1fdj s LEU 3151N 1.00 2.05 0.16 3.92 1.43 0.17 -4.63 118.68 122.77 1fdj s LEU 3151Ca -0.00 -0.36 0.08 0.00 -1.03 0.00 0.00 54.13 52.82 1fdj s LEU 3151Cb -0.15 -0.99 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 1fdj s LEU 3151CO 0.00 0.23 -0.18 0.00 0.23 0.00 0.00 176.35 176.63 1fdj s ARG 3152N -0.51 1.25 -0.37 1.70 1.70 -1.26 -1.33 118.95 120.13 1fdj s ARG 3152Ca 0.07 -1.39 -0.11 0.00 -0.47 0.00 0.00 55.73 53.83 1fdj s ARG 3152Cb -0.08 -1.30 0.02 0.00 -0.57 0.00 0.00 34.95 33.02 1fdj s ARG 3152CO -0.01 0.26 0.20 0.42 -1.08 0.00 0.00 175.30 175.10 1fdj s ILE 3153N -2.03 4.61 0.16 4.99 1.01 -1.26 -2.52 121.20 126.16 1fdj s ILE 3153Ca 0.15 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 59.93 1fdj s ILE 3153Cb -0.06 -3.55 0.03 0.00 0.01 0.00 0.00 42.46 38.90 1fdj s ILE 3153CO 0.06 -0.20 0.39 0.00 0.00 0.00 0.00 174.94 175.19 1fdj n ALA 3154N 5.00 -0.91 -1.63 9.38 0.00 -0.97 -4.79 120.51 126.59 1fdj n ALA 3154Ca -0.12 -0.56 -0.44 0.00 0.00 0.00 0.00 53.44 52.32 1fdj n ALA 3154Cb 0.46 0.42 -0.04 0.00 0.00 0.00 0.00 19.45 20.30 1fdj n ALA 3154CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1fdj n ASP 3155N -1.17 3.67 -0.51 0.00 -0.08 -1.26 -0.60 116.55 116.59 1fdj n ASP 3155Ca -0.03 0.67 -0.07 0.00 -1.51 0.00 0.00 54.79 53.85 1fdj n ASP 3155Cb 0.27 -1.50 -0.03 0.00 2.34 0.00 0.00 41.12 42.21 1fdj n ASP 3155CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1fdj n GLN 3156N 7.81 -0.68 -4.49 -0.67 1.13 -1.26 -4.77 117.38 114.45 1fdj n GLN 3156Ca 0.25 0.66 -0.21 0.00 -1.94 0.00 0.00 57.00 55.77 1fdj n GLN 3156Cb 0.39 -4.48 -0.15 0.00 0.11 0.00 0.00 30.24 26.11 1fdj n GLN 3156CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1fdj s PRO 3158N -0.15 4.57 0.69 0.00 0.02 -1.05 -2.30 135.00 136.78 1fdj s PRO 3158Ca 0.02 1.18 -0.11 0.00 0.02 0.00 0.00 61.00 62.12 1fdj s PRO 3158Cb -0.06 -3.34 0.02 0.00 0.02 0.00 0.00 34.50 31.14 1fdj s PRO 3158CO -0.00 0.33 1.07 -1.54 -0.33 0.00 0.00 177.00 176.53 1fdj s SER 3159N -0.29 5.45 0.31 2.53 1.04 -1.20 -4.93 113.70 116.60 1fdj s SER 3159Ca 0.40 1.06 0.07 0.00 0.48 0.00 0.00 55.95 57.96 1fdj s SER 3159Cb -0.22 -1.88 0.51 0.00 0.10 0.00 0.00 66.02 64.53 1fdj s SER 3159CO 0.25 -1.31 1.74 0.77 0.98 0.00 0.00 173.24 175.67 1fdj h SER 3160N -0.59 0.27 -0.20 7.02 4.64 -1.99 -2.52 113.55 120.17 1fdj h SER 3160Ca -0.45 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 1fdj h SER 3160Cb 1.26 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1fdj h SER 3160CO 0.63 0.60 0.13 0.25 -0.87 0.00 0.00 176.83 177.57 1fdj h LEU 3161N 0.23 0.24 -0.38 5.97 5.85 -1.98 0.91 115.31 126.13 1fdj h LEU 3161Ca 0.03 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1fdj h LEU 3161Cb 0.72 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1fdj h LEU 3161CO 0.05 0.19 0.25 0.00 -0.34 0.00 0.00 178.44 178.59 1fdj h ALA 3162N 1.06 0.49 -0.55 1.25 0.00 -1.88 0.33 119.26 119.95 1fdj h ALA 3162Ca 0.07 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1fdj h ALA 3162Cb -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1fdj h ALA 3162CO -0.01 -0.07 -0.05 0.82 0.00 0.00 0.00 179.25 179.94 1fdj h ILE 3163N 0.51 1.27 0.04 0.00 2.04 -1.29 -1.89 117.51 118.19 1fdj h ILE 3163Ca 0.14 -1.19 -0.00 0.00 1.00 0.00 0.00 64.86 64.81 1fdj h ILE 3163Cb -0.05 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1fdj h ILE 3163CO -0.04 0.42 -0.02 -0.61 0.00 0.00 0.00 178.15 177.91 1fdj h GLN 3164N 0.89 -0.05 -0.42 2.37 4.15 -0.59 -2.39 115.11 119.06 1fdj h GLN 3164Ca 0.15 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.54 1fdj h GLN 3164Cb 0.61 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.29 1fdj h GLN 3164CO 0.04 0.26 0.12 0.93 -1.93 0.00 0.00 178.83 178.25 1fdj h GLU 3165N -0.37 0.66 -0.47 1.69 4.39 -0.96 -1.86 114.58 117.66 1fdj h GLU 3165Ca -0.01 -0.15 -0.10 0.00 0.34 0.00 0.00 59.36 59.44 1fdj h GLU 3165Cb 0.34 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1fdj h GLU 3165CO 0.01 0.67 -0.11 -0.91 -1.16 0.00 0.00 179.01 177.51 1fdj h ASN 3166N 0.54 0.85 -0.17 1.42 2.35 -1.41 -0.95 115.58 118.20 1fdj h ASN 3166Ca 0.13 -0.26 -0.18 0.00 -0.55 0.00 0.00 56.30 55.45 1fdj h ASN 3166Cb 0.29 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.43 1fdj h ASN 3166CO -0.00 0.98 -0.54 0.00 -1.65 0.00 0.00 177.43 176.22 1fdj h ALA 3167N 1.10 0.56 0.00 -0.83 0.00 -1.40 -1.05 119.26 117.64 1fdj h ALA 3167Ca 0.13 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 1fdj h ALA 3167Cb 0.62 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1fdj h ALA 3167CO 0.04 0.68 -0.54 -0.91 0.00 0.00 0.00 179.25 178.53 1fdj h ASN 3168N 0.59 0.00 0.43 0.00 2.35 -1.22 -1.00 115.58 116.72 1fdj h ASN 3168Ca 0.01 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.50 1fdj h ASN 3168Cb 1.12 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.50 1fdj h ASN 3168CO 0.11 0.54 -1.15 0.74 -1.65 0.00 0.00 177.43 176.03 1fdj h THR 3169N 0.00 1.42 -0.36 2.81 2.02 -1.13 -1.59 112.91 116.08 1fdj h THR 3169Ca -0.01 -2.73 -0.08 0.00 0.77 0.00 0.00 66.41 64.36 1fdj h THR 3169Cb 1.16 2.72 -0.02 0.00 -1.74 0.00 0.00 68.15 70.27 1fdj h THR 3169CO 0.07 0.81 -0.12 -0.07 0.37 0.00 0.00 175.52 176.58 1fdj h LEU 3170N 0.16 0.61 -0.09 2.58 3.38 -1.05 -1.95 115.31 118.96 1fdj h LEU 3170Ca -0.13 -0.17 -0.25 0.00 0.09 0.00 0.00 57.88 57.42 1fdj h LEU 3170Cb 1.83 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 42.43 1fdj h LEU 3170CO 0.20 0.76 -1.00 0.00 0.09 0.00 0.00 178.44 178.49 1fdj h ALA 3171N 1.30 0.25 0.28 1.53 0.00 -1.18 -2.55 119.26 118.89 1fdj h ALA 3171Ca 0.10 -0.71 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 1fdj h ALA 3171Cb 0.55 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1fdj h ALA 3171CO 0.03 0.76 -0.14 -0.09 0.00 0.00 0.00 179.25 179.82 1fdj h ARG 3172N 0.30 -0.37 -0.56 0.00 9.65 -1.09 -0.87 114.38 121.45 1fdj h ARG 3172Ca -0.11 0.03 0.08 0.00 -1.10 0.00 0.00 59.98 58.88 1fdj h ARG 3172Cb 1.65 0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 30.25 1fdj h ARG 3172CO 0.18 -0.22 0.23 -0.92 2.80 0.00 0.00 179.97 182.04 1fdj h TYR 3173N -0.42 0.40 -0.59 2.20 3.20 -1.44 -0.79 116.97 119.53 1fdj h TYR 3173Ca -0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1fdj h TYR 3173Cb 0.32 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 1fdj h TYR 3173CO -0.05 0.14 0.38 0.00 -1.64 0.00 0.00 178.16 176.99 1fdj h ALA 3174N 1.36 0.75 -0.75 1.82 0.00 -1.29 0.13 119.26 121.28 1fdj h ALA 3174Ca 0.27 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1fdj h ALA 3174Cb 0.29 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1fdj h ALA 3174CO -0.25 0.20 0.49 1.03 0.00 0.00 0.00 179.25 180.71 1fdj h SER 3175N 0.80 0.83 -0.31 0.00 0.87 -0.29 -2.08 113.55 113.37 1fdj h SER 3175Ca 0.22 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.71 1fdj h SER 3175Cb -0.08 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 1fdj h SER 3175CO -0.05 0.58 -0.02 0.40 -0.53 0.00 0.00 176.83 177.22 1fdj h ILE 3176N 0.97 1.27 -0.33 2.23 2.04 -0.42 -2.77 117.51 120.50 1fdj h ILE 3176Ca 0.29 -1.00 0.05 0.00 1.00 0.00 0.00 64.86 65.20 1fdj h ILE 3176Cb -0.05 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 1fdj h ILE 3176CO -0.09 0.32 0.03 0.00 0.00 0.00 0.00 178.15 178.42 1fdj h GLN 3178N 0.13 0.20 0.00 0.00 4.20 -1.31 -0.67 115.11 117.66 1fdj h GLN 3178Ca 0.16 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1fdj h GLN 3178Cb 0.20 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 1fdj h GLN 3178CO -0.24 0.34 -0.06 0.37 -0.67 0.00 0.00 178.83 178.57 1fdj h GLN 3179N 0.19 0.00 -0.36 1.46 5.75 -1.13 -2.80 115.11 118.22 1fdj h GLN 3179Ca 0.04 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1fdj h GLN 3179Cb 0.36 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.91 1fdj h GLN 3179CO 0.02 0.06 0.00 0.09 -2.65 0.00 0.00 178.83 176.35 1fdj n ASN 3180N -3.24 3.66 -0.16 -0.69 3.02 -0.54 -4.97 115.26 112.34 1fdj n ASN 3180Ca -0.01 -2.52 -0.02 0.00 -0.03 0.00 0.00 54.58 52.00 1fdj n ASN 3180Cb 0.27 -0.43 -0.01 0.00 -0.61 0.00 0.00 39.78 39.00 1fdj n ASN 3180CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fdj n GLY 3181N 0.16 0.56 3.60 7.41 0.00 -1.04 -4.73 105.19 111.15 1fdj n GLY 3181Ca 0.18 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 1fdj n GLY 3181CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fdj s LEU 3182N -0.48 3.41 -0.37 0.99 1.02 -0.37 -4.82 118.68 118.06 1fdj s LEU 3182Ca 0.00 0.03 -0.26 0.00 0.02 0.00 0.00 54.13 53.91 1fdj s LEU 3182Cb 0.00 -1.79 0.02 0.00 0.02 0.00 0.00 46.19 44.44 1fdj s LEU 3182CO 0.00 0.30 0.95 -0.69 0.02 0.00 0.00 176.35 176.93 1fdj s VAL 3183N -0.43 4.55 -0.03 -1.59 1.01 -0.39 -3.07 120.40 120.46 1fdj s VAL 3183Ca 0.07 1.21 -0.29 0.00 0.00 0.00 0.00 61.98 62.98 1fdj s VAL 3183Cb -0.12 -4.36 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 1fdj s VAL 3183CO 0.02 -0.57 0.94 -2.16 0.00 0.00 0.00 175.10 173.33 1fdj s PRO 3184N 3.55 4.52 -0.36 2.72 0.04 -1.26 -1.51 135.00 142.71 1fdj s PRO 3184Ca 0.39 1.32 -0.19 0.00 0.04 0.00 0.00 61.00 62.57 1fdj s PRO 3184Cb -0.12 -3.47 -0.00 0.00 0.04 0.00 0.00 34.50 30.95 1fdj s PRO 3184CO 0.19 -0.07 0.56 0.42 0.04 0.00 0.00 177.00 178.14 1fdj s ILE 3185N 1.13 4.97 -0.25 0.56 1.01 -0.38 -2.58 121.20 125.65 1fdj s ILE 3185Ca 0.49 0.41 -0.23 0.00 0.00 0.00 0.00 60.65 61.31 1fdj s ILE 3185Cb -0.20 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.25 1fdj s ILE 3185CO 0.25 -0.27 0.77 -0.69 0.00 0.00 0.00 174.94 175.01 1fdj s VAL 3186N 2.51 4.87 -0.59 2.92 1.01 -0.56 -3.13 120.40 127.43 1fdj s VAL 3186Ca 0.21 1.41 0.04 0.00 0.00 0.00 0.00 61.98 63.64 1fdj s VAL 3186Cb -0.15 -4.08 0.15 0.00 0.00 0.00 0.00 36.38 32.30 1fdj s VAL 3186CO 0.14 -0.07 0.37 -0.70 0.00 0.00 0.00 175.10 174.83 1fdj s GLU 3187N 2.78 2.09 -0.98 2.72 2.12 -1.04 -0.52 118.70 125.87 1fdj s GLU 3187Ca 0.32 -2.87 -0.17 0.00 0.36 0.00 0.00 54.97 52.61 1fdj s GLU 3187Cb -0.15 -3.20 0.15 0.00 0.26 0.00 0.00 34.13 31.19 1fdj s GLU 3187CO 0.08 -1.21 1.15 -1.25 -0.54 0.00 0.00 175.26 173.50 1fdj s PRO 3188N -0.74 3.71 -0.07 4.30 0.04 -1.24 -0.90 135.00 140.09 1fdj s PRO 3188Ca 0.21 -2.02 -0.24 0.00 0.04 0.00 0.00 61.00 59.00 1fdj s PRO 3188Cb -0.15 -4.89 -0.04 0.00 0.04 0.00 0.00 34.50 29.47 1fdj s PRO 3188CO -0.08 -1.71 0.72 -2.00 0.04 0.00 0.00 177.00 173.97 1fdj s GLU 3189N 2.14 4.44 -0.37 4.56 2.12 -0.22 -4.47 118.70 126.89 1fdj s GLU 3189Ca 0.33 0.91 -0.11 0.00 0.36 0.00 0.00 54.97 56.46 1fdj s GLU 3189Cb -0.05 -3.45 0.02 0.00 0.26 0.00 0.00 34.13 30.91 1fdj s GLU 3189CO -0.08 0.04 0.21 0.08 -0.54 0.00 0.00 175.26 174.97 1fdj s VAL 3190N 0.88 4.69 0.38 3.70 1.01 -1.26 -0.66 120.40 129.14 1fdj s VAL 3190Ca 0.38 -0.75 -0.27 0.00 0.00 0.00 0.00 61.98 61.35 1fdj s VAL 3190Cb -0.18 -3.58 -0.09 0.00 0.00 0.00 0.00 36.38 32.53 1fdj s VAL 3190CO 0.18 -0.19 1.25 0.27 0.00 0.00 0.00 175.10 176.61 1fdj s ILE 3191N 1.58 2.86 -1.41 2.22 -4.36 -0.45 -4.89 121.20 116.75 1fdj s ILE 3191Ca 0.03 0.79 0.18 0.00 -0.26 0.00 0.00 60.65 61.38 1fdj s ILE 3191Cb -0.19 -3.47 0.30 0.00 1.25 0.00 0.00 42.46 40.35 1fdj s ILE 3191CO 0.07 0.13 1.53 -2.65 0.24 0.00 0.00 174.94 174.26 1fdj n PRO 3192N 0.37 0.24 -1.82 0.37 -0.02 -1.26 -4.59 135.00 128.29 1fdj n PRO 3192Ca 0.03 0.12 -0.42 0.00 -2.02 0.00 0.00 63.50 61.21 1fdj n PRO 3192Cb 0.44 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.39 1fdj n PRO 3192CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1fdj s ASP 3193N -2.59 6.54 0.00 2.55 1.11 -1.26 -1.02 116.67 122.00 1fdj s ASP 3193Ca 0.16 2.51 0.00 0.00 0.18 0.00 0.00 52.55 55.40 1fdj s ASP 3193Cb 0.12 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.57 1fdj s ASP 3193CO 0.27 -0.99 0.00 0.61 1.18 0.00 0.00 175.17 176.24 1fdj n GLY 3194N 4.32 3.20 0.58 0.21 0.00 -1.26 -4.60 105.19 107.63 1fdj n GLY 3194Ca 0.18 -1.74 0.13 0.00 0.00 0.00 0.00 46.02 44.59 1fdj n GLY 3194CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1fdj n ASP 3195N 0.00 1.93 -4.62 1.61 4.64 -1.26 -1.24 116.55 117.60 1fdj n ASP 3195Ca 0.00 -1.54 -0.32 0.00 -1.38 0.00 0.00 54.79 51.56 1fdj n ASP 3195Cb 0.00 0.09 0.15 0.00 -1.04 0.00 0.00 41.12 40.33 1fdj n ASP 3195CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1fdj n HIS 3196N 0.34 0.48 -3.21 -0.67 1.44 -1.26 -4.19 115.22 108.15 1fdj n HIS 3196Ca 0.15 0.37 -0.21 0.00 -2.01 0.00 0.00 57.72 56.02 1fdj n HIS 3196Cb 0.44 -1.97 0.04 0.00 0.12 0.00 0.00 29.99 28.61 1fdj n HIS 3196CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 1fdj s ASP 3197N -2.44 5.08 0.15 4.39 1.47 -1.26 -0.35 116.67 123.72 1fdj s ASP 3197Ca 0.66 -0.86 -0.17 0.00 1.18 0.00 0.00 52.55 53.35 1fdj s ASP 3197Cb -0.24 0.16 0.06 0.00 -0.34 0.00 0.00 42.92 42.56 1fdj s ASP 3197CO 0.59 -1.19 1.69 0.25 0.68 0.00 0.00 175.17 177.19 1fdj h LEU 3198N 0.38 -0.22 -0.62 2.11 5.85 -1.91 -1.85 115.31 119.04 1fdj h LEU 3198Ca -0.33 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.53 1fdj h LEU 3198Cb 1.29 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.44 1fdj h LEU 3198CO 0.45 -0.07 0.35 -0.33 -0.34 0.00 0.00 178.44 178.49 1fdj h GLU 3199N 0.05 0.64 -0.78 1.25 3.07 -1.96 -0.00 114.58 116.85 1fdj h GLU 3199Ca 0.16 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.96 1fdj h GLU 3199Cb 0.24 -0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 27.97 1fdj h GLU 3199CO -0.31 0.42 0.40 1.25 -1.40 0.00 0.00 179.01 179.38 1fdj h HIS 3200N 0.66 1.09 -0.66 4.33 2.76 -1.81 -2.17 115.15 119.35 1fdj h HIS 3200Ca 0.27 -0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.32 1fdj h HIS 3200Cb 0.14 -0.34 -0.03 0.00 1.55 0.00 0.00 27.41 28.73 1fdj h HIS 3200CO -0.08 0.78 0.08 0.00 -1.30 0.00 0.00 177.93 177.41 1fdj h GLN 3202N 1.02 0.14 -0.16 0.00 4.15 -0.58 -1.12 115.11 118.56 1fdj h GLN 3202Ca 0.20 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.65 1fdj h GLN 3202Cb 0.47 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.09 1fdj h GLN 3202CO 0.02 0.09 -0.10 -0.92 -1.93 0.00 0.00 178.83 175.99 1fdj h TYR 3203N 0.15 -0.24 -0.52 3.99 3.20 -1.35 -1.08 116.97 121.12 1fdj h TYR 3203Ca 0.04 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.88 1fdj h TYR 3203Cb -0.02 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1fdj h TYR 3203CO -0.07 -0.15 0.14 0.28 -1.64 0.00 0.00 178.16 176.72 1fdj h VAL 3204N -0.10 1.24 -0.49 1.81 2.07 -1.37 -1.73 116.25 117.68 1fdj h VAL 3204Ca 0.09 -0.82 0.01 0.00 0.82 0.00 0.00 66.70 66.80 1fdj h VAL 3204Cb 0.24 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1fdj h VAL 3204CO -0.22 0.30 0.31 0.74 0.02 0.00 0.00 177.57 178.72 1fdj h THR 3205N 0.72 1.10 -0.18 2.57 2.02 -0.92 0.11 112.91 118.33 1fdj h THR 3205Ca 0.17 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1fdj h THR 3205Cb 0.31 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1fdj h THR 3205CO -0.00 0.12 0.11 -0.33 0.37 0.00 0.00 175.52 175.78 1fdj h GLU 3206N 0.63 0.25 -0.70 6.66 5.08 -1.08 -0.76 114.58 124.66 1fdj h GLU 3206Ca 0.18 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1fdj h GLU 3206Cb -0.05 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1fdj h GLU 3206CO -0.05 0.22 0.43 -0.22 -1.00 0.00 0.00 179.01 178.38 1fdj h LYS 3207N 0.20 0.95 -0.39 2.33 3.64 -0.91 -1.48 116.57 120.92 1fdj h LYS 3207Ca 0.06 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 1fdj h LYS 3207Cb 0.04 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1fdj h LYS 3207CO -0.01 0.68 -0.06 0.28 -2.27 0.00 0.00 179.45 178.06 1fdj h VAL 3208N 0.96 1.27 -0.17 2.00 2.07 -0.60 -2.72 116.25 119.06 1fdj h VAL 3208Ca 0.25 -1.12 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 1fdj h VAL 3208Cb -0.03 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1fdj h VAL 3208CO -0.05 0.38 -0.16 -0.07 0.02 0.00 0.00 177.57 177.69 1fdj h LEU 3209N 0.54 0.27 -0.30 2.57 3.38 -0.98 -0.34 115.31 120.46 1fdj h LEU 3209Ca 0.10 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1fdj h LEU 3209Cb 0.57 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1fdj h LEU 3209CO 0.03 0.46 -0.10 0.00 0.09 0.00 0.00 178.44 178.92 1fdj h ALA 3210N 1.57 0.41 -0.33 1.53 0.00 -1.17 -1.74 119.26 119.53 1fdj h ALA 3210Ca 0.05 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 1fdj h ALA 3210Cb 0.45 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1fdj h ALA 3210CO 0.03 0.26 -0.06 0.00 0.00 0.00 0.00 179.25 179.48 1fdj h ALA 3211N 0.77 0.45 0.11 0.00 0.00 -1.18 -2.12 119.26 117.30 1fdj h ALA 3211Ca 0.07 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1fdj h ALA 3211Cb 0.60 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1fdj h ALA 3211CO 0.03 0.27 -0.15 0.28 0.00 0.00 0.00 179.25 179.68 1fdj h VAL 3212N 0.41 0.65 0.00 0.00 2.07 -1.03 -0.21 116.25 118.13 1fdj h VAL 3212Ca 0.09 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.55 1fdj h VAL 3212Cb 0.55 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1fdj h VAL 3212CO 0.03 0.00 -0.28 1.88 0.02 0.00 0.00 177.57 179.22 1fdj h TYR 3213N -0.31 0.00 -0.17 1.57 -1.99 -1.33 0.76 116.97 115.49 1fdj h TYR 3213Ca 0.02 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.68 1fdj h TYR 3213Cb 0.32 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.05 1fdj h TYR 3213CO -0.15 0.28 -0.15 -0.22 -0.00 0.00 0.00 178.16 177.92 1fdj h LYS 3214N 0.00 0.41 -0.30 4.88 1.63 -1.12 -2.45 116.57 119.62 1fdj h LYS 3214Ca -0.00 -0.20 0.03 0.00 -0.85 0.00 0.00 60.65 59.62 1fdj h LYS 3214Cb 0.54 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.15 1fdj h LYS 3214CO 0.04 0.76 0.13 0.00 -3.45 0.00 0.00 179.45 176.92 1fdj h ALA 3215N 0.64 0.35 -0.79 5.00 0.00 -0.34 -0.54 119.26 123.58 1fdj h ALA 3215Ca 0.03 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.06 1fdj h ALA 3215Cb 0.67 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1fdj h ALA 3215CO 0.04 -0.27 0.52 -0.07 0.00 0.00 0.00 179.25 179.47 1fdj h LEU 3216N 0.27 0.64 -0.16 0.00 3.38 -0.81 -0.74 115.31 117.90 1fdj h LEU 3216Ca 0.13 0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.93 1fdj h LEU 3216Cb 0.07 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.71 1fdj h LEU 3216CO -0.11 0.38 -0.64 -1.13 0.09 0.00 0.00 178.44 177.03 1fdj h ASN 3217N 0.71 0.84 -0.29 -0.43 -0.73 -0.86 -0.93 115.58 113.88 1fdj h ASN 3217Ca 0.37 -0.61 -0.01 0.00 1.87 0.00 0.00 56.30 57.91 1fdj h ASN 3217Cb 0.48 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.81 1fdj h ASN 3217CO -0.14 1.31 0.15 0.44 -0.37 0.00 0.00 177.43 178.82 1fdj h ASP 3218N 0.41 0.41 -0.10 1.15 3.45 -0.30 -2.32 116.42 119.13 1fdj h ASP 3218Ca -0.03 -0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.40 1fdj h ASP 3218Cb 1.27 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.93 1fdj h ASP 3218CO 0.13 0.36 0.00 1.41 -1.57 0.00 0.00 179.24 179.57 1fdj n HIS 3219N -4.42 0.12 -2.86 4.55 8.25 -0.36 -4.96 115.22 115.53 1fdj n HIS 3219Ca 0.02 -0.06 -0.16 0.00 -0.26 0.00 0.00 57.72 57.26 1fdj n HIS 3219Cb 0.12 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.26 1fdj n HIS 3219CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1fdj n HIS 3220N 0.15 -1.49 -2.73 4.41 8.25 -0.87 -4.88 115.22 118.06 1fdj n HIS 3220Ca 0.17 0.42 -0.42 0.00 -0.26 0.00 0.00 57.72 57.64 1fdj n HIS 3220Cb 0.31 -3.53 -0.03 0.00 1.12 0.00 0.00 29.99 27.85 1fdj n HIS 3220CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1fdj s VAL 3221N -3.02 4.79 -0.78 1.59 1.01 -0.39 -4.85 120.40 118.75 1fdj s VAL 3221Ca 0.24 2.03 -0.26 0.00 0.00 0.00 0.00 61.98 63.99 1fdj s VAL 3221Cb -0.11 -4.31 0.03 0.00 0.00 0.00 0.00 36.38 32.00 1fdj s VAL 3221CO 0.30 0.20 1.34 -0.47 0.00 0.00 0.00 175.10 176.47 1fdj s TYR 3222N 0.75 2.29 0.51 5.22 5.04 -1.26 -4.79 117.35 125.11 1fdj s TYR 3222Ca 0.50 -0.13 0.21 0.00 -2.44 0.00 0.00 57.07 55.21 1fdj s TYR 3222Cb -0.21 -4.61 1.31 0.00 0.35 0.00 0.00 41.96 38.79 1fdj s TYR 3222CO 0.28 -2.07 2.03 -0.07 -1.34 0.00 0.00 175.55 174.39 1fdj h LEU 3223N 13.19 0.06 -1.79 6.97 3.38 -1.93 -1.24 115.31 133.95 1fdj h LEU 3223Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1fdj h LEU 3223Cb 1.05 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1fdj h LEU 3223CO 1.30 0.04 0.00 -0.33 0.09 0.00 0.00 178.44 179.54 1fdj h GLU 3224N 0.07 0.00 -1.43 1.13 3.07 -1.91 -2.96 114.58 112.55 1fdj h GLU 3224Ca 0.19 0.00 -0.64 0.00 -0.50 0.00 0.00 59.36 58.41 1fdj h GLU 3224Cb 0.68 0.00 -0.36 0.00 -0.84 0.00 0.00 28.75 28.23 1fdj h GLU 3224CO -0.01 0.00 -0.02 0.41 -1.40 0.00 0.00 179.01 177.98 1fdj n GLY 3225N -0.25 5.93 3.48 -3.84 0.00 -0.47 -4.36 105.19 105.68 1fdj n GLY 3225Ca -0.00 -2.61 -0.10 0.00 0.00 0.00 0.00 46.02 43.31 1fdj n GLY 3225CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fdj s THR 3226N -5.13 0.00 0.07 2.61 -4.23 -1.12 -4.11 115.64 103.74 1fdj s THR 3226Ca 0.52 -1.58 0.02 0.00 -1.18 0.00 0.00 61.69 59.47 1fdj s THR 3226Cb 0.43 -2.31 -0.03 0.00 1.34 0.00 0.00 72.50 71.92 1fdj s THR 3226CO -0.18 0.00 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.07 1fdj s LEU 3227N -3.07 2.41 -0.12 4.79 1.43 -1.07 -4.30 118.68 118.76 1fdj s LEU 3227Ca 0.27 -0.83 0.03 0.00 -1.03 0.00 0.00 54.13 52.58 1fdj s LEU 3227Cb 0.01 -0.09 0.00 0.00 0.03 0.00 0.00 46.19 46.14 1fdj s LEU 3227CO 0.11 -0.37 -0.22 -0.22 0.23 0.00 0.00 176.35 175.87 1fdj s LEU 3228N -2.46 2.14 -0.59 1.79 1.98 -1.06 -1.49 118.68 118.98 1fdj s LEU 3228Ca 0.03 -0.56 0.04 0.00 -2.89 0.00 0.00 54.13 50.75 1fdj s LEU 3228Cb -0.01 -1.44 0.15 0.00 0.66 0.00 0.00 46.19 45.55 1fdj s LEU 3228CO -0.03 0.13 0.35 -0.75 -1.89 0.00 0.00 176.35 174.16 1fdj s LYS 3229N 0.52 2.18 0.36 1.98 2.20 0.32 -0.30 119.74 127.01 1fdj s LYS 3229Ca -0.14 -2.90 0.07 0.00 -0.36 0.00 0.00 55.97 52.64 1fdj s LYS 3229Cb -0.17 -3.37 -0.01 0.00 -1.51 0.00 0.00 37.83 32.77 1fdj s LYS 3229CO 0.05 -1.18 0.45 -1.25 -0.36 0.00 0.00 175.35 173.06 1fdj s PRO 3230N -0.73 2.91 0.42 4.03 0.04 -1.26 -3.73 135.00 136.68 1fdj s PRO 3230Ca 0.20 -1.18 -0.18 0.00 0.04 0.00 0.00 61.00 59.88 1fdj s PRO 3230Cb -0.18 -2.69 -0.10 0.00 0.04 0.00 0.00 34.50 31.57 1fdj s PRO 3230CO -0.06 -0.04 0.89 0.54 0.04 0.00 0.00 177.00 178.37 1fdj s ASN 3231N -4.18 6.80 0.56 6.66 4.22 -1.26 -3.06 114.94 124.69 1fdj s ASN 3231Ca 0.47 1.53 -0.15 0.00 -2.14 0.00 0.00 52.86 52.56 1fdj s ASN 3231Cb -0.08 -2.48 -0.05 0.00 1.28 0.00 0.00 41.25 39.92 1fdj s ASN 3231CO 0.30 -0.37 1.02 -0.04 -2.04 0.00 0.00 177.10 175.97 1fdj s MET 3232N -3.37 3.62 -0.48 3.55 -1.94 -1.26 -4.96 119.30 114.46 1fdj s MET 3232Ca 0.59 1.03 -0.26 0.00 -1.71 0.00 0.00 55.69 55.33 1fdj s MET 3232Cb -0.10 -2.08 0.03 0.00 2.01 0.00 0.00 34.83 34.69 1fdj s MET 3232CO 0.19 -0.55 1.00 0.08 -0.01 0.00 0.00 175.02 175.73 1fdj s VAL 3233N -2.64 4.37 0.26 -6.03 1.01 -1.26 -4.98 120.40 111.12 1fdj s VAL 3233Ca 0.60 0.86 0.01 0.00 0.00 0.00 0.00 61.98 63.45 1fdj s VAL 3233Cb -0.12 -4.51 -0.05 0.00 0.00 0.00 0.00 36.38 31.70 1fdj s VAL 3233CO 0.37 -0.93 0.12 0.42 0.00 0.00 0.00 175.10 175.08 1fdj s THR 3234N 4.03 0.40 0.82 3.92 -4.23 -1.26 -4.60 115.64 114.72 1fdj s THR 3234Ca 0.40 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.79 1fdj s THR 3234Cb -0.09 -2.58 0.08 0.00 1.34 0.00 0.00 72.50 71.25 1fdj s THR 3234CO 0.28 0.00 1.12 0.00 -0.54 0.00 0.00 174.62 175.48 1fdj s ALA 3235N -3.78 2.28 0.48 3.99 0.00 -1.26 -4.47 121.76 119.00 1fdj s ALA 3235Ca 0.37 -0.41 -0.20 0.00 0.00 0.00 0.00 51.96 51.73 1fdj s ALA 3235Cb 0.07 -3.04 -0.09 0.00 0.00 0.00 0.00 23.12 20.06 1fdj s ALA 3235CO 0.14 -1.80 1.02 0.20 0.00 0.00 0.00 175.76 175.33 1fdj s GLY 3236N -4.14 2.43 0.35 0.00 0.00 0.53 -4.92 107.32 101.58 1fdj s GLY 3236Ca 0.61 0.53 0.08 0.00 0.00 0.00 0.00 44.72 45.94 1fdj s GLY 3236CO 0.53 0.84 1.88 0.45 0.00 0.00 0.00 173.10 176.80 1fdj h HIS 3237N 1.51 0.84 0.00 1.90 3.86 -0.97 0.69 115.15 122.97 1fdj h HIS 3237Ca -0.49 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 1fdj h HIS 3237Cb 1.21 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.42 1fdj h HIS 3237CO 0.58 0.33 0.00 0.00 0.86 0.00 0.00 177.93 179.71 1fdj n ALA 3238N -2.43 2.60 -1.76 2.45 0.00 -0.37 -4.84 120.51 116.15 1fdj n ALA 3238Ca 0.16 -0.18 -0.40 0.00 0.00 0.00 0.00 53.44 53.02 1fdj n ALA 3238Cb 0.42 -1.50 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 1fdj n ALA 3238CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fdj n THR 3240N 0.94 0.05 -2.70 0.00 -2.24 -1.26 -4.94 114.28 104.13 1fdj n THR 3240Ca -0.00 -0.05 -0.33 0.00 -2.27 0.00 0.00 64.05 61.40 1fdj n THR 3240Cb 0.44 0.28 -0.06 0.00 -2.10 0.00 0.00 70.33 68.89 1fdj n THR 3240CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1fdj s LYS 3241N -3.03 4.08 -0.08 -0.78 1.02 -1.26 -5.07 119.74 114.62 1fdj s LYS 3241Ca 0.10 1.16 0.01 0.00 0.02 0.00 0.00 55.97 57.26 1fdj s LYS 3241Cb 0.17 -2.15 -0.03 0.00 -0.52 0.00 0.00 37.83 35.30 1fdj s LYS 3241CO 0.73 -0.16 -0.10 0.21 -0.92 0.00 0.00 175.35 175.10 1fdj s LYS 3242N -3.30 2.83 0.05 1.68 2.47 -1.26 -5.04 119.74 117.17 1fdj s LYS 3242Ca 0.63 -0.62 0.04 0.00 -1.56 0.00 0.00 55.97 54.46 1fdj s LYS 3242Cb -0.11 -2.55 -0.02 0.00 -1.46 0.00 0.00 37.83 33.69 1fdj s LYS 3242CO 0.17 0.54 -0.13 0.71 0.16 0.00 0.00 175.35 176.80 1fdj s TYR 3243N -0.50 1.12 0.47 4.03 1.51 -1.26 -5.16 117.35 117.56 1fdj s TYR 3243Ca 0.07 -0.40 -0.02 0.00 -1.01 0.00 0.00 57.07 55.71 1fdj s TYR 3243Cb -0.12 -0.65 -0.01 0.00 -0.11 0.00 0.00 41.96 41.06 1fdj s TYR 3243CO 0.02 0.03 0.72 0.95 -1.11 0.00 0.00 175.55 176.16 1fdj s THR 3244N -1.03 4.31 0.33 -0.71 -4.23 -1.26 -4.91 115.64 108.14 1fdj s THR 3244Ca -0.01 -0.23 0.06 0.00 -1.18 0.00 0.00 61.69 60.33 1fdj s THR 3244Cb -0.09 -3.62 0.31 0.00 1.34 0.00 0.00 72.50 70.44 1fdj s THR 3244CO 0.01 -0.51 1.84 -0.65 -0.54 0.00 0.00 174.62 174.77 1fdj h PRO 3245N 0.30 0.76 -0.79 3.99 0.11 -1.98 -0.32 132.00 134.07 1fdj h PRO 3245Ca -0.47 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1fdj h PRO 3245Cb 1.24 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 1fdj h PRO 3245CO 0.60 0.50 0.43 1.05 -0.21 0.00 0.00 178.00 180.37 1fdj h GLU 3246N 0.78 1.11 -0.34 1.05 9.09 -1.92 0.32 114.58 124.68 1fdj h GLU 3246Ca 0.50 -0.13 -0.03 0.00 0.05 0.00 0.00 59.36 59.74 1fdj h GLU 3246Cb 0.72 -0.22 -0.01 0.00 -1.65 0.00 0.00 28.75 27.59 1fdj h GLU 3246CO -0.26 0.82 0.09 1.96 0.05 0.00 0.00 179.01 181.68 1fdj h GLN 3247N 1.10 0.53 -0.50 1.06 4.20 -1.47 -0.12 115.11 119.91 1fdj h GLN 3247Ca 0.28 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1fdj h GLN 3247Cb 0.04 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1fdj h GLN 3247CO -0.04 0.57 0.30 0.28 -0.67 0.00 0.00 178.83 179.27 1fdj h VAL 3248N 0.39 1.16 -0.13 -0.54 2.07 -1.00 -2.21 116.25 115.98 1fdj h VAL 3248Ca 0.11 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1fdj h VAL 3248Cb 0.27 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1fdj h VAL 3248CO -0.00 0.16 0.06 0.00 0.02 0.00 0.00 177.57 177.81 1fdj h ALA 3249N 1.14 0.17 -0.66 1.67 0.00 -0.75 -0.29 119.26 120.54 1fdj h ALA 3249Ca 0.18 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1fdj h ALA 3249Cb -0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 1fdj h ALA 3249CO -0.03 -0.26 0.32 1.98 0.00 0.00 0.00 179.25 181.26 1fdj h MET 3250N 0.07 0.55 -0.10 0.00 -1.53 -0.88 -0.55 114.93 112.49 1fdj h MET 3250Ca 0.04 -0.03 -0.15 0.00 -3.44 0.00 0.00 59.70 56.12 1fdj h MET 3250Cb 0.14 -0.12 -0.01 0.00 -0.55 0.00 0.00 31.60 31.06 1fdj h MET 3250CO -0.00 0.36 -0.58 0.00 0.14 0.00 0.00 176.91 176.83 1fdj h ALA 3251N 1.40 0.81 0.06 0.39 0.00 -1.17 -2.62 119.26 118.13 1fdj h ALA 3251Ca 0.32 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1fdj h ALA 3251Cb 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1fdj h ALA 3251CO -0.25 0.71 -0.03 1.15 0.00 0.00 0.00 179.25 180.83 1fdj h THR 3252N 0.25 1.25 -0.70 0.00 2.02 -0.43 -2.95 112.91 112.35 1fdj h THR 3252Ca -0.00 -1.26 -0.06 0.00 0.77 0.00 0.00 66.41 65.86 1fdj h THR 3252Cb 1.09 2.05 -0.03 0.00 -1.74 0.00 0.00 68.15 69.52 1fdj h THR 3252CO 0.10 0.30 0.19 0.58 0.37 0.00 0.00 175.52 177.06 1fdj h VAL 3253N -0.67 1.26 -0.16 3.16 2.07 -1.20 -0.11 116.25 120.60 1fdj h VAL 3253Ca -0.01 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1fdj h VAL 3253Cb 0.56 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1fdj h VAL 3253CO 0.01 0.36 0.10 0.71 0.02 0.00 0.00 177.57 178.77 1fdj h THR 3254N 1.05 1.03 -0.90 2.57 1.35 -1.57 0.38 112.91 116.83 1fdj h THR 3254Ca 0.22 -0.07 0.09 0.00 -0.55 0.00 0.00 66.41 66.10 1fdj h THR 3254Cb 0.34 0.81 -0.07 0.00 -1.73 0.00 0.00 68.15 67.50 1fdj h THR 3254CO -0.00 0.04 0.55 0.00 -0.25 0.00 0.00 175.52 175.86 1fdj h ALA 3255N 1.06 1.28 0.19 6.62 0.00 -1.31 -2.02 119.26 125.09 1fdj h ALA 3255Ca 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1fdj h ALA 3255Cb -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1fdj h ALA 3255CO -0.02 0.23 -0.09 -0.07 0.00 0.00 0.00 179.25 179.30 1fdj h LEU 3256N 0.94 -0.22 0.00 0.00 4.07 -0.29 -3.17 115.31 116.65 1fdj h LEU 3256Ca 0.42 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1fdj h LEU 3256Cb 0.31 0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.10 1fdj h LEU 3256CO -0.22 0.25 0.00 0.00 -1.08 0.00 0.00 178.44 177.39 1fdj n HIS 3257N -4.99 0.00 0.18 1.13 1.44 0.13 -0.92 115.22 112.19 1fdj n HIS 3257Ca -0.08 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.74 1fdj n HIS 3257Cb 0.26 -0.50 0.02 0.00 0.12 0.00 0.00 29.99 29.89 1fdj n HIS 3257CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1fdj n ARG 3258N -1.50 0.55 0.00 -1.40 1.74 -0.77 -4.70 116.66 110.58 1fdj n ARG 3258Ca 0.03 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 1fdj n ARG 3258Cb 0.13 -1.79 0.00 0.00 -1.02 0.00 0.00 32.46 29.78 1fdj n ARG 3258CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1fdj n THR 3259N -2.55 0.00 -2.84 0.55 -2.24 -0.82 -5.04 114.28 101.33 1fdj n THR 3259Ca 0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 1fdj n THR 3259Cb 0.53 -0.40 -0.04 0.00 -2.10 0.00 0.00 70.33 68.32 1fdj n THR 3259CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1fdj s VAL 3260N -1.67 4.46 0.53 2.28 1.01 -0.10 -4.85 120.40 122.06 1fdj s VAL 3260Ca 0.00 0.54 -0.21 0.00 0.00 0.00 0.00 61.98 62.31 1fdj s VAL 3260Cb 0.00 -4.46 -0.07 0.00 0.00 0.00 0.00 36.38 31.85 1fdj s VAL 3260CO 0.00 -0.93 0.99 -0.81 0.00 0.00 0.00 175.10 174.35 1fdj n PRO 3261N 7.24 1.12 0.05 2.72 -0.04 -1.26 -4.81 135.00 140.02 1fdj n PRO 3261Ca 0.04 0.42 0.06 0.00 -0.04 0.00 0.00 63.50 63.98 1fdj n PRO 3261Cb 0.48 -2.14 0.29 0.00 -0.04 0.00 0.00 33.50 32.09 1fdj n PRO 3261CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fdj n ALA 3262N -1.22 1.31 0.18 0.55 0.00 -1.26 -2.20 120.51 117.86 1fdj n ALA 3262Ca 0.12 0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.61 1fdj n ALA 3262Cb 0.44 -1.20 0.33 0.00 0.00 0.00 0.00 19.45 19.03 1fdj n ALA 3262CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fdj h ALA 3263N 2.19 1.33 -2.11 0.00 0.00 -1.92 -3.42 119.26 115.32 1fdj h ALA 3263Ca 0.00 -0.36 -0.56 0.00 0.00 0.00 0.00 54.91 53.99 1fdj h ALA 3263Cb 0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1fdj h ALA 3263CO 0.00 0.50 1.15 0.08 0.00 0.00 0.00 179.25 180.98 1fdj s VAL 3264N -4.14 3.59 0.55 0.00 1.01 -0.94 -3.76 120.40 116.72 1fdj s VAL 3264Ca -0.03 0.68 0.23 0.00 0.00 0.00 0.00 61.98 62.86 1fdj s VAL 3264Cb 0.14 -3.56 0.31 0.00 0.00 0.00 0.00 36.38 33.27 1fdj s VAL 3264CO 0.73 -0.20 2.20 1.55 0.00 0.00 0.00 175.10 179.38 1fdj h PRO 3265N 10.68 0.00 -2.08 2.72 0.13 -1.76 -3.43 132.00 138.26 1fdj h PRO 3265Ca -0.36 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.88 1fdj h PRO 3265Cb 1.17 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.13 1fdj h PRO 3265CO 0.98 0.01 0.52 0.20 -0.23 0.00 0.00 178.00 179.48 1fdj s GLY 3266N -4.10 -0.42 -0.12 1.56 0.00 -1.26 -2.54 107.32 100.44 1fdj s GLY 3266Ca -0.05 1.26 0.01 0.00 0.00 0.00 0.00 44.72 45.94 1fdj s GLY 3266CO 0.61 0.50 -0.14 -0.42 0.00 0.00 0.00 173.10 173.64 1fdj s ILE 3267N -2.64 1.48 -0.36 0.90 1.01 0.93 -2.56 121.20 119.96 1fdj s ILE 3267Ca 0.04 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.08 1fdj s ILE 3267Cb -0.01 -1.38 0.09 0.00 0.01 0.00 0.00 42.46 41.18 1fdj s ILE 3267CO -0.06 0.44 0.09 0.00 0.00 0.00 0.00 174.94 175.41 1fdj s PHE 3269N 1.07 2.87 0.39 0.00 0.08 -0.79 -4.18 117.98 117.43 1fdj s PHE 3269Ca 0.06 0.94 -0.21 0.00 0.12 0.00 0.00 56.93 57.84 1fdj s PHE 3269Cb -0.21 -3.94 -0.10 0.00 -0.57 0.00 0.00 43.02 38.20 1fdj s PHE 3269CO -0.05 -3.06 0.92 -0.48 -0.10 0.00 0.00 175.22 172.44 1fdj s LEU 3270N -0.60 4.04 0.25 -0.37 0.05 -1.17 -1.51 118.68 119.36 1fdj s LEU 3270Ca 0.60 1.66 0.04 0.00 0.05 0.00 0.00 54.13 56.48 1fdj s LEU 3270Cb -0.45 -4.36 0.28 0.00 -2.05 0.00 0.00 46.19 39.62 1fdj s LEU 3270CO 0.47 -0.27 1.59 0.77 -0.55 0.00 0.00 176.35 178.35 1fdj h SER 3271N 2.23 0.29 -6.25 1.48 4.64 -1.94 -3.43 113.55 110.57 1fdj h SER 3271Ca -0.48 -0.16 -0.46 0.00 -0.47 0.00 0.00 61.79 60.22 1fdj h SER 3271Cb 1.18 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1fdj h SER 3271CO 0.62 0.79 -0.82 0.61 -0.87 0.00 0.00 176.83 177.16 1fdj n GLY 3272N 0.16 -0.34 2.33 -0.77 0.00 -1.26 -1.70 105.19 103.60 1fdj n GLY 3272Ca -0.02 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 1fdj n GLY 3272CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fdj n GLY 3273N -1.67 1.13 3.83 -0.02 0.00 -1.26 -4.96 105.19 102.24 1fdj n GLY 3273Ca -0.19 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 1fdj n GLY 3273CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1fdj s MET 3274N -3.17 4.12 1.00 1.61 0.00 -0.69 -5.05 119.30 117.12 1fdj s MET 3274Ca 0.00 0.78 -0.12 0.00 0.00 0.00 0.00 55.69 56.35 1fdj s MET 3274Cb 0.00 -2.62 0.19 0.00 0.00 0.00 0.00 34.83 32.40 1fdj s MET 3274CO 0.00 0.26 1.08 -1.54 0.00 0.00 0.00 175.02 174.82 1fdj s SER 3275N -2.00 2.43 0.13 1.11 1.04 -1.26 -4.40 113.70 110.75 1fdj s SER 3275Ca 0.49 1.64 -0.19 0.00 0.48 0.00 0.00 55.95 58.37 1fdj s SER 3275Cb -0.13 -2.29 -0.05 0.00 0.10 0.00 0.00 66.02 63.65 1fdj s SER 3275CO 0.19 -3.32 1.77 -0.33 0.98 0.00 0.00 173.24 172.53 1fdj h GLU 3276N -2.02 0.25 0.05 4.02 5.08 -1.84 -2.55 114.58 117.57 1fdj h GLU 3276Ca -0.53 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1fdj h GLU 3276Cb 1.30 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1fdj h GLU 3276CO 0.50 0.16 -0.02 1.49 -1.00 0.00 0.00 179.01 180.14 1fdj h GLU 3277N 0.26 -0.06 -0.63 2.33 4.57 -1.91 -2.89 114.58 116.25 1fdj h GLU 3277Ca 0.09 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.32 1fdj h GLU 3277Cb 0.00 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.56 1fdj h GLU 3277CO -0.05 0.22 0.35 -0.44 -1.18 0.00 0.00 179.01 177.92 1fdj h ASP 3278N -0.35 0.53 -0.84 1.04 3.32 -1.93 0.28 116.42 118.47 1fdj h ASP 3278Ca -0.01 0.02 0.07 0.00 0.02 0.00 0.00 57.03 57.14 1fdj h ASP 3278Cb 0.31 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.73 1fdj h ASP 3278CO 0.01 0.35 0.55 0.00 -1.72 0.00 0.00 179.24 178.43 1fdj h ALA 3279N 1.32 1.61 -0.01 3.45 0.00 -1.45 0.13 119.26 124.30 1fdj h ALA 3279Ca 0.27 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 1fdj h ALA 3279Cb 0.14 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1fdj h ALA 3279CO -0.16 0.25 -0.18 1.15 0.00 0.00 0.00 179.25 180.32 1fdj h THR 3280N 0.90 1.55 -0.23 0.00 2.02 -1.03 -2.41 112.91 113.72 1fdj h THR 3280Ca 0.37 -1.87 0.04 0.00 0.77 0.00 0.00 66.41 65.71 1fdj h THR 3280Cb 0.26 2.74 -0.03 0.00 -1.74 0.00 0.00 68.15 69.38 1fdj h THR 3280CO -0.14 0.51 0.02 -0.07 0.37 0.00 0.00 175.52 176.21 1fdj h LEU 3281N -0.55 -0.04 -0.65 2.58 3.38 -0.05 -0.87 115.31 119.11 1fdj h LEU 3281Ca -0.02 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1fdj h LEU 3281Cb 0.92 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 1fdj h LEU 3281CO 0.03 0.01 0.03 0.78 0.09 0.00 0.00 178.44 179.38 1fdj h ASN 3282N 0.10 1.05 -0.73 -0.43 2.35 -0.87 -0.16 115.58 116.89 1fdj h ASN 3282Ca 0.11 -0.29 -0.06 0.00 -0.55 0.00 0.00 56.30 55.51 1fdj h ASN 3282Cb 0.12 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 1fdj h ASN 3282CO -0.16 1.08 0.22 0.25 -1.65 0.00 0.00 177.43 177.17 1fdj h LEU 3283N 0.99 1.08 0.40 1.61 6.46 -1.13 -0.13 115.31 124.59 1fdj h LEU 3283Ca 0.18 -0.21 -0.02 0.00 -0.12 0.00 0.00 57.88 57.71 1fdj h LEU 3283Cb 0.53 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.18 1fdj h LEU 3283CO 0.03 1.01 -0.19 -1.13 -0.62 0.00 0.00 178.44 177.53 1fdj h ASN 3284N 1.10 -0.46 -0.86 1.25 -1.24 -0.87 -2.61 115.58 111.89 1fdj h ASN 3284Ca 0.24 -0.09 0.11 0.00 0.71 0.00 0.00 56.30 57.26 1fdj h ASN 3284Cb 0.32 0.12 -0.06 0.00 0.73 0.00 0.00 38.32 39.43 1fdj h ASN 3284CO -0.01 -0.17 0.56 0.00 -1.29 0.00 0.00 177.43 176.53 1fdj h ALA 3285N -0.26 1.73 -0.73 1.57 0.00 -0.88 0.09 119.26 120.77 1fdj h ALA 3285Ca -0.06 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1fdj h ALA 3285Cb 0.52 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1fdj h ALA 3285CO 0.09 0.08 0.48 0.82 0.00 0.00 0.00 179.25 180.73 1fdj h ILE 3286N 0.79 1.16 0.00 0.00 2.04 -0.87 -1.26 117.51 119.37 1fdj h ILE 3286Ca 0.41 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1fdj h ILE 3286Cb 0.50 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1fdj h ILE 3286CO -0.17 0.17 -0.07 0.59 0.00 0.00 0.00 178.15 178.67 1fdj n ASN 3287N -4.44 0.50 0.01 1.72 3.02 -0.02 -3.12 115.26 112.94 1fdj n ASN 3287Ca 0.08 0.47 0.11 0.00 -0.03 0.00 0.00 54.58 55.21 1fdj n ASN 3287Cb 0.06 -0.57 -0.07 0.00 -0.61 0.00 0.00 39.78 38.60 1fdj n ASN 3287CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1fdj n LEU 3288N -1.94 0.59 -4.65 3.41 4.77 -0.70 -4.77 117.00 113.71 1fdj n LEU 3288Ca 0.06 -0.18 -0.44 0.00 -0.03 0.00 0.00 56.01 55.42 1fdj n LEU 3288Cb 0.39 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.41 1fdj n LEU 3288CO 0.30 0.10 1.62 0.00 -1.33 0.00 0.00 177.39 178.08 1fdj n PRO 3290N 7.51 2.07 -4.32 0.00 -0.04 -1.26 -4.85 135.00 134.10 1fdj n PRO 3290Ca 0.22 -1.65 -0.17 0.00 -0.04 0.00 0.00 63.50 61.87 1fdj n PRO 3290Cb 0.38 -2.63 -0.10 0.00 -0.04 0.00 0.00 33.50 31.11 1fdj n PRO 3290CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1fdj s LEU 3291N 0.46 2.01 0.08 1.53 1.43 -1.26 -5.10 118.68 117.84 1fdj s LEU 3291Ca 0.46 -1.27 -0.31 0.00 -1.03 0.00 0.00 54.13 51.98 1fdj s LEU 3291Cb 0.12 -0.15 -0.08 0.00 0.03 0.00 0.00 46.19 46.10 1fdj s LEU 3291CO 0.00 -0.60 1.58 -2.84 0.23 0.00 0.00 176.35 174.72 1fdj s PRO 3292N -3.93 4.22 -0.54 1.29 0.02 -1.26 -4.95 135.00 129.86 1fdj s PRO 3292Ca 0.31 2.27 0.04 0.00 0.02 0.00 0.00 61.00 63.64 1fdj s PRO 3292Cb 0.07 -3.47 0.16 0.00 0.02 0.00 0.00 34.50 31.28 1fdj s PRO 3292CO 0.10 -0.66 0.39 0.15 -0.33 0.00 0.00 177.00 176.65 1fdj s LYS 3293N 2.15 1.61 0.00 5.54 1.02 -1.26 -4.78 119.74 124.02 1fdj s LYS 3293Ca 0.71 -2.61 0.23 0.00 0.02 0.00 0.00 55.97 54.31 1fdj s LYS 3293Cb -0.39 -2.38 1.36 0.00 -0.52 0.00 0.00 37.83 35.90 1fdj s LYS 3293CO 0.31 -1.32 1.76 -0.35 -0.92 0.00 0.00 175.35 174.84 1fdj n PRO 3294N 2.57 0.80 -4.39 -1.68 -0.04 -1.26 -4.85 135.00 126.15 1fdj n PRO 3294Ca 0.23 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.49 1fdj n PRO 3294Cb 0.41 -1.45 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 1fdj n PRO 3294CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1fdj s TRP 3295N -2.00 1.79 0.22 0.54 1.48 -1.26 -4.96 118.94 114.74 1fdj s TRP 3295Ca 0.34 -0.96 -0.30 0.00 -1.06 0.00 0.00 56.10 54.13 1fdj s TRP 3295Cb 0.16 -1.10 -0.08 0.00 -1.16 0.00 0.00 33.47 31.28 1fdj s TRP 3295CO 0.26 -0.03 1.05 0.15 -4.06 0.00 0.00 176.95 174.32 1fdj s LYS 3296N -3.89 4.68 -0.73 3.25 -0.14 -1.05 -4.89 119.74 116.96 1fdj s LYS 3296Ca 0.34 1.68 0.01 0.00 -1.36 0.00 0.00 55.97 56.63 1fdj s LYS 3296Cb 0.07 -3.25 0.18 0.00 -1.68 0.00 0.00 37.83 33.15 1fdj s LYS 3296CO 0.13 0.23 0.55 -0.51 -0.76 0.00 0.00 175.35 174.99 1fdj s LEU 3297N -0.91 5.11 0.00 3.17 2.01 -1.26 -0.05 118.68 126.76 1fdj s LEU 3297Ca 0.46 -3.46 0.00 0.00 0.01 0.00 0.00 54.13 51.13 1fdj s LEU 3297Cb -0.29 -1.79 0.00 0.00 0.01 0.00 0.00 46.19 44.12 1fdj s LEU 3297CO 0.36 -0.21 0.00 -0.24 1.01 0.00 0.00 176.35 177.27 1fdj n SER 3298N 2.61 0.61 -4.48 2.29 2.88 0.17 -4.65 113.62 113.05 1fdj n SER 3298Ca 0.16 -0.42 -0.24 0.00 -1.33 0.00 0.00 58.87 57.04 1fdj n SER 3298Cb 0.36 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.72 1fdj n SER 3298CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1fdj s PHE 3299N 1.15 2.18 -0.47 0.66 -0.71 -1.26 -1.88 117.98 117.65 1fdj s PHE 3299Ca 0.00 -0.56 0.06 0.00 -1.04 0.00 0.00 56.93 55.39 1fdj s PHE 3299Cb 0.00 -1.20 0.23 0.00 -1.21 0.00 0.00 43.02 40.84 1fdj s PHE 3299CO 0.00 0.47 0.79 0.45 -1.34 0.00 0.00 175.22 175.58 1fdj n SER 3300N -0.67 -2.32 -4.96 1.98 2.88 -0.57 -0.33 113.62 109.63 1fdj n SER 3300Ca -0.05 -3.12 -0.22 0.00 -1.33 0.00 0.00 58.87 54.14 1fdj n SER 3300Cb 0.63 1.29 -0.01 0.00 -0.75 0.00 0.00 64.21 65.37 1fdj n SER 3300CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1fdj s TYR 3301N 0.35 3.39 0.00 0.66 4.12 -1.09 -4.13 117.35 120.66 1fdj s TYR 3301Ca 0.32 0.15 0.00 0.00 0.02 0.00 0.00 57.07 57.56 1fdj s TYR 3301Cb 0.19 -1.87 0.00 0.00 -1.52 0.00 0.00 41.96 38.76 1fdj s TYR 3301CO -0.20 0.13 0.00 0.41 0.02 0.00 0.00 175.55 175.91 1fdj n GLY 3302N -1.70 0.38 0.07 0.71 0.00 -1.26 -0.93 105.19 102.47 1fdj n GLY 3302Ca -0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.07 1fdj n GLY 3302CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fdj n ARG 3303N -0.59 0.10 0.08 1.61 1.74 -1.26 -1.45 116.66 116.89 1fdj n ARG 3303Ca 0.00 0.37 0.13 0.00 -0.77 0.00 0.00 57.85 57.58 1fdj n ARG 3303Cb 0.00 -1.71 0.36 0.00 -1.02 0.00 0.00 32.46 30.09 1fdj n ARG 3303CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fdj n ALA 3304N -1.65 2.50 -0.02 7.54 0.00 -1.26 -2.73 120.51 124.89 1fdj n ALA 3304Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1fdj n ALA 3304Cb 0.18 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.20 1fdj n ALA 3304CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1fdj n LEU 3305N -2.12 0.00 -0.10 0.00 4.77 -0.56 -4.64 117.00 114.35 1fdj n LEU 3305Ca 0.05 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.10 1fdj n LEU 3305Cb 0.42 0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.53 1fdj n LEU 3305CO 0.32 0.08 0.05 0.00 -1.33 0.00 0.00 177.39 176.51 1fdj n GLN 3306N -1.98 2.21 0.10 3.23 6.02 -0.53 -4.64 117.38 121.79 1fdj n GLN 3306Ca -0.06 -0.24 -0.14 0.00 -0.01 0.00 0.00 57.00 56.55 1fdj n GLN 3306Cb 0.44 -1.18 -0.07 0.00 1.02 0.00 0.00 30.24 30.45 1fdj n GLN 3306CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1fdj h ALA 3307N 2.15 -0.72 -0.25 -1.58 0.00 -1.74 -1.19 119.26 115.94 1fdj h ALA 3307Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1fdj h ALA 3307Cb 0.38 0.72 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1fdj h ALA 3307CO 0.00 -0.98 -0.14 0.77 0.00 0.00 0.00 179.25 178.91 1fdj h SER 3308N -0.63 0.40 0.42 0.00 0.02 -1.87 -2.81 113.55 109.08 1fdj h SER 3308Ca 0.03 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 1fdj h SER 3308Cb 0.67 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1fdj h SER 3308CO -0.27 0.56 -0.20 0.00 -1.14 0.00 0.00 176.83 175.78 1fdj h ALA 3309N 1.48 -0.57 -0.75 3.77 0.00 -1.70 -0.36 119.26 121.13 1fdj h ALA 3309Ca 0.07 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.91 1fdj h ALA 3309Cb 0.47 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 1fdj h ALA 3309CO 0.03 -0.75 0.41 -0.07 0.00 0.00 0.00 179.25 178.87 1fdj h LEU 3310N -0.70 0.58 0.87 0.00 3.38 -1.21 0.10 115.31 118.33 1fdj h LEU 3310Ca -0.06 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1fdj h LEU 3310Cb 0.50 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.20 1fdj h LEU 3310CO 0.09 0.34 -0.42 0.00 0.09 0.00 0.00 178.44 178.54 1fdj h ALA 3311N 1.43 -1.28 -0.22 1.53 0.00 -1.39 -2.31 119.26 117.02 1fdj h ALA 3311Ca 0.36 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1fdj h ALA 3311Cb 0.33 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1fdj h ALA 3311CO -0.24 -1.19 0.19 0.00 0.00 0.00 0.00 179.25 178.00 1fdj h ALA 3312N -1.43 2.03 -0.08 0.00 0.00 -0.88 -2.22 119.26 116.68 1fdj h ALA 3312Ca -0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1fdj h ALA 3312Cb 0.90 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1fdj h ALA 3312CO 0.20 -0.30 -0.02 2.35 0.00 0.00 0.00 179.25 181.47 1fdj h TRP 3313N 0.00 0.19 -1.89 0.00 7.01 -0.55 -3.43 115.95 117.29 1fdj h TRP 3313Ca 0.11 -0.04 -0.34 0.00 2.11 0.00 0.00 58.89 60.72 1fdj h TRP 3313Cb 0.48 -0.04 -0.10 0.00 -2.10 0.00 0.00 29.16 27.40 1fdj h TRP 3313CO 0.00 0.49 -0.35 0.41 -2.79 0.00 0.00 178.44 176.21 1fdj n GLY 3314N -0.08 0.95 2.30 2.65 0.00 -0.84 -1.81 105.19 108.35 1fdj n GLY 3314Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 1fdj n GLY 3314CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fdj n GLY 3315N -0.50 1.17 3.02 -0.02 0.00 -1.26 -4.95 105.19 102.65 1fdj n GLY 3315Ca -0.18 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.04 1fdj n GLY 3315CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fdj s LYS 3316N -2.86 1.61 0.51 1.61 1.02 -0.75 -5.04 119.74 115.84 1fdj s LYS 3316Ca 0.00 -0.40 0.20 0.00 0.02 0.00 0.00 55.97 55.79 1fdj s LYS 3316Cb 0.00 -1.35 1.29 0.00 -0.52 0.00 0.00 37.83 37.25 1fdj s LYS 3316CO 0.00 0.04 2.04 0.00 -0.92 0.00 0.00 175.35 176.51 1fdj h ALA 3317N 6.90 2.27 0.00 5.17 0.00 -1.95 -1.51 119.26 130.14 1fdj h ALA 3317Ca -0.31 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1fdj h ALA 3317Cb 1.18 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1fdj h ALA 3317CO 0.48 -0.37 -0.02 1.05 0.00 0.00 0.00 179.25 180.38 1fdj h GLU 3318N 0.07 0.00 -0.01 0.00 4.11 -1.96 -1.59 114.58 115.21 1fdj h GLU 3318Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.61 1fdj h GLU 3318Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1fdj h GLU 3318CO -0.01 0.02 -0.08 0.09 0.07 0.00 0.00 179.01 179.10 1fdj n ASN 3319N -3.16 0.88 -0.33 3.06 3.02 -0.57 -4.35 115.26 113.81 1fdj n ASN 3319Ca -0.01 -1.05 0.20 0.00 -0.03 0.00 0.00 54.58 53.70 1fdj n ASN 3319Cb 0.24 0.00 0.39 0.00 -0.61 0.00 0.00 39.78 39.81 1fdj n ASN 3319CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1fdj h LYS 3320N 1.26 0.06 -0.79 3.52 3.64 -1.39 0.24 116.57 123.13 1fdj h LYS 3320Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1fdj h LYS 3320Cb 0.38 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 1fdj h LYS 3320CO 0.00 0.04 0.50 1.57 -2.27 0.00 0.00 179.45 179.29 1fdj h LYS 3321N 0.07 1.05 -0.10 1.90 2.10 -1.83 0.29 116.57 120.05 1fdj h LYS 3321Ca 0.68 -0.08 -0.16 0.00 -2.00 0.00 0.00 60.65 59.09 1fdj h LYS 3321Cb 1.55 -0.23 -0.01 0.00 -0.90 0.00 0.00 32.23 32.64 1fdj h LYS 3321CO -0.80 0.72 -0.62 0.00 -2.00 0.00 0.00 179.45 176.75 1fdj h ALA 3322N 1.27 0.76 -0.00 0.07 0.00 -0.91 -1.77 119.26 118.67 1fdj h ALA 3322Ca 0.29 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1fdj h ALA 3322Cb -0.08 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1fdj h ALA 3322CO -0.06 0.73 0.00 1.15 0.00 0.00 0.00 179.25 181.07 1fdj h THR 3323N 0.26 1.14 -0.06 0.00 2.02 -0.48 -1.29 112.91 114.50 1fdj h THR 3323Ca -0.01 -0.42 -0.09 0.00 0.77 0.00 0.00 66.41 66.66 1fdj h THR 3323Cb 1.15 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 1fdj h THR 3323CO 0.10 0.11 -0.36 1.56 0.37 0.00 0.00 175.52 177.31 1fdj h GLN 3324N -0.18 0.13 -0.02 6.66 4.20 -0.95 -2.68 115.11 122.26 1fdj h GLN 3324Ca 0.00 -0.05 -0.18 0.00 0.06 0.00 0.00 58.65 58.48 1fdj h GLN 3324Cb 0.18 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1fdj h GLN 3324CO -0.00 0.47 -0.77 1.49 -0.67 0.00 0.00 178.83 179.35 1fdj h GLU 3325N 0.11 0.20 -0.21 1.46 4.81 -1.18 -1.49 114.58 118.28 1fdj h GLU 3325Ca 0.01 -0.18 -0.17 0.00 -0.13 0.00 0.00 59.36 58.89 1fdj h GLU 3325Cb 0.69 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.11 1fdj h GLU 3325CO 0.05 0.87 -0.56 0.00 -0.73 0.00 0.00 179.01 178.65 1fdj h ALA 3326N 1.07 0.62 0.08 2.92 0.00 -1.09 -2.55 119.26 120.30 1fdj h ALA 3326Ca -0.03 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 1fdj h ALA 3326Cb 1.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1fdj h ALA 3326CO 0.12 0.69 -0.04 0.35 0.00 0.00 0.00 179.25 180.37 1fdj h PHE 3327N 0.50 -0.11 -0.60 0.00 -0.00 -1.45 -2.89 116.94 112.40 1fdj h PHE 3327Ca 0.01 -0.00 0.10 0.00 -0.00 0.00 0.00 57.97 58.08 1fdj h PHE 3327Cb 1.13 0.03 -0.08 0.00 -0.00 0.00 0.00 35.95 37.03 1fdj h PHE 3327CO 0.05 0.30 0.18 0.52 -0.00 0.00 0.00 178.31 179.36 1fdj h MET 3328N -0.54 0.32 0.07 1.11 2.86 -1.31 -0.51 114.93 116.94 1fdj h MET 3328Ca -0.01 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1fdj h MET 3328Cb 0.45 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 1fdj h MET 3328CO 0.02 0.21 -0.23 -0.22 1.06 0.00 0.00 176.91 177.75 1fdj h LYS 3329N 0.33 -0.39 -0.31 1.72 3.64 -1.49 -1.93 116.57 118.13 1fdj h LYS 3329Ca 0.31 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.75 1fdj h LYS 3329Cb 0.43 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 1fdj h LYS 3329CO -0.35 -0.26 0.11 -0.09 -2.27 0.00 0.00 179.45 176.58 1fdj h ARG 3330N -0.41 0.24 -0.99 1.90 9.65 -1.20 -2.59 114.38 120.98 1fdj h ARG 3330Ca 0.04 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.92 1fdj h ARG 3330Cb 0.45 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 28.93 1fdj h ARG 3330CO -0.16 0.16 0.66 0.00 2.80 0.00 0.00 179.97 183.42 1fdj h ALA 3331N 1.20 1.30 -0.17 2.80 0.00 -0.90 -2.59 119.26 120.90 1fdj h ALA 3331Ca 0.14 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1fdj h ALA 3331Cb 0.11 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1fdj h ALA 3331CO -0.15 0.64 -0.20 -0.39 0.00 0.00 0.00 179.25 179.16 1fdj h VAL 3332N 1.33 1.34 -0.72 0.00 -1.51 -1.10 -2.59 116.25 113.00 1fdj h VAL 3332Ca 0.37 -1.38 -0.01 0.00 -1.23 0.00 0.00 66.70 64.45 1fdj h VAL 3332Cb -0.13 1.85 -0.03 0.00 -2.13 0.00 0.00 31.29 30.85 1fdj h VAL 3332CO -0.09 0.41 0.41 -0.37 -1.23 0.00 0.00 177.57 176.70 1fdj h VAL 3333N 0.08 1.22 0.00 7.19 -1.51 -1.39 -0.94 116.25 120.89 1fdj h VAL 3333Ca 0.02 -0.52 -0.05 0.00 -1.23 0.00 0.00 66.70 64.92 1fdj h VAL 3333Cb 0.75 0.26 -0.01 0.00 -2.13 0.00 0.00 31.29 30.15 1fdj h VAL 3333CO 0.05 0.23 -0.26 0.78 -1.23 0.00 0.00 177.57 177.15 1fdj h ASN 3334N 0.99 0.00 -0.03 4.19 2.35 -1.49 0.32 115.58 121.90 1fdj h ASN 3334Ca 0.25 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.85 1fdj h ASN 3334Cb 0.02 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1fdj h ASN 3334CO -0.04 0.26 -0.52 0.00 -1.65 0.00 0.00 177.43 175.47 1fdj h GLN 3336N 0.47 0.35 -0.24 0.00 4.20 -0.10 -2.68 115.11 117.12 1fdj h GLN 3336Ca 0.02 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1fdj h GLN 3336Cb 1.06 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.79 1fdj h GLN 3336CO 0.10 0.52 0.09 0.00 -0.67 0.00 0.00 178.83 178.87 1fdj h ALA 3337N 0.82 1.70 0.00 3.87 0.00 -0.76 0.37 119.26 125.25 1fdj h ALA 3337Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1fdj h ALA 3337Cb 0.35 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1fdj h ALA 3337CO 0.01 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.50 1fdj n ALA 3338N -2.49 1.41 -0.62 0.00 0.00 0.37 -1.68 120.51 117.50 1fdj n ALA 3338Ca 0.01 0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.58 1fdj n ALA 3338Cb 0.13 -1.31 0.05 0.00 0.00 0.00 0.00 19.45 18.33 1fdj n ALA 3338CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1fdj n LYS 3339N -2.07 1.89 -3.49 0.00 2.85 -0.21 -4.69 118.16 112.44 1fdj n LYS 3339Ca 0.01 -1.77 -0.21 0.00 -1.05 0.00 0.00 58.31 55.29 1fdj n LYS 3339Cb 0.14 -1.10 0.08 0.00 -0.65 0.00 0.00 35.03 33.50 1fdj n LYS 3339CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1fdj n GLY 3340N -0.76 -0.43 0.54 2.58 0.00 -0.67 -4.93 105.19 101.52 1fdj n GLY 3340Ca 0.06 0.17 0.04 0.00 0.00 0.00 0.00 46.02 46.29 1fdj n GLY 3340CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1fdj n GLN 3341N -4.54 0.56 -3.25 1.61 6.02 -0.05 -4.96 117.38 112.77 1fdj n GLN 3341Ca -0.08 -1.89 -0.41 0.00 -0.01 0.00 0.00 57.00 54.61 1fdj n GLN 3341Cb 0.59 -0.85 -0.08 0.00 1.02 0.00 0.00 30.24 30.92 1fdj n GLN 3341CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1fdj s TYR 3342N -1.23 3.21 0.08 1.08 5.04 -1.25 -4.78 117.35 119.50 1fdj s TYR 3342Ca 0.19 0.32 -0.24 0.00 -2.44 0.00 0.00 57.07 54.91 1fdj s TYR 3342Cb 0.19 -2.84 -0.06 0.00 0.35 0.00 0.00 41.96 39.60 1fdj s TYR 3342CO -0.03 -0.44 0.72 0.08 -1.34 0.00 0.00 175.55 174.54 1fdj s VAL 3343N 2.34 4.65 0.17 3.14 1.01 -1.26 -4.95 120.40 125.50 1fdj s VAL 3343Ca 0.19 1.54 -0.29 0.00 0.00 0.00 0.00 61.98 63.42 1fdj s VAL 3343Cb -0.15 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 32.08 1fdj s VAL 3343CO 0.12 0.45 0.91 -2.28 0.00 0.00 0.00 175.10 174.30 1fdj s HIS 3344N -0.55 3.90 -0.30 5.22 2.46 -1.26 -5.03 115.29 119.72 1fdj s HIS 3344Ca 0.35 1.81 -0.25 0.00 0.47 0.00 0.00 55.06 57.44 1fdj s HIS 3344Cb -0.21 -2.97 0.00 0.00 -0.13 0.00 0.00 32.58 29.28 1fdj s HIS 3344CO 0.23 0.37 0.87 0.99 -2.47 0.00 0.00 174.74 174.72 1fdj s THR 3345N -0.71 4.72 -0.42 0.89 2.01 -1.26 -4.97 115.64 115.91 1fdj s THR 3345Ca 0.42 1.37 0.09 0.00 0.31 0.00 0.00 61.69 63.88 1fdj s THR 3345Cb -0.24 -4.22 0.33 0.00 0.01 0.00 0.00 72.50 68.38 1fdj s THR 3345CO 0.30 -0.29 0.90 0.61 -0.69 0.00 0.00 174.62 175.45 1fdj n GLY 3346N 4.06 2.10 0.12 4.40 0.00 -1.26 -4.95 105.19 109.67 1fdj n GLY 3346Ca 0.06 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 1fdj n GLY 3346CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1fdj h SER 3347N 3.08 0.27 -0.47 1.61 0.87 -2.07 -3.35 113.55 113.49 1fdj h SER 3347Ca 0.00 -0.78 -0.06 0.00 -1.23 0.00 0.00 61.79 59.72 1fdj h SER 3347Cb 1.03 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.88 1fdj h SER 3347CO 0.33 1.61 0.09 0.28 -0.53 0.00 0.00 176.83 178.61 1fdj h SER 3348N -0.44 0.79 0.00 6.23 0.02 -2.04 -3.44 113.55 114.66 1fdj h SER 3348Ca -0.33 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1fdj h SER 3348Cb 1.66 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.00 1fdj h SER 3348CO -0.01 0.80 0.00 0.61 -1.14 0.00 0.00 176.83 177.09 1fdj n GLY 3349N -0.77 0.18 3.23 -3.77 0.00 -1.26 -4.55 105.19 98.25 1fdj n GLY 3349Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 1fdj n GLY 3349CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fdj n ALA 3350N 2.03 0.47 -3.05 4.61 0.00 -1.26 -4.71 120.51 118.61 1fdj n ALA 3350Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 52.12 1fdj n ALA 3350Cb 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1fdj n ALA 3350CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fdj n ALA 3351N 9.46 -0.13 -2.48 0.00 0.00 -1.26 -5.18 120.51 120.91 1fdj n ALA 3351Ca 0.20 -0.06 -0.25 0.00 0.00 0.00 0.00 53.44 53.33 1fdj n ALA 3351Cb 0.45 0.04 -0.15 0.00 0.00 0.00 0.00 19.45 19.79 1fdj n ALA 3351CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1fdj s SER 3352N -1.13 2.30 0.21 0.00 1.04 -1.26 -5.12 113.70 109.73 1fdj s SER 3352Ca 0.01 -0.42 -0.30 0.00 0.48 0.00 0.00 55.95 55.72 1fdj s SER 3352Cb -0.00 -0.22 -0.09 0.00 0.10 0.00 0.00 66.02 65.81 1fdj s SER 3352CO 0.00 0.19 1.34 0.42 0.98 0.00 0.00 173.24 176.18 1fdj s THR 3353N -0.62 3.09 0.00 2.02 -4.23 -1.26 -4.94 115.64 109.71 1fdj s THR 3353Ca 0.07 0.90 0.00 0.00 -1.18 0.00 0.00 61.69 61.48 1fdj s THR 3353Cb -0.08 -3.57 0.00 0.00 1.34 0.00 0.00 72.50 70.19 1fdj s THR 3353CO 0.00 0.13 0.37 0.00 -0.54 0.00 0.00 174.62 174.59 1fdj n GLN 3354N 2.62 -0.09 -1.03 3.99 3.00 -1.26 -4.96 117.38 119.65 1fdj n GLN 3354Ca 0.06 -0.42 -0.36 0.00 -0.01 0.00 0.00 57.00 56.27 1fdj n GLN 3354Cb 0.42 -0.77 -0.10 0.00 0.00 0.00 0.00 30.24 29.79 1fdj n GLN 3354CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1fdj n SER 3355N -0.05 1.55 -2.68 1.08 7.64 -1.26 -4.18 113.62 115.72 1fdj n SER 3355Ca 0.00 -2.55 -0.05 0.00 1.01 0.00 0.00 58.87 57.28 1fdj n SER 3355Cb 0.17 -1.03 0.07 0.00 -1.01 0.00 0.00 64.21 62.41 1fdj n SER 3355CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1fdj n LEU 3356N 11.89 -1.50 -4.96 -3.43 4.77 -1.26 -5.10 117.00 117.41 1fdj n LEU 3356Ca 0.46 -2.43 -0.23 0.00 -0.03 0.00 0.00 56.01 53.78 1fdj n LEU 3356Cb 0.43 0.75 0.02 0.00 -2.33 0.00 0.00 43.42 42.30 1fdj n LEU 3356CO 0.98 1.57 0.34 -0.36 -1.33 0.00 0.00 177.39 178.59 1fdj s PHE 3357N 0.10 3.08 -2.42 -1.77 0.40 -1.26 -4.98 117.98 111.13 1fdj s PHE 3357Ca 0.15 0.17 0.23 0.00 -0.60 0.00 0.00 56.93 56.89 1fdj s PHE 3357Cb 0.23 -2.54 0.47 0.00 0.51 0.00 0.00 43.02 41.69 1fdj s PHE 3357CO -0.09 -0.62 1.43 2.41 0.70 0.00 0.00 175.22 179.05 1fdj n THR 3358N -2.24 0.56 -3.18 0.64 -1.04 -1.26 -4.91 114.28 102.86 1fdj n THR 3358Ca 0.04 -0.77 -0.40 0.00 -2.04 0.00 0.00 64.05 60.88 1fdj n THR 3358Cb 0.58 0.91 -0.06 0.00 -1.82 0.00 0.00 70.33 69.94 1fdj n THR 3358CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1fdj s ALA 3359N -1.44 3.54 0.00 2.41 0.00 -1.26 -4.94 121.76 120.08 1fdj s ALA 3359Ca 0.40 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.04 1fdj s ALA 3359Cb 0.23 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.46 1fdj s ALA 3359CO 0.32 -0.49 0.00 0.43 0.00 0.00 0.00 175.76 176.02 1fdj n SER 3360N 4.90 0.00 0.00 0.00 7.64 -1.26 -5.12 113.62 119.78 1fdj n SER 3360Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1fdj n SER 3360Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1fdj n SER 3360CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fdj n TYR 3361N 5.20 0.00 -4.82 1.43 9.36 -1.26 -5.15 117.16 121.92 1fdj n TYR 3361Ca 0.00 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 60.96 1fdj n TYR 3361Cb 0.00 0.00 -0.16 0.00 -0.63 0.00 0.00 39.34 38.55 1fdj n TYR 3361CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1fdj s THR 3362N 2.88 1.43 0.00 2.97 2.01 -1.26 -5.23 115.64 118.45 1fdj s THR 3362Ca 0.00 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.30 1fdj s THR 3362Cb 0.00 -1.24 0.00 0.00 0.01 0.00 0.00 72.50 71.27 1fdj s THR 3362CO 0.00 0.41 0.00 -1.22 -0.69 0.00 0.00 174.62 173.12