#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iy9 n GLU 3003N 0.00 2.64 -3.65 -1.46 -0.58 -1.26 -5.03 120.64 111.30 1iy9 n GLU 3003Ca 0.00 -4.65 -0.39 0.00 -0.42 0.00 0.00 57.16 51.70 1iy9 n GLU 3003Cb 0.00 -2.20 -0.12 0.00 -0.57 0.00 0.00 31.44 28.55 1iy9 n GLU 3003CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1iy9 s LEU 3004N -2.72 4.09 0.03 -4.62 2.96 -1.26 -5.07 118.68 112.09 1iy9 s LEU 3004Ca 0.42 -0.47 0.05 0.00 -0.22 0.00 0.00 54.13 53.91 1iy9 s LEU 3004Cb 0.19 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 1iy9 s LEU 3004CO -0.05 -0.18 -0.15 0.26 -1.32 0.00 0.00 176.35 174.90 1iy9 s TRP 3005N 1.63 1.34 -0.20 5.38 0.52 -1.26 -0.74 118.94 125.60 1iy9 s TRP 3005Ca 0.05 -0.33 -0.04 0.00 0.02 0.00 0.00 56.10 55.80 1iy9 s TRP 3005Cb -0.17 -0.81 -0.01 0.00 -1.15 0.00 0.00 33.47 31.33 1iy9 s TRP 3005CO 0.07 0.03 -0.04 -0.47 0.02 0.00 0.00 176.95 176.56 1iy9 s TYR 3006N -0.74 2.97 -0.08 -1.98 6.04 -0.08 -4.93 117.35 118.55 1iy9 s TYR 3006Ca 0.03 -0.73 0.02 0.00 0.04 0.00 0.00 57.07 56.43 1iy9 s TYR 3006Cb -0.08 -2.07 -0.02 0.00 -1.04 0.00 0.00 41.96 38.75 1iy9 s TYR 3006CO 0.01 -0.40 -0.12 0.99 -1.54 0.00 0.00 175.55 174.50 1iy9 s THR 3007N 1.17 3.24 -0.26 4.34 2.01 -1.26 -0.89 115.64 123.99 1iy9 s THR 3007Ca 0.02 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.39 1iy9 s THR 3007Cb -0.14 -2.32 0.04 0.00 0.01 0.00 0.00 72.50 70.09 1iy9 s THR 3007CO -0.00 0.57 -0.07 -0.70 -0.69 0.00 0.00 174.62 173.72 1iy9 s GLU 3008N -0.39 2.53 -0.94 4.92 2.12 -0.45 -5.01 118.70 121.49 1iy9 s GLU 3008Ca 0.05 -1.18 -0.24 0.00 0.36 0.00 0.00 54.97 53.96 1iy9 s GLU 3008Cb -0.12 -2.97 0.05 0.00 0.26 0.00 0.00 34.13 31.34 1iy9 s GLU 3008CO 0.02 -0.51 1.38 0.15 -0.54 0.00 0.00 175.26 175.77 1iy9 s LYS 3009N 1.22 3.48 0.00 4.30 -0.14 -1.26 -2.05 119.74 125.29 1iy9 s LYS 3009Ca -0.04 -0.92 0.11 0.00 -1.36 0.00 0.00 55.97 53.77 1iy9 s LYS 3009Cb -0.18 -5.01 0.53 0.00 -1.68 0.00 0.00 37.83 31.48 1iy9 s LYS 3009CO -0.04 -2.17 1.32 1.04 -0.76 0.00 0.00 175.35 174.74 1iy9 n GLN 3010N 8.88 0.07 -3.55 1.68 6.02 -0.22 -4.65 117.38 125.61 1iy9 n GLN 3010Ca 0.24 0.25 -0.11 0.00 -0.01 0.00 0.00 57.00 57.37 1iy9 n GLN 3010Cb 0.50 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.23 1iy9 n GLN 3010CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1iy9 s THR 3011N -2.81 0.02 0.53 5.09 2.01 -0.54 -4.96 115.64 114.98 1iy9 s THR 3011Ca 0.08 -0.33 0.30 0.00 0.31 0.00 0.00 61.69 62.05 1iy9 s THR 3011Cb 0.08 -1.20 0.34 0.00 0.01 0.00 0.00 72.50 71.73 1iy9 s THR 3011CO 0.19 -0.10 2.20 0.11 -0.69 0.00 0.00 174.62 176.34 1iy9 h LYS 3012N 2.12 0.00 -0.21 4.92 1.57 -2.01 -3.07 116.57 119.89 1iy9 h LYS 3012Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1iy9 h LYS 3012Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1iy9 h LYS 3012CO 0.39 0.04 0.00 0.09 -0.57 0.00 0.00 179.45 179.40 1iy9 n ASN 3013N -3.71 2.65 -3.56 0.86 3.02 -1.26 -5.03 115.26 108.24 1iy9 n ASN 3013Ca -0.03 -2.11 -0.16 0.00 -0.03 0.00 0.00 54.58 52.26 1iy9 n ASN 3013Cb 0.14 -0.18 -0.06 0.00 -0.61 0.00 0.00 39.78 39.06 1iy9 n ASN 3013CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1iy9 s PHE 3014N -1.19 -0.66 0.08 3.10 5.36 -1.16 -5.10 117.98 118.41 1iy9 s PHE 3014Ca 0.17 1.28 -0.25 0.00 -0.96 0.00 0.00 56.93 57.17 1iy9 s PHE 3014Cb 0.10 0.38 0.09 0.00 -0.34 0.00 0.00 43.02 43.24 1iy9 s PHE 3014CO 0.09 -0.51 1.16 0.20 -1.46 0.00 0.00 175.22 174.71 1iy9 s GLY 3015N -0.73 -0.02 0.24 13.12 0.00 -1.26 -1.06 107.32 117.61 1iy9 s GLY 3015Ca -0.07 -0.13 0.10 0.00 0.00 0.00 0.00 44.72 44.62 1iy9 s GLY 3015CO 0.06 3.89 -0.07 -0.26 0.00 0.00 0.00 173.10 176.72 1iy9 s ILE 3016N -2.11 3.19 -0.04 0.90 -4.36 -0.87 -4.92 121.20 112.99 1iy9 s ILE 3016Ca 0.25 -1.90 -0.01 0.00 -0.26 0.00 0.00 60.65 58.74 1iy9 s ILE 3016Cb -0.01 -2.66 0.03 0.00 1.25 0.00 0.00 42.46 41.07 1iy9 s ILE 3016CO 0.02 -0.28 0.03 0.28 0.24 0.00 0.00 174.94 175.23 1iy9 s THR 3017N -2.12 0.10 -0.12 8.37 -1.32 -1.26 -1.34 115.64 117.95 1iy9 s THR 3017Ca 0.29 0.24 -0.03 0.00 -1.21 0.00 0.00 61.69 60.97 1iy9 s THR 3017Cb -0.07 -0.27 -0.03 0.00 -1.51 0.00 0.00 72.50 70.61 1iy9 s THR 3017CO 0.17 0.18 0.00 -0.04 -2.21 0.00 0.00 174.62 172.72 1iy9 s MET 3018N 1.69 3.31 -0.07 7.08 -1.94 -0.07 -4.95 119.30 124.35 1iy9 s MET 3018Ca -0.01 -0.43 -0.28 0.00 -1.71 0.00 0.00 55.69 53.26 1iy9 s MET 3018Cb -0.13 -2.89 -0.02 0.00 2.01 0.00 0.00 34.83 33.81 1iy9 s MET 3018CO -0.03 0.52 0.94 0.21 -0.01 0.00 0.00 175.02 176.65 1iy9 s LYS 3019N -0.37 4.45 -0.13 2.03 2.20 -1.26 -0.90 119.74 125.76 1iy9 s LYS 3019Ca 0.07 1.29 -0.05 0.00 -0.36 0.00 0.00 55.97 56.93 1iy9 s LYS 3019Cb -0.12 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.65 1iy9 s LYS 3019CO 0.02 -0.19 0.05 0.08 -0.36 0.00 0.00 175.35 174.95 1iy9 s VAL 3020N 1.56 4.68 -0.06 4.02 1.01 0.08 -1.72 120.40 129.97 1iy9 s VAL 3020Ca 0.47 -0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.44 1iy9 s VAL 3020Cb -0.19 -3.03 -0.24 0.00 0.00 0.00 0.00 36.38 32.92 1iy9 s VAL 3020CO 0.21 0.55 0.62 0.59 0.00 0.00 0.00 175.10 177.07 1iy9 n ASN 3021N 2.65 1.13 -3.64 3.32 3.02 0.03 -4.51 115.26 117.26 1iy9 n ASN 3021Ca -0.18 0.38 -0.02 0.00 -0.03 0.00 0.00 54.58 54.73 1iy9 n ASN 3021Cb 0.53 -0.23 -0.02 0.00 -0.61 0.00 0.00 39.78 39.45 1iy9 n ASN 3021CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1iy9 s LYS 3022N -2.59 0.05 0.15 3.52 -2.85 -1.23 -5.04 119.74 111.74 1iy9 s LYS 3022Ca -0.08 -0.02 -0.07 0.00 -1.00 0.00 0.00 55.97 54.81 1iy9 s LYS 3022Cb 0.08 0.02 -0.06 0.00 -2.06 0.00 0.00 37.83 35.81 1iy9 s LYS 3022CO 0.82 -0.02 0.42 0.95 0.10 0.00 0.00 175.35 177.61 1iy9 s THR 3023N -2.06 5.10 -0.23 3.79 -4.23 -1.26 -1.14 115.64 115.61 1iy9 s THR 3023Ca 0.12 0.21 0.01 0.00 -1.18 0.00 0.00 61.69 60.84 1iy9 s THR 3023Cb -0.00 -3.63 -0.15 0.00 1.34 0.00 0.00 72.50 70.06 1iy9 s THR 3023CO -0.03 0.06 -0.21 0.18 -0.54 0.00 0.00 174.62 174.09 1iy9 n LEU 3024N 0.19 2.93 -3.64 4.79 4.77 -0.03 -4.86 117.00 121.15 1iy9 n LEU 3024Ca -0.03 -0.10 -0.09 0.00 -0.03 0.00 0.00 56.01 55.76 1iy9 n LEU 3024Cb 0.52 -0.80 -0.07 0.00 -2.33 0.00 0.00 43.42 40.73 1iy9 n LEU 3024CO 0.47 0.87 0.39 -2.28 -1.33 0.00 0.00 177.39 175.51 1iy9 s HIS 3025N -2.46 -0.96 -0.08 -1.77 5.04 -0.79 -4.96 115.29 109.32 1iy9 s HIS 3025Ca -0.31 2.02 0.00 0.00 -1.54 0.00 0.00 55.06 55.23 1iy9 s HIS 3025Cb 0.08 0.51 0.02 0.00 0.04 0.00 0.00 32.58 33.24 1iy9 s HIS 3025CO 0.53 -0.47 -0.06 0.99 -2.34 0.00 0.00 174.74 173.39 1iy9 s THR 3026N 1.22 0.79 -0.26 0.89 2.01 -1.26 0.21 115.64 119.24 1iy9 s THR 3026Ca -0.07 -0.19 -0.23 0.00 0.31 0.00 0.00 61.69 61.51 1iy9 s THR 3026Cb -0.05 -0.82 0.07 0.00 0.01 0.00 0.00 72.50 71.71 1iy9 s THR 3026CO -0.13 0.31 0.69 -0.70 -0.69 0.00 0.00 174.62 174.10 1iy9 s GLU 3027N 1.40 0.80 -0.32 4.92 2.12 -0.42 -5.02 118.70 122.17 1iy9 s GLU 3027Ca -0.02 0.97 -0.17 0.00 0.36 0.00 0.00 54.97 56.11 1iy9 s GLU 3027Cb -0.13 0.38 -0.01 0.00 0.26 0.00 0.00 34.13 34.62 1iy9 s GLU 3027CO -0.04 -0.10 0.45 -1.14 -0.54 0.00 0.00 175.26 173.90 1iy9 s GLN 3028N 0.45 3.74 0.65 4.30 2.00 -1.26 -0.95 119.66 128.58 1iy9 s GLN 3028Ca -0.01 -0.13 -0.02 0.00 -2.00 0.00 0.00 55.36 53.21 1iy9 s GLN 3028Cb -0.05 -3.76 0.07 0.00 0.80 0.00 0.00 33.01 30.07 1iy9 s GLN 3028CO -0.00 -0.51 0.91 0.99 -0.50 0.00 0.00 175.29 176.18 1iy9 s THR 3029N 2.23 2.40 0.46 -0.34 2.01 0.80 -4.98 115.64 118.22 1iy9 s THR 3029Ca 0.17 -0.52 0.21 0.00 0.31 0.00 0.00 61.69 61.86 1iy9 s THR 3029Cb -0.16 -2.88 0.25 0.00 0.01 0.00 0.00 72.50 69.72 1iy9 s THR 3029CO 0.12 0.00 2.06 -0.33 -0.69 0.00 0.00 174.62 175.78 1iy9 h GLU 3030N -0.32 0.00 0.00 4.92 3.07 -2.00 -3.30 114.58 116.96 1iy9 h GLU 3030Ca -0.41 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.18 1iy9 h GLU 3030Cb 1.29 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.15 1iy9 h GLU 3030CO 0.51 0.13 -2.03 1.19 -1.40 0.00 0.00 179.01 177.41 1iy9 n PHE 3031N -4.02 0.00 -3.83 4.33 3.01 -1.26 -5.11 117.46 110.58 1iy9 n PHE 3031Ca -0.02 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.37 1iy9 n PHE 3031Cb 0.21 -0.71 0.02 0.00 -0.01 0.00 0.00 39.48 38.99 1iy9 n PHE 3031CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 1iy9 s GLN 3032N -2.36 1.91 -0.46 -1.08 -2.07 -1.24 -5.09 119.66 109.27 1iy9 s GLN 3032Ca -0.17 -1.20 -0.17 0.00 -1.82 0.00 0.00 55.36 52.00 1iy9 s GLN 3032Cb 0.05 0.55 0.04 0.00 -1.09 0.00 0.00 33.01 32.57 1iy9 s GLN 3032CO 0.50 -0.89 0.48 -1.58 -1.32 0.00 0.00 175.29 172.48 1iy9 s HIS 3033N -2.53 3.16 -0.07 9.60 5.65 -1.26 -0.14 115.29 129.69 1iy9 s HIS 3033Ca 0.16 -0.56 -0.20 0.00 0.25 0.00 0.00 55.06 54.71 1iy9 s HIS 3033Cb -0.04 -3.13 -0.04 0.00 -1.18 0.00 0.00 32.58 28.18 1iy9 s HIS 3033CO 0.09 -0.81 0.57 -1.17 -0.65 0.00 0.00 174.74 172.77 1iy9 s LEU 3034N 2.14 4.33 -0.27 8.88 1.98 -0.12 -1.35 118.68 134.27 1iy9 s LEU 3034Ca 0.11 1.02 -0.03 0.00 -2.89 0.00 0.00 54.13 52.34 1iy9 s LEU 3034Cb -0.19 -2.87 0.11 0.00 0.66 0.00 0.00 46.19 43.90 1iy9 s LEU 3034CO 0.11 -0.00 0.19 -1.61 -1.89 0.00 0.00 176.35 173.15 1iy9 s GLU 3035N 0.43 0.22 -0.01 1.98 2.02 -0.69 -1.30 118.70 121.35 1iy9 s GLU 3035Ca 0.31 -0.28 -0.18 0.00 0.02 0.00 0.00 54.97 54.84 1iy9 s GLU 3035Cb -0.17 -1.05 -0.05 0.00 0.10 0.00 0.00 34.13 32.96 1iy9 s GLU 3035CO 0.14 -0.95 0.52 -1.64 0.02 0.00 0.00 175.26 173.35 1iy9 s MET 3036N 2.22 4.21 0.02 1.61 -1.94 0.13 -1.47 119.30 124.09 1iy9 s MET 3036Ca 0.08 0.60 -0.00 0.00 -1.71 0.00 0.00 55.69 54.66 1iy9 s MET 3036Cb -0.15 -3.31 -0.02 0.00 2.01 0.00 0.00 34.83 33.35 1iy9 s MET 3036CO -0.30 0.45 -0.03 0.08 -0.01 0.00 0.00 175.02 175.21 1iy9 s VAL 3037N -0.41 0.12 -0.36 -6.03 1.01 -0.01 -0.85 120.40 113.87 1iy9 s VAL 3037Ca 0.28 -0.98 -0.12 0.00 0.00 0.00 0.00 61.98 61.16 1iy9 s VAL 3037Cb -0.17 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 35.85 1iy9 s VAL 3037CO 0.15 -0.54 0.22 -0.70 0.00 0.00 0.00 175.10 174.23 1iy9 s GLU 3038N -1.66 3.09 0.14 2.72 2.12 -0.29 -0.26 118.70 124.57 1iy9 s GLU 3038Ca -0.14 -0.91 -0.00 0.00 0.36 0.00 0.00 54.97 54.28 1iy9 s GLU 3038Cb -0.09 -3.75 -0.04 0.00 0.26 0.00 0.00 34.13 30.51 1iy9 s GLU 3038CO -0.02 -0.60 0.32 0.95 -0.54 0.00 0.00 175.26 175.37 1iy9 s THR 3039N 1.62 5.28 0.18 -1.70 -4.23 -0.44 -0.79 115.64 115.55 1iy9 s THR 3039Ca 0.04 -0.40 0.02 0.00 -1.18 0.00 0.00 61.69 60.16 1iy9 s THR 3039Cb -0.18 -3.70 -0.13 0.00 1.34 0.00 0.00 72.50 69.84 1iy9 s THR 3039CO 0.08 -0.05 1.41 -0.08 -0.54 0.00 0.00 174.62 175.45 1iy9 h GLU 3040N 2.41 0.24 0.15 3.99 4.57 -1.62 -2.59 114.58 121.74 1iy9 h GLU 3040Ca -0.47 -0.23 -0.24 0.00 -1.18 0.00 0.00 59.36 57.24 1iy9 h GLU 3040Cb 1.18 0.06 0.02 0.00 -0.16 0.00 0.00 28.75 29.85 1iy9 h GLU 3040CO 0.71 0.93 -1.12 1.49 -1.18 0.00 0.00 179.01 179.84 1iy9 h GLU 3041N 0.15 0.32 -0.13 1.92 4.57 -1.96 -3.40 114.58 116.06 1iy9 h GLU 3041Ca -0.04 -0.54 0.00 0.00 -1.18 0.00 0.00 59.36 57.60 1iy9 h GLU 3041Cb 1.41 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 30.20 1iy9 h GLU 3041CO 0.13 1.26 0.00 1.19 -1.18 0.00 0.00 179.01 180.41 1iy9 n PHE 3042N -3.99 0.16 -3.84 0.92 3.01 -1.26 -4.93 117.46 107.52 1iy9 n PHE 3042Ca -0.18 -0.18 0.00 0.00 1.01 0.00 0.00 57.45 58.10 1iy9 n PHE 3042Cb 0.89 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.35 1iy9 n PHE 3042CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1iy9 n GLY 3043N 0.54 -1.06 3.75 1.37 0.00 -0.98 -1.05 105.19 107.76 1iy9 n GLY 3043Ca 0.08 -1.26 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 1iy9 n GLY 3043CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1iy9 s ASN 3044N -4.00 6.70 -0.01 1.61 0.01 -1.26 -1.33 114.94 116.65 1iy9 s ASN 3044Ca 0.00 2.66 0.03 0.00 -0.71 0.00 0.00 52.86 54.85 1iy9 s ASN 3044Cb 0.00 -2.63 -0.01 0.00 0.41 0.00 0.00 41.25 39.02 1iy9 s ASN 3044CO 0.00 -0.64 -0.11 -0.32 -1.51 0.00 0.00 177.10 174.52 1iy9 s MET 3045N -0.82 0.91 -0.16 -0.60 1.75 0.65 -1.36 119.30 119.67 1iy9 s MET 3045Ca 0.56 -0.40 -0.04 0.00 -1.25 0.00 0.00 55.69 54.57 1iy9 s MET 3045Cb -0.41 -0.88 -0.03 0.00 2.84 0.00 0.00 34.83 36.36 1iy9 s MET 3045CO 0.46 0.24 -0.04 -1.17 -0.65 0.00 0.00 175.02 173.86 1iy9 s LEU 3046N -0.24 3.22 -0.06 4.11 2.96 -0.56 -0.83 118.68 127.26 1iy9 s LEU 3046Ca 0.04 -0.15 0.04 0.00 -0.22 0.00 0.00 54.13 53.84 1iy9 s LEU 3046Cb -0.04 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 1iy9 s LEU 3046CO -0.00 0.16 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.64 1iy9 s PHE 3047N 0.42 2.60 -0.18 5.38 0.40 -0.54 -0.39 117.98 125.67 1iy9 s PHE 3047Ca -0.04 -0.46 0.01 0.00 -0.60 0.00 0.00 56.93 55.84 1iy9 s PHE 3047Cb -0.14 -1.65 0.03 0.00 0.51 0.00 0.00 43.02 41.77 1iy9 s PHE 3047CO 0.03 -0.04 -0.13 -0.51 0.70 0.00 0.00 175.22 175.26 1iy9 s LEU 3048N -0.33 2.04 -1.37 -0.37 1.43 0.13 -1.71 118.68 118.50 1iy9 s LEU 3048Ca 0.02 -0.70 -0.07 0.00 -1.03 0.00 0.00 54.13 52.36 1iy9 s LEU 3048Cb -0.13 -1.26 0.03 0.00 0.03 0.00 0.00 46.19 44.87 1iy9 s LEU 3048CO 0.02 -0.09 0.95 0.47 0.23 0.00 0.00 176.35 177.94 1iy9 n ASP 3049N 4.70 -3.69 0.00 2.29 8.00 -0.45 -1.82 116.55 125.58 1iy9 n ASP 3049Ca -0.17 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.63 1iy9 n ASP 3049Cb 0.48 -4.41 0.00 0.00 -0.02 0.00 0.00 41.12 37.18 1iy9 n ASP 3049CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iy9 n GLY 3050N -1.64 0.68 3.53 0.44 0.00 -1.26 -5.01 105.19 101.93 1iy9 n GLY 3050Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 1iy9 n GLY 3050CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1iy9 s MET 3051N -0.30 2.50 0.15 1.61 -1.94 -0.76 -4.77 119.30 115.80 1iy9 s MET 3051Ca 0.00 -0.71 -0.31 0.00 -1.71 0.00 0.00 55.69 52.95 1iy9 s MET 3051Cb 0.00 -2.43 -0.10 0.00 2.01 0.00 0.00 34.83 34.31 1iy9 s MET 3051CO 0.00 0.61 1.58 0.08 -0.01 0.00 0.00 175.02 177.28 1iy9 s VAL 3052N -0.85 2.66 -0.15 -6.03 1.01 -1.26 -0.70 120.40 115.09 1iy9 s VAL 3052Ca 0.14 0.44 -0.16 0.00 0.00 0.00 0.00 61.98 62.40 1iy9 s VAL 3052Cb -0.11 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 1iy9 s VAL 3052CO 0.03 0.03 -0.31 0.80 0.00 0.00 0.00 175.10 175.66 1iy9 n MET 3053N 4.17 0.46 -3.96 2.72 0.00 0.48 -4.89 117.12 116.09 1iy9 n MET 3053Ca 0.14 0.18 -0.09 0.00 0.00 0.00 0.00 57.70 57.93 1iy9 n MET 3053Cb 0.39 -1.31 -0.04 0.00 0.00 0.00 0.00 33.22 32.26 1iy9 n MET 3053CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1iy9 s THR 3054N -2.79 0.00 0.06 1.12 -4.23 -1.22 -5.01 115.64 103.57 1iy9 s THR 3054Ca -0.25 -1.32 -0.13 0.00 -1.18 0.00 0.00 61.69 58.81 1iy9 s THR 3054Cb 0.04 -2.31 0.02 0.00 1.34 0.00 0.00 72.50 71.58 1iy9 s THR 3054CO 0.38 0.00 0.28 -0.94 -0.54 0.00 0.00 174.62 173.79 1iy9 s SER 3055N -3.04 -0.07 0.25 3.99 1.04 -1.26 -1.50 113.70 113.11 1iy9 s SER 3055Ca 0.21 -0.29 -0.06 0.00 0.48 0.00 0.00 55.95 56.29 1iy9 s SER 3055Cb -0.02 0.35 0.28 0.00 0.10 0.00 0.00 66.02 66.73 1iy9 s SER 3055CO 0.11 -0.64 1.92 -0.33 0.98 0.00 0.00 173.24 175.27 1iy9 h GLU 3056N 3.12 1.27 -0.57 4.02 5.08 -1.02 -2.23 114.58 124.25 1iy9 h GLU 3056Ca -0.32 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 57.86 1iy9 h GLU 3056Cb 1.20 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1iy9 h GLU 3056CO 0.48 0.84 -0.05 -0.22 -1.00 0.00 0.00 179.01 179.06 1iy9 h LYS 3057N 1.31 1.02 0.00 2.33 3.64 -1.38 -3.35 116.57 120.14 1iy9 h LYS 3057Ca 0.38 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1iy9 h LYS 3057Cb -0.09 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1iy9 h LYS 3057CO -0.10 1.03 0.00 -0.40 -2.27 0.00 0.00 179.45 177.72 1iy9 n ASP 3058N -4.16 1.76 -0.01 4.20 5.75 -1.20 -4.72 116.55 118.17 1iy9 n ASP 3058Ca 0.02 -1.83 0.20 0.00 -0.01 0.00 0.00 54.79 53.18 1iy9 n ASP 3058Cb 0.37 0.00 0.68 0.00 -1.03 0.00 0.00 41.12 41.14 1iy9 n ASP 3058CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1iy9 h GLU 3059N 0.00 0.02 -0.20 0.11 -0.00 -1.55 -2.87 114.58 110.09 1iy9 h GLU 3059Ca 0.00 -0.00 0.06 0.00 -0.00 0.00 0.00 59.36 59.42 1iy9 h GLU 3059Cb 0.47 -0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.21 1iy9 h GLU 3059CO 0.00 0.01 0.15 0.27 -0.00 0.00 0.00 179.01 179.44 1iy9 h PHE 3060N 0.02 0.00 0.72 2.06 -5.15 -1.86 -2.82 116.94 109.91 1iy9 h PHE 3060Ca 0.25 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.99 1iy9 h PHE 3060Cb 0.99 0.00 0.01 0.00 0.22 0.00 0.00 35.95 37.17 1iy9 h PHE 3060CO -0.00 0.00 -0.35 0.28 -2.00 0.00 0.00 178.31 176.24 1iy9 h VAL 3061N 0.00 0.00 -0.23 0.88 2.07 -1.86 -0.97 116.25 116.14 1iy9 h VAL 3061Ca 0.09 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.50 1iy9 h VAL 3061Cb 0.39 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.11 1iy9 h VAL 3061CO -0.00 0.00 -0.07 0.22 0.02 0.00 0.00 177.57 177.74 1iy9 h TYR 3062N -1.13 -0.16 -0.48 1.57 3.20 -1.76 -1.00 116.97 117.21 1iy9 h TYR 3062Ca -0.10 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.80 1iy9 h TYR 3062Cb 0.74 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 39.09 1iy9 h TYR 3062CO 0.02 -0.12 0.31 0.45 -1.64 0.00 0.00 178.16 177.19 1iy9 h HIS 3063N -0.02 0.59 -0.23 -3.82 3.86 -1.55 -1.54 115.15 112.44 1iy9 h HIS 3063Ca 0.11 0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.26 1iy9 h HIS 3063Cb 0.19 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1iy9 h HIS 3063CO -0.25 0.37 -0.15 0.93 0.86 0.00 0.00 177.93 179.69 1iy9 h GLU 3064N 0.64 0.51 0.00 2.45 5.08 -0.93 -2.83 114.58 119.50 1iy9 h GLU 3064Ca 0.18 -0.24 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 1iy9 h GLU 3064Cb -0.06 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1iy9 h GLU 3064CO -0.05 0.80 -0.57 0.52 -1.00 0.00 0.00 179.01 178.72 1iy9 h MET 3065N 0.21 0.00 -0.09 2.33 2.86 -1.15 0.99 114.93 120.08 1iy9 h MET 3065Ca 0.05 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.49 1iy9 h MET 3065Cb 0.68 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.34 1iy9 h MET 3065CO 0.04 0.57 -0.76 0.28 1.06 0.00 0.00 176.91 178.10 1iy9 h VAL 3066N 0.00 1.35 0.00 -2.22 2.07 -1.35 -3.30 116.25 112.81 1iy9 h VAL 3066Ca -0.01 -2.12 -0.04 0.00 0.82 0.00 0.00 66.70 65.35 1iy9 h VAL 3066Cb 1.02 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 1iy9 h VAL 3066CO 0.07 0.65 -0.41 0.00 0.02 0.00 0.00 177.57 177.90 1iy9 h ALA 3067N 0.82 0.05 -0.03 1.67 0.00 -1.36 -3.40 119.26 117.01 1iy9 h ALA 3067Ca -0.04 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.31 1iy9 h ALA 3067Cb 1.36 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1iy9 h ALA 3067CO 0.14 0.30 -0.32 0.45 0.00 0.00 0.00 179.25 179.82 1iy9 h HIS 3068N -1.00 0.05 0.08 0.00 -0.00 -0.99 -2.54 115.15 110.75 1iy9 h HIS 3068Ca -0.07 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.29 1iy9 h HIS 3068Cb 0.59 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.98 1iy9 h HIS 3068CO -0.01 0.37 -0.04 0.28 -0.00 0.00 0.00 177.93 178.53 1iy9 h VAL 3069N 0.04 1.07 -0.08 2.45 2.07 -1.73 -2.13 116.25 117.94 1iy9 h VAL 3069Ca 0.00 -0.55 -0.14 0.00 0.82 0.00 0.00 66.70 66.83 1iy9 h VAL 3069Cb 0.59 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1iy9 h VAL 3069CO 0.04 0.14 -0.57 1.55 0.02 0.00 0.00 177.57 178.74 1iy9 h PRO 3070N -0.36 0.25 -0.40 1.57 0.13 -1.77 -2.22 132.00 129.21 1iy9 h PRO 3070Ca -0.01 -0.16 -0.07 0.00 -0.87 0.00 0.00 66.00 64.89 1iy9 h PRO 3070Cb 0.31 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.44 1iy9 h PRO 3070CO 0.02 0.75 -0.01 -0.07 -0.23 0.00 0.00 178.00 178.47 1iy9 h LEU 3071N 0.19 0.70 -0.67 1.56 3.38 -1.47 -1.74 115.31 117.26 1iy9 h LEU 3071Ca -0.00 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.60 1iy9 h LEU 3071Cb 1.06 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1iy9 h LEU 3071CO 0.09 0.84 -0.28 -0.26 0.09 0.00 0.00 178.44 178.92 1iy9 h PHE 3072N 0.53 0.00 -0.20 1.13 -1.00 -1.38 -2.85 116.94 113.16 1iy9 h PHE 3072Ca 0.11 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.77 1iy9 h PHE 3072Cb 0.49 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.04 1iy9 h PHE 3072CO 0.04 0.28 -0.37 1.15 -1.61 0.00 0.00 178.31 177.79 1iy9 h THR 3073N 0.00 1.30 -3.42 -1.55 2.02 -1.15 -3.42 112.91 106.69 1iy9 h THR 3073Ca -0.00 -1.49 -0.54 0.00 0.77 0.00 0.00 66.41 65.14 1iy9 h THR 3073Cb 0.96 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.90 1iy9 h THR 3073CO 0.04 0.46 0.35 -2.28 0.37 0.00 0.00 175.52 174.46 1iy9 s HIS 3074N -4.27 3.67 0.54 3.16 5.65 -0.67 -4.75 115.29 118.61 1iy9 s HIS 3074Ca -0.06 1.68 0.26 0.00 0.25 0.00 0.00 55.06 57.19 1iy9 s HIS 3074Cb 0.13 -3.10 1.62 0.00 -1.18 0.00 0.00 32.58 30.05 1iy9 s HIS 3074CO 0.80 0.01 2.19 -1.00 -0.65 0.00 0.00 174.74 176.10 1iy9 h PRO 3075N 6.70 0.00 -0.66 2.88 0.13 -1.82 -3.39 132.00 135.84 1iy9 h PRO 3075Ca -0.41 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.68 1iy9 h PRO 3075Cb 1.22 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.18 1iy9 h PRO 3075CO 0.75 0.03 -0.32 1.21 -0.23 0.00 0.00 178.00 179.43 1iy9 s ASN 3076N -6.38 -0.98 0.09 1.44 3.04 -1.26 -5.12 114.94 105.77 1iy9 s ASN 3076Ca -0.05 -0.90 -0.30 0.00 0.04 0.00 0.00 52.86 51.65 1iy9 s ASN 3076Cb 0.15 1.27 -0.06 0.00 -1.54 0.00 0.00 41.25 41.08 1iy9 s ASN 3076CO 0.58 -0.06 1.11 -2.84 -3.04 0.00 0.00 177.10 172.85 1iy9 s PRO 3077N 1.30 4.52 0.00 0.43 0.02 -1.26 -4.92 135.00 135.09 1iy9 s PRO 3077Ca 0.23 1.66 0.00 0.00 0.02 0.00 0.00 61.00 62.91 1iy9 s PRO 3077Cb 0.03 -3.35 0.00 0.00 0.02 0.00 0.00 34.50 31.20 1iy9 s PRO 3077CO -0.09 -0.09 0.00 0.39 -0.33 0.00 0.00 177.00 176.89 1iy9 n GLU 3078N 3.38 1.40 -4.00 5.54 1.02 -1.26 -2.76 120.64 123.98 1iy9 n GLU 3078Ca 0.06 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.89 1iy9 n GLU 3078Cb 0.47 -0.84 -0.16 0.00 -0.02 0.00 0.00 31.44 30.90 1iy9 n GLU 3078CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1iy9 s HIS 3079N -1.68 2.58 0.01 -0.32 3.76 -1.26 -0.12 115.29 118.26 1iy9 s HIS 3079Ca 0.00 -1.78 0.08 0.00 -0.15 0.00 0.00 55.06 53.21 1iy9 s HIS 3079Cb 0.00 -1.68 -0.02 0.00 1.11 0.00 0.00 32.58 31.98 1iy9 s HIS 3079CO 0.00 -0.78 -0.24 0.08 -0.85 0.00 0.00 174.74 172.95 1iy9 s VAL 3080N 1.34 1.95 -0.07 -0.90 1.01 -0.94 -0.05 120.40 122.74 1iy9 s VAL 3080Ca -0.04 -1.17 0.05 0.00 0.00 0.00 0.00 61.98 60.82 1iy9 s VAL 3080Cb -0.18 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 1iy9 s VAL 3080CO -0.07 0.44 -0.24 -0.22 0.00 0.00 0.00 175.10 175.01 1iy9 s LEU 3081N -0.87 2.05 -0.19 3.92 2.96 -0.35 -0.73 118.68 125.47 1iy9 s LEU 3081Ca 0.10 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 1iy9 s LEU 3081Cb -0.09 -1.33 0.02 0.00 0.50 0.00 0.00 46.19 45.28 1iy9 s LEU 3081CO 0.00 0.21 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.38 1iy9 s VAL 3082N -0.02 2.20 -0.24 1.68 1.01 -0.06 -0.17 120.40 124.80 1iy9 s VAL 3082Ca -0.07 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 60.92 1iy9 s VAL 3082Cb -0.15 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1iy9 s VAL 3082CO 0.05 0.51 0.05 -0.69 0.00 0.00 0.00 175.10 175.02 1iy9 s VAL 3083N 1.30 4.20 0.00 2.92 1.01 -0.35 -1.13 120.40 128.36 1iy9 s VAL 3083Ca 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1iy9 s VAL 3083Cb -0.13 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1iy9 s VAL 3083CO -0.12 0.36 0.00 0.61 0.00 0.00 0.00 175.10 175.96 1iy9 n GLY 3084N 4.78 0.47 2.90 4.51 0.00 0.55 -2.07 105.19 116.33 1iy9 n GLY 3084Ca -0.16 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.52 1iy9 n GLY 3084CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iy9 n GLY 3085N -2.68 5.54 0.32 -0.02 0.00 -1.26 -4.79 105.19 102.30 1iy9 n GLY 3085Ca 0.00 -2.49 0.18 0.00 0.00 0.00 0.00 46.02 43.72 1iy9 n GLY 3085CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1iy9 h GLY 3086N 2.97 1.59 2.00 -0.02 0.00 -1.93 0.26 103.07 107.94 1iy9 h GLY 3086Ca 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1iy9 h GLY 3086CO 1.42 -0.50 0.00 2.09 0.00 0.00 0.00 176.54 179.55 1iy9 n ASP 3087N -5.28 0.33 0.00 0.19 5.68 -1.26 -3.98 116.55 112.23 1iy9 n ASP 3087Ca 0.26 0.60 0.00 0.00 -0.50 0.00 0.00 54.79 55.16 1iy9 n ASP 3087Cb 0.85 -0.67 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 1iy9 n ASP 3087CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1iy9 n GLY 3088N -0.49 0.33 0.28 6.12 0.00 0.91 -2.75 105.19 109.59 1iy9 n GLY 3088Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 1iy9 n GLY 3088CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1iy9 h GLY 3089N 0.00 0.98 1.36 -0.02 0.00 -1.77 -1.31 103.07 102.32 1iy9 h GLY 3089Ca 0.00 -0.78 -0.16 0.00 0.00 0.00 0.00 47.33 46.39 1iy9 h GLY 3089CO 0.00 0.72 -0.49 -2.08 0.00 0.00 0.00 176.54 174.68 1iy9 h VAL 3090N 0.81 1.30 -0.35 4.60 2.07 -1.88 -2.90 116.25 119.90 1iy9 h VAL 3090Ca 0.13 -1.70 -0.01 0.00 0.82 0.00 0.00 66.70 65.94 1iy9 h VAL 3090Cb 0.66 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 1iy9 h VAL 3090CO 0.05 0.54 0.19 0.40 0.02 0.00 0.00 177.57 178.77 1iy9 h ILE 3091N 0.54 1.14 -0.93 4.57 1.08 -1.86 0.61 117.51 122.67 1iy9 h ILE 3091Ca 0.02 -0.36 0.18 0.00 -0.39 0.00 0.00 64.86 64.31 1iy9 h ILE 3091Cb 1.05 0.74 -0.08 0.00 -3.07 0.00 0.00 36.82 35.46 1iy9 h ILE 3091CO 0.10 0.14 0.59 -0.09 -0.69 0.00 0.00 178.15 178.21 1iy9 h ARG 3092N 0.44 0.60 0.14 2.37 1.12 -1.14 -1.39 114.38 116.52 1iy9 h ARG 3092Ca 0.12 -0.04 -0.29 0.00 -1.11 0.00 0.00 59.98 58.67 1iy9 h ARG 3092Cb 0.06 -0.13 0.01 0.00 -0.01 0.00 0.00 29.97 29.89 1iy9 h ARG 3092CO -0.02 0.39 -1.31 0.93 -3.11 0.00 0.00 179.97 176.86 1iy9 h GLU 3093N 0.61 0.30 -0.87 0.20 4.39 -1.18 -3.30 114.58 114.74 1iy9 h GLU 3093Ca 0.49 -0.52 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1iy9 h GLU 3093Cb 0.92 0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 29.72 1iy9 h GLU 3093CO -0.24 1.24 0.54 0.82 -1.16 0.00 0.00 179.01 180.21 1iy9 h ILE 3094N 0.08 1.24 0.00 3.13 2.04 0.04 -2.49 117.51 121.55 1iy9 h ILE 3094Ca -0.16 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.20 1iy9 h ILE 3094Cb 2.00 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1iy9 h ILE 3094CO 0.21 0.24 0.00 0.18 0.00 0.00 0.00 178.15 178.78 1iy9 n LEU 3095N -4.37 0.19 0.00 1.44 4.77 -0.61 -1.66 117.00 116.75 1iy9 n LEU 3095Ca 0.10 0.57 0.13 0.00 -0.03 0.00 0.00 56.01 56.78 1iy9 n LEU 3095Cb 0.05 -0.56 0.66 0.00 -2.33 0.00 0.00 43.42 41.23 1iy9 n LEU 3095CO 0.37 -0.50 0.95 0.29 -1.33 0.00 0.00 177.39 177.18 1iy9 n LYS 3096N -1.73 0.27 -3.50 3.23 5.02 -0.94 -4.58 118.16 115.93 1iy9 n LYS 3096Ca 0.01 0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 1iy9 n LYS 3096Cb 0.09 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.50 1iy9 n LYS 3096CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1iy9 s HIS 3097N -2.71 3.24 0.43 2.13 3.76 -0.67 -4.96 115.29 116.52 1iy9 s HIS 3097Ca 0.22 -0.72 0.11 0.00 -0.15 0.00 0.00 55.06 54.51 1iy9 s HIS 3097Cb 0.18 -2.57 0.97 0.00 1.11 0.00 0.00 32.58 32.28 1iy9 s HIS 3097CO 0.44 -0.62 2.04 -1.35 -0.85 0.00 0.00 174.74 174.40 1iy9 h PRO 3098N 8.57 0.42 0.00 8.40 0.11 -1.87 -2.09 132.00 145.55 1iy9 h PRO 3098Ca -0.26 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 1iy9 h PRO 3098Cb 1.11 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1iy9 h PRO 3098CO 0.72 0.28 -0.01 0.66 -0.21 0.00 0.00 178.00 179.44 1iy9 h SER 3099N 0.43 0.00 -3.00 -2.05 4.64 -1.93 -3.41 113.55 108.23 1iy9 h SER 3099Ca 0.18 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.94 1iy9 h SER 3099Cb 0.18 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.23 1iy9 h SER 3099CO -0.04 0.01 1.06 -0.69 -0.87 0.00 0.00 176.83 176.29 1iy9 s VAL 3100N -4.36 3.91 -0.02 0.95 1.01 -0.79 -4.10 120.40 117.00 1iy9 s VAL 3100Ca -0.05 1.01 -0.20 0.00 0.00 0.00 0.00 61.98 62.75 1iy9 s VAL 3100Cb 0.14 -3.97 -0.33 0.00 0.00 0.00 0.00 36.38 32.22 1iy9 s VAL 3100CO 0.49 -0.44 0.94 0.11 0.00 0.00 0.00 175.10 176.20 1iy9 h LYS 3101N 10.19 0.40 -2.69 2.72 1.79 -0.78 -3.47 116.57 124.73 1iy9 h LYS 3101Ca -0.30 -0.68 -0.12 0.00 -2.18 0.00 0.00 60.65 57.38 1iy9 h LYS 3101Cb 1.12 0.25 -0.26 0.00 -1.58 0.00 0.00 32.23 31.76 1iy9 h LYS 3101CO 1.03 1.32 -0.29 0.21 -1.08 0.00 0.00 179.45 180.64 1iy9 s LYS 3102N -2.50 0.41 -0.24 3.15 2.20 -0.95 -4.77 119.74 117.03 1iy9 s LYS 3102Ca -0.12 0.72 -0.01 0.00 -0.36 0.00 0.00 55.97 56.20 1iy9 s LYS 3102Cb 0.02 0.04 0.03 0.00 -1.51 0.00 0.00 37.83 36.41 1iy9 s LYS 3102CO 0.88 -0.13 -0.08 0.00 -0.36 0.00 0.00 175.35 175.65 1iy9 s ALA 3103N 1.07 2.64 -0.10 3.13 0.00 -0.21 -2.21 121.76 126.08 1iy9 s ALA 3103Ca -0.07 -1.46 -0.13 0.00 0.00 0.00 0.00 51.96 50.29 1iy9 s ALA 3103Cb -0.07 -1.61 -0.05 0.00 0.00 0.00 0.00 23.12 21.39 1iy9 s ALA 3103CO -0.09 -0.80 0.32 0.99 0.00 0.00 0.00 175.76 176.19 1iy9 s THR 3104N 1.30 5.24 -0.14 0.00 2.01 0.09 -1.60 115.64 122.53 1iy9 s THR 3104Ca -0.00 0.62 0.01 0.00 0.31 0.00 0.00 61.69 62.63 1iy9 s THR 3104Cb -0.17 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.71 1iy9 s THR 3104CO -0.06 0.49 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.95 1iy9 s LEU 3105N -0.29 2.30 -0.13 4.42 2.96 -0.20 -0.89 118.68 126.85 1iy9 s LEU 3105Ca 0.19 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 53.59 1iy9 s LEU 3105Cb -0.14 -1.50 0.02 0.00 0.50 0.00 0.00 46.19 45.06 1iy9 s LEU 3105CO 0.08 0.09 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.35 1iy9 s VAL 3106N 0.76 1.62 -0.06 1.68 1.01 -0.28 -0.17 120.40 124.96 1iy9 s VAL 3106Ca -0.07 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 1iy9 s VAL 3106Cb -0.16 -1.49 0.03 0.00 0.00 0.00 0.00 36.38 34.77 1iy9 s VAL 3106CO 0.00 0.47 0.14 -0.62 0.00 0.00 0.00 175.10 175.09 1iy9 s ASP 3107N 1.19 -0.12 0.31 3.32 -1.08 -0.91 -0.33 116.67 119.06 1iy9 s ASP 3107Ca -0.01 0.28 0.05 0.00 -0.52 0.00 0.00 52.55 52.35 1iy9 s ASP 3107Cb -0.14 0.21 0.52 0.00 -1.46 0.00 0.00 42.92 42.06 1iy9 s ASP 3107CO -0.06 -0.11 1.78 0.16 0.52 0.00 0.00 175.17 177.46 1iy9 h ILE 3108N 5.67 1.25 -3.23 4.11 3.07 -1.68 -2.29 117.51 124.39 1iy9 h ILE 3108Ca -0.37 -1.14 -0.71 0.00 1.55 0.00 0.00 64.86 64.19 1iy9 h ILE 3108Cb 1.16 1.32 -0.20 0.00 -0.27 0.00 0.00 36.82 38.83 1iy9 h ILE 3108CO 0.43 0.36 -0.10 -0.62 -1.05 0.00 0.00 178.15 177.16 1iy9 s ASP 3109N -6.83 6.19 0.52 2.16 -1.08 -1.26 -4.62 116.67 111.75 1iy9 s ASP 3109Ca -0.06 -1.16 0.32 0.00 -0.52 0.00 0.00 52.55 51.13 1iy9 s ASP 3109Cb 0.14 -2.25 1.31 0.00 -1.46 0.00 0.00 42.92 40.67 1iy9 s ASP 3109CO 0.77 -0.82 1.95 1.23 0.52 0.00 0.00 175.17 178.82 1iy9 h GLY 3110N 9.33 0.00 2.00 2.66 0.00 -1.96 -2.69 103.07 112.41 1iy9 h GLY 3110Ca -0.28 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 1iy9 h GLY 3110CO 0.95 0.00 -0.07 0.50 0.00 0.00 0.00 176.54 177.92 1iy9 h LYS 3111N 0.00 0.00 -0.15 4.80 1.57 -1.97 -1.19 116.57 119.63 1iy9 h LYS 3111Ca 0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1iy9 h LYS 3111Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1iy9 h LYS 3111CO 0.00 0.07 -0.41 0.28 -0.57 0.00 0.00 179.45 178.83 1iy9 h VAL 3112N 0.00 1.35 -0.46 0.50 2.07 -1.85 -1.55 116.25 116.31 1iy9 h VAL 3112Ca -0.00 -1.69 -0.04 0.00 0.82 0.00 0.00 66.70 65.79 1iy9 h VAL 3112Cb 0.71 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 1iy9 h VAL 3112CO 0.01 0.51 0.12 0.40 0.02 0.00 0.00 177.57 178.63 1iy9 h ILE 3113N 0.16 1.23 0.14 4.57 2.04 -1.58 -0.66 117.51 123.42 1iy9 h ILE 3113Ca -0.01 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 1iy9 h ILE 3113Cb 1.02 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1iy9 h ILE 3113CO 0.09 0.29 -0.07 -0.08 0.00 0.00 0.00 178.15 178.38 1iy9 h GLU 3114N 0.62 -0.18 0.00 2.37 4.81 -1.18 -1.36 114.58 119.66 1iy9 h GLU 3114Ca 0.15 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1iy9 h GLU 3114Cb 0.32 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1iy9 h GLU 3114CO 0.00 -0.08 0.00 1.88 -0.73 0.00 0.00 179.01 180.08 1iy9 h TYR 3115N -0.22 0.00 0.03 0.92 -1.99 -1.26 -2.29 116.97 112.16 1iy9 h TYR 3115Ca -0.02 0.00 -0.24 0.00 2.00 0.00 0.00 58.73 60.47 1iy9 h TYR 3115Cb 0.17 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.91 1iy9 h TYR 3115CO -0.06 0.00 -1.01 0.77 -0.00 0.00 0.00 178.16 177.86 1iy9 h SER 3116N 0.00 0.58 -0.50 3.88 0.02 -0.96 0.47 113.55 117.04 1iy9 h SER 3116Ca 0.00 -0.48 -0.08 0.00 -0.84 0.00 0.00 61.79 60.39 1iy9 h SER 3116Cb 0.81 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 1iy9 h SER 3116CO 0.00 1.30 0.03 0.11 -1.14 0.00 0.00 176.83 177.13 1iy9 h LYS 3117N 0.23 0.91 -0.01 3.45 1.57 -1.07 0.24 116.57 121.89 1iy9 h LYS 3117Ca -0.10 -0.25 -0.16 0.00 -1.87 0.00 0.00 60.65 58.27 1iy9 h LYS 3117Cb 1.66 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 33.88 1iy9 h LYS 3117CO 0.18 0.88 -0.63 -0.22 -0.57 0.00 0.00 179.45 179.09 1iy9 h LYS 3118N 0.85 0.44 0.00 3.15 3.64 -1.35 -3.33 116.57 119.97 1iy9 h LYS 3118Ca 0.16 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1iy9 h LYS 3118Cb 0.46 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1iy9 h LYS 3118CO 0.02 1.12 -1.06 1.19 -2.27 0.00 0.00 179.45 178.44 1iy9 n PHE 3119N -4.19 0.00 -2.69 1.91 3.01 0.15 -4.61 117.46 111.03 1iy9 n PHE 3119Ca -0.10 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.12 1iy9 n PHE 3119Cb 0.68 -0.14 -0.01 0.00 -0.01 0.00 0.00 39.48 40.01 1iy9 n PHE 3119CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1iy9 n LEU 3120N -1.60 3.86 -0.27 4.37 4.77 0.84 -4.87 117.00 124.09 1iy9 n LEU 3120Ca 0.00 -5.12 0.09 0.00 -0.03 0.00 0.00 56.01 50.96 1iy9 n LEU 3120Cb 0.27 -0.26 0.33 0.00 -2.33 0.00 0.00 43.42 41.43 1iy9 n LEU 3120CO 0.27 2.18 1.23 1.55 -1.33 0.00 0.00 177.39 181.29 1iy9 h PRO 3121N 2.79 0.78 0.00 3.23 0.13 -1.66 0.21 132.00 137.48 1iy9 h PRO 3121Ca 0.18 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1iy9 h PRO 3121Cb 0.84 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1iy9 h PRO 3121CO 0.76 0.52 0.00 -1.13 -0.23 0.00 0.00 178.00 177.92 1iy9 n SER 3122N -4.54 0.00 -0.05 1.44 3.41 -1.26 0.12 113.62 112.74 1iy9 n SER 3122Ca 0.16 0.47 -0.07 0.00 -0.26 0.00 0.00 58.87 59.16 1iy9 n SER 3122Cb 0.36 -0.48 -0.04 0.00 -0.26 0.00 0.00 64.21 63.79 1iy9 n SER 3122CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1iy9 n ILE 3123N -1.48 0.52 1.13 -1.33 5.41 0.32 -4.74 119.36 119.20 1iy9 n ILE 3123Ca 0.03 -0.18 0.12 0.00 1.00 0.00 0.00 62.75 63.72 1iy9 n ILE 3123Cb 0.11 -1.02 0.20 0.00 -0.71 0.00 0.00 39.64 38.22 1iy9 n ILE 3123CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1iy9 n ALA 3124N -2.93 2.60 0.00 -1.39 0.00 0.46 -3.29 120.51 115.97 1iy9 n ALA 3124Ca -0.17 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1iy9 n ALA 3124Cb 0.66 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.21 1iy9 n ALA 3124CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iy9 n GLY 3125N 1.31 -0.48 0.83 0.00 0.00 0.12 -2.25 105.19 104.72 1iy9 n GLY 3125Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.27 1iy9 n GLY 3125CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iy9 n LYS 3126N -1.48 1.86 0.23 1.61 4.76 -1.26 -4.45 118.16 119.43 1iy9 n LYS 3126Ca 0.00 -1.77 0.16 0.00 -2.87 0.00 0.00 58.31 53.83 1iy9 n LYS 3126Cb 0.00 -1.39 0.73 0.00 -1.84 0.00 0.00 35.03 32.53 1iy9 n LYS 3126CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1iy9 h LEU 3127N 3.86 0.00 -0.92 -0.35 3.38 -1.78 -1.87 115.31 117.63 1iy9 h LEU 3127Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iy9 h LEU 3127Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1iy9 h LEU 3127CO 0.00 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 177.63 1iy9 n ASP 3128N -2.69 1.39 -4.76 -0.43 5.68 -1.26 -4.79 116.55 109.67 1iy9 n ASP 3128Ca -0.00 -1.61 -0.40 0.00 -0.50 0.00 0.00 54.79 52.28 1iy9 n ASP 3128Cb 0.19 -0.07 -0.03 0.00 -1.14 0.00 0.00 41.12 40.06 1iy9 n ASP 3128CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1iy9 s ASP 3129N -1.68 7.04 0.53 -1.12 -1.08 -0.70 -4.95 116.67 114.71 1iy9 s ASP 3129Ca 0.34 2.42 0.23 0.00 -0.52 0.00 0.00 52.55 55.02 1iy9 s ASP 3129Cb 0.18 -2.63 1.37 0.00 -1.46 0.00 0.00 42.92 40.38 1iy9 s ASP 3129CO 0.28 -0.32 2.02 1.55 0.52 0.00 0.00 175.17 179.22 1iy9 h PRO 3130N 3.57 0.00 0.00 4.34 0.13 -1.91 -0.21 132.00 137.93 1iy9 h PRO 3130Ca -0.48 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1iy9 h PRO 3130Cb 1.22 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1iy9 h PRO 3130CO 0.66 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.97 1iy9 n ARG 3131N -4.41 0.11 -3.78 0.86 1.74 -1.26 -4.82 116.66 105.10 1iy9 n ARG 3131Ca 0.07 0.16 -0.37 0.00 -0.77 0.00 0.00 57.85 56.94 1iy9 n ARG 3131Cb 0.51 -1.64 -0.06 0.00 -1.02 0.00 0.00 32.46 30.25 1iy9 n ARG 3131CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1iy9 s VAL 3132N -3.07 5.38 -0.32 1.55 1.01 -0.09 -1.05 120.40 123.81 1iy9 s VAL 3132Ca 0.11 0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.47 1iy9 s VAL 3132Cb 0.14 -3.49 0.10 0.00 0.00 0.00 0.00 36.38 33.13 1iy9 s VAL 3132CO 0.50 0.59 0.06 -0.62 0.00 0.00 0.00 175.10 175.64 1iy9 s ASP 3133N -1.09 4.41 -0.12 3.32 2.15 -0.63 -4.84 116.67 119.88 1iy9 s ASP 3133Ca 0.18 -1.88 -0.20 0.00 0.43 0.00 0.00 52.55 51.07 1iy9 s ASP 3133Cb -0.13 -1.28 -0.04 0.00 -0.30 0.00 0.00 42.92 41.17 1iy9 s ASP 3133CO 0.07 -0.39 0.58 -0.69 -0.17 0.00 0.00 175.17 174.58 1iy9 s VAL 3134N 1.23 5.11 -0.09 1.11 1.01 -1.26 -1.04 120.40 126.47 1iy9 s VAL 3134Ca 0.10 1.16 0.01 0.00 0.00 0.00 0.00 61.98 63.25 1iy9 s VAL 3134Cb -0.18 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.30 1iy9 s VAL 3134CO -0.15 0.26 -0.11 -1.10 0.00 0.00 0.00 175.10 174.00 1iy9 s GLN 3135N 0.92 1.67 -0.74 2.72 -0.21 0.76 -4.96 119.66 119.84 1iy9 s GLN 3135Ca 0.30 -0.36 -0.20 0.00 0.02 0.00 0.00 55.36 55.13 1iy9 s GLN 3135Cb -0.16 -1.53 0.11 0.00 1.00 0.00 0.00 33.01 32.43 1iy9 s GLN 3135CO 0.13 -0.11 0.92 0.08 -2.12 0.00 0.00 175.29 174.19 1iy9 s VAL 3136N 1.14 4.70 0.27 1.09 1.01 -1.26 -2.13 120.40 125.22 1iy9 s VAL 3136Ca -0.05 -1.10 -0.19 0.00 0.00 0.00 0.00 61.98 60.63 1iy9 s VAL 3136Cb -0.14 -4.64 0.02 0.00 0.00 0.00 0.00 36.38 31.61 1iy9 s VAL 3136CO -0.02 -1.34 0.66 -0.62 0.00 0.00 0.00 175.10 173.78 1iy9 s ASP 3137N 3.54 -0.24 0.01 3.32 2.15 -0.86 -4.91 116.67 119.68 1iy9 s ASP 3137Ca 0.22 -0.65 -0.01 0.00 0.43 0.00 0.00 52.55 52.54 1iy9 s ASP 3137Cb -0.15 0.69 -0.00 0.00 -0.30 0.00 0.00 42.92 43.16 1iy9 s ASP 3137CO 0.01 -1.29 0.84 -0.67 -0.17 0.00 0.00 175.17 173.89 1iy9 n ASP 3138N -0.44 -0.03 0.00 -0.34 -0.08 -1.26 -2.66 116.55 111.74 1iy9 n ASP 3138Ca -0.04 0.85 0.00 0.00 -1.51 0.00 0.00 54.79 54.09 1iy9 n ASP 3138Cb 0.60 -0.40 0.00 0.00 2.34 0.00 0.00 41.12 43.66 1iy9 n ASP 3138CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1iy9 n GLY 3139N -1.01 2.99 0.22 0.27 0.00 -1.26 -4.26 105.19 102.14 1iy9 n GLY 3139Ca 0.00 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 45.04 1iy9 n GLY 3139CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1iy9 h PHE 3140N 0.00 1.04 -0.67 1.61 -1.00 -1.92 -0.04 116.94 115.96 1iy9 h PHE 3140Ca 0.00 -0.46 -0.06 0.00 2.81 0.00 0.00 57.97 60.26 1iy9 h PHE 3140Cb 0.00 -0.16 -0.03 0.00 3.61 0.00 0.00 35.95 39.37 1iy9 h PHE 3140CO 0.00 1.29 0.17 0.52 -1.61 0.00 0.00 178.31 178.67 1iy9 h MET 3141N 0.52 1.07 -0.68 1.51 2.86 -1.85 0.15 114.93 118.51 1iy9 h MET 3141Ca -0.05 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.32 1iy9 h MET 3141Cb 1.41 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.89 1iy9 h MET 3141CO 0.16 0.94 0.32 1.25 1.06 0.00 0.00 176.91 180.64 1iy9 h HIS 3142N 1.02 0.98 -0.42 -0.22 6.17 -1.84 -0.77 115.15 120.06 1iy9 h HIS 3142Ca 0.21 -0.05 -0.14 0.00 0.71 0.00 0.00 60.37 61.10 1iy9 h HIS 3142Cb 0.35 -0.30 -0.01 0.00 2.52 0.00 0.00 27.41 29.97 1iy9 h HIS 3142CO 0.03 0.73 -0.29 0.82 0.71 0.00 0.00 177.93 179.93 1iy9 h ILE 3143N 0.94 1.27 -0.47 6.26 2.04 -0.63 -2.84 117.51 124.08 1iy9 h ILE 3143Ca 0.23 -1.46 0.03 0.00 1.00 0.00 0.00 64.86 64.67 1iy9 h ILE 3143Cb 0.13 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1iy9 h ILE 3143CO -0.03 0.49 0.32 0.00 0.00 0.00 0.00 178.15 178.93 1iy9 h ALA 3144N 0.81 1.80 -0.51 1.87 0.00 -0.53 -2.06 119.26 120.64 1iy9 h ALA 3144Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1iy9 h ALA 3144Cb 0.88 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1iy9 h ALA 3144CO 0.08 0.14 0.00 1.63 0.00 0.00 0.00 179.25 181.10 1iy9 n LYS 3145N -4.48 3.27 -4.25 0.00 5.02 -0.33 -4.93 118.16 112.46 1iy9 n LYS 3145Ca 0.05 -2.29 -0.31 0.00 -2.02 0.00 0.00 58.31 53.74 1iy9 n LYS 3145Cb 0.16 -1.80 -0.09 0.00 -0.02 0.00 0.00 35.03 33.28 1iy9 n LYS 3145CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1iy9 s SER 3146N -0.79 4.98 -0.05 4.39 0.01 -0.78 -5.05 113.70 116.42 1iy9 s SER 3146Ca 0.41 -0.11 -0.01 0.00 1.31 0.00 0.00 55.95 57.55 1iy9 s SER 3146Cb 0.27 -1.23 0.03 0.00 0.21 0.00 0.00 66.02 65.30 1iy9 s SER 3146CO 0.19 0.24 0.01 -0.70 0.41 0.00 0.00 173.24 173.39 1iy9 s GLU 3147N -1.84 0.38 0.00 12.44 2.12 -1.26 -3.78 118.70 126.77 1iy9 s GLU 3147Ca 0.22 0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.71 1iy9 s GLU 3147Cb -0.11 -0.75 0.00 0.00 0.26 0.00 0.00 34.13 33.53 1iy9 s GLU 3147CO 0.13 -0.26 0.00 0.27 -0.54 0.00 0.00 175.26 174.85 1iy9 n ASN 3148N 4.93 0.00 -0.02 -1.70 6.94 0.11 -4.84 115.26 120.68 1iy9 n ASN 3148Ca -0.11 0.00 -0.01 0.00 -0.02 0.00 0.00 54.58 54.44 1iy9 n ASN 3148Cb 0.50 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.88 1iy9 n ASN 3148CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1iy9 n GLN 3149N -0.48 2.40 -4.87 -3.83 6.02 0.13 -4.67 117.38 112.08 1iy9 n GLN 3149Ca 0.00 -0.02 -0.31 0.00 -0.01 0.00 0.00 57.00 56.67 1iy9 n GLN 3149Cb 0.00 -1.14 -0.14 0.00 1.02 0.00 0.00 30.24 29.98 1iy9 n GLN 3149CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1iy9 s TYR 3150N -2.20 2.43 -0.06 1.08 1.51 -0.94 -4.81 117.35 114.35 1iy9 s TYR 3150Ca -0.03 -0.34 -0.23 0.00 -1.01 0.00 0.00 57.07 55.46 1iy9 s TYR 3150Cb 0.02 -1.45 -0.30 0.00 -0.11 0.00 0.00 41.96 40.12 1iy9 s TYR 3150CO 0.23 0.15 0.86 -0.44 -1.11 0.00 0.00 175.55 175.24 1iy9 h ASP 3151N 4.83 0.40 -3.73 2.29 3.32 -0.81 0.34 116.42 123.06 1iy9 h ASP 3151Ca -0.46 -0.95 -0.36 0.00 0.02 0.00 0.00 57.03 55.27 1iy9 h ASP 3151Cb 1.14 -0.13 -0.31 0.00 0.22 0.00 0.00 39.33 40.26 1iy9 h ASP 3151CO 0.46 1.35 -0.76 -0.69 -1.72 0.00 0.00 179.24 177.87 1iy9 s VAL 3152N -2.40 0.46 -0.17 -1.35 1.01 -1.19 -0.81 120.40 115.95 1iy9 s VAL 3152Ca -0.15 -0.17 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 1iy9 s VAL 3152Cb 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 36.38 35.99 1iy9 s VAL 3152CO 0.81 0.17 -0.07 -0.63 0.00 0.00 0.00 175.10 175.37 1iy9 s ILE 3153N 0.33 1.27 -0.26 2.22 1.01 -0.54 -1.22 121.20 124.02 1iy9 s ILE 3153Ca -0.04 -0.74 -0.11 0.00 0.00 0.00 0.00 60.65 59.76 1iy9 s ILE 3153Cb -0.08 -1.42 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 1iy9 s ILE 3153CO -0.00 0.15 0.21 0.00 0.00 0.00 0.00 174.94 175.29 1iy9 s MET 3154N 1.56 4.02 -0.03 2.79 0.23 0.76 -1.77 119.30 126.87 1iy9 s MET 3154Ca 0.00 -0.24 0.01 0.00 -1.03 0.00 0.00 55.69 54.43 1iy9 s MET 3154Cb -0.15 -3.60 -0.03 0.00 -1.53 0.00 0.00 34.83 29.51 1iy9 s MET 3154CO -0.08 -0.08 -0.01 0.08 -2.03 0.00 0.00 175.02 172.91 1iy9 s VAL 3155N 1.46 4.13 -0.04 5.16 1.01 -0.26 -1.21 120.40 130.65 1iy9 s VAL 3155Ca 0.09 -0.51 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 1iy9 s VAL 3155Cb -0.15 -2.80 -0.00 0.00 0.00 0.00 0.00 36.38 33.43 1iy9 s VAL 3155CO 0.08 0.45 -0.01 -0.78 0.00 0.00 0.00 175.10 174.85 1iy9 h ASP 3156N 4.62 0.00 -2.99 3.32 3.58 -1.72 -3.32 116.42 119.91 1iy9 h ASP 3156Ca -0.49 0.00 -0.65 0.00 0.42 0.00 0.00 57.03 56.31 1iy9 h ASP 3156Cb 1.18 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 42.15 1iy9 h ASP 3156CO 0.56 0.18 -0.55 -0.55 -2.88 0.00 0.00 179.24 176.00 1iy9 s SER 3157N -3.91 5.93 0.00 2.28 0.15 -1.26 -4.43 113.70 112.46 1iy9 s SER 3157Ca -0.00 0.22 0.26 0.00 0.70 0.00 0.00 55.95 57.12 1iy9 s SER 3157Cb 0.00 -1.77 0.55 0.00 -1.71 0.00 0.00 66.02 63.10 1iy9 s SER 3157CO 0.01 0.27 1.45 1.07 1.20 0.00 0.00 173.24 177.24 1iy9 n THR 3158N 1.10 0.00 -4.04 6.45 5.66 -1.26 -4.78 114.28 117.41 1iy9 n THR 3158Ca -0.12 -0.32 -0.32 0.00 -3.05 0.00 0.00 64.05 60.25 1iy9 n THR 3158Cb 0.53 0.93 -0.15 0.00 -1.55 0.00 0.00 70.33 70.09 1iy9 n THR 3158CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1iy9 s GLU 3159N -2.15 1.84 0.29 1.09 8.01 -1.26 -4.98 118.70 121.54 1iy9 s GLU 3159Ca 0.29 -1.63 -0.29 0.00 0.01 0.00 0.00 54.97 53.35 1iy9 s GLU 3159Cb 0.20 -3.06 -0.11 0.00 -4.31 0.00 0.00 34.13 26.85 1iy9 s GLU 3159CO 0.39 -0.77 1.46 -1.25 0.01 0.00 0.00 175.26 175.10 1iy9 s PRO 3160N 1.00 4.22 0.02 0.39 0.04 -1.26 -5.04 135.00 134.37 1iy9 s PRO 3160Ca 0.02 2.40 0.06 0.00 0.04 0.00 0.00 61.00 63.51 1iy9 s PRO 3160Cb -0.19 -3.06 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 1iy9 s PRO 3160CO -0.07 -0.45 -0.19 0.08 0.04 0.00 0.00 177.00 176.42 1iy9 s VAL 3161N -0.39 1.48 0.00 -0.36 1.01 -1.26 -4.91 120.40 115.98 1iy9 s VAL 3161Ca 0.57 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1iy9 s VAL 3161Cb -0.44 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 34.67 1iy9 s VAL 3161CO 0.49 0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.47 1iy9 n GLY 3162N 2.19 0.21 3.55 4.51 0.00 -1.26 -4.84 105.19 109.56 1iy9 n GLY 3162Ca -0.16 -1.67 -0.19 0.00 0.00 0.00 0.00 46.02 43.99 1iy9 n GLY 3162CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1iy9 n PRO 3163N 0.45 0.62 -1.56 1.61 -0.02 -1.26 -4.82 135.00 130.02 1iy9 n PRO 3163Ca 0.00 -0.59 -0.40 0.00 -2.02 0.00 0.00 63.50 60.49 1iy9 n PRO 3163Cb 0.00 -3.42 -0.02 0.00 -0.02 0.00 0.00 33.50 30.04 1iy9 n PRO 3163CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iy9 n ALA 3164N 17.09 6.90 0.89 3.55 0.00 -1.26 -4.52 120.51 143.15 1iy9 n ALA 3164Ca 0.47 -3.73 0.12 0.00 0.00 0.00 0.00 53.44 50.29 1iy9 n ALA 3164Cb 0.43 -3.31 0.54 0.00 0.00 0.00 0.00 19.45 17.11 1iy9 n ALA 3164CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1iy9 n VAL 3165N 3.65 0.30 -2.09 0.00 0.31 -1.26 -4.35 118.33 114.89 1iy9 n VAL 3165Ca 0.68 0.08 -0.38 0.00 -0.01 0.00 0.00 64.34 64.71 1iy9 n VAL 3165Cb 0.28 -0.65 -0.03 0.00 -0.91 0.00 0.00 33.84 32.52 1iy9 n VAL 3165CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1iy9 n ASN 3166N -1.47 3.84 -1.36 4.52 3.02 -1.26 -4.60 115.26 117.95 1iy9 n ASN 3166Ca 0.07 -2.80 0.11 0.00 -0.03 0.00 0.00 54.58 51.92 1iy9 n ASN 3166Cb 0.28 -1.65 0.32 0.00 -0.61 0.00 0.00 39.78 38.12 1iy9 n ASN 3166CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1iy9 n LEU 3167N 9.93 3.96 -4.66 3.41 -0.00 -1.26 -3.95 117.00 124.43 1iy9 n LEU 3167Ca 0.48 -1.99 -0.31 0.00 -0.00 0.00 0.00 56.01 54.20 1iy9 n LEU 3167Cb 0.44 -0.49 0.17 0.00 -0.00 0.00 0.00 43.42 43.54 1iy9 n LEU 3167CO 0.80 0.89 0.66 -0.36 -0.00 0.00 0.00 177.39 179.38 1iy9 s PHE 3168N -1.27 1.69 0.19 1.96 0.40 -1.26 -4.71 117.98 114.98 1iy9 s PHE 3168Ca 0.47 1.66 -0.33 0.00 -0.60 0.00 0.00 56.93 58.14 1iy9 s PHE 3168Cb 0.26 -3.27 -0.13 0.00 0.51 0.00 0.00 43.02 40.39 1iy9 s PHE 3168CO 0.30 -2.87 1.66 2.41 0.70 0.00 0.00 175.22 177.42 1iy9 n THR 3169N -4.27 0.04 -4.06 0.64 -1.04 -1.26 0.14 114.28 104.47 1iy9 n THR 3169Ca 0.10 -0.01 -0.30 0.00 -2.04 0.00 0.00 64.05 61.80 1iy9 n THR 3169Cb 0.53 -1.80 -0.02 0.00 -1.82 0.00 0.00 70.33 67.22 1iy9 n THR 3169CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1iy9 n LYS 3170N 3.67 -3.45 0.00 -2.82 0.00 -1.26 -4.56 118.16 109.74 1iy9 n LYS 3170Ca 0.16 0.41 0.00 0.00 0.00 0.00 0.00 58.31 58.88 1iy9 n LYS 3170Cb 0.32 -4.84 0.00 0.00 0.00 0.00 0.00 35.03 30.51 1iy9 n LYS 3170CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1iy9 n GLY 3171N -1.73 0.00 0.38 3.14 0.00 0.37 -2.86 105.19 104.49 1iy9 n GLY 3171Ca -0.13 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 1iy9 n GLY 3171CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1iy9 h PHE 3172N 0.00 -1.21 -0.71 1.61 3.57 -1.85 0.15 116.94 118.50 1iy9 h PHE 3172Ca 0.00 0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 1iy9 h PHE 3172Cb 0.00 0.64 -0.03 0.00 2.79 0.00 0.00 35.95 39.35 1iy9 h PHE 3172CO 0.00 -0.40 0.23 1.88 -2.23 0.00 0.00 178.31 177.79 1iy9 h TYR 3173N -0.12 1.11 -0.02 0.41 -1.99 -1.85 0.35 116.97 114.86 1iy9 h TYR 3173Ca 0.24 -0.10 -0.10 0.00 2.00 0.00 0.00 58.73 60.77 1iy9 h TYR 3173Cb 0.56 -0.33 -0.01 0.00 2.00 0.00 0.00 36.73 38.95 1iy9 h TYR 3173CO -0.78 0.88 -0.45 0.00 -0.00 0.00 0.00 178.16 177.81 1iy9 h ALA 3174N 1.20 1.21 -0.57 3.88 0.00 -1.50 0.39 119.26 123.86 1iy9 h ALA 3174Ca 0.23 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1iy9 h ALA 3174Cb 0.28 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1iy9 h ALA 3174CO -0.01 0.58 0.12 0.78 0.00 0.00 0.00 179.25 180.72 1iy9 h GLY 3175N 1.35 1.01 1.08 0.00 0.00 0.59 -0.89 103.07 106.21 1iy9 h GLY 3175Ca 0.00 -0.65 -0.13 0.00 0.00 0.00 0.00 47.33 46.55 1iy9 h GLY 3175CO 0.06 0.60 -0.26 -2.22 0.00 0.00 0.00 176.54 174.72 1iy9 h ILE 3176N 0.83 1.27 -0.84 2.60 2.04 -0.61 -2.28 117.51 120.53 1iy9 h ILE 3176Ca 0.18 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.61 1iy9 h ILE 3176Cb 0.38 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 1iy9 h ILE 3176CO 0.01 0.48 0.53 0.00 0.00 0.00 0.00 178.15 179.17 1iy9 h ALA 3177N 0.82 1.07 -0.99 1.87 0.00 -0.66 -0.80 119.26 120.57 1iy9 h ALA 3177Ca 0.09 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1iy9 h ALA 3177Cb 0.84 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1iy9 h ALA 3177CO 0.07 0.50 0.65 -0.22 0.00 0.00 0.00 179.25 180.26 1iy9 h LYS 3178N 1.14 1.28 0.00 0.00 3.64 -0.90 -1.91 116.57 119.82 1iy9 h LYS 3178Ca 0.30 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.54 1iy9 h LYS 3178Cb -0.09 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 31.43 1iy9 h LYS 3178CO -0.06 0.84 -0.34 0.00 -2.27 0.00 0.00 179.45 177.62 1iy9 h ALA 3179N 1.40 0.91 -2.23 5.00 0.00 -0.82 0.31 119.26 123.83 1iy9 h ALA 3179Ca 0.37 -0.31 -0.48 0.00 0.00 0.00 0.00 54.91 54.49 1iy9 h ALA 3179Cb -0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1iy9 h ALA 3179CO -0.09 0.43 0.24 -0.51 0.00 0.00 0.00 179.25 179.32 1iy9 s LEU 3180N -6.76 3.81 0.92 0.00 1.43 -0.36 -0.69 118.68 117.03 1iy9 s LEU 3180Ca 0.02 1.41 -0.12 0.00 -1.03 0.00 0.00 54.13 54.40 1iy9 s LEU 3180Cb 0.10 -4.29 0.14 0.00 0.03 0.00 0.00 46.19 42.17 1iy9 s LEU 3180CO 0.68 -0.43 1.13 -0.54 0.23 0.00 0.00 176.35 177.42 1iy9 s LYS 3181N -3.67 1.08 0.60 1.70 1.02 0.11 -3.83 119.74 116.75 1iy9 s LYS 3181Ca 0.56 0.36 0.28 0.00 0.02 0.00 0.00 55.97 57.19 1iy9 s LYS 3181Cb -0.10 -1.83 1.38 0.00 -0.52 0.00 0.00 37.83 36.76 1iy9 s LYS 3181CO 0.26 -2.25 1.79 1.05 -0.92 0.00 0.00 175.35 175.28 1iy9 h GLU 3182N -1.54 0.00 -0.09 1.68 4.11 -1.92 0.95 114.58 117.78 1iy9 h GLU 3182Ca -0.51 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 58.84 1iy9 h GLU 3182Cb 1.33 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.49 1iy9 h GLU 3182CO 0.61 0.00 -0.59 -0.40 0.07 0.00 0.00 179.01 178.70 1iy9 n ASP 3183N -3.50 2.00 -4.70 3.06 3.85 -1.26 -4.72 116.55 111.27 1iy9 n ASP 3183Ca 0.09 -3.70 -0.30 0.00 -0.71 0.00 0.00 54.79 50.17 1iy9 n ASP 3183Cb 0.77 -0.49 0.15 0.00 -1.35 0.00 0.00 41.12 40.20 1iy9 n ASP 3183CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 1iy9 s GLY 3184N -3.18 1.61 0.01 6.12 0.00 0.33 -4.60 107.32 107.61 1iy9 s GLY 3184Ca 0.39 -0.09 0.01 0.00 0.00 0.00 0.00 44.72 45.03 1iy9 s GLY 3184CO -0.07 0.43 -0.03 -0.42 0.00 0.00 0.00 173.10 173.01 1iy9 s ILE 3185N -2.91 0.24 0.03 0.90 1.01 0.01 -1.72 121.20 118.75 1iy9 s ILE 3185Ca 0.64 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.91 1iy9 s ILE 3185Cb -0.18 -0.26 -0.02 0.00 0.01 0.00 0.00 42.46 42.01 1iy9 s ILE 3185CO 0.57 -0.11 -0.05 0.72 0.00 0.00 0.00 174.94 176.07 1iy9 s PHE 3186N -0.50 0.46 0.02 3.97 -0.12 -0.10 -1.47 117.98 120.23 1iy9 s PHE 3186Ca -0.04 -0.48 0.04 0.00 -0.05 0.00 0.00 56.93 56.41 1iy9 s PHE 3186Cb -0.04 -0.29 -0.02 0.00 -0.63 0.00 0.00 43.02 42.04 1iy9 s PHE 3186CO -0.00 -0.12 -0.13 0.08 -0.05 0.00 0.00 175.22 175.00 1iy9 s VAL 3187N -1.31 1.00 -0.08 -2.49 1.01 -0.73 -0.87 120.40 116.94 1iy9 s VAL 3187Ca -0.12 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 1iy9 s VAL 3187Cb -0.09 -0.88 0.04 0.00 0.00 0.00 0.00 36.38 35.44 1iy9 s VAL 3187CO -0.00 0.08 0.18 0.00 0.00 0.00 0.00 175.10 175.36 1iy9 s ALA 3188N -0.65 -0.38 0.49 5.51 0.00 -0.27 -1.11 121.76 125.35 1iy9 s ALA 3188Ca 0.02 0.78 -0.23 0.00 0.00 0.00 0.00 51.96 52.53 1iy9 s ALA 3188Cb -0.07 -0.51 -0.07 0.00 0.00 0.00 0.00 23.12 22.48 1iy9 s ALA 3188CO 0.01 -0.17 1.27 1.14 0.00 0.00 0.00 175.76 178.01 1iy9 s GLN 3189N 1.11 3.54 -0.31 0.00 -2.07 -1.25 -0.85 119.66 119.82 1iy9 s GLN 3189Ca -0.08 2.04 0.19 0.00 -1.82 0.00 0.00 55.36 55.68 1iy9 s GLN 3189Cb -0.10 -2.41 0.47 0.00 -1.09 0.00 0.00 33.01 29.88 1iy9 s GLN 3189CO -0.06 -0.81 0.99 -2.37 -1.32 0.00 0.00 175.29 171.72 1iy9 n THR 3190N -0.60 1.11 -3.95 3.63 5.66 0.44 -4.77 114.28 115.80 1iy9 n THR 3190Ca 0.08 -3.10 0.00 0.00 -3.05 0.00 0.00 64.05 57.98 1iy9 n THR 3190Cb 0.46 0.72 0.00 0.00 -1.55 0.00 0.00 70.33 69.96 1iy9 n THR 3190CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1iy9 n ASP 3191N -0.20 -2.34 -4.67 1.09 8.00 -1.25 -4.47 116.55 112.71 1iy9 n ASP 3191Ca 0.10 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.34 1iy9 n ASP 3191Cb 0.81 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.84 1iy9 n ASP 3191CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1iy9 s ASN 3192N -4.00 4.77 0.00 -2.24 2.20 -1.26 -0.69 114.94 113.72 1iy9 s ASN 3192Ca 0.00 -0.43 0.29 0.00 -0.94 0.00 0.00 52.86 51.79 1iy9 s ASN 3192Cb 0.00 -1.00 1.34 0.00 -2.00 0.00 0.00 41.25 39.59 1iy9 s ASN 3192CO 0.00 0.07 1.92 -0.81 -2.94 0.00 0.00 177.10 175.34 1iy9 n PRO 3193N -0.28 0.88 -0.01 3.55 -0.04 -1.26 -3.38 135.00 134.45 1iy9 n PRO 3193Ca -0.09 -0.28 -0.17 0.00 -0.04 0.00 0.00 63.50 62.91 1iy9 n PRO 3193Cb 0.56 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.38 1iy9 n PRO 3193CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1iy9 n TRP 3194N -0.81 1.10 -0.02 0.54 7.02 -1.26 -4.27 117.44 119.74 1iy9 n TRP 3194Ca 0.17 0.27 0.01 0.00 -1.02 0.00 0.00 57.50 56.93 1iy9 n TRP 3194Cb 0.25 -1.16 -0.06 0.00 -2.42 0.00 0.00 31.31 27.93 1iy9 n TRP 3194CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1iy9 n PHE 3195N -3.33 0.00 -2.86 -5.99 0.99 -1.26 -4.76 117.46 100.25 1iy9 n PHE 3195Ca -0.28 0.00 -0.19 0.00 -0.00 0.00 0.00 57.45 56.98 1iy9 n PHE 3195Cb 1.05 -0.24 -0.01 0.00 -1.00 0.00 0.00 39.48 39.28 1iy9 n PHE 3195CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1iy9 n THR 3196N -1.97 1.26 0.23 4.37 -2.24 -1.22 -4.90 114.28 109.82 1iy9 n THR 3196Ca -0.06 -4.40 0.07 0.00 -2.27 0.00 0.00 64.05 57.40 1iy9 n THR 3196Cb 0.42 -0.39 0.55 0.00 -2.10 0.00 0.00 70.33 68.81 1iy9 n THR 3196CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1iy9 h PRO 3197N 2.92 0.00 -0.84 -0.78 0.13 -1.74 -2.89 132.00 128.80 1iy9 h PRO 3197Ca 0.08 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.33 1iy9 h PRO 3197Cb 0.93 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.98 1iy9 h PRO 3197CO 0.62 0.20 0.47 0.93 -0.23 0.00 0.00 178.00 179.99 1iy9 h GLU 3198N 0.00 0.71 -0.78 0.86 4.39 -1.91 -1.89 114.58 115.96 1iy9 h GLU 3198Ca -0.00 -0.04 0.07 0.00 0.34 0.00 0.00 59.36 59.73 1iy9 h GLU 3198Cb 0.39 -0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 28.82 1iy9 h GLU 3198CO 0.03 0.47 0.46 1.25 -1.16 0.00 0.00 179.01 180.05 1iy9 h LEU 3199N 0.73 0.68 -0.51 1.33 6.46 -1.88 -1.47 115.31 120.66 1iy9 h LEU 3199Ca 0.43 0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 58.19 1iy9 h LEU 3199Cb 0.48 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.29 1iy9 h LEU 3199CO -0.29 0.42 0.21 0.40 -0.62 0.00 0.00 178.44 178.56 1iy9 h ILE 3200N 0.81 1.21 0.31 4.05 2.04 -1.47 -0.92 117.51 123.53 1iy9 h ILE 3200Ca 0.36 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1iy9 h ILE 3200Cb 0.24 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1iy9 h ILE 3200CO -0.20 0.25 -0.15 0.74 0.00 0.00 0.00 178.15 178.79 1iy9 h THR 3201N 0.68 0.72 0.19 -0.27 2.02 -1.24 -1.91 112.91 113.09 1iy9 h THR 3201Ca 0.17 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1iy9 h THR 3201Cb 0.18 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1iy9 h THR 3201CO -0.02 0.04 -0.14 0.78 0.37 0.00 0.00 175.52 176.55 1iy9 h ASN 3202N -0.50 -0.36 -0.36 4.18 2.35 -1.24 -1.31 115.58 118.35 1iy9 h ASN 3202Ca -0.04 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1iy9 h ASN 3202Cb 0.37 0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 1iy9 h ASN 3202CO 0.07 -0.22 0.19 0.58 -1.65 0.00 0.00 177.43 176.40 1iy9 h VAL 3203N -0.34 1.15 -0.63 2.81 2.07 -1.23 0.11 116.25 120.19 1iy9 h VAL 3203Ca -0.01 -0.39 0.05 0.00 0.82 0.00 0.00 66.70 67.17 1iy9 h VAL 3203Cb 0.30 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 1iy9 h VAL 3203CO -0.01 0.15 0.35 -0.61 0.02 0.00 0.00 177.57 177.48 1iy9 h GLN 3204N 0.45 0.65 -0.25 1.57 5.75 -1.25 0.16 115.11 122.19 1iy9 h GLN 3204Ca 0.13 -0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.51 1iy9 h GLN 3204Cb 0.07 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 1iy9 h GLN 3204CO -0.02 0.43 -0.14 -0.09 -2.65 0.00 0.00 178.83 176.36 1iy9 h ARG 3205N 0.67 0.54 -0.30 1.69 2.43 -1.05 -2.51 114.38 115.85 1iy9 h ARG 3205Ca 0.27 -0.25 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 1iy9 h ARG 3205Cb 0.13 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1iy9 h ARG 3205CO -0.16 0.81 -0.25 -0.44 -1.51 0.00 0.00 179.97 178.43 1iy9 h ASP 3206N 0.26 0.59 0.13 -3.80 3.32 -0.56 -2.64 116.42 113.72 1iy9 h ASP 3206Ca 0.05 -0.20 -0.18 0.00 0.02 0.00 0.00 57.03 56.72 1iy9 h ASP 3206Cb 0.66 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 1iy9 h ASP 3206CO 0.04 0.82 -0.66 0.58 -1.72 0.00 0.00 179.24 178.31 1iy9 h VAL 3207N 0.51 1.35 -0.01 -1.35 2.07 -0.75 -3.03 116.25 115.03 1iy9 h VAL 3207Ca 0.07 -1.98 -0.04 0.00 0.82 0.00 0.00 66.70 65.57 1iy9 h VAL 3207Cb 0.70 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 1iy9 h VAL 3207CO 0.05 0.60 -0.20 0.50 0.02 0.00 0.00 177.57 178.55 1iy9 h LYS 3208N 0.36 0.02 0.00 1.57 1.63 -1.29 -0.39 116.57 118.47 1iy9 h LYS 3208Ca -0.02 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1iy9 h LYS 3208Cb 1.22 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.85 1iy9 h LYS 3208CO 0.12 0.22 -0.01 0.93 -3.45 0.00 0.00 179.45 177.27 1iy9 h GLU 3209N 0.02 0.00 0.00 1.90 5.08 -1.34 -3.23 114.58 117.01 1iy9 h GLU 3209Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1iy9 h GLU 3209Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1iy9 h GLU 3209CO 0.03 0.01 -0.86 0.44 -1.00 0.00 0.00 179.01 177.63 1iy9 n ILE 3210N -3.41 0.00 -4.56 3.13 -5.35 -0.59 -5.03 119.36 103.55 1iy9 n ILE 3210Ca -0.03 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.12 1iy9 n ILE 3210Cb 0.09 0.38 -0.12 0.00 -1.74 0.00 0.00 39.64 38.25 1iy9 n ILE 3210CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1iy9 s PHE 3211N -1.72 2.95 0.43 4.28 0.40 -0.26 -5.00 117.98 119.06 1iy9 s PHE 3211Ca 0.00 -0.29 0.12 0.00 -0.60 0.00 0.00 56.93 56.16 1iy9 s PHE 3211Cb 0.00 -1.86 0.94 0.00 0.51 0.00 0.00 43.02 42.61 1iy9 s PHE 3211CO 0.00 0.03 2.00 -1.00 0.70 0.00 0.00 175.22 176.94 1iy9 h PRO 3212N 6.29 0.18 -4.84 0.24 0.13 -1.82 -3.40 132.00 128.78 1iy9 h PRO 3212Ca -0.35 -0.03 -0.68 0.00 -0.87 0.00 0.00 66.00 64.08 1iy9 h PRO 3212Cb 1.19 -0.03 -0.31 0.00 0.13 0.00 0.00 31.00 31.98 1iy9 h PRO 3212CO 0.58 0.26 -0.70 0.42 -0.23 0.00 0.00 178.00 178.33 1iy9 s ILE 3213N -4.88 3.20 -0.23 -3.56 1.01 -0.98 -5.03 121.20 110.73 1iy9 s ILE 3213Ca -0.05 -1.03 -0.02 0.00 0.00 0.00 0.00 60.65 59.55 1iy9 s ILE 3213Cb 0.16 -2.69 0.07 0.00 0.01 0.00 0.00 42.46 40.01 1iy9 s ILE 3213CO 0.71 0.09 0.04 -0.89 0.00 0.00 0.00 174.94 174.89 1iy9 s THR 3214N 1.36 0.78 0.42 2.92 2.01 -1.26 -0.53 115.64 121.34 1iy9 s THR 3214Ca -0.01 -0.90 0.06 0.00 0.31 0.00 0.00 61.69 61.16 1iy9 s THR 3214Cb -0.18 -1.33 -0.06 0.00 0.01 0.00 0.00 72.50 70.94 1iy9 s THR 3214CO -0.02 -0.33 0.07 -0.54 -0.69 0.00 0.00 174.62 173.11 1iy9 s LYS 3215N 1.72 2.07 -0.06 4.92 -0.14 -0.82 -4.99 119.74 122.44 1iy9 s LYS 3215Ca 0.01 -2.06 0.00 0.00 -1.36 0.00 0.00 55.97 52.57 1iy9 s LYS 3215Cb -0.17 -1.74 0.02 0.00 -1.68 0.00 0.00 37.83 34.26 1iy9 s LYS 3215CO -0.13 -0.11 -0.03 -1.17 -0.76 0.00 0.00 175.35 173.14 1iy9 s LEU 3216N -3.80 1.07 0.36 3.17 2.96 -1.26 -1.87 118.68 119.31 1iy9 s LEU 3216Ca 0.34 -0.13 0.09 0.00 -0.22 0.00 0.00 54.13 54.20 1iy9 s LEU 3216Cb 0.07 -0.49 -0.07 0.00 0.50 0.00 0.00 46.19 46.20 1iy9 s LEU 3216CO 0.18 -0.11 -0.05 -0.72 -1.32 0.00 0.00 176.35 174.33 1iy9 s TYR 3217N 1.35 2.45 0.25 5.38 -0.85 0.60 -4.61 117.35 121.92 1iy9 s TYR 3217Ca -0.04 -0.52 0.10 0.00 -0.52 0.00 0.00 57.07 56.08 1iy9 s TYR 3217Cb -0.13 -1.49 -0.05 0.00 0.38 0.00 0.00 41.96 40.67 1iy9 s TYR 3217CO -0.02 0.53 -0.17 0.99 -1.52 0.00 0.00 175.55 175.36 1iy9 s THR 3218N -2.62 2.10 -0.10 -3.49 2.01 0.33 -0.43 115.64 113.44 1iy9 s THR 3218Ca 0.34 -2.30 -0.30 0.00 0.31 0.00 0.00 61.69 59.73 1iy9 s THR 3218Cb 0.04 -2.20 0.10 0.00 0.01 0.00 0.00 72.50 70.45 1iy9 s THR 3218CO 0.17 -0.48 0.85 0.00 -0.69 0.00 0.00 174.62 174.48 1iy9 s ALA 3219N -2.75 -1.85 -0.41 7.40 0.00 -0.94 -4.71 121.76 118.50 1iy9 s ALA 3219Ca 0.27 1.42 -0.19 0.00 0.00 0.00 0.00 51.96 53.46 1iy9 s ALA 3219Cb -0.02 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.79 1iy9 s ALA 3219CO 0.11 -0.36 0.56 1.21 0.00 0.00 0.00 175.76 177.27 1iy9 s ASN 3220N -1.25 6.29 -0.31 0.00 2.47 -1.26 -0.72 114.94 120.15 1iy9 s ASN 3220Ca -0.05 -0.32 0.03 0.00 0.42 0.00 0.00 52.86 52.94 1iy9 s ASN 3220Cb -0.00 -2.28 0.09 0.00 -1.45 0.00 0.00 41.25 37.61 1iy9 s ASN 3220CO 0.04 -0.64 0.03 -0.63 -3.72 0.00 0.00 177.10 172.18 1iy9 s ILE 3221N 2.53 1.96 0.65 -5.21 1.01 -1.02 -4.92 121.20 116.20 1iy9 s ILE 3221Ca 0.19 -1.98 0.37 0.00 0.00 0.00 0.00 60.65 59.22 1iy9 s ILE 3221Cb -0.15 -2.38 0.38 0.00 0.01 0.00 0.00 42.46 40.32 1iy9 s ILE 3221CO 0.16 -0.48 2.17 1.55 0.00 0.00 0.00 174.94 178.34 1iy9 h PRO 3222N 7.74 0.00 -0.02 2.79 0.13 -1.94 -1.57 132.00 139.13 1iy9 h PRO 3222Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1iy9 h PRO 3222Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1iy9 h PRO 3222CO 0.49 0.00 -0.04 2.41 -0.23 0.00 0.00 178.00 180.63 1iy9 n THR 3223N -3.16 0.00 -4.10 1.56 -1.04 -1.26 -4.78 114.28 101.51 1iy9 n THR 3223Ca -0.02 -0.41 -0.28 0.00 -2.04 0.00 0.00 64.05 61.30 1iy9 n THR 3223Cb 0.22 1.20 -0.07 0.00 -1.82 0.00 0.00 70.33 69.87 1iy9 n THR 3223CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1iy9 s TYR 3224N -2.05 3.09 -0.25 -1.42 1.51 -0.59 -4.85 117.35 112.80 1iy9 s TYR 3224Ca 0.30 -0.01 -0.42 0.00 -1.01 0.00 0.00 57.07 55.93 1iy9 s TYR 3224Cb 0.20 -1.53 -0.18 0.00 -0.11 0.00 0.00 41.96 40.34 1iy9 s TYR 3224CO 0.33 0.51 1.51 -2.30 -1.11 0.00 0.00 175.55 174.50 1iy9 n PRO 3225N 0.10 0.57 -0.01 -1.71 -0.02 -1.26 -1.61 135.00 131.05 1iy9 n PRO 3225Ca -0.09 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1iy9 n PRO 3225Cb 0.53 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1iy9 n PRO 3225CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1iy9 n SER 3226N 3.79 0.00 0.00 2.55 3.41 -1.26 -3.98 113.62 118.12 1iy9 n SER 3226Ca 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1iy9 n SER 3226Cb 0.07 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 1iy9 n SER 3226CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iy9 n GLY 3227N -2.00 1.77 2.93 5.00 0.00 -0.63 -4.98 105.19 107.28 1iy9 n GLY 3227Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1iy9 n GLY 3227CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iy9 s LEU 3228N 0.00 1.85 0.18 0.99 2.96 -1.26 -2.43 118.68 120.98 1iy9 s LEU 3228Ca 0.00 -0.73 0.05 0.00 -0.22 0.00 0.00 54.13 53.23 1iy9 s LEU 3228Cb 0.00 -1.04 -0.04 0.00 0.50 0.00 0.00 46.19 45.62 1iy9 s LEU 3228CO 0.00 -0.16 0.14 0.86 -1.32 0.00 0.00 176.35 175.86 1iy9 s TRP 3229N 1.54 3.13 0.08 5.38 -0.00 0.10 -4.36 118.94 124.81 1iy9 s TRP 3229Ca 0.00 -0.04 0.09 0.00 -0.00 0.00 0.00 56.10 56.15 1iy9 s TRP 3229Cb -0.15 -1.49 -0.03 0.00 -0.00 0.00 0.00 33.47 31.80 1iy9 s TRP 3229CO -0.08 0.52 -0.24 0.99 -0.00 0.00 0.00 176.95 178.14 1iy9 s THR 3230N -1.82 1.94 -0.03 5.86 2.01 0.14 -2.22 115.64 121.53 1iy9 s THR 3230Ca 0.31 -1.45 0.01 0.00 0.31 0.00 0.00 61.69 60.87 1iy9 s THR 3230Cb -0.10 -1.70 0.01 0.00 0.01 0.00 0.00 72.50 70.72 1iy9 s THR 3230CO 0.23 0.17 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.93 1iy9 s PHE 3231N -0.94 0.54 -0.20 4.92 0.40 0.42 -0.42 117.98 122.70 1iy9 s PHE 3231Ca 0.10 -0.11 -0.09 0.00 -0.60 0.00 0.00 56.93 56.23 1iy9 s PHE 3231Cb -0.10 -0.47 -0.04 0.00 0.51 0.00 0.00 43.02 42.92 1iy9 s PHE 3231CO 0.03 -0.10 0.10 0.99 0.70 0.00 0.00 175.22 176.94 1iy9 s THR 3232N 0.54 5.00 -0.18 0.64 2.01 -0.03 -0.29 115.64 123.33 1iy9 s THR 3232Ca -0.06 0.04 0.00 0.00 0.31 0.00 0.00 61.69 61.98 1iy9 s THR 3232Cb -0.10 -3.28 0.01 0.00 0.01 0.00 0.00 72.50 69.14 1iy9 s THR 3232CO -0.00 0.42 -0.16 -0.51 -0.69 0.00 0.00 174.62 173.68 1iy9 s ILE 3233N 0.62 2.49 -0.21 1.82 2.07 -0.78 -1.11 121.20 126.09 1iy9 s ILE 3233Ca 0.05 -0.81 -0.04 0.00 -1.41 0.00 0.00 60.65 58.44 1iy9 s ILE 3233Cb -0.13 -2.06 -0.02 0.00 0.13 0.00 0.00 42.46 40.39 1iy9 s ILE 3233CO 0.01 0.51 -0.02 -0.83 -1.91 0.00 0.00 174.94 172.70 1iy9 s GLY 3234N 1.14 1.66 0.01 1.50 0.00 -0.05 -1.94 107.32 109.65 1iy9 s GLY 3234Ca 0.01 -1.08 0.06 0.00 0.00 0.00 0.00 44.72 43.71 1iy9 s GLY 3234CO -0.06 0.33 -0.20 -0.45 0.00 0.00 0.00 173.10 172.73 1iy9 s SER 3235N 1.25 2.32 0.12 1.64 0.15 0.31 -0.93 113.70 118.56 1iy9 s SER 3235Ca 0.03 -0.43 0.17 0.00 0.70 0.00 0.00 55.95 56.42 1iy9 s SER 3235Cb -0.14 -0.22 -0.09 0.00 -1.71 0.00 0.00 66.02 63.86 1iy9 s SER 3235CO -0.00 0.19 0.97 0.11 1.20 0.00 0.00 173.24 175.71 1iy9 h LYS 3236N 5.26 0.00 0.00 5.44 1.57 -1.62 -2.59 116.57 124.63 1iy9 h LYS 3236Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1iy9 h LYS 3236Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1iy9 h LYS 3236CO 0.46 0.33 0.00 1.17 -0.57 0.00 0.00 179.45 180.83 1iy9 n LYS 3237N -2.95 0.00 -3.15 3.15 4.81 -1.26 -4.69 118.16 114.07 1iy9 n LYS 3237Ca -0.07 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 56.98 1iy9 n LYS 3237Cb 0.80 -0.20 -0.05 0.00 0.02 0.00 0.00 35.03 35.60 1iy9 n LYS 3237CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1iy9 s TYR 3238N -1.45 3.65 -0.16 5.64 1.51 -1.26 -5.04 117.35 120.24 1iy9 s TYR 3238Ca 0.00 1.22 -0.21 0.00 -1.01 0.00 0.00 57.07 57.06 1iy9 s TYR 3238Cb 0.00 -2.68 -0.03 0.00 -0.11 0.00 0.00 41.96 39.14 1iy9 s TYR 3238CO 0.00 0.26 0.65 0.34 -1.11 0.00 0.00 175.55 175.68 1iy9 s ASP 3239N 0.16 6.77 0.49 2.29 -1.08 -1.26 -4.81 116.67 119.22 1iy9 s ASP 3239Ca 0.33 0.93 0.33 0.00 -0.52 0.00 0.00 52.55 53.62 1iy9 s ASP 3239Cb -0.18 -2.36 1.63 0.00 -1.46 0.00 0.00 42.92 40.54 1iy9 s ASP 3239CO 0.17 -0.23 2.00 1.55 0.52 0.00 0.00 175.17 179.19 1iy9 h PRO 3240N 7.25 0.00 -0.37 4.34 0.13 -1.95 -1.74 132.00 139.66 1iy9 h PRO 3240Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1iy9 h PRO 3240Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1iy9 h PRO 3240CO 0.77 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.82 1iy9 n LEU 3241N -2.75 3.08 -0.54 1.56 4.77 -1.26 -3.94 117.00 117.92 1iy9 n LEU 3241Ca -0.01 -1.35 0.07 0.00 -0.03 0.00 0.00 56.01 54.69 1iy9 n LEU 3241Cb 0.15 -0.24 0.17 0.00 -2.33 0.00 0.00 43.42 41.17 1iy9 n LEU 3241CO 0.20 0.67 0.63 0.00 -1.33 0.00 0.00 177.39 177.56 1iy9 n ALA 3242N 1.24 2.47 -1.84 -1.18 0.00 -0.65 -5.02 120.51 115.52 1iy9 n ALA 3242Ca 0.19 -1.82 -0.42 0.00 0.00 0.00 0.00 53.44 51.39 1iy9 n ALA 3242Cb 0.54 -0.46 -0.02 0.00 0.00 0.00 0.00 19.45 19.50 1iy9 n ALA 3242CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1iy9 s VAL 3243N -2.02 2.41 0.34 0.00 1.01 -1.25 -4.95 120.40 115.94 1iy9 s VAL 3243Ca 0.28 0.32 -0.27 0.00 0.00 0.00 0.00 61.98 62.31 1iy9 s VAL 3243Cb 0.21 -3.20 -0.09 0.00 0.00 0.00 0.00 36.38 33.30 1iy9 s VAL 3243CO 0.08 0.04 1.15 -1.61 0.00 0.00 0.00 175.10 174.77 1iy9 s GLU 3244N 0.24 4.36 0.28 2.72 0.41 -1.26 -4.94 118.70 120.50 1iy9 s GLU 3244Ca 0.65 1.86 -0.04 0.00 -0.41 0.00 0.00 54.97 57.04 1iy9 s GLU 3244Cb -0.45 -2.95 0.36 0.00 -1.78 0.00 0.00 34.13 29.31 1iy9 s GLU 3244CO 0.40 -0.06 1.95 0.22 -0.49 0.00 0.00 175.26 177.28 1iy9 h ASP 3245N 3.24 1.05 0.54 -0.19 1.82 -1.98 -1.65 116.42 119.24 1iy9 h ASP 3245Ca -0.48 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.14 1iy9 h ASP 3245Cb 1.22 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 40.97 1iy9 h ASP 3245CO 0.65 0.75 0.00 0.77 -1.61 0.00 0.00 179.24 179.80 1iy9 h SER 3246N 1.23 0.00 0.06 2.28 4.64 -2.03 -2.84 113.55 116.89 1iy9 h SER 3246Ca 0.34 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.57 1iy9 h SER 3246Cb -0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 1iy9 h SER 3246CO -0.08 0.00 -0.29 -0.09 -0.87 0.00 0.00 176.83 175.51 1iy9 h ARG 3247N 0.00 0.35 -7.19 4.77 1.12 -1.68 -3.44 114.38 108.31 1iy9 h ARG 3247Ca 0.00 -0.13 -0.49 0.00 -1.11 0.00 0.00 59.98 58.25 1iy9 h ARG 3247Cb 0.27 -0.02 0.06 0.00 -0.01 0.00 0.00 29.97 30.27 1iy9 h ARG 3247CO 0.00 0.61 0.38 -0.06 -3.11 0.00 0.00 179.97 177.79 1iy9 s PHE 3248N -4.41 3.02 0.06 2.20 0.40 -1.08 -5.07 117.98 113.11 1iy9 s PHE 3248Ca -0.06 1.51 -0.05 0.00 -0.60 0.00 0.00 56.93 57.74 1iy9 s PHE 3248Cb 0.14 -3.00 -0.02 0.00 0.51 0.00 0.00 43.02 40.65 1iy9 s PHE 3248CO 0.77 -1.05 0.07 -0.59 0.70 0.00 0.00 175.22 175.12 1iy9 s PHE 3249N -2.43 0.33 0.20 0.36 -0.12 -1.26 -5.08 117.98 109.98 1iy9 s PHE 3249Ca 0.64 -0.80 -0.32 0.00 -0.05 0.00 0.00 56.93 56.40 1iy9 s PHE 3249Cb -0.16 -0.23 -0.13 0.00 -0.63 0.00 0.00 43.02 41.88 1iy9 s PHE 3249CO 0.35 -0.44 1.64 -0.25 -0.05 0.00 0.00 175.22 176.47 1iy9 n ASP 3250N 0.16 3.58 -3.81 1.98 8.00 -1.26 -4.98 116.55 120.22 1iy9 n ASP 3250Ca -0.15 1.08 -0.12 0.00 0.71 0.00 0.00 54.79 56.31 1iy9 n ASP 3250Cb 0.61 -1.51 -0.12 0.00 -0.02 0.00 0.00 41.12 40.08 1iy9 n ASP 3250CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1iy9 s ILE 3251N 0.86 0.01 -0.30 0.53 2.07 -1.26 -5.12 121.20 117.98 1iy9 s ILE 3251Ca 0.75 -0.04 -0.25 0.00 -1.41 0.00 0.00 60.65 59.69 1iy9 s ILE 3251Cb -0.58 -0.30 0.01 0.00 0.13 0.00 0.00 42.46 41.72 1iy9 s ILE 3251CO 0.37 -0.02 0.88 -0.70 -1.91 0.00 0.00 174.94 173.55 1iy9 s GLU 3252N 0.01 4.02 0.16 3.50 2.12 -1.26 -5.02 118.70 122.22 1iy9 s GLU 3252Ca -0.01 0.77 -0.04 0.00 0.36 0.00 0.00 54.97 56.05 1iy9 s GLU 3252Cb -0.02 -3.72 -0.03 0.00 0.26 0.00 0.00 34.13 30.62 1iy9 s GLU 3252CO 0.00 -0.72 0.16 0.95 -0.54 0.00 0.00 175.26 175.11 1iy9 s THR 3253N 3.14 0.07 -0.10 -1.70 -4.23 -1.26 -5.06 115.64 106.50 1iy9 s THR 3253Ca 0.36 -1.74 0.01 0.00 -1.18 0.00 0.00 61.69 59.15 1iy9 s THR 3253Cb -0.14 -2.06 -0.01 0.00 1.34 0.00 0.00 72.50 71.64 1iy9 s THR 3253CO 0.13 -0.32 0.22 0.29 -0.54 0.00 0.00 174.62 174.39 1iy9 n LYS 3254N -0.17 4.15 0.05 3.99 5.02 -1.26 -4.90 118.16 125.03 1iy9 n LYS 3254Ca -0.05 -0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.05 1iy9 n LYS 3254Cb 0.64 -0.71 0.00 0.00 -0.02 0.00 0.00 35.03 34.93 1iy9 n LYS 3254CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1iy9 n TYR 3255N -0.66 -0.65 -1.60 2.13 9.36 -1.26 -5.05 117.16 119.42 1iy9 n TYR 3255Ca 0.00 0.12 -0.41 0.00 3.32 0.00 0.00 57.90 60.92 1iy9 n TYR 3255Cb 0.02 0.29 0.01 0.00 -0.63 0.00 0.00 39.34 39.03 1iy9 n TYR 3255CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 1iy9 n TYR 3256N -2.96 1.08 -3.68 2.98 9.36 -1.26 -4.95 117.16 117.73 1iy9 n TYR 3256Ca 0.00 0.57 -0.12 0.00 3.32 0.00 0.00 57.90 61.66 1iy9 n TYR 3256Cb 0.00 -2.22 -0.06 0.00 -0.63 0.00 0.00 39.34 36.43 1iy9 n TYR 3256CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1iy9 s THR 3257N -1.28 0.06 0.45 2.97 2.01 -1.26 -4.82 115.64 113.78 1iy9 s THR 3257Ca 0.63 -0.50 0.11 0.00 0.31 0.00 0.00 61.69 62.24 1iy9 s THR 3257Cb -0.56 -0.96 0.26 0.00 0.01 0.00 0.00 72.50 71.25 1iy9 s THR 3257CO 0.57 -0.28 2.09 0.07 -0.69 0.00 0.00 174.62 176.39 1iy9 h LYS 3258N 3.02 0.31 -0.02 4.92 2.10 -1.99 0.24 116.57 125.15 1iy9 h LYS 3258Ca -0.31 -0.02 -0.20 0.00 -2.00 0.00 0.00 60.65 58.11 1iy9 h LYS 3258Cb 1.21 -0.07 0.02 0.00 -0.90 0.00 0.00 32.23 32.48 1iy9 h LYS 3258CO 0.44 0.21 -0.78 -0.44 -2.00 0.00 0.00 179.45 176.88 1iy9 h ASP 3259N 0.32 0.71 -0.62 7.07 3.45 -2.00 -3.02 116.42 122.33 1iy9 h ASP 3259Ca 0.09 -0.74 0.04 0.00 0.43 0.00 0.00 57.03 56.85 1iy9 h ASP 3259Cb -0.03 -0.22 -0.04 0.00 -0.56 0.00 0.00 39.33 38.49 1iy9 h ASP 3259CO -0.02 1.35 0.41 0.40 -1.57 0.00 0.00 179.24 179.82 1iy9 h ILE 3260N 0.14 1.06 -0.66 0.35 1.08 -1.75 0.07 117.51 117.81 1iy9 h ILE 3260Ca -0.09 -0.24 0.14 0.00 -0.39 0.00 0.00 64.86 64.27 1iy9 h ILE 3260Cb 1.46 0.29 -0.11 0.00 -3.07 0.00 0.00 36.82 35.39 1iy9 h ILE 3260CO 0.15 0.13 0.00 -0.74 -0.69 0.00 0.00 178.15 177.00 1iy9 h HIS 3261N 0.71 -0.05 0.20 1.37 2.76 -0.43 0.19 115.15 119.91 1iy9 h HIS 3261Ca 0.25 0.05 -0.33 0.00 -2.20 0.00 0.00 60.37 58.14 1iy9 h HIS 3261Cb 0.12 0.12 0.02 0.00 1.55 0.00 0.00 27.41 29.23 1iy9 h HIS 3261CO -0.00 -0.19 -1.60 0.87 -1.30 0.00 0.00 177.93 175.72 1iy9 h LYS 3262N 0.11 0.43 0.00 5.26 1.57 -1.37 -3.36 116.57 119.21 1iy9 h LYS 3262Ca 0.35 -0.73 -0.02 0.00 -1.87 0.00 0.00 60.65 58.37 1iy9 h LYS 3262Cb 0.58 0.27 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 1iy9 h LYS 3262CO -0.57 1.35 -0.10 0.00 -0.57 0.00 0.00 179.45 179.57 1iy9 h ALA 3263N 0.11 1.65 0.00 3.86 0.00 -0.59 -1.93 119.26 122.36 1iy9 h ALA 3263Ca -0.31 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1iy9 h ALA 3263Cb 2.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.85 1iy9 h ALA 3263CO 0.20 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.57 1iy9 h ALA 3264N 1.90 1.00 -0.01 0.00 0.00 -0.79 -1.77 119.26 119.59 1iy9 h ALA 3264Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1iy9 h ALA 3264Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1iy9 h ALA 3264CO 0.01 0.00 -0.24 1.19 0.00 0.00 0.00 179.25 180.21 1iy9 n PHE 3265N -2.66 0.00 -2.83 0.00 3.01 -0.72 -0.51 117.46 113.74 1iy9 n PHE 3265Ca -0.00 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.03 1iy9 n PHE 3265Cb 0.16 -0.11 -0.04 0.00 -0.01 0.00 0.00 39.48 39.48 1iy9 n PHE 3265CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1iy9 s VAL 3266N -2.47 4.33 0.16 -4.37 1.01 -0.67 -4.93 120.40 113.46 1iy9 s VAL 3266Ca 0.25 0.00 -0.15 0.00 0.00 0.00 0.00 61.98 62.08 1iy9 s VAL 3266Cb 0.19 -4.62 -0.07 0.00 0.00 0.00 0.00 36.38 31.88 1iy9 s VAL 3266CO 0.51 -1.30 0.57 -0.76 0.00 0.00 0.00 175.10 174.12 1iy9 s LEU 3267N 4.09 4.34 0.49 3.92 1.02 -1.26 -4.99 118.68 126.30 1iy9 s LEU 3267Ca 0.27 1.13 -0.23 0.00 0.02 0.00 0.00 54.13 55.32 1iy9 s LEU 3267Cb -0.14 -3.30 -0.06 0.00 0.02 0.00 0.00 46.19 42.70 1iy9 s LEU 3267CO 0.15 0.10 1.30 -2.84 0.02 0.00 0.00 176.35 175.07 1iy9 s PRO 3268N -1.94 3.47 0.28 1.29 0.02 -1.26 -4.70 135.00 132.16 1iy9 s PRO 3268Ca 0.38 2.10 -0.08 0.00 0.02 0.00 0.00 61.00 63.42 1iy9 s PRO 3268Cb -0.15 -2.39 0.46 0.00 0.02 0.00 0.00 34.50 32.43 1iy9 s PRO 3268CO 0.19 -0.88 1.57 -0.22 -0.33 0.00 0.00 177.00 177.33 1iy9 h LYS 3269N 1.86 0.00 0.00 5.54 1.63 -2.00 0.18 116.57 123.78 1iy9 h LYS 3269Ca -0.50 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.29 1iy9 h LYS 3269Cb 1.27 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.90 1iy9 h LYS 3269CO 0.59 0.00 -0.05 0.27 -3.45 0.00 0.00 179.45 176.81 1iy9 h PHE 3270N 0.00 0.00 0.24 1.91 -5.15 -2.00 -2.46 116.94 109.49 1iy9 h PHE 3270Ca 0.47 0.00 -0.33 0.00 -0.20 0.00 0.00 57.97 57.91 1iy9 h PHE 3270Cb 0.74 0.00 0.04 0.00 0.22 0.00 0.00 35.95 36.94 1iy9 h PHE 3270CO -0.74 0.05 -1.48 0.28 -2.00 0.00 0.00 178.31 174.43 1iy9 h VAL 3271N 0.00 1.28 -0.88 0.88 2.07 -0.99 -3.28 116.25 115.33 1iy9 h VAL 3271Ca -0.00 -2.72 0.01 0.00 0.82 0.00 0.00 66.70 64.80 1iy9 h VAL 3271Cb 0.37 3.03 -0.04 0.00 -1.52 0.00 0.00 31.29 33.13 1iy9 h VAL 3271CO 0.01 0.82 0.59 0.28 0.02 0.00 0.00 177.57 179.28 1iy9 h SER 3272N 0.14 1.01 -0.41 0.57 0.02 -1.11 -1.44 113.55 112.34 1iy9 h SER 3272Ca -0.25 -0.03 0.12 0.00 -0.84 0.00 0.00 61.79 60.79 1iy9 h SER 3272Cb 2.16 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 64.43 1iy9 h SER 3272CO 0.27 0.73 0.44 0.44 -1.14 0.00 0.00 176.83 177.57 1iy9 h ASP 3273N 1.19 0.00 0.69 3.07 5.19 -1.51 -0.80 116.42 124.25 1iy9 h ASP 3273Ca 0.33 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.60 1iy9 h ASP 3273Cb -0.13 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.36 1iy9 h ASP 3273CO -0.07 0.00 -0.64 -0.07 -3.12 0.00 0.00 179.24 175.33 1iy9 h LEU 3274N 0.00 0.00 -1.70 1.55 3.38 -1.34 -3.52 115.31 113.68 1iy9 h LEU 3274Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1iy9 h LEU 3274Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1iy9 h LEU 3274CO -0.00 0.64 0.00 0.00 0.09 0.00 0.00 178.44 179.17