#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jqb n LYS 3002N 0.00 3.05 0.00 3.17 2.85 -1.26 -2.16 118.16 123.81 1jqb n LYS 3002Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1jqb n LYS 3002Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1jqb n LYS 3002CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1jqb n GLY 3003N 5.00 3.78 3.76 2.58 0.00 -1.26 -3.84 105.19 115.21 1jqb n GLY 3003Ca 0.00 -1.74 -0.38 0.00 0.00 0.00 0.00 46.02 43.90 1jqb n GLY 3003CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jqb s PHE 3004N -2.43 3.57 0.25 1.61 5.36 0.20 -2.51 117.98 124.03 1jqb s PHE 3004Ca 0.00 0.86 0.01 0.00 -0.96 0.00 0.00 56.93 56.84 1jqb s PHE 3004Cb 0.00 -2.43 -0.03 0.00 -0.34 0.00 0.00 43.02 40.22 1jqb s PHE 3004CO 0.00 0.33 0.20 0.00 -1.46 0.00 0.00 175.22 174.28 1jqb s ALA 3005N 0.08 1.31 -0.90 11.12 0.00 -0.86 -1.20 121.76 131.31 1jqb s ALA 3005Ca 0.23 -1.78 -0.13 0.00 0.00 0.00 0.00 51.96 50.28 1jqb s ALA 3005Cb -0.15 1.40 0.23 0.00 0.00 0.00 0.00 23.12 24.59 1jqb s ALA 3005CO 0.10 -0.63 0.88 1.41 0.00 0.00 0.00 175.76 177.52 1jqb s MET 3006N -3.91 3.74 -1.24 0.00 1.75 0.20 -3.14 119.30 116.71 1jqb s MET 3006Ca 0.39 -2.59 -0.09 0.00 -1.25 0.00 0.00 55.69 52.15 1jqb s MET 3006Cb 0.05 -4.50 -0.07 0.00 2.84 0.00 0.00 34.83 33.16 1jqb s MET 3006CO 0.17 -1.32 2.47 1.47 -0.65 0.00 0.00 175.02 177.16 1jqb n LEU 3007N 3.88 6.61 0.00 4.11 -0.00 -0.77 -2.39 117.00 128.43 1jqb n LEU 3007Ca 0.17 -3.57 0.00 0.00 -0.00 0.00 0.00 56.01 52.61 1jqb n LEU 3007Cb 0.45 -1.32 0.00 0.00 -0.00 0.00 0.00 43.42 42.55 1jqb n LEU 3007CO 0.37 1.21 0.00 0.61 -0.00 0.00 0.00 177.39 179.58 1jqb n GLY 3008N 3.74 0.88 3.68 1.47 0.00 -1.13 -4.56 105.19 109.27 1jqb n GLY 3008Ca 0.60 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 1jqb n GLY 3008CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jqb s ILE 3009N -2.24 3.69 0.00 -0.61 1.01 -1.26 -2.77 121.20 119.02 1jqb s ILE 3009Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 60.65 61.65 1jqb s ILE 3009Cb 0.00 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.83 1jqb s ILE 3009CO 0.00 -0.04 0.00 -3.20 0.00 0.00 0.00 174.94 171.70 1jqb n ASN 3010N 6.04 -1.50 -3.96 3.58 2.85 -0.96 -4.98 115.26 116.33 1jqb n ASN 3010Ca 0.15 0.00 -0.27 0.00 -0.11 0.00 0.00 54.58 54.35 1jqb n ASN 3010Cb 0.43 -0.25 -0.17 0.00 1.24 0.00 0.00 39.78 41.03 1jqb n ASN 3010CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1jqb s LYS 3011N -0.11 1.71 0.47 1.20 2.20 -1.12 -4.92 119.74 119.17 1jqb s LYS 3011Ca 0.00 -0.35 0.07 0.00 -0.36 0.00 0.00 55.97 55.32 1jqb s LYS 3011Cb 0.00 -1.62 -0.00 0.00 -1.51 0.00 0.00 37.83 34.70 1jqb s LYS 3011CO 0.00 -0.17 0.35 -0.51 -0.36 0.00 0.00 175.35 174.66 1jqb s LEU 3012N 1.35 3.06 0.00 5.43 1.43 -1.26 -1.86 118.68 126.82 1jqb s LEU 3012Ca -0.01 -1.02 0.00 0.00 -1.03 0.00 0.00 54.13 52.07 1jqb s LEU 3012Cb -0.14 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.51 1jqb s LEU 3012CO -0.05 -0.81 0.00 0.61 0.23 0.00 0.00 176.35 176.33 1jqb n GLY 3013N -1.57 4.00 3.66 -3.19 0.00 -1.19 -4.81 105.19 102.09 1jqb n GLY 3013Ca 0.01 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 1jqb n GLY 3013CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jqb s TRP 3014N -2.00 3.39 0.26 1.61 0.52 -1.26 -2.03 118.94 119.43 1jqb s TRP 3014Ca 0.00 1.18 0.09 0.00 0.02 0.00 0.00 56.10 57.39 1jqb s TRP 3014Cb 0.00 -2.99 -0.04 0.00 -1.15 0.00 0.00 33.47 29.29 1jqb s TRP 3014CO 0.00 -0.26 0.00 0.96 0.02 0.00 0.00 176.95 177.67 1jqb s ILE 3015N 2.25 3.49 -0.29 2.03 -4.36 -1.04 -4.94 121.20 118.33 1jqb s ILE 3015Ca 0.36 -1.87 -0.11 0.00 -0.26 0.00 0.00 60.65 58.77 1jqb s ILE 3015Cb -0.16 -2.86 -0.04 0.00 1.25 0.00 0.00 42.46 40.65 1jqb s ILE 3015CO 0.11 -0.36 0.19 -1.61 0.24 0.00 0.00 174.94 173.51 1jqb s GLU 3016N -3.63 3.78 0.21 0.37 0.41 -1.26 -3.99 118.70 114.59 1jqb s GLU 3016Ca 0.31 -0.43 0.05 0.00 -0.41 0.00 0.00 54.97 54.49 1jqb s GLU 3016Cb -0.07 -3.65 -0.05 0.00 -1.78 0.00 0.00 34.13 28.58 1jqb s GLU 3016CO 0.20 -0.25 -0.06 0.15 -0.49 0.00 0.00 175.26 174.80 1jqb s LYS 3017N 1.73 1.28 -0.09 1.61 1.02 -0.92 -4.97 119.74 119.40 1jqb s LYS 3017Ca 0.07 -1.61 -0.30 0.00 0.02 0.00 0.00 55.97 54.15 1jqb s LYS 3017Cb -0.16 -0.77 -0.03 0.00 -0.52 0.00 0.00 37.83 36.35 1jqb s LYS 3017CO 0.10 0.02 1.21 -1.21 -0.92 0.00 0.00 175.35 174.55 1jqb s GLU 3018N -3.77 4.32 0.04 1.68 0.41 -1.26 -1.24 118.70 118.87 1jqb s GLU 3018Ca 0.24 1.66 -0.38 0.00 -0.41 0.00 0.00 54.97 56.08 1jqb s GLU 3018Cb 0.03 -3.62 -0.19 0.00 -1.78 0.00 0.00 34.13 28.58 1jqb s GLU 3018CO 0.06 -0.53 1.16 -2.13 -0.49 0.00 0.00 175.26 173.34 1jqb n ARG 3019N 5.64 0.48 -1.86 1.61 0.63 -1.26 -4.83 116.66 117.06 1jqb n ARG 3019Ca 0.12 0.17 -0.39 0.00 -0.92 0.00 0.00 57.85 56.83 1jqb n ARG 3019Cb 0.46 -1.71 0.03 0.00 0.45 0.00 0.00 32.46 31.68 1jqb n ARG 3019CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1jqb s PRO 3020N 0.14 3.43 -0.09 -0.14 0.04 -1.26 -5.02 135.00 132.09 1jqb s PRO 3020Ca 0.87 2.23 -0.01 0.00 0.04 0.00 0.00 61.00 64.13 1jqb s PRO 3020Cb -1.13 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 30.96 1jqb s PRO 3020CO 0.53 -0.96 -0.05 0.14 0.04 0.00 0.00 177.00 176.70 1jqb s VAL 3021N -1.30 3.85 0.13 -0.36 -7.23 -1.26 -4.97 120.40 109.26 1jqb s VAL 3021Ca 0.66 -0.41 -0.26 0.00 -1.81 0.00 0.00 61.98 60.16 1jqb s VAL 3021Cb -0.40 -2.61 -0.07 0.00 0.56 0.00 0.00 36.38 33.86 1jqb s VAL 3021CO 0.49 0.57 0.81 0.00 -0.31 0.00 0.00 175.10 176.66 1jqb s ALA 3022N -0.53 3.40 0.71 1.32 0.00 -1.26 -5.03 121.76 120.37 1jqb s ALA 3022Ca 0.08 0.39 -0.04 0.00 0.00 0.00 0.00 51.96 52.38 1jqb s ALA 3022Cb -0.12 -3.02 0.10 0.00 0.00 0.00 0.00 23.12 20.07 1jqb s ALA 3022CO 0.02 0.19 1.00 0.20 0.00 0.00 0.00 175.76 177.17 1jqb s GLY 3023N -0.73 1.75 0.36 0.00 0.00 -1.26 -4.71 107.32 102.73 1jqb s GLY 3023Ca 0.38 -1.30 0.19 0.00 0.00 0.00 0.00 44.72 43.99 1jqb s GLY 3023CO 0.26 -0.82 1.57 1.44 0.00 0.00 0.00 173.10 175.56 1jqb n SER 3024N -2.89 0.30 -0.84 1.64 7.64 -1.26 -0.32 113.62 117.89 1jqb n SER 3024Ca 0.11 1.66 0.08 0.00 1.01 0.00 0.00 58.87 61.73 1jqb n SER 3024Cb 0.60 -0.79 0.18 0.00 -1.01 0.00 0.00 64.21 63.20 1jqb n SER 3024CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1jqb n TYR 3025N -5.28 0.52 -3.34 1.43 4.01 -1.26 0.02 117.16 113.26 1jqb n TYR 3025Ca 0.36 -0.40 -0.21 0.00 -0.16 0.00 0.00 57.90 57.49 1jqb n TYR 3025Cb 1.24 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 40.28 1jqb n TYR 3025CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1jqb s ASP 3026N -1.06 5.01 -0.05 7.72 1.01 0.56 -1.27 116.67 128.58 1jqb s ASP 3026Ca 0.30 -0.92 -0.08 0.00 0.71 0.00 0.00 52.55 52.56 1jqb s ASP 3026Cb 0.16 0.15 0.01 0.00 1.01 0.00 0.00 42.92 44.26 1jqb s ASP 3026CO 0.22 -1.14 0.19 0.00 0.21 0.00 0.00 175.17 174.64 1jqb s ALA 3027N -2.65 -0.46 -0.18 5.23 0.00 -0.94 -0.80 121.76 121.96 1jqb s ALA 3027Ca 0.51 0.34 -0.07 0.00 0.00 0.00 0.00 51.96 52.74 1jqb s ALA 3027Cb -0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1jqb s ALA 3027CO 0.32 -0.14 0.05 0.42 0.00 0.00 0.00 175.76 176.41 1jqb s ILE 3028N -0.44 4.72 0.04 0.00 -1.09 0.94 -1.40 121.20 123.98 1jqb s ILE 3028Ca -0.05 -0.06 0.07 0.00 -2.23 0.00 0.00 60.65 58.38 1jqb s ILE 3028Cb -0.04 -3.12 -0.02 0.00 -1.58 0.00 0.00 42.46 37.70 1jqb s ILE 3028CO 0.01 0.47 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.29 1jqb s VAL 3029N 0.30 1.67 -0.24 2.92 1.01 -0.58 -1.22 120.40 124.25 1jqb s VAL 3029Ca 0.03 -1.19 -0.09 0.00 0.00 0.00 0.00 61.98 60.73 1jqb s VAL 3029Cb -0.12 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1jqb s VAL 3029CO 0.00 0.22 0.12 -0.60 0.00 0.00 0.00 175.10 174.85 1jqb s ARG 3030N -1.14 3.89 0.27 2.72 3.52 0.18 -1.60 118.95 126.79 1jqb s ARG 3030Ca 0.08 -0.36 -0.30 0.00 -0.13 0.00 0.00 55.73 55.02 1jqb s ARG 3030Cb -0.09 -3.45 -0.10 0.00 -1.56 0.00 0.00 34.95 29.75 1jqb s ARG 3030CO 0.02 -0.05 1.45 -1.25 -0.81 0.00 0.00 175.30 174.65 1jqb s PRO 3031N 1.31 4.25 -0.08 5.12 0.04 -1.26 -0.30 135.00 144.08 1jqb s PRO 3031Ca 0.06 2.34 0.15 0.00 0.04 0.00 0.00 61.00 63.59 1jqb s PRO 3031Cb -0.15 -3.09 -0.22 0.00 0.04 0.00 0.00 34.50 31.09 1jqb s PRO 3031CO 0.05 -0.43 0.22 1.28 0.04 0.00 0.00 177.00 178.17 1jqb n LEU 3032N 2.05 0.00 -3.64 -3.56 4.77 0.65 -4.72 117.00 112.55 1jqb n LEU 3032Ca 0.06 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.95 1jqb n LEU 3032Cb 0.40 0.16 -0.07 0.00 -2.33 0.00 0.00 43.42 41.58 1jqb n LEU 3032CO 0.61 0.16 0.75 0.00 -1.33 0.00 0.00 177.39 177.58 1jqb s ALA 3033N -2.79 -1.98 0.24 -1.18 0.00 -1.00 -1.59 121.76 113.46 1jqb s ALA 3033Ca -0.07 1.87 0.01 0.00 0.00 0.00 0.00 51.96 53.77 1jqb s ALA 3033Cb 0.08 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 1jqb s ALA 3033CO 0.65 -0.23 0.15 0.14 0.00 0.00 0.00 175.76 176.47 1jqb s VAL 3034N 0.20 0.09 -0.09 0.00 -7.23 -0.90 -1.70 120.40 110.78 1jqb s VAL 3034Ca 0.03 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.09 1jqb s VAL 3034Cb -0.05 -2.52 0.03 0.00 0.56 0.00 0.00 36.38 34.40 1jqb s VAL 3034CO -0.06 0.00 0.29 -0.55 -0.31 0.00 0.00 175.10 174.46 1jqb s SER 3035N -3.23 -0.27 0.21 4.85 0.15 -0.58 -1.42 113.70 113.41 1jqb s SER 3035Ca 0.39 0.46 -0.20 0.00 0.70 0.00 0.00 55.95 57.31 1jqb s SER 3035Cb 0.06 0.53 -0.08 0.00 -1.71 0.00 0.00 66.02 64.82 1jqb s SER 3035CO 0.15 -0.17 0.71 -2.16 1.20 0.00 0.00 173.24 172.98 1jqb s PRO 3036N -0.17 4.25 0.02 5.44 0.04 -1.26 -4.25 135.00 139.09 1jqb s PRO 3036Ca -0.03 0.86 0.09 0.00 0.04 0.00 0.00 61.00 61.96 1jqb s PRO 3036Cb -0.03 -2.91 -0.03 0.00 0.04 0.00 0.00 34.50 31.57 1jqb s PRO 3036CO 0.01 0.41 -0.26 0.00 0.04 0.00 0.00 177.00 177.20 1jqb h THR 3038N 4.31 0.62 -0.97 0.00 2.02 -1.96 -0.56 112.91 116.36 1jqb h THR 3038Ca -0.45 -0.11 0.23 0.00 0.77 0.00 0.00 66.41 66.85 1jqb h THR 3038Cb 1.13 0.26 -0.08 0.00 -1.74 0.00 0.00 68.15 67.73 1jqb h THR 3038CO 0.45 0.06 0.64 -1.28 0.37 0.00 0.00 175.52 175.75 1jqb h SER 3039N 0.33 0.44 0.41 4.18 0.87 -1.94 0.42 113.55 118.25 1jqb h SER 3039Ca 0.49 0.06 -0.19 0.00 -1.23 0.00 0.00 61.79 60.92 1jqb h SER 3039Cb 1.36 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.30 1jqb h SER 3039CO -0.17 0.14 -0.82 0.44 -0.53 0.00 0.00 176.83 175.89 1jqb h ASP 3040N 0.42 0.39 -1.01 6.23 3.32 -1.48 -2.81 116.42 121.47 1jqb h ASP 3040Ca 0.53 -0.28 0.06 0.00 0.02 0.00 0.00 57.03 57.36 1jqb h ASP 3040Cb 1.31 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 40.68 1jqb h ASP 3040CO -0.23 1.05 0.65 0.40 -1.72 0.00 0.00 179.24 179.39 1jqb h ILE 3041N 0.19 1.10 0.09 0.35 1.08 -0.97 -1.52 117.51 117.83 1jqb h ILE 3041Ca -0.04 -0.41 -0.00 0.00 -0.39 0.00 0.00 64.86 64.01 1jqb h ILE 3041Cb 1.42 -0.20 0.00 0.00 -3.07 0.00 0.00 36.82 34.97 1jqb h ILE 3041CO 0.13 0.22 -0.04 0.45 -0.69 0.00 0.00 178.15 178.22 1jqb h HIS 3042N 1.19 -0.11 -1.41 1.37 3.86 -1.35 0.18 115.15 118.88 1jqb h HIS 3042Ca 0.43 -0.00 0.48 0.00 -1.16 0.00 0.00 60.37 60.12 1jqb h HIS 3042Cb 0.15 0.04 -0.14 0.00 1.06 0.00 0.00 27.41 28.52 1jqb h HIS 3042CO -0.00 -0.07 0.91 1.79 0.86 0.00 0.00 177.93 181.42 1jqb h THR 3043N -0.13 0.02 0.00 2.45 1.35 -1.38 0.13 112.91 115.35 1jqb h THR 3043Ca -0.01 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1jqb h THR 3043Cb 0.09 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.52 1jqb h THR 3043CO 0.02 0.00 0.00 0.52 -0.25 0.00 0.00 175.52 175.81 1jqb n VAL 3044N -4.69 0.00 0.53 6.82 0.31 -0.58 -2.38 118.33 118.34 1jqb n VAL 3044Ca 0.40 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.73 1jqb n VAL 3044Cb 1.59 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 34.43 1jqb n VAL 3044CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1jqb n PHE 3045N -0.45 0.00 0.00 3.52 3.01 0.04 -2.26 117.46 121.32 1jqb n PHE 3045Ca 0.00 -0.45 0.00 0.00 1.01 0.00 0.00 57.45 58.01 1jqb n PHE 3045Cb 0.00 -0.26 0.00 0.00 -0.01 0.00 0.00 39.48 39.21 1jqb n PHE 3045CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1jqb n GLU 3046N 0.82 0.57 -3.49 -1.08 4.07 0.38 -4.91 120.64 117.00 1jqb n GLU 3046Ca 0.00 0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 56.84 1jqb n GLU 3046Cb 0.38 -0.06 0.03 0.00 -0.06 0.00 0.00 31.44 31.72 1jqb n GLU 3046CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1jqb n GLY 3047N -0.09 -0.51 0.17 8.31 0.00 -0.70 -4.84 105.19 107.54 1jqb n GLY 3047Ca 0.00 0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1jqb n GLY 3047CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqb h ALA 3048N 0.99 1.00 0.00 4.61 0.00 -1.72 -1.47 119.26 122.67 1jqb h ALA 3048Ca -0.53 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1jqb h ALA 3048Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1jqb h ALA 3048CO 0.59 0.00 -1.20 1.47 0.00 0.00 0.00 179.25 180.11 1jqb n LEU 3049N -2.36 0.64 0.00 0.00 -0.00 -1.26 -4.99 117.00 109.02 1jqb n LEU 3049Ca 0.00 -0.35 0.00 0.00 -0.00 0.00 0.00 56.01 55.66 1jqb n LEU 3049Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.55 1jqb n LEU 3049CO 0.16 0.16 0.00 0.61 -0.00 0.00 0.00 177.39 178.32 1jqb n GLY 3050N 1.43 0.21 3.68 1.47 0.00 -0.55 -5.00 105.19 106.42 1jqb n GLY 3050Ca 0.01 -1.96 -0.35 0.00 0.00 0.00 0.00 46.02 43.73 1jqb n GLY 3050CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jqb s ASP 3051N -4.00 5.18 0.00 1.61 -1.08 -1.26 -4.64 116.67 112.48 1jqb s ASP 3051Ca 0.00 0.11 0.04 0.00 -0.52 0.00 0.00 52.55 52.19 1jqb s ASP 3051Cb 0.00 -1.43 -0.01 0.00 -1.46 0.00 0.00 42.92 40.01 1jqb s ASP 3051CO 0.00 0.36 -0.13 -0.13 0.52 0.00 0.00 175.17 175.79 1jqb s ARG 3052N -0.97 1.02 -0.30 4.34 1.81 -1.26 -5.06 118.95 118.53 1jqb s ARG 3052Ca 0.14 -0.53 -0.05 0.00 -1.72 0.00 0.00 55.73 53.56 1jqb s ARG 3052Cb -0.11 -1.00 0.02 0.00 -0.45 0.00 0.00 34.95 33.41 1jqb s ARG 3052CO 0.03 0.27 0.06 0.21 -0.68 0.00 0.00 175.30 175.19 1jqb s LYS 3053N -0.51 2.88 -1.05 3.54 2.47 -1.26 -2.85 119.74 122.97 1jqb s LYS 3053Ca 0.04 -0.99 -0.17 0.00 -1.56 0.00 0.00 55.97 53.29 1jqb s LYS 3053Cb -0.06 -3.31 -0.00 0.00 -1.46 0.00 0.00 37.83 33.00 1jqb s LYS 3053CO -0.00 -0.50 0.74 0.09 0.16 0.00 0.00 175.35 175.84 1jqb n ASN 3054N 4.80 -5.43 -4.35 1.43 3.02 -1.01 -4.94 115.26 108.78 1jqb n ASN 3054Ca -0.14 -0.93 -0.37 0.00 -0.03 0.00 0.00 54.58 53.10 1jqb n ASN 3054Cb 0.47 -3.15 -0.12 0.00 -0.61 0.00 0.00 39.78 36.36 1jqb n ASN 3054CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1jqb s MET 3055N -5.63 3.13 0.30 3.52 1.75 -1.12 -4.84 119.30 116.41 1jqb s MET 3055Ca 0.35 -0.83 -0.30 0.00 -1.25 0.00 0.00 55.69 53.66 1jqb s MET 3055Cb -0.14 -3.38 -0.12 0.00 2.84 0.00 0.00 34.83 34.04 1jqb s MET 3055CO 0.87 -0.43 1.60 -0.89 -0.65 0.00 0.00 175.02 175.52 1jqb n ILE 3056N 4.88 1.05 -2.64 10.11 5.41 -1.26 0.60 119.36 137.51 1jqb n ILE 3056Ca -0.15 -0.26 -0.23 0.00 1.00 0.00 0.00 62.75 63.11 1jqb n ILE 3056Cb 0.48 -1.99 0.11 0.00 -0.71 0.00 0.00 39.64 37.53 1jqb n ILE 3056CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1jqb s LEU 3057N -0.54 2.96 0.00 1.39 1.43 -0.34 0.16 118.68 123.75 1jqb s LEU 3057Ca 0.64 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 1jqb s LEU 3057Cb -0.49 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 43.90 1jqb s LEU 3057CO 0.49 -1.88 0.00 0.61 0.23 0.00 0.00 176.35 175.80 1jqb n GLY 3058N -2.82 -0.94 0.60 -3.19 0.00 -1.26 -0.91 105.19 96.68 1jqb n GLY 3058Ca 0.16 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1jqb n GLY 3058CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1jqb n HIS 3059N 0.81 0.00 -3.90 1.61 1.44 -1.26 -0.39 115.22 113.53 1jqb n HIS 3059Ca 0.00 -0.05 -0.30 0.00 -2.01 0.00 0.00 57.72 55.35 1jqb n HIS 3059Cb 0.00 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 29.96 1jqb n HIS 3059CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1jqb s GLU 3060N 0.00 1.25 0.06 -1.40 2.02 -1.26 -3.95 118.70 115.42 1jqb s GLU 3060Ca 0.03 -1.67 -0.16 0.00 0.02 0.00 0.00 54.97 53.20 1jqb s GLU 3060Cb 0.03 -2.76 0.03 0.00 0.10 0.00 0.00 34.13 31.53 1jqb s GLU 3060CO -0.01 -0.98 0.36 0.00 0.02 0.00 0.00 175.26 174.64 1jqb s ALA 3061N 1.03 -0.83 -0.04 5.21 0.00 -1.26 -1.53 121.76 124.33 1jqb s ALA 3061Ca 0.11 0.08 0.04 0.00 0.00 0.00 0.00 51.96 52.19 1jqb s ALA 3061Cb -0.19 0.41 -0.00 0.00 0.00 0.00 0.00 23.12 23.34 1jqb s ALA 3061CO -0.13 -0.48 -0.16 0.08 0.00 0.00 0.00 175.76 175.08 1jqb s VAL 3062N -2.83 1.33 0.00 0.00 1.01 -0.69 -2.55 120.40 116.68 1jqb s VAL 3062Ca -0.03 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1jqb s VAL 3062Cb 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.22 1jqb s VAL 3062CO -0.05 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1jqb n GLY 3063N 3.22 2.59 3.50 4.51 0.00 -0.66 -0.25 105.19 118.10 1jqb n GLY 3063Ca -0.18 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.41 1jqb n GLY 3063CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jqb s GLU 3064N -1.46 3.23 0.16 1.61 2.12 0.58 0.11 118.70 125.06 1jqb s GLU 3064Ca 0.00 -0.58 -0.30 0.00 0.36 0.00 0.00 54.97 54.45 1jqb s GLU 3064Cb 0.00 -2.71 -0.07 0.00 0.26 0.00 0.00 34.13 31.61 1jqb s GLU 3064CO 0.00 0.40 1.10 0.08 -0.54 0.00 0.00 175.26 176.30 1jqb s VAL 3065N -0.10 3.94 0.00 3.70 1.01 0.88 -0.64 120.40 129.19 1jqb s VAL 3065Ca 0.01 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.62 1jqb s VAL 3065Cb -0.13 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1jqb s VAL 3065CO 0.03 0.26 0.00 1.33 0.00 0.00 0.00 175.10 176.72 1jqb n VAL 3066N 2.59 0.00 -3.64 2.92 0.24 -0.36 0.38 118.33 120.46 1jqb n VAL 3066Ca 0.03 -0.26 -0.12 0.00 -2.04 0.00 0.00 64.34 61.95 1jqb n VAL 3066Cb 0.46 0.79 -0.07 0.00 -1.47 0.00 0.00 33.84 33.55 1jqb n VAL 3066CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1jqb s GLU 3067N -1.09 0.76 0.07 7.34 2.12 -1.14 -4.79 118.70 121.97 1jqb s GLU 3067Ca 0.00 1.02 0.02 0.00 0.36 0.00 0.00 54.97 56.37 1jqb s GLU 3067Cb 0.00 0.31 -0.03 0.00 0.26 0.00 0.00 34.13 34.67 1jqb s GLU 3067CO 0.00 -0.11 -0.07 0.14 -0.54 0.00 0.00 175.26 174.68 1jqb s VAL 3068N 0.74 0.59 0.87 3.70 -7.23 -1.26 -0.04 120.40 117.77 1jqb s VAL 3068Ca -0.03 -1.48 -0.12 0.00 -1.81 0.00 0.00 61.98 58.54 1jqb s VAL 3068Cb -0.05 -1.11 0.11 0.00 0.56 0.00 0.00 36.38 35.89 1jqb s VAL 3068CO -0.05 -0.62 1.13 -0.83 -0.31 0.00 0.00 175.10 174.41 1jqb s GLY 3069N -2.28 1.59 0.00 2.32 0.00 0.02 -4.92 107.32 104.06 1jqb s GLY 3069Ca 0.00 -0.43 0.04 0.00 0.00 0.00 0.00 44.72 44.34 1jqb s GLY 3069CO -0.02 0.08 1.11 -1.14 0.00 0.00 0.00 173.10 173.13 1jqb n SER 3070N -3.64 0.00 -0.21 1.64 3.41 -1.13 -2.48 113.62 111.20 1jqb n SER 3070Ca 0.07 0.44 0.06 0.00 -0.26 0.00 0.00 58.87 59.18 1jqb n SER 3070Cb 0.58 -0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 64.06 1jqb n SER 3070CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jqb n GLU 3071N -1.46 2.17 -2.11 4.33 -0.58 0.10 -4.97 120.64 118.12 1jqb n GLU 3071Ca 0.01 -0.51 -0.42 0.00 -0.42 0.00 0.00 57.16 55.82 1jqb n GLU 3071Cb 0.05 -1.15 -0.03 0.00 -0.57 0.00 0.00 31.44 29.74 1jqb n GLU 3071CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1jqb s VAL 3072N -1.77 3.65 -0.09 2.62 1.01 -1.04 -4.91 120.40 119.88 1jqb s VAL 3072Ca 0.09 0.90 0.12 0.00 0.00 0.00 0.00 61.98 63.09 1jqb s VAL 3072Cb 0.10 -3.58 -0.17 0.00 0.00 0.00 0.00 36.38 32.73 1jqb s VAL 3072CO 0.37 -0.05 0.12 0.29 0.00 0.00 0.00 175.10 175.84 1jqb n LYS 3073N 6.38 1.49 0.00 2.72 4.76 -1.26 -4.70 118.16 127.55 1jqb n LYS 3073Ca 0.15 -0.04 0.10 0.00 -2.87 0.00 0.00 58.31 55.65 1jqb n LYS 3073Cb 0.43 -1.31 0.05 0.00 -1.84 0.00 0.00 35.03 32.35 1jqb n LYS 3073CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1jqb n ASP 3074N -2.30 2.30 -4.11 4.39 8.00 -1.26 -4.95 116.55 118.62 1jqb n ASP 3074Ca -0.14 -1.65 -0.18 0.00 0.71 0.00 0.00 54.79 53.53 1jqb n ASP 3074Cb 0.72 0.20 -0.13 0.00 -0.02 0.00 0.00 41.12 41.90 1jqb n ASP 3074CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1jqb s PHE 3075N -1.88 1.03 0.15 1.24 0.08 -1.26 -5.06 117.98 112.28 1jqb s PHE 3075Ca 0.20 -0.38 -0.06 0.00 0.12 0.00 0.00 56.93 56.81 1jqb s PHE 3075Cb 0.16 -0.61 -0.02 0.00 -0.57 0.00 0.00 43.02 41.98 1jqb s PHE 3075CO 0.35 0.01 0.18 -1.59 -0.10 0.00 0.00 175.22 174.07 1jqb s LYS 3076N -1.27 1.04 0.25 0.44 -2.85 -1.26 -4.94 119.74 111.16 1jqb s LYS 3076Ca -0.02 -1.27 -0.31 0.00 -1.00 0.00 0.00 55.97 53.37 1jqb s LYS 3076Cb -0.08 0.32 -0.13 0.00 -2.06 0.00 0.00 37.83 35.87 1jqb s LYS 3076CO 0.01 -0.34 1.38 -2.30 0.10 0.00 0.00 175.35 174.19 1jqb n PRO 3077N -0.15 2.01 0.00 1.78 -0.02 -1.26 -1.74 135.00 135.61 1jqb n PRO 3077Ca -0.07 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1jqb n PRO 3077Cb 0.63 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1jqb n PRO 3077CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jqb n GLY 3078N 1.97 2.72 3.77 -1.23 0.00 0.16 -4.96 105.19 107.62 1jqb n GLY 3078Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1jqb n GLY 3078CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jqb s ASP 3079N 0.10 6.53 -0.15 1.61 1.01 -0.71 -4.69 116.67 120.37 1jqb s ASP 3079Ca 0.00 2.89 -0.12 0.00 0.71 0.00 0.00 52.55 56.03 1jqb s ASP 3079Cb 0.00 -2.66 -0.05 0.00 1.01 0.00 0.00 42.92 41.22 1jqb s ASP 3079CO 0.00 -0.73 0.23 -0.13 0.21 0.00 0.00 175.17 174.76 1jqb s ARG 3080N -1.87 4.10 0.11 8.23 0.52 -1.26 -0.08 118.95 128.70 1jqb s ARG 3080Ca 0.52 -0.00 0.04 0.00 -0.52 0.00 0.00 55.73 55.76 1jqb s ARG 3080Cb -0.44 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 31.62 1jqb s ARG 3080CO 0.58 0.36 -0.10 0.14 0.02 0.00 0.00 175.30 176.30 1jqb s VAL 3081N 0.13 1.02 -0.23 3.52 -7.23 0.12 -1.30 120.40 116.43 1jqb s VAL 3081Ca 0.14 -1.78 -0.11 0.00 -1.81 0.00 0.00 61.98 58.43 1jqb s VAL 3081Cb -0.13 -1.52 -0.05 0.00 0.56 0.00 0.00 36.38 35.24 1jqb s VAL 3081CO 0.03 -0.61 0.19 -0.63 -0.31 0.00 0.00 175.10 173.76 1jqb s ILE 3082N -2.71 5.35 -0.34 -0.62 1.01 0.28 -1.65 121.20 122.52 1jqb s ILE 3082Ca 0.09 0.25 -0.07 0.00 0.00 0.00 0.00 60.65 60.92 1jqb s ILE 3082Cb -0.01 -3.53 0.04 0.00 0.01 0.00 0.00 42.46 38.97 1jqb s ILE 3082CO 0.00 0.35 0.11 -0.69 0.00 0.00 0.00 174.94 174.71 1jqb s VAL 3083N 0.98 3.83 0.39 2.92 1.01 -1.06 -2.60 120.40 125.88 1jqb s VAL 3083Ca 0.09 -1.10 -0.27 0.00 0.00 0.00 0.00 61.98 60.71 1jqb s VAL 3083Cb -0.13 -3.16 -0.09 0.00 0.00 0.00 0.00 36.38 33.00 1jqb s VAL 3083CO 0.04 -0.17 1.31 -2.16 0.00 0.00 0.00 175.10 174.12 1jqb s PRO 3084N 1.41 4.03 0.59 2.72 0.04 -1.26 -4.38 135.00 138.15 1jqb s PRO 3084Ca -0.01 2.19 0.33 0.00 0.04 0.00 0.00 61.00 63.55 1jqb s PRO 3084Cb -0.19 -2.82 1.84 0.00 0.04 0.00 0.00 34.50 33.37 1jqb s PRO 3084CO 0.03 -0.45 2.22 0.00 0.04 0.00 0.00 177.00 178.84 1jqb s THR 3086N -4.34 4.36 -0.56 0.00 2.01 -1.26 -4.26 115.64 111.59 1jqb s THR 3086Ca -0.04 -0.35 0.04 0.00 0.31 0.00 0.00 61.69 61.65 1jqb s THR 3086Cb 0.14 -3.14 0.16 0.00 0.01 0.00 0.00 72.50 69.66 1jqb s THR 3086CO 0.53 0.19 0.37 0.42 -0.69 0.00 0.00 174.62 175.44 1jqb s THR 3087N 1.60 1.95 1.12 -0.82 -4.23 -0.57 -1.61 115.64 113.08 1jqb s THR 3087Ca 0.05 -3.40 -0.13 0.00 -1.18 0.00 0.00 61.69 57.03 1jqb s THR 3087Cb -0.16 -2.31 0.26 0.00 1.34 0.00 0.00 72.50 71.62 1jqb s THR 3087CO 0.04 -1.00 1.05 -2.84 -0.54 0.00 0.00 174.62 171.33 1jqb s PRO 3088N -0.56 -0.55 -0.43 3.99 0.02 -1.17 -4.73 135.00 131.58 1jqb s PRO 3088Ca 0.24 0.70 -0.11 0.00 0.02 0.00 0.00 61.00 61.84 1jqb s PRO 3088Cb -0.10 -1.61 0.07 0.00 0.02 0.00 0.00 34.50 32.88 1jqb s PRO 3088CO -0.11 -3.44 0.29 -0.51 -0.33 0.00 0.00 177.00 172.90 1jqb s ASP 3089N -2.85 5.82 0.19 2.53 1.01 -1.26 -4.92 116.67 117.19 1jqb s ASP 3089Ca 0.67 -1.37 0.20 0.00 0.71 0.00 0.00 52.55 52.77 1jqb s ASP 3089Cb -0.23 -2.06 0.88 0.00 1.01 0.00 0.00 42.92 42.52 1jqb s ASP 3089CO 0.62 -0.55 1.62 0.79 0.21 0.00 0.00 175.17 177.86 1jqb n TRP 3090N 5.02 0.58 -2.93 4.23 7.02 -1.26 -3.65 117.44 126.46 1jqb n TRP 3090Ca -0.11 0.24 -0.43 0.00 -1.02 0.00 0.00 57.50 56.18 1jqb n TRP 3090Cb 0.44 -0.88 0.01 0.00 -2.42 0.00 0.00 31.31 28.45 1jqb n TRP 3090CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1jqb n ARG 3091N -2.04 4.56 -3.97 -0.99 1.74 -1.26 -4.83 116.66 109.87 1jqb n ARG 3091Ca 0.02 -4.52 -0.08 0.00 -0.77 0.00 0.00 57.85 52.50 1jqb n ARG 3091Cb 0.19 -2.52 -0.09 0.00 -1.02 0.00 0.00 32.46 29.01 1jqb n ARG 3091CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1jqb s SER 3092N -1.65 0.29 0.40 0.55 1.04 -1.24 -5.02 113.70 108.08 1jqb s SER 3092Ca 0.32 -0.79 0.21 0.00 0.48 0.00 0.00 55.95 56.18 1jqb s SER 3092Cb 0.07 0.26 0.78 0.00 0.10 0.00 0.00 66.02 67.22 1jqb s SER 3092CO 0.08 -0.63 1.77 -0.07 0.98 0.00 0.00 173.24 175.37 1jqb h LEU 3093N 3.08 0.00 -0.78 2.42 3.38 -1.93 -2.42 115.31 119.07 1jqb h LEU 3093Ca -0.34 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.53 1jqb h LEU 3093Cb 1.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1jqb h LEU 3093CO 0.60 0.31 -0.20 -0.33 0.09 0.00 0.00 178.44 178.90 1jqb h GLU 3094N 0.00 0.70 -0.30 1.13 3.07 -1.87 0.93 114.58 118.24 1jqb h GLU 3094Ca -0.00 -0.27 -0.06 0.00 -0.50 0.00 0.00 59.36 58.53 1jqb h GLU 3094Cb 0.83 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.69 1jqb h GLU 3094CO 0.04 0.85 -0.05 0.28 -1.40 0.00 0.00 179.01 178.74 1jqb h VAL 3095N 0.62 1.27 -0.01 3.13 2.07 -1.64 0.13 116.25 121.82 1jqb h VAL 3095Ca 0.09 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1jqb h VAL 3095Cb 0.68 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1jqb h VAL 3095CO 0.05 0.34 0.01 1.56 0.02 0.00 0.00 177.57 179.55 1jqb h GLN 3096N 0.34 0.00 -0.00 1.57 4.20 -0.95 0.85 115.11 121.13 1jqb h GLN 3096Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1jqb h GLN 3096Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1jqb h GLN 3096CO 0.02 0.00 -0.22 0.00 -0.67 0.00 0.00 178.83 177.96 1jqb n ALA 3097N -2.40 2.93 -0.17 3.87 0.00 0.27 -4.94 120.51 120.09 1jqb n ALA 3097Ca -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1jqb n ALA 3097Cb 0.10 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1jqb n ALA 3097CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jqb n GLY 3098N 1.41 0.90 2.53 0.00 0.00 0.29 -5.05 105.19 105.28 1jqb n GLY 3098Ca 0.10 -0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 1jqb n GLY 3098CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jqb s PHE 3099N -2.00 1.74 0.31 1.61 0.08 0.34 -4.95 117.98 115.10 1jqb s PHE 3099Ca 0.00 -2.57 0.03 0.00 0.12 0.00 0.00 56.93 54.51 1jqb s PHE 3099Cb 0.00 -1.40 0.60 0.00 -0.57 0.00 0.00 43.02 41.65 1jqb s PHE 3099CO 0.00 -0.76 1.90 -0.56 -0.10 0.00 0.00 175.22 175.71 1jqb h GLN 3100N 5.66 0.92 -0.11 0.44 3.07 -1.87 -2.27 115.11 120.95 1jqb h GLN 3100Ca 0.22 -0.06 0.03 0.00 0.09 0.00 0.00 58.65 58.94 1jqb h GLN 3100Cb 0.87 -0.21 -0.00 0.00 0.08 0.00 0.00 27.48 28.22 1jqb h GLN 3100CO 0.46 0.61 0.17 1.96 0.09 0.00 0.00 178.83 182.12 1jqb h GLN 3101N 0.94 0.00 -0.21 0.06 7.50 -1.92 -2.43 115.11 119.05 1jqb h GLN 3101Ca 0.40 0.00 -0.14 0.00 0.50 0.00 0.00 58.65 59.41 1jqb h GLN 3101Cb 0.32 0.00 -0.10 0.00 0.05 0.00 0.00 27.48 27.75 1jqb h GLN 3101CO -0.16 0.00 -0.47 0.72 -1.50 0.00 0.00 178.83 177.41 1jqb n HIS 3102N -3.53 0.72 -1.84 2.96 8.25 -0.85 -0.90 115.22 120.03 1jqb n HIS 3102Ca -0.00 -1.67 -0.42 0.00 -0.26 0.00 0.00 57.72 55.36 1jqb n HIS 3102Cb 0.27 -0.32 -0.03 0.00 1.12 0.00 0.00 29.99 31.03 1jqb n HIS 3102CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1jqb s SER 3103N -3.17 6.56 -1.32 0.41 1.04 -0.91 -1.75 113.70 114.55 1jqb s SER 3103Ca 0.42 2.46 0.00 0.00 0.48 0.00 0.00 55.95 59.31 1jqb s SER 3103Cb 0.39 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.97 1jqb s SER 3103CO -0.04 -0.98 0.00 0.59 0.98 0.00 0.00 173.24 173.79 1jqb n ASN 3104N 7.17 -4.45 0.00 7.02 3.02 -1.26 -4.02 115.26 122.74 1jqb n ASN 3104Ca 0.18 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.94 1jqb n ASN 3104Cb 0.42 -3.31 0.00 0.00 -0.61 0.00 0.00 39.78 36.27 1jqb n ASN 3104CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jqb n GLY 3105N -1.22 4.25 3.66 7.41 0.00 -0.71 -4.89 105.19 113.69 1jqb n GLY 3105Ca -0.14 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 1jqb n GLY 3105CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1jqb s MET 3106N -3.09 4.13 0.00 1.61 1.75 -1.26 -1.37 119.30 121.06 1jqb s MET 3106Ca 0.00 2.55 0.00 0.00 -1.25 0.00 0.00 55.69 56.99 1jqb s MET 3106Cb 0.00 -4.14 0.00 0.00 2.84 0.00 0.00 34.83 33.53 1jqb s MET 3106CO 0.00 -0.96 0.00 1.28 -0.65 0.00 0.00 175.02 174.69 1jqb n LEU 3107N 7.55 0.51 0.18 4.11 4.77 -1.24 -4.86 117.00 128.02 1jqb n LEU 3107Ca 0.20 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.31 1jqb n LEU 3107Cb 0.41 -0.96 0.63 0.00 -2.33 0.00 0.00 43.42 41.17 1jqb n LEU 3107CO 0.67 -0.32 0.89 0.00 -1.33 0.00 0.00 177.39 177.30 1jqb h ALA 3108N 0.00 1.00 0.00 -1.18 0.00 -1.26 -0.60 119.26 117.22 1jqb h ALA 3108Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1jqb h ALA 3108Cb 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1jqb h ALA 3108CO 0.00 0.00 -0.17 0.78 0.00 0.00 0.00 179.25 179.86 1jqb h GLY 3109N 0.98 0.00 -7.33 0.00 0.00 -1.16 -3.38 103.07 92.19 1jqb h GLY 3109Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.64 1jqb h GLY 3109CO 0.00 0.00 -0.15 0.86 0.00 0.00 0.00 176.54 177.25 1jqb s TRP 3110N -3.82 3.15 -0.21 5.60 -0.00 -0.23 -1.51 118.94 121.91 1jqb s TRP 3110Ca -0.01 -0.43 -0.17 0.00 -0.00 0.00 0.00 56.10 55.49 1jqb s TRP 3110Cb 0.11 -3.07 -0.08 0.00 -0.00 0.00 0.00 33.47 30.43 1jqb s TRP 3110CO 0.60 -0.78 -0.35 1.63 -0.00 0.00 0.00 176.95 178.05 1jqb n LYS 3111N 5.72 0.54 -1.65 5.86 5.02 -1.26 -4.66 118.16 127.73 1jqb n LYS 3111Ca -0.07 0.22 -0.57 0.00 -2.02 0.00 0.00 58.31 55.88 1jqb n LYS 3111Cb 0.47 -1.44 -0.07 0.00 -0.02 0.00 0.00 35.03 33.96 1jqb n LYS 3111CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1jqb n PHE 3112N -4.38 1.96 -1.42 2.13 3.72 -1.26 -0.49 117.46 117.73 1jqb n PHE 3112Ca -0.27 0.50 -0.14 0.00 -0.05 0.00 0.00 57.45 57.49 1jqb n PHE 3112Cb 0.64 -2.47 -0.06 0.00 -0.94 0.00 0.00 39.48 36.65 1jqb n PHE 3112CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1jqb n SER 3113N 6.17 -4.93 -0.03 4.37 3.41 -0.17 -4.62 113.62 117.81 1jqb n SER 3113Ca 0.30 0.35 -0.05 0.00 -0.26 0.00 0.00 58.87 59.22 1jqb n SER 3113Cb 0.14 -3.69 -0.02 0.00 -0.26 0.00 0.00 64.21 60.38 1jqb n SER 3113CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1jqb n ASN 3114N -0.56 1.40 0.00 4.04 2.85 0.36 -4.91 115.26 118.43 1jqb n ASN 3114Ca -0.14 0.22 0.00 0.00 -0.11 0.00 0.00 54.58 54.55 1jqb n ASN 3114Cb 0.50 -0.55 0.00 0.00 1.24 0.00 0.00 39.78 40.98 1jqb n ASN 3114CO 0.00 0.00 0.00 2.22 -2.11 0.00 0.00 177.26 177.37 1jqb n PHE 3115N -3.87 0.00 -4.46 1.20 1.16 -1.00 -5.07 117.46 105.43 1jqb n PHE 3115Ca -0.07 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.20 1jqb n PHE 3115Cb 0.28 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.04 1jqb n PHE 3115CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 1jqb s LYS 3116N 0.00 2.30 0.26 3.97 2.20 -0.86 -5.06 119.74 122.55 1jqb s LYS 3116Ca 0.00 -0.88 -0.31 0.00 -0.36 0.00 0.00 55.97 54.43 1jqb s LYS 3116Cb 0.00 -2.36 -0.13 0.00 -1.51 0.00 0.00 37.83 33.83 1jqb s LYS 3116CO 0.00 0.56 1.39 -0.25 -0.36 0.00 0.00 175.35 176.69 1jqb n ASP 3117N 1.33 2.79 -2.78 1.43 8.00 -1.26 -1.00 116.55 125.05 1jqb n ASP 3117Ca -0.15 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.50 1jqb n ASP 3117Cb 0.52 -1.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 1jqb n ASP 3117CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jqb n GLY 3118N 1.91 -0.87 1.07 0.44 0.00 0.43 -4.50 105.19 103.67 1jqb n GLY 3118Ca 0.10 -1.63 0.12 0.00 0.00 0.00 0.00 46.02 44.61 1jqb n GLY 3118CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jqb n VAL 3119N -0.48 0.45 -1.45 1.61 0.24 0.48 -4.53 118.33 114.66 1jqb n VAL 3119Ca 0.00 -0.69 -0.27 0.00 -2.04 0.00 0.00 64.34 61.34 1jqb n VAL 3119Cb 0.00 0.91 -0.07 0.00 -1.47 0.00 0.00 33.84 33.21 1jqb n VAL 3119CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1jqb n PHE 3120N 1.34 1.50 -3.77 6.34 3.72 -0.08 -4.83 117.46 121.67 1jqb n PHE 3120Ca 0.19 -2.17 -0.11 0.00 -0.05 0.00 0.00 57.45 55.31 1jqb n PHE 3120Cb 0.57 -1.68 -0.07 0.00 -0.94 0.00 0.00 39.48 37.36 1jqb n PHE 3120CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1jqb s GLY 3121N 1.03 -0.09 0.49 1.37 0.00 -1.26 0.61 107.32 109.47 1jqb s GLY 3121Ca 0.61 -0.13 0.33 0.00 0.00 0.00 0.00 44.72 45.53 1jqb s GLY 3121CO -0.12 -0.35 1.73 0.83 0.00 0.00 0.00 173.10 175.20 1jqb h GLU 3122N 3.08 0.11 -2.97 2.90 5.08 -1.88 -3.41 114.58 117.48 1jqb h GLU 3122Ca -0.32 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 57.92 1jqb h GLU 3122Cb 1.20 -0.02 -0.20 0.00 0.50 0.00 0.00 28.75 30.23 1jqb h GLU 3122CO 0.48 0.07 -0.23 0.71 -1.00 0.00 0.00 179.01 179.04 1jqb s TYR 3123N -5.13 -0.21 0.06 4.33 2.02 -1.26 -4.29 117.35 112.86 1jqb s TYR 3123Ca -0.06 0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.95 1jqb s TYR 3123Cb 0.25 0.12 -0.04 0.00 -0.40 0.00 0.00 41.96 41.90 1jqb s TYR 3123CO 0.82 -0.42 -0.04 -0.59 -1.57 0.00 0.00 175.55 173.75 1jqb s PHE 3124N -1.43 0.63 -0.11 2.71 -0.71 -0.63 -4.79 117.98 113.64 1jqb s PHE 3124Ca -0.13 -0.96 -0.12 0.00 -1.04 0.00 0.00 56.93 54.68 1jqb s PHE 3124Cb -0.04 -0.42 -0.05 0.00 -1.21 0.00 0.00 43.02 41.30 1jqb s PHE 3124CO 0.04 -0.28 0.28 -1.58 -1.34 0.00 0.00 175.22 172.34 1jqb s HIS 3125N -3.57 3.55 -0.21 3.49 5.65 -1.26 -1.53 115.29 121.41 1jqb s HIS 3125Ca 0.06 0.67 0.02 0.00 0.25 0.00 0.00 55.06 56.06 1jqb s HIS 3125Cb 0.05 -2.24 0.04 0.00 -1.18 0.00 0.00 32.58 29.25 1jqb s HIS 3125CO -0.07 0.44 -0.14 0.08 -0.65 0.00 0.00 174.74 174.40 1jqb s VAL 3126N -0.22 1.98 0.18 0.89 1.01 -0.49 -5.00 120.40 118.74 1jqb s VAL 3126Ca 0.18 -1.19 -0.30 0.00 0.00 0.00 0.00 61.98 60.66 1jqb s VAL 3126Cb -0.14 -1.96 -0.08 0.00 0.00 0.00 0.00 36.38 34.20 1jqb s VAL 3126CO 0.06 0.25 1.18 0.54 0.00 0.00 0.00 175.10 177.12 1jqb s ASN 3127N 1.26 7.12 -0.50 3.32 4.22 -1.26 -2.22 114.94 126.87 1jqb s ASN 3127Ca -0.01 2.19 -0.22 0.00 -2.14 0.00 0.00 52.86 52.68 1jqb s ASN 3127Cb -0.16 -2.60 0.03 0.00 1.28 0.00 0.00 41.25 39.79 1jqb s ASN 3127CO -0.09 -0.35 0.63 -0.67 -2.04 0.00 0.00 177.10 174.59 1jqb n ASP 3128N 2.56 -6.83 -0.08 3.54 -0.08 -1.12 -4.57 116.55 109.97 1jqb n ASP 3128Ca 0.04 0.12 -0.07 0.00 -1.51 0.00 0.00 54.79 53.37 1jqb n ASP 3128Cb 0.45 -3.77 0.00 0.00 2.34 0.00 0.00 41.12 40.14 1jqb n ASP 3128CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jqb h ALA 3129N 1.84 0.28 0.00 -1.67 0.00 -1.35 -0.75 119.26 117.61 1jqb h ALA 3129Ca -0.25 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1jqb h ALA 3129Cb 1.18 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1jqb h ALA 3129CO 0.23 -0.39 -0.03 -0.44 0.00 0.00 0.00 179.25 178.63 1jqb h ASP 3130N 0.12 0.00 0.32 0.00 3.32 -1.91 -2.08 116.42 116.19 1jqb h ASP 3130Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1jqb h ASP 3130Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1jqb h ASP 3130CO -0.22 0.03 -1.64 0.23 -1.72 0.00 0.00 179.24 175.92 1jqb n MET 3131N -4.22 0.62 -0.02 3.56 2.81 -0.99 -4.59 117.12 114.29 1jqb n MET 3131Ca -0.03 -0.09 0.02 0.00 -1.81 0.00 0.00 57.70 55.79 1jqb n MET 3131Cb 0.12 -1.62 0.03 0.00 -0.71 0.00 0.00 33.22 31.04 1jqb n MET 3131CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1jqb n ASN 3132N -2.37 1.95 -4.39 7.83 3.02 -0.32 -0.21 115.26 120.77 1jqb n ASN 3132Ca -0.02 -2.18 -0.22 0.00 -0.03 0.00 0.00 54.58 52.13 1jqb n ASN 3132Cb 0.56 -0.09 -0.10 0.00 -0.61 0.00 0.00 39.78 39.53 1jqb n ASN 3132CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1jqb s LEU 3133N -1.32 2.52 0.00 3.41 1.43 -0.80 -4.30 118.68 119.62 1jqb s LEU 3133Ca 0.07 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 1jqb s LEU 3133Cb 0.06 -0.90 -0.00 0.00 0.03 0.00 0.00 46.19 45.37 1jqb s LEU 3133CO 0.01 -0.04 -0.01 0.00 0.23 0.00 0.00 176.35 176.54 1jqb s ALA 3134N -2.45 0.09 0.22 4.21 0.00 -1.07 -4.52 121.76 118.24 1jqb s ALA 3134Ca 0.23 -0.12 -0.30 0.00 0.00 0.00 0.00 51.96 51.77 1jqb s ALA 3134Cb -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 23.12 22.99 1jqb s ALA 3134CO 0.10 -0.00 1.33 0.42 0.00 0.00 0.00 175.76 177.61 1jqb s ILE 3135N -0.21 3.06 -0.22 0.00 -1.09 -1.26 0.10 121.20 121.57 1jqb s ILE 3135Ca -0.02 0.89 -0.25 0.00 -2.23 0.00 0.00 60.65 59.05 1jqb s ILE 3135Cb -0.02 -3.57 -0.01 0.00 -1.58 0.00 0.00 42.46 37.29 1jqb s ILE 3135CO -0.00 0.14 0.84 -0.22 -1.23 0.00 0.00 174.94 174.47 1jqb s LEU 3136N -0.33 4.11 0.45 2.97 2.96 -0.42 -4.67 118.68 123.75 1jqb s LEU 3136Ca 0.56 1.09 -0.25 0.00 -0.22 0.00 0.00 54.13 55.31 1jqb s LEU 3136Cb -0.38 -3.21 -0.09 0.00 0.50 0.00 0.00 46.19 43.01 1jqb s LEU 3136CO 0.40 -0.48 1.33 -2.65 -1.32 0.00 0.00 176.35 173.63 1jqb n PRO 3137N 5.78 2.01 0.23 0.98 -0.02 -1.26 -4.86 135.00 137.86 1jqb n PRO 3137Ca 0.05 0.72 0.08 0.00 -2.02 0.00 0.00 63.50 62.33 1jqb n PRO 3137Cb 0.48 -2.48 0.55 0.00 -0.02 0.00 0.00 33.50 32.03 1jqb n PRO 3137CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1jqb h LYS 3138N 2.08 0.00 0.00 -0.52 2.10 -1.98 -2.96 116.57 115.28 1jqb h LYS 3138Ca -0.49 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.15 1jqb h LYS 3138Cb 1.29 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1jqb h LYS 3138CO 0.60 0.22 -0.71 -0.44 -2.00 0.00 0.00 179.45 177.12 1jqb h ASP 3139N 0.00 0.00 -2.76 7.07 3.32 -2.04 -3.47 116.42 118.53 1jqb h ASP 3139Ca -0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 1jqb h ASP 3139Cb 0.48 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.03 1jqb h ASP 3139CO 0.03 0.04 0.94 -0.32 -1.72 0.00 0.00 179.24 178.21 1jqb s MET 3140N -3.29 4.23 0.35 3.56 1.75 -1.12 -4.97 119.30 119.81 1jqb s MET 3140Ca 0.02 2.18 -0.28 0.00 -1.25 0.00 0.00 55.69 56.35 1jqb s MET 3140Cb 0.08 -3.62 -0.12 0.00 2.84 0.00 0.00 34.83 34.01 1jqb s MET 3140CO 0.75 -0.69 1.43 -2.30 -0.65 0.00 0.00 175.02 173.57 1jqb n PRO 3141N 5.66 2.48 -0.18 4.11 -0.02 -1.26 -4.86 135.00 140.92 1jqb n PRO 3141Ca 0.15 0.87 -0.06 0.00 -2.02 0.00 0.00 63.50 62.44 1jqb n PRO 3141Cb 0.42 -2.56 0.03 0.00 -0.02 0.00 0.00 33.50 31.37 1jqb n PRO 3141CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1jqb h LEU 3142N 3.03 0.58 -1.45 2.45 3.38 -1.97 -1.81 115.31 119.51 1jqb h LEU 3142Ca -0.49 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 1jqb h LEU 3142Cb 1.25 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1jqb h LEU 3142CO 0.65 0.42 0.26 -0.33 0.09 0.00 0.00 178.44 179.53 1jqb h GLU 3143N 0.69 0.63 -0.09 1.13 3.07 -1.98 -2.12 114.58 115.91 1jqb h GLU 3143Ca 0.20 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.36 58.94 1jqb h GLU 3143Cb -0.05 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 27.73 1jqb h GLU 3143CO -0.06 0.46 -0.19 -0.91 -1.40 0.00 0.00 179.01 176.91 1jqb h ASN 3144N 0.64 0.33 -0.73 1.42 4.21 -1.82 -3.20 115.58 116.43 1jqb h ASN 3144Ca 0.17 -0.56 0.10 0.00 1.21 0.00 0.00 56.30 57.21 1jqb h ASN 3144Cb 0.01 -0.09 -0.05 0.00 -1.12 0.00 0.00 38.32 37.06 1jqb h ASN 3144CO -0.03 0.83 0.48 0.00 -1.29 0.00 0.00 177.43 177.42 1jqb h ALA 3145N 0.51 1.88 -0.18 -0.83 0.00 -0.97 -1.16 119.26 118.50 1jqb h ALA 3145Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1jqb h ALA 3145Cb 0.78 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1jqb h ALA 3145CO 0.04 -0.03 -0.05 0.28 0.00 0.00 0.00 179.25 179.49 1jqb h VAL 3146N 0.60 1.15 0.00 0.00 2.07 -1.39 -2.00 116.25 116.67 1jqb h VAL 3146Ca 0.34 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1jqb h VAL 3146Cb 0.51 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1jqb h VAL 3146CO -0.12 0.20 0.00 0.24 0.02 0.00 0.00 177.57 177.91 1jqb h MET 3147N 0.27 0.00 -0.11 1.57 2.07 -1.26 -2.78 114.93 114.68 1jqb h MET 3147Ca 0.06 0.00 -0.19 0.00 -2.07 0.00 0.00 59.70 57.50 1jqb h MET 3147Cb 0.26 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 30.00 1jqb h MET 3147CO 0.01 0.00 -0.67 0.82 1.07 0.00 0.00 176.91 178.14 1jqb h ILE 3148N 0.00 1.33 -0.93 -1.22 2.04 -1.43 -0.28 117.51 117.01 1jqb h ILE 3148Ca 0.00 -1.94 0.25 0.00 1.00 0.00 0.00 64.86 64.18 1jqb h ILE 3148Cb 0.24 2.15 -0.05 0.00 -0.74 0.00 0.00 36.82 38.42 1jqb h ILE 3148CO 0.00 0.60 0.65 0.71 0.00 0.00 0.00 178.15 180.11 1jqb h THR 3149N 0.30 0.57 0.00 -0.27 1.35 -1.59 -3.23 112.91 110.04 1jqb h THR 3149Ca -0.05 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1jqb h THR 3149Cb 1.31 0.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1jqb h THR 3149CO 0.14 0.02 0.00 -0.67 -0.25 0.00 0.00 175.52 174.76 1jqb n ASP 3150N -4.35 -0.26 -0.01 5.36 2.03 -1.25 -1.29 116.55 116.78 1jqb n ASP 3150Ca 0.20 0.18 -0.10 0.00 0.52 0.00 0.00 54.79 55.59 1jqb n ASP 3150Cb 0.92 0.36 -0.04 0.00 -0.72 0.00 0.00 41.12 41.63 1jqb n ASP 3150CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1jqb h MET 3151N 0.00 0.01 0.16 -0.67 2.86 -1.74 0.07 114.93 115.61 1jqb h MET 3151Ca 0.00 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1jqb h MET 3151Cb 0.00 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1jqb h MET 3151CO 0.00 0.00 -0.08 1.98 1.06 0.00 0.00 176.91 179.88 1jqb h MET 3152N 0.01 -0.21 -0.46 1.72 1.85 -1.20 -1.31 114.93 115.33 1jqb h MET 3152Ca 0.06 0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.16 1jqb h MET 3152Cb 0.09 0.05 -0.02 0.00 0.43 0.00 0.00 31.60 32.14 1jqb h MET 3152CO -0.12 0.14 0.26 0.00 -0.40 0.00 0.00 176.91 176.79 1jqb h THR 3153N -0.58 1.14 -0.01 -0.77 1.03 -1.56 -0.37 112.91 111.78 1jqb h THR 3153Ca -0.02 -0.33 -0.02 0.00 -0.01 0.00 0.00 66.41 66.03 1jqb h THR 3153Cb 0.44 0.50 0.00 0.00 -1.07 0.00 0.00 68.15 68.03 1jqb h THR 3153CO 0.04 0.15 -0.08 0.74 -0.01 0.00 0.00 175.52 176.35 1jqb h THR 3154N 0.63 1.52 -0.56 0.00 2.02 -0.96 -1.44 112.91 114.13 1jqb h THR 3154Ca 0.17 -1.65 -0.01 0.00 0.77 0.00 0.00 66.41 65.69 1jqb h THR 3154Cb -0.00 2.58 -0.03 0.00 -1.74 0.00 0.00 68.15 68.96 1jqb h THR 3154CO -0.03 0.44 0.32 1.23 0.37 0.00 0.00 175.52 177.85 1jqb h GLY 3155N -0.56 0.82 1.11 2.16 0.00 -1.08 -1.84 103.07 103.67 1jqb h GLY 3155Ca -0.01 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 46.87 1jqb h GLY 3155CO 0.02 0.34 0.01 0.74 0.00 0.00 0.00 176.54 177.66 1jqb h PHE 3156N 0.75 1.16 -0.03 5.60 -1.00 -1.15 -1.88 116.94 120.40 1jqb h PHE 3156Ca 0.20 -0.19 -0.00 0.00 2.81 0.00 0.00 57.97 60.79 1jqb h PHE 3156Cb 0.01 -0.31 -0.00 0.00 3.61 0.00 0.00 35.95 39.27 1jqb h PHE 3156CO -0.02 1.01 0.02 1.25 -1.61 0.00 0.00 178.31 178.96 1jqb h HIS 3157N 0.98 0.03 -0.61 -0.55 2.76 -0.91 0.28 115.15 117.13 1jqb h HIS 3157Ca 0.18 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.26 1jqb h HIS 3157Cb 0.54 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.47 1jqb h HIS 3157CO 0.04 0.02 0.05 0.78 -1.30 0.00 0.00 177.93 177.52 1jqb h GLY 3158N 0.04 1.13 1.65 5.26 0.00 -0.53 -0.04 103.07 110.58 1jqb h GLY 3158Ca 0.01 -0.79 -0.15 0.00 0.00 0.00 0.00 47.33 46.40 1jqb h GLY 3158CO -0.00 0.73 -0.58 0.00 0.00 0.00 0.00 176.54 176.69 1jqb h ALA 3159N 1.01 0.80 0.01 3.60 0.00 -0.48 -2.65 119.26 121.55 1jqb h ALA 3159Ca 0.18 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1jqb h ALA 3159Cb 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1jqb h ALA 3159CO 0.02 0.71 -0.01 0.93 0.00 0.00 0.00 179.25 180.90 1jqb h GLU 3160N 0.27 -0.02 -0.77 0.00 5.08 -0.27 -3.06 114.58 115.82 1jqb h GLU 3160Ca -0.00 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1jqb h GLU 3160Cb 1.09 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.30 1jqb h GLU 3160CO 0.10 0.33 0.50 -0.07 -1.00 0.00 0.00 179.01 178.87 1jqb h LEU 3161N -0.37 0.67 -1.23 1.33 4.07 -1.03 -1.55 115.31 117.21 1jqb h LEU 3161Ca -0.00 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1jqb h LEU 3161Cb 0.36 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 41.96 1jqb h LEU 3161CO 0.00 0.42 0.00 0.00 -1.08 0.00 0.00 178.44 177.78 1jqb h ALA 3162N 1.60 1.00 -6.30 1.53 0.00 -1.37 -3.47 119.26 112.25 1jqb h ALA 3162Ca 0.34 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.83 1jqb h ALA 3162Cb 0.35 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.20 1jqb h ALA 3162CO -0.12 0.00 -0.90 -3.47 0.00 0.00 0.00 179.25 174.76 1jqb n ASP 3163N -2.36 -5.35 -4.76 0.00 2.03 -0.58 -4.79 116.55 100.73 1jqb n ASP 3163Ca 0.00 -0.98 -0.39 0.00 0.52 0.00 0.00 54.79 53.94 1jqb n ASP 3163Cb 0.14 -3.14 -0.04 0.00 -0.72 0.00 0.00 41.12 37.36 1jqb n ASP 3163CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1jqb s ILE 3164N -3.38 3.57 0.26 5.18 1.01 -1.26 -5.05 121.20 121.52 1jqb s ILE 3164Ca 0.40 1.49 0.08 0.00 0.00 0.00 0.00 60.65 62.61 1jqb s ILE 3164Cb -0.15 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1jqb s ILE 3164CO 0.87 0.29 0.13 -1.61 0.00 0.00 0.00 174.94 174.61 1jqb s GLU 3165N -1.67 2.70 0.00 2.79 2.02 -1.26 -4.91 118.70 118.38 1jqb s GLU 3165Ca 0.47 -1.18 -0.32 0.00 0.02 0.00 0.00 54.97 53.97 1jqb s GLU 3165Cb -0.29 -2.42 -0.10 0.00 0.10 0.00 0.00 34.13 31.41 1jqb s GLU 3165CO 0.38 0.39 1.93 -1.33 0.02 0.00 0.00 175.26 176.64 1jqb n MET 3166N -1.07 2.62 -0.39 1.61 2.81 -1.26 -1.22 117.12 120.21 1jqb n MET 3166Ca -0.07 0.96 0.00 0.00 -1.81 0.00 0.00 57.70 56.78 1jqb n MET 3166Cb 0.58 -2.87 0.00 0.00 -0.71 0.00 0.00 33.22 30.22 1jqb n MET 3166CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jqb n GLY 3167N 4.46 0.91 3.68 3.03 0.00 0.59 -4.95 105.19 112.91 1jqb n GLY 3167Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1jqb n GLY 3167CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jqb n SER 3168N 0.00 1.64 -4.80 1.61 7.64 -0.36 -3.90 113.62 115.45 1jqb n SER 3168Ca 0.00 0.85 -0.37 0.00 1.01 0.00 0.00 58.87 60.36 1jqb n SER 3168Cb 0.00 -1.49 -0.06 0.00 -1.01 0.00 0.00 64.21 61.65 1jqb n SER 3168CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1jqb s SER 3169N -1.24 6.60 -0.00 6.43 1.04 -1.26 0.14 113.70 125.41 1jqb s SER 3169Ca 0.78 0.71 0.03 0.00 0.48 0.00 0.00 55.95 57.95 1jqb s SER 3169Cb -0.40 -2.20 -0.01 0.00 0.10 0.00 0.00 66.02 63.51 1jqb s SER 3169CO 0.45 0.24 -0.09 -0.69 0.98 0.00 0.00 173.24 174.12 1jqb s VAL 3170N -0.40 0.68 -0.12 5.02 1.01 0.12 -1.78 120.40 124.93 1jqb s VAL 3170Ca 0.20 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.76 1jqb s VAL 3170Cb -0.14 -0.59 -0.00 0.00 0.00 0.00 0.00 36.38 35.64 1jqb s VAL 3170CO 0.08 0.14 -0.19 -0.69 0.00 0.00 0.00 175.10 174.45 1jqb s VAL 3171N -0.31 2.48 -0.34 2.92 1.01 -0.63 0.33 120.40 125.88 1jqb s VAL 3171Ca 0.02 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 1jqb s VAL 3171Cb -0.04 -2.01 0.06 0.00 0.00 0.00 0.00 36.38 34.40 1jqb s VAL 3171CO -0.00 0.54 0.07 -0.69 0.00 0.00 0.00 175.10 175.02 1jqb s VAL 3172N 0.49 3.22 -0.44 2.92 1.01 0.17 -0.72 120.40 127.06 1jqb s VAL 3172Ca -0.13 -1.51 -0.28 0.00 0.00 0.00 0.00 61.98 60.07 1jqb s VAL 3172Cb -0.17 -2.94 0.03 0.00 0.00 0.00 0.00 36.38 33.30 1jqb s VAL 3172CO 0.05 -0.27 1.04 -0.63 0.00 0.00 0.00 175.10 175.29 1jqb s ILE 3173N 1.25 4.37 0.00 2.22 1.01 -0.27 -1.76 121.20 128.02 1jqb s ILE 3173Ca -0.01 1.15 0.00 0.00 0.00 0.00 0.00 60.65 61.79 1jqb s ILE 3173Cb -0.20 -4.50 0.00 0.00 0.01 0.00 0.00 42.46 37.77 1jqb s ILE 3173CO -0.01 -0.83 0.00 0.61 0.00 0.00 0.00 174.94 174.71 1jqb n GLY 3174N 4.69 1.83 2.09 6.18 0.00 -0.53 -1.28 105.19 118.17 1jqb n GLY 3174Ca 0.10 -1.26 -0.23 0.00 0.00 0.00 0.00 46.02 44.63 1jqb n GLY 3174CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jqb n ILE 3175N 2.52 2.47 -1.60 -0.61 -5.35 -1.18 -4.15 119.36 111.45 1jqb n ILE 3175Ca 0.00 -4.22 -0.19 0.00 -0.27 0.00 0.00 62.75 58.08 1jqb n ILE 3175Cb 0.00 -1.05 0.13 0.00 -1.74 0.00 0.00 39.64 36.98 1jqb n ILE 3175CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jqb n GLY 3176N -0.69 -1.35 0.35 3.28 0.00 -1.26 -4.46 105.19 101.07 1jqb n GLY 3176Ca 0.42 -1.70 -0.01 0.00 0.00 0.00 0.00 46.02 44.73 1jqb n GLY 3176CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqb h ALA 3177N -1.85 0.21 -0.44 4.61 0.00 -1.96 0.81 119.26 120.64 1jqb h ALA 3177Ca -0.28 0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1jqb h ALA 3177Cb 0.76 0.84 -0.04 0.00 0.00 0.00 0.00 17.79 19.35 1jqb h ALA 3177CO 0.19 -0.58 0.18 0.28 0.00 0.00 0.00 179.25 179.33 1jqb h VAL 3178N -0.05 0.90 -0.49 0.00 2.07 -1.90 -1.40 116.25 115.38 1jqb h VAL 3178Ca 0.33 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.65 1jqb h VAL 3178Cb 0.59 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1jqb h VAL 3178CO -0.86 0.07 0.03 1.23 0.02 0.00 0.00 177.57 178.05 1jqb h GLY 3179N 0.37 0.86 1.06 2.17 0.00 -1.28 -0.13 103.07 106.12 1jqb h GLY 3179Ca 0.20 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 1jqb h GLY 3179CO -0.18 0.52 0.44 1.41 0.00 0.00 0.00 176.54 178.73 1jqb h LEU 3180N 0.75 1.10 -0.70 3.11 3.38 -0.36 0.19 115.31 122.78 1jqb h LEU 3180Ca 0.15 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1jqb h LEU 3180Cb 0.42 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1jqb h LEU 3180CO 0.01 0.90 -0.64 0.24 0.09 0.00 0.00 178.44 179.05 1jqb h MET 3181N 1.22 0.05 -0.55 1.13 2.86 -0.81 -1.53 114.93 117.30 1jqb h MET 3181Ca 0.30 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.86 1jqb h MET 3181Cb 0.07 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 1jqb h MET 3181CO -0.04 0.67 0.14 0.78 1.06 0.00 0.00 176.91 179.51 1jqb h GLY 3182N 1.83 0.90 0.72 8.32 0.00 0.16 0.37 103.07 115.37 1jqb h GLY 3182Ca -0.01 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 46.75 1jqb h GLY 3182CO 0.09 0.48 -0.15 -2.22 0.00 0.00 0.00 176.54 174.73 1jqb h ILE 3183N 0.81 1.36 -0.74 2.60 2.04 -0.74 0.07 117.51 122.91 1jqb h ILE 3183Ca 0.18 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.68 1jqb h ILE 3183Cb 0.28 1.94 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 1jqb h ILE 3183CO -0.00 0.39 0.40 0.00 0.00 0.00 0.00 178.15 178.94 1jqb h ALA 3184N 0.58 0.95 -0.52 1.87 0.00 -1.02 -1.43 119.26 119.69 1jqb h ALA 3184Ca 0.02 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1jqb h ALA 3184Cb 0.69 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1jqb h ALA 3184CO 0.04 0.46 -0.07 0.78 0.00 0.00 0.00 179.25 180.46 1jqb h GLY 3185N 1.02 1.02 1.11 0.00 0.00 -0.21 -1.49 103.07 104.52 1jqb h GLY 3185Ca 0.26 -0.77 -0.06 0.00 0.00 0.00 0.00 47.33 46.76 1jqb h GLY 3185CO -0.04 0.71 0.22 0.00 0.00 0.00 0.00 176.54 177.43 1jqb h ALA 3186N 1.06 1.02 -0.53 3.60 0.00 -0.64 -2.10 119.26 121.68 1jqb h ALA 3186Ca 0.14 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1jqb h ALA 3186Cb 0.60 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1jqb h ALA 3186CO 0.04 0.65 0.01 -0.22 0.00 0.00 0.00 179.25 179.73 1jqb h LYS 3187N 1.07 0.89 0.00 0.00 3.64 -1.01 -2.12 116.57 119.04 1jqb h LYS 3187Ca 0.23 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1jqb h LYS 3187Cb 0.31 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1jqb h LYS 3187CO -0.01 0.88 0.00 1.28 -2.27 0.00 0.00 179.45 179.34 1jqb n LEU 3188N -4.20 0.00 -0.08 5.20 4.77 -0.58 -2.18 117.00 119.93 1jqb n LEU 3188Ca 0.03 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.02 1jqb n LEU 3188Cb 0.31 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.42 1jqb n LEU 3188CO 0.42 0.00 0.34 0.54 -1.33 0.00 0.00 177.39 177.36 1jqb n ARG 3189N -0.51 0.14 0.00 3.23 5.12 -0.85 -5.00 116.66 118.79 1jqb n ARG 3189Ca 0.00 -0.84 0.00 0.00 -1.93 0.00 0.00 57.85 55.08 1jqb n ARG 3189Cb 0.00 -1.04 0.00 0.00 -1.16 0.00 0.00 32.46 30.27 1jqb n ARG 3189CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jqb n GLY 3190N -0.00 0.80 3.60 -0.13 0.00 -0.93 -4.39 105.19 104.14 1jqb n GLY 3190Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1jqb n GLY 3190CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqb n ALA 3191N -1.99 0.08 -1.60 4.61 0.00 -0.90 -0.30 120.51 120.41 1jqb n ALA 3191Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1jqb n ALA 3191Cb 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.38 1jqb n ALA 3191CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jqb n GLY 3192N 1.27 0.66 3.72 0.00 0.00 0.12 -4.65 105.19 106.30 1jqb n GLY 3192Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1jqb n GLY 3192CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jqb s ARG 3193N 0.26 4.48 -0.21 1.61 3.52 -1.24 -4.92 118.95 122.45 1jqb s ARG 3193Ca 0.00 1.75 -0.00 0.00 -0.13 0.00 0.00 55.73 57.35 1jqb s ARG 3193Cb 0.00 -3.33 0.06 0.00 -1.56 0.00 0.00 34.95 30.12 1jqb s ARG 3193CO 0.00 -0.16 -0.04 0.42 -0.81 0.00 0.00 175.30 174.71 1jqb s ILE 3194N 0.69 1.25 -0.31 4.11 1.01 -1.25 0.16 121.20 126.86 1jqb s ILE 3194Ca 0.56 -0.96 -0.12 0.00 0.00 0.00 0.00 60.65 60.13 1jqb s ILE 3194Cb -0.29 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 1jqb s ILE 3194CO 0.31 -0.06 0.24 -0.63 0.00 0.00 0.00 174.94 174.80 1jqb s ILE 3195N 1.53 5.28 -0.08 2.92 1.01 0.15 -0.29 121.20 131.73 1jqb s ILE 3195Ca -0.03 0.01 -0.08 0.00 0.00 0.00 0.00 60.65 60.55 1jqb s ILE 3195Cb -0.18 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 1jqb s ILE 3195CO -0.07 0.10 0.21 -0.83 0.00 0.00 0.00 174.94 174.35 1jqb s GLY 3196N 1.74 2.23 -0.22 6.18 0.00 -0.21 -0.65 107.32 116.39 1jqb s GLY 3196Ca 0.07 -0.56 -0.02 0.00 0.00 0.00 0.00 44.72 44.21 1jqb s GLY 3196CO 0.11 -0.30 -0.08 0.14 0.00 0.00 0.00 173.10 172.97 1jqb s VAL 3197N -1.08 2.98 0.00 1.40 1.01 -0.72 -0.61 120.40 123.37 1jqb s VAL 3197Ca 0.19 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1jqb s VAL 3197Cb -0.13 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.87 1jqb s VAL 3197CO 0.08 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1jqb n GLY 3198N 4.73 -0.26 0.00 4.51 0.00 0.01 -1.45 105.19 112.72 1jqb n GLY 3198Ca -0.18 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1jqb n GLY 3198CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jqb n SER 3199N 0.00 1.58 -4.71 1.61 3.41 -1.26 -4.05 113.62 110.20 1jqb n SER 3199Ca 0.00 0.00 -0.56 0.00 -0.26 0.00 0.00 58.87 58.05 1jqb n SER 3199Cb 0.00 0.18 -0.07 0.00 -0.26 0.00 0.00 64.21 64.06 1jqb n SER 3199CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jqb n ARG 3200N -0.91 1.33 -0.15 4.33 1.74 -1.26 -4.79 116.66 116.95 1jqb n ARG 3200Ca 0.00 0.49 -0.04 0.00 -0.77 0.00 0.00 57.85 57.53 1jqb n ARG 3200Cb 0.14 -2.20 0.03 0.00 -1.02 0.00 0.00 32.46 29.41 1jqb n ARG 3200CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1jqb h PRO 3201N 7.54 -0.05 -0.85 5.56 0.11 -1.97 0.65 132.00 142.98 1jqb h PRO 3201Ca -0.47 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.66 1jqb h PRO 3201Cb 1.31 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.39 1jqb h PRO 3201CO 0.96 -0.04 0.56 0.97 -0.21 0.00 0.00 178.00 180.25 1jqb h ILE 3202N -0.05 1.19 -0.23 4.15 6.09 -1.88 -1.41 117.51 125.35 1jqb h ILE 3202Ca 0.23 -0.38 -0.19 0.00 -1.37 0.00 0.00 64.86 63.15 1jqb h ILE 3202Cb 0.41 -0.03 0.00 0.00 0.47 0.00 0.00 36.82 37.68 1jqb h ILE 3202CO -0.53 0.20 -0.62 0.00 -3.07 0.00 0.00 178.15 174.13 1jqb h VAL 3204N 0.60 1.18 -0.15 0.00 2.07 -0.43 0.28 116.25 119.81 1jqb h VAL 3204Ca -0.01 -0.39 -0.10 0.00 0.82 0.00 0.00 66.70 67.03 1jqb h VAL 3204Cb 1.22 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1jqb h VAL 3204CO 0.13 0.19 -0.34 -0.33 0.02 0.00 0.00 177.57 177.24 1jqb h GLU 3205N 0.88 0.30 -0.02 1.57 4.39 -1.26 -2.38 114.58 118.06 1jqb h GLU 3205Ca 0.23 -0.13 -0.15 0.00 0.34 0.00 0.00 59.36 59.66 1jqb h GLU 3205Cb -0.04 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1jqb h GLU 3205CO -0.05 0.61 -0.68 0.00 -1.16 0.00 0.00 179.01 177.74 1jqb h ALA 3206N 1.38 0.84 -0.23 3.43 0.00 -0.91 -2.39 119.26 121.38 1jqb h ALA 3206Ca 0.03 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 1jqb h ALA 3206Cb 0.73 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1jqb h ALA 3206CO 0.06 0.82 0.10 0.00 0.00 0.00 0.00 179.25 180.22 1jqb h ALA 3207N 1.25 0.29 -0.51 0.00 0.00 0.00 -1.44 119.26 118.87 1jqb h ALA 3207Ca -0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1jqb h ALA 3207Cb 1.20 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1jqb h ALA 3207CO 0.09 -0.12 0.14 0.87 0.00 0.00 0.00 179.25 180.23 1jqb h LYS 3208N 0.22 0.80 -0.83 0.00 1.57 -1.42 -0.32 116.57 116.59 1jqb h LYS 3208Ca 0.08 -0.18 0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1jqb h LYS 3208Cb 0.16 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.30 1jqb h LYS 3208CO -0.01 0.76 0.52 0.35 -0.57 0.00 0.00 179.45 180.50 1jqb h PHE 3209N 0.69 0.98 0.00 -1.35 3.57 -1.22 -1.58 116.94 118.02 1jqb h PHE 3209Ca 0.16 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1jqb h PHE 3209Cb 0.31 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1jqb h PHE 3209CO 0.02 0.53 0.00 0.66 -2.23 0.00 0.00 178.31 177.29 1jqb n TYR 3210N -4.60 0.00 0.00 0.41 4.01 -0.56 -4.89 117.16 111.53 1jqb n TYR 3210Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 1jqb n TYR 3210Cb 0.13 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 1jqb n TYR 3210CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jqb n GLY 3211N 1.04 1.00 3.71 2.72 0.00 -0.60 -3.87 105.19 109.19 1jqb n GLY 3211Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1jqb n GLY 3211CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqb n ALA 3212N 0.00 2.68 0.21 4.61 0.00 -0.17 -4.65 120.51 123.19 1jqb n ALA 3212Ca 0.00 0.41 0.11 0.00 0.00 0.00 0.00 53.44 53.96 1jqb n ALA 3212Cb 0.00 -2.51 -0.09 0.00 0.00 0.00 0.00 19.45 16.85 1jqb n ALA 3212CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jqb n THR 3213N 3.92 0.16 -3.86 0.00 -2.24 0.60 -4.47 114.28 108.40 1jqb n THR 3213Ca 0.16 -0.42 -0.11 0.00 -2.27 0.00 0.00 64.05 61.41 1jqb n THR 3213Cb 0.34 0.06 -0.10 0.00 -2.10 0.00 0.00 70.33 68.53 1jqb n THR 3213CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1jqb s ASP 3214N -4.45 -0.01 -0.04 3.42 1.11 -1.09 -4.98 116.67 110.64 1jqb s ASP 3214Ca -0.03 -0.15 0.04 0.00 0.18 0.00 0.00 52.55 52.59 1jqb s ASP 3214Cb 0.13 0.22 -0.00 0.00 1.07 0.00 0.00 42.92 44.34 1jqb s ASP 3214CO 0.86 -0.37 -0.16 -0.63 1.18 0.00 0.00 175.17 176.06 1jqb s ILE 3215N -1.32 1.31 -0.03 0.77 -1.09 -1.26 -1.04 121.20 118.53 1jqb s ILE 3215Ca -0.14 -0.66 0.03 0.00 -2.23 0.00 0.00 60.65 57.65 1jqb s ILE 3215Cb -0.07 -1.12 0.00 0.00 -1.58 0.00 0.00 42.46 39.69 1jqb s ILE 3215CO 0.02 0.38 -0.11 -0.76 -1.23 0.00 0.00 174.94 173.23 1jqb s LEU 3216N 0.01 1.81 -0.30 2.97 1.43 0.22 -4.95 118.68 119.87 1jqb s LEU 3216Ca -0.02 -0.24 -0.15 0.00 -1.03 0.00 0.00 54.13 52.69 1jqb s LEU 3216Cb -0.10 -0.67 -0.03 0.00 0.03 0.00 0.00 46.19 45.42 1jqb s LEU 3216CO 0.01 0.09 0.39 0.21 0.23 0.00 0.00 176.35 177.28 1jqb s ASN 3217N 0.17 6.24 0.51 2.29 3.84 -1.26 -0.81 114.94 125.92 1jqb s ASN 3217Ca -0.04 0.11 0.34 0.00 0.21 0.00 0.00 52.86 53.49 1jqb s ASN 3217Cb -0.10 -2.21 1.64 0.00 -0.55 0.00 0.00 41.25 40.03 1jqb s ASN 3217CO 0.01 -0.26 2.03 0.10 -2.79 0.00 0.00 177.10 176.19 1jqb h TYR 3218N 8.29 0.00 0.00 0.43 -0.00 -1.85 -2.13 116.97 121.71 1jqb h TYR 3218Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.42 1jqb h TYR 3218Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.88 1jqb h TYR 3218CO 0.74 0.00 0.00 0.87 -0.00 0.00 0.00 178.16 179.77 1jqb h LYS 3219N 0.00 0.00 0.00 0.10 1.57 -1.96 -3.08 116.57 113.20 1jqb h LYS 3219Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1jqb h LYS 3219Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1jqb h LYS 3219CO 0.00 0.00 -0.35 -0.91 -0.57 0.00 0.00 179.45 177.62 1jqb h ASN 3220N 0.00 0.00 0.00 0.86 -0.26 -1.80 -3.48 115.58 110.89 1jqb h ASN 3220Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1jqb h ASN 3220Cb 0.61 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.87 1jqb h ASN 3220CO 0.00 0.35 0.00 0.61 -1.06 0.00 0.00 177.43 177.33 1jqb n GLY 3221N 0.59 2.31 3.67 2.83 0.00 -1.16 -5.10 105.19 108.33 1jqb n GLY 3221Ca 0.01 -1.01 -0.64 0.00 0.00 0.00 0.00 46.02 44.37 1jqb n GLY 3221CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jqb n HIS 3222N -0.94 1.75 -0.12 1.61 8.25 -1.26 -4.74 115.22 119.77 1jqb n HIS 3222Ca 0.00 0.94 0.02 0.00 -0.26 0.00 0.00 57.72 58.42 1jqb n HIS 3222Cb 0.00 -2.30 0.32 0.00 1.12 0.00 0.00 29.99 29.13 1jqb n HIS 3222CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 1jqb h ILE 3223N 5.37 1.16 -0.69 1.59 3.07 -1.93 -1.20 117.51 124.88 1jqb h ILE 3223Ca -0.40 -0.33 -0.01 0.00 1.55 0.00 0.00 64.86 65.68 1jqb h ILE 3223Cb 1.36 0.32 -0.03 0.00 -0.27 0.00 0.00 36.82 38.20 1jqb h ILE 3223CO 0.99 0.16 0.41 1.05 -1.05 0.00 0.00 178.15 179.71 1jqb h GLU 3224N 0.80 0.94 -0.31 0.16 9.09 -1.87 0.25 114.58 123.64 1jqb h GLU 3224Ca 0.21 -0.08 -0.18 0.00 0.05 0.00 0.00 59.36 59.36 1jqb h GLU 3224Cb -0.06 -0.20 -0.00 0.00 -1.65 0.00 0.00 28.75 26.85 1jqb h GLU 3224CO -0.04 0.66 -0.51 -0.44 0.05 0.00 0.00 179.01 178.72 1jqb h ASP 3225N 0.95 0.99 -0.37 3.06 3.32 -1.61 -1.63 116.42 121.12 1jqb h ASP 3225Ca 0.25 -0.52 -0.02 0.00 0.02 0.00 0.00 57.03 56.76 1jqb h ASP 3225Cb -0.03 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.22 1jqb h ASP 3225CO -0.05 1.32 0.15 1.56 -1.72 0.00 0.00 179.24 180.50 1jqb h GLN 3226N 0.69 0.56 -0.54 3.56 4.20 -0.47 -2.04 115.11 121.08 1jqb h GLN 3226Ca 0.02 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1jqb h GLN 3226Cb 1.12 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.79 1jqb h GLN 3226CO 0.12 0.54 0.35 0.28 -0.67 0.00 0.00 178.83 179.45 1jqb h VAL 3227N 0.46 1.14 -0.55 -0.54 2.07 -0.49 -1.26 116.25 117.08 1jqb h VAL 3227Ca 0.12 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1jqb h VAL 3227Cb 0.19 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1jqb h VAL 3227CO -0.01 0.14 0.33 0.24 0.02 0.00 0.00 177.57 178.29 1jqb h MET 3228N 0.73 0.74 -0.18 1.57 2.86 -1.15 -1.30 114.93 118.19 1jqb h MET 3228Ca 0.20 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.75 1jqb h MET 3228Cb -0.07 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 1jqb h MET 3228CO -0.04 0.52 0.01 0.87 1.06 0.00 0.00 176.91 179.33 1jqb h LYS 3229N 0.76 0.32 -0.47 1.72 1.57 -0.64 1.17 116.57 120.99 1jqb h LYS 3229Ca 0.20 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1jqb h LYS 3229Cb -0.03 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1jqb h LYS 3229CO -0.04 0.51 0.28 -0.07 -0.57 0.00 0.00 179.45 179.57 1jqb h LEU 3230N 0.08 0.56 -3.68 2.94 3.38 -0.74 -2.64 115.31 115.21 1jqb h LEU 3230Ca 0.05 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 1jqb h LEU 3230Cb 0.37 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 40.87 1jqb h LEU 3230CO 0.01 0.43 0.22 0.35 0.09 0.00 0.00 178.44 179.53 1jqb n THR 3231N -4.44 2.87 -4.03 0.22 -2.24 -0.54 -4.93 114.28 101.19 1jqb n THR 3231Ca 0.04 -1.70 -0.31 0.00 -2.27 0.00 0.00 64.05 59.80 1jqb n THR 3231Cb 0.08 -0.34 -0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1jqb n THR 3231CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1jqb n ASN 3232N -0.18 -3.14 0.00 3.42 4.05 -0.90 -0.84 115.26 117.67 1jqb n ASN 3232Ca 0.38 -0.92 0.00 0.00 0.45 0.00 0.00 54.58 54.50 1jqb n ASN 3232Cb 1.33 -3.29 0.00 0.00 1.23 0.00 0.00 39.78 39.04 1jqb n ASN 3232CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1jqb n GLY 3233N -1.62 0.46 0.13 8.20 0.00 0.40 -4.89 105.19 107.87 1jqb n GLY 3233Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1jqb n GLY 3233CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jqb h LYS 3234N 1.20 0.00 0.00 1.61 1.79 -1.19 -3.50 116.57 116.47 1jqb h LYS 3234Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1jqb h LYS 3234Cb 0.20 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1jqb h LYS 3234CO 0.00 0.00 -0.00 0.41 -1.08 0.00 0.00 179.45 178.78 1jqb n GLY 3235N 1.19 -2.15 3.49 3.86 0.00 -1.26 -4.68 105.19 105.64 1jqb n GLY 3235Ca 0.01 -1.46 -0.24 0.00 0.00 0.00 0.00 46.02 44.33 1jqb n GLY 3235CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jqb s VAL 3236N -0.33 2.19 0.13 1.61 -7.23 -0.63 -4.87 120.40 111.28 1jqb s VAL 3236Ca 0.00 -2.25 -0.05 0.00 -1.81 0.00 0.00 61.98 57.86 1jqb s VAL 3236Cb 0.00 -2.48 -0.16 0.00 0.56 0.00 0.00 36.38 34.30 1jqb s VAL 3236CO 0.00 -0.30 1.33 0.44 -0.31 0.00 0.00 175.10 176.26 1jqb h ASP 3237N 2.17 0.61 -5.14 4.85 3.32 -1.73 -0.68 116.42 119.81 1jqb h ASP 3237Ca -0.41 -0.45 -0.12 0.00 0.02 0.00 0.00 57.03 56.07 1jqb h ASP 3237Cb 1.25 -0.18 -0.17 0.00 0.22 0.00 0.00 39.33 40.45 1jqb h ASP 3237CO 0.66 1.23 -0.58 -0.13 -1.72 0.00 0.00 179.24 178.71 1jqb s ARG 3238N -3.44 0.60 -0.02 3.56 1.81 -0.73 -2.97 118.95 117.76 1jqb s ARG 3238Ca -0.07 -0.93 0.01 0.00 -1.72 0.00 0.00 55.73 53.02 1jqb s ARG 3238Cb 0.09 0.23 0.01 0.00 -0.45 0.00 0.00 34.95 34.83 1jqb s ARG 3238CO 0.87 -0.14 -0.02 0.08 -0.68 0.00 0.00 175.30 175.41 1jqb s VAL 3239N -3.12 0.22 -0.24 3.52 1.01 -0.82 -1.60 120.40 119.36 1jqb s VAL 3239Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 1jqb s VAL 3239Cb 0.02 -0.25 0.02 0.00 0.00 0.00 0.00 36.38 36.17 1jqb s VAL 3239CO -0.07 0.11 -0.06 -0.63 0.00 0.00 0.00 175.10 174.45 1jqb s ILE 3240N 0.50 2.97 -0.49 2.22 1.01 0.10 0.10 121.20 127.62 1jqb s ILE 3240Ca -0.05 -0.91 -0.23 0.00 0.00 0.00 0.00 60.65 59.46 1jqb s ILE 3240Cb -0.08 -2.47 0.03 0.00 0.01 0.00 0.00 42.46 39.95 1jqb s ILE 3240CO -0.01 0.25 0.82 -0.04 0.00 0.00 0.00 174.94 175.96 1jqb s MET 3241N 1.36 3.36 -0.02 2.79 -1.94 0.18 -1.11 119.30 123.92 1jqb s MET 3241Ca 0.02 -0.23 0.03 0.00 -1.71 0.00 0.00 55.69 53.80 1jqb s MET 3241Cb -0.16 -3.99 0.04 0.00 2.01 0.00 0.00 34.83 32.73 1jqb s MET 3241CO -0.04 -1.24 0.84 0.00 -0.01 0.00 0.00 175.02 174.57 1jqb n ALA 3242N 6.89 1.67 -3.61 3.03 0.00 -0.45 -0.67 120.51 127.37 1jqb n ALA 3242Ca 0.01 -1.04 -0.02 0.00 0.00 0.00 0.00 53.44 52.39 1jqb n ALA 3242Cb 0.48 -0.13 -0.01 0.00 0.00 0.00 0.00 19.45 19.78 1jqb n ALA 3242CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1jqb s GLY 3243N -0.89 -0.34 0.00 0.00 0.00 -0.40 -4.44 107.32 101.23 1jqb s GLY 3243Ca 0.05 1.19 0.00 0.00 0.00 0.00 0.00 44.72 45.95 1jqb s GLY 3243CO 0.00 0.35 0.00 0.61 0.00 0.00 0.00 173.10 174.06 1jqb n GLY 3244N -0.27 -2.99 2.08 0.20 0.00 -1.26 -4.62 105.19 98.33 1jqb n GLY 3244Ca -0.04 -1.86 -0.12 0.00 0.00 0.00 0.00 46.02 44.01 1jqb n GLY 3244CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jqb n GLY 3245N -0.28 1.09 0.21 -0.02 0.00 -1.26 -4.95 105.19 99.98 1jqb n GLY 3245Ca 0.00 -2.05 0.15 0.00 0.00 0.00 0.00 46.02 44.11 1jqb n GLY 3245CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jqb h SER 3246N -0.20 0.00 0.92 1.61 4.64 -1.94 -1.18 113.55 117.40 1jqb h SER 3246Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1jqb h SER 3246Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1jqb h SER 3246CO 0.20 0.00 0.00 1.05 -0.87 0.00 0.00 176.83 177.21 1jqb h GLU 3247N 0.00 0.00 0.00 4.77 9.09 -1.93 -2.75 114.58 123.75 1jqb h GLU 3247Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 1jqb h GLU 3247Cb 0.07 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.17 1jqb h GLU 3247CO 0.00 0.00 -0.00 1.79 0.05 0.00 0.00 179.01 180.85 1jqb h THR 3248N 0.00 0.02 -0.33 -1.06 1.35 -1.57 -2.26 112.91 109.06 1jqb h THR 3248Ca 0.00 -0.20 -0.05 0.00 -0.55 0.00 0.00 66.41 65.61 1jqb h THR 3248Cb 0.46 1.19 -0.01 0.00 -1.73 0.00 0.00 68.15 68.06 1jqb h THR 3248CO 0.00 0.00 0.01 0.25 -0.25 0.00 0.00 175.52 175.53 1jqb h LEU 3249N 0.00 0.56 -0.50 3.87 5.85 -1.71 -0.20 115.31 123.19 1jqb h LEU 3249Ca -0.00 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 1jqb h LEU 3249Cb 0.19 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1jqb h LEU 3249CO 0.00 0.73 0.25 -1.28 -0.34 0.00 0.00 178.44 177.80 1jqb h SER 3250N 0.38 0.65 -0.84 1.25 0.87 -1.45 -1.03 113.55 113.37 1jqb h SER 3250Ca 0.09 -0.12 0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1jqb h SER 3250Cb 0.44 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.19 1jqb h SER 3250CO 0.02 0.58 0.55 1.56 -0.53 0.00 0.00 176.83 179.01 1jqb h GLN 3251N 0.66 1.08 -0.09 2.24 4.20 -1.32 -0.96 115.11 120.94 1jqb h GLN 3251Ca 0.17 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 1jqb h GLN 3251Cb 0.10 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 1jqb h GLN 3251CO -0.02 0.72 0.05 0.00 -0.67 0.00 0.00 178.83 178.91 1jqb h ALA 3252N 1.32 0.11 -0.94 3.87 0.00 -0.57 -1.73 119.26 121.32 1jqb h ALA 3252Ca 0.32 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.23 1jqb h ALA 3252Cb -0.09 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1jqb h ALA 3252CO -0.08 -0.37 0.62 0.28 0.00 0.00 0.00 179.25 179.70 1jqb h VAL 3253N 0.07 1.16 0.00 0.00 2.07 -0.73 -1.60 116.25 117.21 1jqb h VAL 3253Ca 0.03 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 1jqb h VAL 3253Cb 0.05 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.69 1jqb h VAL 3253CO -0.01 0.22 -0.20 0.11 0.02 0.00 0.00 177.57 177.71 1jqb h LYS 3254N 1.18 0.00 0.00 1.57 1.57 -0.80 -3.24 116.57 116.85 1jqb h LYS 3254Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1jqb h LYS 3254Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1jqb h LYS 3254CO -0.12 0.20 -1.33 0.00 -0.57 0.00 0.00 179.45 177.64 1jqb n MET 3255N -3.34 0.35 -3.40 3.15 0.00 -0.68 -4.97 117.12 108.22 1jqb n MET 3255Ca 0.00 -0.07 -0.34 0.00 0.00 0.00 0.00 57.70 57.29 1jqb n MET 3255Cb 0.43 -1.48 -0.06 0.00 0.00 0.00 0.00 33.22 32.11 1jqb n MET 3255CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1jqb s VAL 3256N -3.14 4.91 0.70 3.17 0.11 -0.65 -1.60 120.40 123.90 1jqb s VAL 3256Ca 0.02 0.68 -0.12 0.00 -2.93 0.00 0.00 61.98 59.63 1jqb s VAL 3256Cb 0.15 -3.69 0.01 0.00 -1.53 0.00 0.00 36.38 31.32 1jqb s VAL 3256CO 0.86 0.16 1.07 -0.54 -3.33 0.00 0.00 175.10 173.32 1jqb s LYS 3257N -2.20 2.80 0.39 1.54 1.02 -0.26 -4.82 119.74 118.21 1jqb s LYS 3257Ca 0.40 1.09 -0.27 0.00 0.02 0.00 0.00 55.97 57.21 1jqb s LYS 3257Cb -0.14 -1.97 -0.09 0.00 -0.52 0.00 0.00 37.83 35.11 1jqb s LYS 3257CO 0.20 -1.22 1.37 -2.14 -0.92 0.00 0.00 175.35 172.64 1jqb s PRO 3258N -4.78 4.03 0.00 -1.68 0.02 -1.26 -0.85 135.00 130.48 1jqb s PRO 3258Ca 0.60 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.94 1jqb s PRO 3258Cb -0.16 -2.85 0.00 0.00 0.02 0.00 0.00 34.50 31.51 1jqb s PRO 3258CO 0.51 -0.50 0.00 0.41 -0.33 0.00 0.00 177.00 177.10 1jqb n GLY 3259N 0.63 1.53 3.93 0.52 0.00 0.17 -4.97 105.19 107.00 1jqb n GLY 3259Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1jqb n GLY 3259CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jqb s GLY 3260N -1.87 1.78 -0.03 -0.02 0.00 -0.03 -4.86 107.32 102.30 1jqb s GLY 3260Ca 0.00 -1.23 0.03 0.00 0.00 0.00 0.00 44.72 43.53 1jqb s GLY 3260CO 0.00 -0.46 -0.11 -0.42 0.00 0.00 0.00 173.10 172.11 1jqb s ILE 3261N -3.87 0.97 -0.20 0.90 1.01 -1.16 -1.97 121.20 116.88 1jqb s ILE 3261Ca 0.74 -0.47 -0.04 0.00 0.00 0.00 0.00 60.65 60.88 1jqb s ILE 3261Cb -0.04 -0.84 -0.01 0.00 0.01 0.00 0.00 42.46 41.57 1jqb s ILE 3261CO 0.53 0.29 -0.04 -0.63 0.00 0.00 0.00 174.94 175.09 1jqb s ILE 3262N 0.08 3.53 -0.26 2.92 1.01 0.73 -1.94 121.20 127.27 1jqb s ILE 3262Ca -0.02 -0.45 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 1jqb s ILE 3262Cb -0.09 -2.59 0.03 0.00 0.01 0.00 0.00 42.46 39.82 1jqb s ILE 3262CO 0.01 0.43 -0.04 -0.55 0.00 0.00 0.00 174.94 174.79 1jqb s SER 3263N 1.20 4.46 -0.22 3.58 0.15 0.11 -0.17 113.70 122.82 1jqb s SER 3263Ca 0.03 -0.92 -0.10 0.00 0.70 0.00 0.00 55.95 55.66 1jqb s SER 3263Cb -0.14 -1.69 -0.05 0.00 -1.71 0.00 0.00 66.02 62.43 1jqb s SER 3263CO -0.01 -0.15 0.14 0.21 1.20 0.00 0.00 173.24 174.63 1jqb s ASN 3264N 1.33 6.08 0.00 5.45 2.47 -0.32 0.51 114.94 130.46 1jqb s ASN 3264Ca -0.00 0.14 0.00 0.00 0.42 0.00 0.00 52.86 53.42 1jqb s ASN 3264Cb -0.17 -2.08 0.00 0.00 -1.45 0.00 0.00 41.25 37.55 1jqb s ASN 3264CO -0.03 0.11 0.72 2.30 -3.72 0.00 0.00 177.10 176.48 1jqb n ILE 3265N 3.95 0.48 -2.98 -5.21 -5.35 0.16 -2.57 119.36 107.84 1jqb n ILE 3265Ca -0.16 -0.50 -0.40 0.00 -0.27 0.00 0.00 62.75 61.42 1jqb n ILE 3265Cb 0.52 0.80 -0.04 0.00 -1.74 0.00 0.00 39.64 39.17 1jqb n ILE 3265CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1jqb s ASN 3266N -0.48 6.98 -0.64 7.28 2.47 -0.70 -4.91 114.94 124.94 1jqb s ASN 3266Ca 0.00 1.19 -0.25 0.00 0.42 0.00 0.00 52.86 54.22 1jqb s ASN 3266Cb 0.00 -2.43 0.05 0.00 -1.45 0.00 0.00 41.25 37.41 1jqb s ASN 3266CO 0.00 -0.23 1.08 -0.47 -3.72 0.00 0.00 177.10 173.76 1jqb s TYR 3267N 1.35 2.59 -0.80 0.43 5.04 -1.26 -4.98 117.35 119.72 1jqb s TYR 3267Ca 0.38 -0.13 -0.24 0.00 -2.44 0.00 0.00 57.07 54.64 1jqb s TYR 3267Cb -0.17 -4.36 0.06 0.00 0.35 0.00 0.00 41.96 37.84 1jqb s TYR 3267CO 0.16 -1.68 1.20 -1.01 -1.34 0.00 0.00 175.55 172.88 1jqb s HIS 3268N 4.63 2.56 -0.41 4.97 3.76 -1.26 -4.86 115.29 124.67 1jqb s HIS 3268Ca 0.31 -0.53 0.15 0.00 -0.15 0.00 0.00 55.06 54.84 1jqb s HIS 3268Cb -0.12 -4.50 0.75 0.00 1.11 0.00 0.00 32.58 29.82 1jqb s HIS 3268CO 0.16 -1.84 1.67 0.41 -0.85 0.00 0.00 174.74 174.28 1jqb n GLY 3269N 5.68 3.13 3.15 -2.22 0.00 -1.26 -4.97 105.19 108.71 1jqb n GLY 3269Ca 0.10 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 1jqb n GLY 3269CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jqb s SER 3270N -1.01 0.16 0.00 1.61 0.15 -1.26 -4.54 113.70 108.81 1jqb s SER 3270Ca 0.51 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1jqb s SER 3270Cb 0.38 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 1jqb s SER 3270CO 0.16 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.63 1jqb n GLY 3271N 0.47 -0.79 0.15 9.45 0.00 -1.26 -4.82 105.19 108.38 1jqb n GLY 3271Ca -0.17 -1.62 -0.23 0.00 0.00 0.00 0.00 46.02 43.99 1jqb n GLY 3271CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jqb h ASP 3272N 0.00 0.80 -4.96 1.61 5.19 -2.01 -3.49 116.42 113.56 1jqb h ASP 3272Ca 0.00 -0.84 0.10 0.00 -0.62 0.00 0.00 57.03 55.67 1jqb h ASP 3272Cb 0.00 -0.26 -0.11 0.00 0.18 0.00 0.00 39.33 39.14 1jqb h ASP 3272CO 0.00 1.66 0.41 0.00 -3.12 0.00 0.00 179.24 178.18 1jqb s ALA 3273N -2.66 -1.66 -0.05 3.45 0.00 -1.26 -5.16 121.76 114.42 1jqb s ALA 3273Ca -0.08 0.49 -0.03 0.00 0.00 0.00 0.00 51.96 52.33 1jqb s ALA 3273Cb 0.05 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 1jqb s ALA 3273CO 0.94 -0.85 0.12 -0.51 0.00 0.00 0.00 175.76 175.46 1jqb s LEU 3274N -2.72 4.15 -0.05 0.00 1.02 -1.26 -4.98 118.68 114.84 1jqb s LEU 3274Ca 0.07 0.31 -0.02 0.00 0.02 0.00 0.00 54.13 54.51 1jqb s LEU 3274Cb -0.02 -2.25 -0.04 0.00 0.02 0.00 0.00 46.19 43.91 1jqb s LEU 3274CO -0.05 0.33 0.04 -0.76 0.02 0.00 0.00 176.35 175.94 1jqb s LEU 3275N -1.46 3.77 -0.22 1.79 1.02 -1.26 -5.09 118.68 117.23 1jqb s LEU 3275Ca 0.20 0.17 -0.04 0.00 0.02 0.00 0.00 54.13 54.47 1jqb s LEU 3275Cb -0.12 -2.02 -0.01 0.00 0.02 0.00 0.00 46.19 44.06 1jqb s LEU 3275CO 0.11 0.34 -0.02 -0.63 0.02 0.00 0.00 176.35 176.16 1jqb s ILE 3276N -1.03 3.59 -0.13 -0.59 1.01 -1.26 -3.51 121.20 119.29 1jqb s ILE 3276Ca 0.17 -0.42 -0.29 0.00 0.00 0.00 0.00 60.65 60.11 1jqb s ILE 3276Cb -0.12 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 1jqb s ILE 3276CO 0.07 0.41 1.58 -2.16 0.00 0.00 0.00 174.94 174.84 1jqb s PRO 3277N 1.42 4.06 0.14 2.79 0.04 -1.26 -4.93 135.00 137.26 1jqb s PRO 3277Ca 0.05 1.93 -0.28 0.00 0.04 0.00 0.00 61.00 62.74 1jqb s PRO 3277Cb -0.14 -3.97 -0.04 0.00 0.04 0.00 0.00 34.50 30.39 1jqb s PRO 3277CO -0.01 -0.97 1.59 -0.09 0.04 0.00 0.00 177.00 177.55 1jqb h ARG 3278N 9.72 -0.44 -0.10 4.56 2.43 -1.97 -1.41 114.38 127.17 1jqb h ARG 3278Ca -0.35 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1jqb h ARG 3278Cb 1.16 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1jqb h ARG 3278CO 0.97 -0.29 0.05 0.28 -1.51 0.00 0.00 179.97 179.47 1jqb h VAL 3279N -0.45 1.09 0.00 0.20 2.07 -1.96 0.13 116.25 117.33 1jqb h VAL 3279Ca 0.09 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1jqb h VAL 3279Cb 0.61 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1jqb h VAL 3279CO -0.41 0.08 0.00 -0.33 0.02 0.00 0.00 177.57 176.93 1jqb h GLU 3280N 0.06 0.00 -0.70 1.57 3.07 -1.92 -1.20 114.58 115.47 1jqb h GLU 3280Ca 0.03 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.85 1jqb h GLU 3280Cb 0.08 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.96 1jqb h GLU 3280CO -0.01 0.00 0.06 1.87 -1.40 0.00 0.00 179.01 179.53 1jqb n TRP 3281N -2.36 1.80 -3.36 4.33 -0.00 -0.54 -4.78 117.44 112.52 1jqb n TRP 3281Ca 0.01 -0.71 -0.24 0.00 -0.00 0.00 0.00 57.50 56.57 1jqb n TRP 3281Cb 0.22 -0.48 0.01 0.00 -0.00 0.00 0.00 31.31 31.06 1jqb n TRP 3281CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1jqb n GLY 3282N 0.36 -0.50 2.45 5.87 0.00 -0.45 0.42 105.19 113.34 1jqb n GLY 3282Ca 0.26 0.12 -0.19 0.00 0.00 0.00 0.00 46.02 46.21 1jqb n GLY 3282CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqb n GLY 3284N -0.57 0.78 0.07 0.00 0.00 0.17 -4.95 105.19 100.69 1jqb n GLY 3284Ca -0.20 -0.10 0.03 0.00 0.00 0.00 0.00 46.02 45.74 1jqb n GLY 3284CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jqb n MET 3285N -2.41 1.71 -0.08 1.61 2.81 -0.28 -4.75 117.12 115.73 1jqb n MET 3285Ca 0.00 -1.56 0.08 0.00 -1.81 0.00 0.00 57.70 54.42 1jqb n MET 3285Cb 0.00 -0.99 0.32 0.00 -0.71 0.00 0.00 33.22 31.84 1jqb n MET 3285CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jqb n ALA 3286N -0.61 2.52 -3.77 3.04 0.00 -1.21 -4.92 120.51 115.56 1jqb n ALA 3286Ca 0.04 -0.43 -0.29 0.00 0.00 0.00 0.00 53.44 52.77 1jqb n ALA 3286Cb 0.44 -1.09 0.02 0.00 0.00 0.00 0.00 19.45 18.82 1jqb n ALA 3286CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1jqb n HIS 3287N 0.10 -2.18 -3.25 0.00 8.25 -1.26 -0.66 115.22 116.21 1jqb n HIS 3287Ca 0.13 0.80 -0.46 0.00 -0.26 0.00 0.00 57.72 57.93 1jqb n HIS 3287Cb 0.25 -3.82 -0.02 0.00 1.12 0.00 0.00 29.99 27.52 1jqb n HIS 3287CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1jqb s LYS 3288N -6.46 3.59 0.29 -0.41 1.02 -1.26 -2.05 119.74 114.46 1jqb s LYS 3288Ca 0.60 -2.32 -0.29 0.00 0.02 0.00 0.00 55.97 53.98 1jqb s LYS 3288Cb -0.30 -4.51 -0.10 0.00 -0.52 0.00 0.00 37.83 32.39 1jqb s LYS 3288CO 0.74 -1.38 1.27 0.99 -0.92 0.00 0.00 175.35 176.05 1jqb s THR 3289N 0.66 2.95 -0.15 2.17 2.01 -0.83 -4.88 115.64 117.57 1jqb s THR 3289Ca 0.20 0.92 0.01 0.00 0.31 0.00 0.00 61.69 63.13 1jqb s THR 3289Cb -0.10 -3.59 0.02 0.00 0.01 0.00 0.00 72.50 68.85 1jqb s THR 3289CO -0.09 0.20 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.23 1jqb s ILE 3290N -0.87 1.86 0.33 1.82 1.01 -1.26 -0.19 121.20 123.90 1jqb s ILE 3290Ca 0.50 -0.83 0.07 0.00 0.00 0.00 0.00 60.65 60.39 1jqb s ILE 3290Cb -0.38 -1.69 -0.06 0.00 0.01 0.00 0.00 42.46 40.34 1jqb s ILE 3290CO 0.48 0.51 -0.05 -0.54 0.00 0.00 0.00 174.94 175.34 1jqb s LYS 3291N 1.21 1.73 -0.30 2.79 1.02 0.75 -4.98 119.74 121.96 1jqb s LYS 3291Ca 0.01 -1.91 -0.17 0.00 0.02 0.00 0.00 55.97 53.92 1jqb s LYS 3291Cb -0.14 -1.40 0.18 0.00 -0.52 0.00 0.00 37.83 35.95 1jqb s LYS 3291CO -0.09 0.03 1.12 0.20 -0.92 0.00 0.00 175.35 175.70 1jqb s GLY 3292N -3.55 0.05 0.05 -3.33 0.00 -1.26 -1.17 107.32 98.11 1jqb s GLY 3292Ca 0.32 3.34 -0.16 0.00 0.00 0.00 0.00 44.72 48.22 1jqb s GLY 3292CO 0.15 3.23 0.36 -0.32 0.00 0.00 0.00 173.10 176.52 1jqb s GLY 3293N 2.14 -0.20 0.48 0.20 0.00 -1.06 -4.97 107.32 103.91 1jqb s GLY 3293Ca -0.02 0.13 -0.21 0.00 0.00 0.00 0.00 44.72 44.62 1jqb s GLY 3293CO -0.16 -0.11 1.10 -2.27 0.00 0.00 0.00 173.10 171.66 1jqb s LEU 3294N -2.12 3.91 0.52 0.66 2.96 -1.26 -4.74 118.68 118.61 1jqb s LEU 3294Ca -0.04 2.13 -0.22 0.00 -0.22 0.00 0.00 54.13 55.78 1jqb s LEU 3294Cb -0.00 -4.41 -0.05 0.00 0.50 0.00 0.00 46.19 42.22 1jqb s LEU 3294CO -0.04 -0.90 1.27 0.00 -1.32 0.00 0.00 176.35 175.36 1jqb s PRO 3296N -2.90 3.53 0.00 0.00 0.02 -1.26 -4.83 135.00 129.55 1jqb s PRO 3296Ca 0.70 1.23 0.00 0.00 0.02 0.00 0.00 61.00 62.95 1jqb s PRO 3296Cb -0.35 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.11 1jqb s PRO 3296CO 0.41 -0.64 0.00 0.41 -0.33 0.00 0.00 177.00 176.85 1jqb n GLY 3297N -0.81 5.87 0.00 0.52 0.00 -1.26 -4.76 105.19 104.76 1jqb n GLY 3297Ca 0.09 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1jqb n GLY 3297CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jqb n GLY 3298N 1.53 0.02 0.07 -0.02 0.00 -0.63 -4.32 105.19 101.83 1jqb n GLY 3298Ca 0.00 -1.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.15 1jqb n GLY 3298CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1jqb h ARG 3299N 0.00 0.12 -0.47 1.61 2.43 -0.79 -2.12 114.38 115.16 1jqb h ARG 3299Ca 0.00 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1jqb h ARG 3299Cb 0.00 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.48 1jqb h ARG 3299CO 0.00 0.09 0.19 1.25 -1.51 0.00 0.00 179.97 179.99 1jqb h LEU 3300N 0.11 0.24 -0.02 3.80 5.85 -1.85 0.22 115.31 123.65 1jqb h LEU 3300Ca 0.03 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1jqb h LEU 3300Cb -0.00 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 1jqb h LEU 3300CO -0.01 0.17 0.01 -0.09 -0.34 0.00 0.00 178.44 178.19 1jqb h ARG 3301N 0.39 0.03 -0.54 1.25 9.65 -1.74 -0.99 114.38 122.43 1jqb h ARG 3301Ca 0.21 -0.00 0.02 0.00 -1.10 0.00 0.00 59.98 59.11 1jqb h ARG 3301Cb 0.18 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.72 1jqb h ARG 3301CO -0.19 0.09 0.33 0.00 2.80 0.00 0.00 179.97 183.00 1jqb h ALA 3302N 0.94 0.69 -0.60 2.80 0.00 -0.80 -0.95 119.26 121.34 1jqb h ALA 3302Ca 0.01 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1jqb h ALA 3302Cb 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1jqb h ALA 3302CO -0.00 0.06 0.00 0.93 0.00 0.00 0.00 179.25 180.24 1jqb h GLU 3303N 0.67 1.05 -0.26 0.00 5.08 -0.49 0.35 114.58 120.99 1jqb h GLU 3303Ca 0.21 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1jqb h GLU 3303Cb -0.01 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1jqb h GLU 3303CO -0.08 1.02 0.01 0.00 -1.00 0.00 0.00 179.01 178.96 1jqb h ARG 3304N 0.96 0.45 -0.40 2.33 3.08 -0.84 -0.21 114.38 119.74 1jqb h ARG 3304Ca 0.17 -0.14 -0.14 0.00 0.07 0.00 0.00 59.98 59.95 1jqb h ARG 3304Cb 0.55 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1jqb h ARG 3304CO 0.03 0.60 -0.30 -0.07 -1.07 0.00 0.00 179.97 179.17 1jqb h LEU 3305N 0.23 0.90 -0.31 3.04 3.38 -1.15 -1.57 115.31 119.84 1jqb h LEU 3305Ca 0.07 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.71 1jqb h LEU 3305Cb 0.40 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1jqb h LEU 3305CO 0.01 1.12 0.10 -0.09 0.09 0.00 0.00 178.44 179.68 1jqb h ARG 3306N 0.73 0.23 -0.27 1.13 2.43 -0.80 -1.44 114.38 116.38 1jqb h ARG 3306Ca 0.08 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1jqb h ARG 3306Cb 0.85 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 1jqb h ARG 3306CO 0.07 0.15 -0.03 -0.44 -1.51 0.00 0.00 179.97 178.21 1jqb h ASP 3307N 0.23 0.39 -0.69 -3.80 3.32 -0.82 -0.12 116.42 114.94 1jqb h ASP 3307Ca 0.14 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 1jqb h ASP 3307Cb 0.11 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1jqb h ASP 3307CO -0.14 0.48 0.35 0.24 -1.72 0.00 0.00 179.24 178.44 1jqb h MET 3308N 0.40 0.98 -0.14 3.56 2.86 -0.30 -0.48 114.93 121.82 1jqb h MET 3308Ca 0.09 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1jqb h MET 3308Cb 0.32 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1jqb h MET 3308CO 0.01 0.77 0.03 0.28 1.06 0.00 0.00 176.91 179.06 1jqb h VAL 3309N 0.96 1.20 -0.86 -2.22 2.07 -0.39 -0.10 116.25 116.92 1jqb h VAL 3309Ca 0.24 -0.64 0.13 0.00 0.82 0.00 0.00 66.70 67.24 1jqb h VAL 3309Cb 0.09 1.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 1jqb h VAL 3309CO -0.03 0.19 0.56 0.58 0.02 0.00 0.00 177.57 178.88 1jqb h VAL 3310N 0.03 0.88 -0.31 2.57 2.07 -0.74 0.22 116.25 120.97 1jqb h VAL 3310Ca 0.04 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1jqb h VAL 3310Cb 0.27 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1jqb h VAL 3310CO 0.00 0.13 0.00 -1.22 0.02 0.00 0.00 177.57 176.50 1jqb n TYR 3311N -4.54 0.59 -3.38 1.57 4.01 -0.22 -4.92 117.16 110.26 1jqb n TYR 3311Ca 0.16 -0.25 -0.25 0.00 -0.16 0.00 0.00 57.90 57.40 1jqb n TYR 3311Cb 0.41 -0.09 0.03 0.00 -0.31 0.00 0.00 39.34 39.38 1jqb n TYR 3311CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1jqb n ASN 3312N 0.40 -5.20 0.16 7.72 4.13 0.77 -4.87 115.26 118.38 1jqb n ASN 3312Ca 0.11 -0.45 0.02 0.00 1.68 0.00 0.00 54.58 55.94 1jqb n ASN 3312Cb 0.40 -4.19 0.24 0.00 -1.54 0.00 0.00 39.78 34.68 1jqb n ASN 3312CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 1jqb h ARG 3313N -1.58 0.00 -3.02 3.52 2.47 -1.24 -3.44 114.38 111.08 1jqb h ARG 3313Ca -0.52 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.04 1jqb h ARG 3313Cb 1.35 0.00 -0.26 0.00 -1.65 0.00 0.00 29.97 29.41 1jqb h ARG 3313CO 0.58 0.50 -0.39 0.54 0.56 0.00 0.00 179.97 181.76 1jqb s VAL 3314N -3.55 -0.01 -0.54 2.04 0.11 -1.26 -5.06 120.40 112.14 1jqb s VAL 3314Ca -0.00 0.02 -0.17 0.00 -2.93 0.00 0.00 61.98 58.90 1jqb s VAL 3314Cb 0.11 -0.41 0.11 0.00 -1.53 0.00 0.00 36.38 34.67 1jqb s VAL 3314CO 0.72 0.01 0.52 -0.62 -3.33 0.00 0.00 175.10 172.41 1jqb s ASP 3315N 0.34 6.18 0.06 3.54 -1.08 -1.26 -4.70 116.67 119.74 1jqb s ASP 3315Ca -0.02 -1.61 0.23 0.00 -0.52 0.00 0.00 52.55 50.64 1jqb s ASP 3315Cb -0.03 -2.23 0.94 0.00 -1.46 0.00 0.00 42.92 40.14 1jqb s ASP 3315CO -0.01 -0.87 1.72 0.18 0.52 0.00 0.00 175.17 176.71 1jqb n LEU 3316N 5.47 0.18 0.23 -1.34 4.77 -1.26 -3.72 117.00 121.33 1jqb n LEU 3316Ca -0.13 0.53 0.14 0.00 -0.03 0.00 0.00 56.01 56.52 1jqb n LEU 3316Cb 0.41 -0.49 0.79 0.00 -2.33 0.00 0.00 43.42 41.80 1jqb n LEU 3316CO 0.54 -0.18 1.12 0.77 -1.33 0.00 0.00 177.39 178.31 1jqb h SER 3317N 0.00 0.00 0.68 -1.43 4.64 -1.92 -1.80 113.55 113.72 1jqb h SER 3317Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jqb h SER 3317Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1jqb h SER 3317CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1jqb n LYS 3318N -4.10 0.19 0.09 4.77 4.76 -1.24 -2.76 118.16 119.87 1jqb n LYS 3318Ca -0.00 0.43 -0.00 0.00 -2.87 0.00 0.00 58.31 55.87 1jqb n LYS 3318Cb 0.21 -1.87 -0.04 0.00 -1.84 0.00 0.00 35.03 31.49 1jqb n LYS 3318CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1jqb h LEU 3319N 0.00 0.00 -8.42 -0.35 3.38 -1.61 -3.43 115.31 104.88 1jqb h LEU 3319Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 1jqb h LEU 3319Cb 0.34 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.94 1jqb h LEU 3319CO 0.00 0.62 0.36 -0.69 0.09 0.00 0.00 178.44 178.83 1jqb s VAL 3320N -2.89 4.57 -0.13 1.22 1.01 -1.11 -1.47 120.40 121.59 1jqb s VAL 3320Ca 0.01 -0.09 0.18 0.00 0.00 0.00 0.00 61.98 62.07 1jqb s VAL 3320Cb 0.08 -4.47 -0.27 0.00 0.00 0.00 0.00 36.38 31.73 1jqb s VAL 3320CO 0.78 -1.04 0.44 0.35 0.00 0.00 0.00 175.10 175.63 1jqb n THR 3321N 5.94 0.00 -4.45 3.92 -2.24 -0.71 -4.94 114.28 111.80 1jqb n THR 3321Ca -0.02 -0.37 -0.26 0.00 -2.27 0.00 0.00 64.05 61.14 1jqb n THR 3321Cb 0.46 0.21 -0.17 0.00 -2.10 0.00 0.00 70.33 68.74 1jqb n THR 3321CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1jqb s HIS 3322N -3.16 1.55 -0.09 4.78 3.76 -1.08 -4.98 115.29 116.06 1jqb s HIS 3322Ca -0.05 -0.64 0.01 0.00 -0.15 0.00 0.00 55.06 54.23 1jqb s HIS 3322Cb 0.12 -1.16 0.02 0.00 1.11 0.00 0.00 32.58 32.67 1jqb s HIS 3322CO 0.74 -0.35 -0.09 0.08 -0.85 0.00 0.00 174.74 174.27 1jqb s VAL 3323N 0.89 1.04 0.42 -0.90 1.01 -1.26 -0.43 120.40 121.17 1jqb s VAL 3323Ca -0.10 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.61 1jqb s VAL 3323Cb -0.15 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 1jqb s VAL 3323CO 0.01 0.36 0.16 -0.31 0.00 0.00 0.00 175.10 175.32 1jqb s TYR 3324N 1.33 2.58 -0.36 5.22 2.02 -0.35 -4.98 117.35 122.80 1jqb s TYR 3324Ca -0.02 -0.60 0.01 0.00 -0.37 0.00 0.00 57.07 56.08 1jqb s TYR 3324Cb -0.14 -1.94 0.14 0.00 -0.40 0.00 0.00 41.96 39.63 1jqb s TYR 3324CO -0.04 0.21 0.23 -1.01 -1.57 0.00 0.00 175.55 173.36 1jqb s HIS 3325N -2.62 0.79 0.00 2.71 3.76 -1.26 -1.87 115.29 116.80 1jqb s HIS 3325Ca 0.40 -1.72 0.00 0.00 -0.15 0.00 0.00 55.06 53.59 1jqb s HIS 3325Cb 0.05 -0.93 0.00 0.00 1.11 0.00 0.00 32.58 32.80 1jqb s HIS 3325CO 0.22 -0.83 0.00 0.41 -0.85 0.00 0.00 174.74 173.69 1jqb n GLY 3326N 3.89 2.61 0.39 -2.22 0.00 -0.56 -4.97 105.19 104.35 1jqb n GLY 3326Ca 0.14 0.25 0.18 0.00 0.00 0.00 0.00 46.02 46.59 1jqb n GLY 3326CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jqb h PHE 3327N 0.00 0.00 0.00 1.61 3.04 -1.93 0.73 116.94 120.39 1jqb h PHE 3327Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1jqb h PHE 3327Cb 0.00 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.51 1jqb h PHE 3327CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 178.31 176.04 1jqb n ASP 3328N -3.22 0.14 0.16 0.41 9.92 -1.26 -3.21 116.55 119.49 1jqb n ASP 3328Ca 0.07 0.52 0.12 0.00 -0.53 0.00 0.00 54.79 54.96 1jqb n ASP 3328Cb 0.78 -0.55 0.16 0.00 -0.64 0.00 0.00 41.12 40.87 1jqb n ASP 3328CO 0.00 0.00 0.00 0.45 0.13 0.00 0.00 177.20 177.78 1jqb h HIS 3329N 0.00 0.00 -0.85 1.24 3.86 0.11 -3.36 115.15 116.15 1jqb h HIS 3329Ca 0.00 0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.35 1jqb h HIS 3329Cb 0.50 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.83 1jqb h HIS 3329CO 0.00 0.00 -0.35 0.82 0.86 0.00 0.00 177.93 179.26 1jqb h ILE 3330N 0.00 0.07 -0.29 2.45 2.04 -1.66 0.20 117.51 120.32 1jqb h ILE 3330Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 1jqb h ILE 3330Cb 0.94 0.07 -0.07 0.00 -0.74 0.00 0.00 36.82 37.02 1jqb h ILE 3330CO 0.00 0.00 -0.17 -0.08 0.00 0.00 0.00 178.15 177.90 1jqb h GLU 3331N -0.05 -0.14 -0.53 2.37 4.81 -1.83 -1.74 114.58 117.47 1jqb h GLU 3331Ca 0.32 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.58 1jqb h GLU 3331Cb 0.59 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 1jqb h GLU 3331CO -0.88 -0.09 0.33 1.49 -0.73 0.00 0.00 179.01 179.13 1jqb h GLU 3332N -0.14 0.64 0.15 1.92 4.81 -1.04 -3.06 114.58 117.86 1jqb h GLU 3332Ca 0.15 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1jqb h GLU 3332Cb 0.38 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 1jqb h GLU 3332CO -0.37 0.42 -0.29 0.00 -0.73 0.00 0.00 179.01 178.03 1jqb h ALA 3333N 1.22 -0.52 -0.73 2.92 0.00 -0.04 -2.23 119.26 119.87 1jqb h ALA 3333Ca 0.21 -0.06 0.19 0.00 0.00 0.00 0.00 54.91 55.25 1jqb h ALA 3333Cb -0.01 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1jqb h ALA 3333CO -0.08 -0.84 0.51 1.25 0.00 0.00 0.00 179.25 180.09 1jqb h LEU 3334N -0.53 0.15 -1.60 0.00 5.85 -1.27 0.20 115.31 118.10 1jqb h LEU 3334Ca 0.02 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1jqb h LEU 3334Cb 0.55 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 1jqb h LEU 3334CO -0.15 0.07 -0.16 -0.07 -0.34 0.00 0.00 178.44 177.78 1jqb h LEU 3335N 0.15 0.00 -0.76 2.25 3.38 -1.30 -2.32 115.31 116.71 1jqb h LEU 3335Ca 0.36 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.20 1jqb h LEU 3335Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1jqb h LEU 3335CO -0.06 0.16 -0.45 -0.07 0.09 0.00 0.00 178.44 178.11 1jqb h LEU 3336N 0.00 0.40 0.00 1.67 3.38 -0.53 -2.00 115.31 118.24 1jqb h LEU 3336Ca -0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1jqb h LEU 3336Cb 0.50 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1jqb h LEU 3336CO 0.02 0.80 0.00 0.23 0.09 0.00 0.00 178.44 179.59 1jqb n MET 3337N -3.99 0.80 -0.09 1.13 2.81 -0.87 0.40 117.12 117.30 1jqb n MET 3337Ca -0.02 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.73 1jqb n MET 3337Cb 0.53 -1.49 -0.05 0.00 -0.71 0.00 0.00 33.22 31.50 1jqb n MET 3337CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1jqb n LYS 3338N -0.99 0.48 -0.05 0.03 4.81 -0.81 -4.71 118.16 116.93 1jqb n LYS 3338Ca 0.19 0.20 -0.14 0.00 -0.87 0.00 0.00 58.31 57.69 1jqb n LYS 3338Cb 0.09 -1.34 -0.13 0.00 0.02 0.00 0.00 35.03 33.67 1jqb n LYS 3338CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1jqb h ASP 3339N -0.88 0.04 -5.06 3.14 3.32 -1.46 -3.50 116.42 112.02 1jqb h ASP 3339Ca -0.22 -0.91 0.00 0.00 0.02 0.00 0.00 57.03 55.92 1jqb h ASP 3339Cb 1.11 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1jqb h ASP 3339CO -0.13 0.95 -0.89 0.29 -1.72 0.00 0.00 179.24 177.74 1jqb n LYS 3340N -4.61 -3.24 -1.10 3.56 5.02 0.16 -5.00 118.16 112.96 1jqb n LYS 3340Ca -0.10 2.63 -0.30 0.00 -2.02 0.00 0.00 58.31 58.52 1jqb n LYS 3340Cb 0.47 -5.25 0.14 0.00 -0.02 0.00 0.00 35.03 30.36 1jqb n LYS 3340CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1jqb s PRO 3341N -1.69 1.28 0.00 1.97 0.04 -1.26 -4.91 135.00 130.43 1jqb s PRO 3341Ca 0.03 1.00 0.04 0.00 0.04 0.00 0.00 61.00 62.10 1jqb s PRO 3341Cb -0.01 -1.80 0.21 0.00 0.04 0.00 0.00 34.50 32.95 1jqb s PRO 3341CO 0.75 -2.27 0.99 1.63 0.04 0.00 0.00 177.00 178.14 1jqb n LYS 3342N -3.93 0.84 -0.03 4.56 4.01 -1.26 -3.07 118.16 119.29 1jqb n LYS 3342Ca 0.08 0.00 0.03 0.00 -0.51 0.00 0.00 58.31 57.90 1jqb n LYS 3342Cb 0.54 -1.07 0.04 0.00 -0.51 0.00 0.00 35.03 34.03 1jqb n LYS 3342CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1jqb n ASP 3343N -0.57 1.97 -4.49 4.39 5.75 -1.26 -4.41 116.55 117.93 1jqb n ASP 3343Ca 0.03 -2.24 -0.33 0.00 -0.01 0.00 0.00 54.79 52.24 1jqb n ASP 3343Cb 0.01 -0.12 -0.13 0.00 -1.03 0.00 0.00 41.12 39.86 1jqb n ASP 3343CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1jqb s LEU 3344N -1.44 2.80 0.02 -2.12 2.96 -1.17 -4.92 118.68 114.81 1jqb s LEU 3344Ca 0.08 -0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 53.80 1jqb s LEU 3344Cb 0.07 -1.58 -0.00 0.00 0.50 0.00 0.00 46.19 45.18 1jqb s LEU 3344CO 0.01 0.34 -0.01 -0.38 -1.32 0.00 0.00 176.35 174.99 1jqb n ILE 3345N 2.20 0.35 -3.97 6.68 5.41 -1.26 -4.91 119.36 123.85 1jqb n ILE 3345Ca -0.17 0.14 -0.09 0.00 1.00 0.00 0.00 62.75 63.63 1jqb n ILE 3345Cb 0.52 -1.22 -0.11 0.00 -0.71 0.00 0.00 39.64 38.12 1jqb n ILE 3345CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1jqb s LYS 3346N -1.30 0.30 0.04 0.38 -0.14 -0.54 -4.67 119.74 113.81 1jqb s LYS 3346Ca -0.01 -0.57 0.08 0.00 -1.36 0.00 0.00 55.97 54.11 1jqb s LYS 3346Cb 0.00 0.11 -0.03 0.00 -1.68 0.00 0.00 37.83 36.23 1jqb s LYS 3346CO 0.01 -0.05 -0.22 0.00 -0.76 0.00 0.00 175.35 174.33 1jqb s ALA 3347N -1.38 2.43 -0.11 5.17 0.00 -1.26 -1.73 121.76 124.87 1jqb s ALA 3347Ca -0.15 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 50.59 1jqb s ALA 3347Cb -0.09 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.43 1jqb s ALA 3347CO -0.01 0.55 -0.13 0.08 0.00 0.00 0.00 175.76 176.25 1jqb s VAL 3348N -0.86 1.38 -0.36 0.00 1.01 0.43 -4.09 120.40 117.90 1jqb s VAL 3348Ca 0.13 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.45 1jqb s VAL 3348Cb -0.10 -1.29 0.02 0.00 0.00 0.00 0.00 36.38 35.02 1jqb s VAL 3348CO 0.04 0.42 0.19 -0.69 0.00 0.00 0.00 175.10 175.05 1jqb s VAL 3349N 1.13 4.50 0.06 2.92 1.01 -0.51 -1.21 120.40 128.30 1jqb s VAL 3349Ca -0.04 -0.83 -0.21 0.00 0.00 0.00 0.00 61.98 60.89 1jqb s VAL 3349Cb -0.14 -3.49 -0.06 0.00 0.00 0.00 0.00 36.38 32.69 1jqb s VAL 3349CO -0.03 -0.19 0.63 -0.63 0.00 0.00 0.00 175.10 174.88 1jqb s ILE 3350N 1.55 4.74 -2.76 2.22 1.01 -0.78 -2.11 121.20 125.07 1jqb s ILE 3350Ca 0.02 1.35 0.22 0.00 0.00 0.00 0.00 60.65 62.24 1jqb s ILE 3350Cb -0.19 -3.97 0.17 0.00 0.01 0.00 0.00 42.46 38.48 1jqb s ILE 3350CO 0.06 0.48 1.20 0.18 0.00 0.00 0.00 174.94 176.86