#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y1s n ASP 3005N 0.00 0.00 -4.57 4.04 10.43 -1.07 -4.73 116.55 120.65 1y1s n ASP 3005Ca 0.00 0.04 -0.46 0.00 2.57 0.00 0.00 54.79 56.94 1y1s n ASP 3005Cb 0.00 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 42.93 1y1s n ASP 3005CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 177.20 177.46 1y1s n VAL 3006N -0.05 1.58 -0.24 2.53 0.24 -1.11 -4.89 118.33 116.38 1y1s n VAL 3006Ca 0.00 -0.39 -0.05 0.00 -2.04 0.00 0.00 64.34 61.86 1y1s n VAL 3006Cb 0.00 -0.85 0.06 0.00 -1.47 0.00 0.00 33.84 31.58 1y1s n VAL 3006CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 1y1s h PHE 3007N 2.43 0.82 0.01 6.34 3.57 -1.93 -2.81 116.94 125.37 1y1s h PHE 3007Ca -0.40 0.02 -0.40 0.00 3.53 0.00 0.00 57.97 60.72 1y1s h PHE 3007Cb 1.35 -0.27 -0.06 0.00 2.79 0.00 0.00 35.95 39.76 1y1s h PHE 3007CO 0.49 0.49 -2.31 0.72 -2.23 0.00 0.00 178.31 175.48 1y1s n HIS 3008N -4.65 0.25 0.15 0.41 8.25 -1.26 -4.52 115.22 113.85 1y1s n HIS 3008Ca 0.06 0.08 0.02 0.00 -0.26 0.00 0.00 57.72 57.63 1y1s n HIS 3008Cb 0.05 -1.03 0.38 0.00 1.12 0.00 0.00 29.99 30.51 1y1s n HIS 3008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1y1s h LEU 3009N -0.61 0.15 -1.50 2.41 4.07 -1.92 -3.43 115.31 114.47 1y1s h LEU 3009Ca -0.60 -0.04 -0.27 0.00 0.08 0.00 0.00 57.88 57.05 1y1s h LEU 3009Cb 1.70 -0.04 0.13 0.00 1.08 0.00 0.00 40.66 43.52 1y1s h LEU 3009CO -0.25 0.38 -0.58 0.61 -1.08 0.00 0.00 178.44 177.51 1y1s n GLY 3010N -0.75 -0.19 3.32 0.83 0.00 -1.06 -4.63 105.19 102.71 1y1s n GLY 3010Ca -0.01 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 1y1s n GLY 3010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y1s s LEU 3011N -5.54 2.50 0.39 0.99 1.43 -1.26 -3.65 118.68 113.54 1y1s s LEU 3011Ca 0.12 -0.95 0.08 0.00 -1.03 0.00 0.00 54.13 52.35 1y1s s LEU 3011Cb -0.05 -0.67 -0.07 0.00 0.03 0.00 0.00 46.19 45.42 1y1s s LEU 3011CO 0.57 -0.14 -0.01 0.42 0.23 0.00 0.00 176.35 177.41 1y1s s THR 3012N -2.64 2.10 0.13 5.49 -4.23 -1.26 -2.61 115.64 112.61 1y1s s THR 3012Ca 0.18 -2.04 -0.20 0.00 -1.18 0.00 0.00 61.69 58.46 1y1s s THR 3012Cb -0.02 -2.90 -0.02 0.00 1.34 0.00 0.00 72.50 70.90 1y1s s THR 3012CO 0.06 -0.06 1.70 0.11 -0.54 0.00 0.00 174.62 175.89 1y1s h LYS 3013N 1.82 0.01 -0.90 3.99 1.79 -1.96 -2.43 116.57 118.89 1y1s h LYS 3013Ca -0.43 -0.00 0.15 0.00 -2.18 0.00 0.00 60.65 58.19 1y1s h LYS 3013Cb 1.24 -0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.82 1y1s h LYS 3013CO 0.77 0.01 0.58 -0.97 -1.08 0.00 0.00 179.45 178.76 1y1s h ASN 3014N 0.01 0.65 -0.69 0.86 -0.73 -1.96 -2.25 115.58 111.47 1y1s h ASN 3014Ca 0.11 0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.32 1y1s h ASN 3014Cb 0.16 -0.08 -0.03 0.00 0.27 0.00 0.00 38.32 38.63 1y1s h ASN 3014CO -0.22 0.32 0.44 0.44 -0.37 0.00 0.00 177.43 178.04 1y1s h ASP 3015N 0.68 0.81 0.34 1.15 3.45 -1.84 -1.64 116.42 119.38 1y1s h ASP 3015Ca 0.46 -0.03 -0.09 0.00 0.43 0.00 0.00 57.03 57.80 1y1s h ASP 3015Cb 0.76 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.32 1y1s h ASP 3015CO -0.22 0.60 -0.38 -0.07 -1.57 0.00 0.00 179.24 177.60 1y1s h LEU 3016N 0.95 0.06 -0.08 1.55 4.07 -1.44 -3.47 115.31 116.94 1y1s h LEU 3016Ca 0.25 -0.02 -0.22 0.00 0.08 0.00 0.00 57.88 57.97 1y1s h LEU 3016Cb -0.08 -0.02 0.05 0.00 1.08 0.00 0.00 40.66 41.69 1y1s h LEU 3016CO -0.05 0.44 -0.35 1.67 -1.08 0.00 0.00 178.44 179.07 1y1s n GLN 3017N -4.07 -3.25 -0.70 1.13 -0.06 -0.62 -2.71 117.38 107.11 1y1s n GLN 3017Ca -0.02 0.49 0.00 0.00 -2.00 0.00 0.00 57.00 55.47 1y1s n GLN 3017Cb 0.43 -4.46 0.00 0.00 -4.06 0.00 0.00 30.24 22.14 1y1s n GLN 3017CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1y1s n GLY 3018N -1.23 0.80 3.66 1.69 0.00 -1.26 -4.75 105.19 104.10 1y1s n GLY 3018Ca -0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 1y1s n GLY 3018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y1s n ALA 3019N 0.10 0.91 -0.00 4.61 0.00 -1.10 -4.91 120.51 120.11 1y1s n ALA 3019Ca 0.00 0.40 0.03 0.00 0.00 0.00 0.00 53.44 53.86 1y1s n ALA 3019Cb 0.00 -2.22 -0.05 0.00 0.00 0.00 0.00 19.45 17.18 1y1s n ALA 3019CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1y1s n GLN 3020N 1.40 0.37 -4.89 0.00 1.13 -1.26 -4.20 117.38 109.93 1y1s n GLN 3020Ca 0.09 -0.05 -0.26 0.00 -1.94 0.00 0.00 57.00 54.84 1y1s n GLN 3020Cb 0.33 -1.15 -0.15 0.00 0.11 0.00 0.00 30.24 29.37 1y1s n GLN 3020CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1y1s s LEU 3021N -3.50 2.03 0.05 1.08 0.20 -1.26 0.46 118.68 117.74 1y1s s LEU 3021Ca -0.02 -0.34 0.04 0.00 0.69 0.00 0.00 54.13 54.50 1y1s s LEU 3021Cb 0.04 -0.96 -0.02 0.00 -0.43 0.00 0.00 46.19 44.82 1y1s s LEU 3021CO 0.26 0.22 -0.12 0.00 -0.29 0.00 0.00 176.35 176.42 1y1s s ALA 3022N -0.41 1.02 -0.24 5.97 0.00 0.03 -2.34 121.76 125.80 1y1s s ALA 3022Ca 0.06 -0.84 -0.09 0.00 0.00 0.00 0.00 51.96 51.09 1y1s s ALA 3022Cb -0.07 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 1y1s s ALA 3022CO -0.01 0.15 0.12 0.42 0.00 0.00 0.00 175.76 176.45 1y1s s ILE 3023N -1.06 4.98 -0.65 0.00 1.01 0.99 -1.53 121.20 124.95 1y1s s ILE 3023Ca -0.02 0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.69 1y1s s ILE 3023Cb -0.09 -3.32 0.16 0.00 0.01 0.00 0.00 42.46 39.23 1y1s s ILE 3023CO 0.01 0.35 0.45 0.68 0.00 0.00 0.00 174.94 176.43 1y1s s VAL 3024N 1.14 3.33 0.88 2.92 -7.23 -0.08 -1.54 120.40 119.82 1y1s s VAL 3024Ca 0.06 -3.44 -0.13 0.00 -1.81 0.00 0.00 61.98 56.66 1y1s s VAL 3024Cb -0.14 -3.19 0.12 0.00 0.56 0.00 0.00 36.38 33.74 1y1s s VAL 3024CO 0.05 -0.91 1.17 -2.16 -0.31 0.00 0.00 175.10 172.94 1y1s s PRO 3025N -0.57 1.36 -0.07 4.82 0.04 -1.25 -3.73 135.00 135.60 1y1s s PRO 3025Ca 0.20 0.15 -0.08 0.00 0.04 0.00 0.00 61.00 61.31 1y1s s PRO 3025Cb -0.17 -1.88 -0.29 0.00 0.04 0.00 0.00 34.50 32.20 1y1s s PRO 3025CO -0.06 -2.02 0.56 0.78 0.04 0.00 0.00 177.00 176.30 1y1s h GLY 3026N -1.36 0.37 -5.06 0.56 0.00 -1.85 -1.95 103.07 93.77 1y1s h GLY 3026Ca -0.48 -0.95 -0.56 0.00 0.00 0.00 0.00 47.33 45.33 1y1s h GLY 3026CO 0.61 0.84 0.21 -0.35 0.00 0.00 0.00 176.54 177.84 1y1s s ASP 3027N -7.15 7.02 0.61 0.19 -1.08 -1.26 -1.98 116.67 113.02 1y1s s ASP 3027Ca -0.18 1.24 0.34 0.00 -0.52 0.00 0.00 52.55 53.43 1y1s s ASP 3027Cb 0.06 -2.44 1.96 0.00 -1.46 0.00 0.00 42.92 41.03 1y1s s ASP 3027CO 0.82 -0.22 2.27 -0.65 0.52 0.00 0.00 175.17 177.92 1y1s h PRO 3028N 6.94 0.00 0.00 4.34 0.11 -1.90 -1.70 132.00 139.80 1y1s h PRO 3028Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1y1s h PRO 3028Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1y1s h PRO 3028CO 0.78 0.01 0.00 0.93 -0.21 0.00 0.00 178.00 179.50 1y1s h GLU 3029N 0.00 0.00 0.00 1.05 5.08 -1.97 -3.21 114.58 115.54 1y1s h GLU 3029Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1y1s h GLU 3029Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1y1s h GLU 3029CO 0.00 0.00 -0.40 -0.09 -1.00 0.00 0.00 179.01 177.52 1y1s h ARG 3030N 0.00 0.00 -0.04 2.33 2.43 -1.72 -3.37 114.38 114.02 1y1s h ARG 3030Ca 0.00 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1y1s h ARG 3030Cb 0.85 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.35 1y1s h ARG 3030CO 0.00 0.14 -0.43 0.28 -1.51 0.00 0.00 179.97 178.45 1y1s h VAL 3031N 0.00 0.14 -0.15 0.20 2.07 -1.61 -2.13 116.25 114.76 1y1s h VAL 3031Ca -0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.55 1y1s h VAL 3031Cb 1.13 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 1y1s h VAL 3031CO 0.02 0.00 -0.14 -0.08 0.02 0.00 0.00 177.57 177.39 1y1s h GLU 3032N -0.56 -0.16 -0.90 1.57 4.57 -1.78 -1.78 114.58 115.54 1y1s h GLU 3032Ca 0.05 0.01 0.18 0.00 -1.18 0.00 0.00 59.36 58.42 1y1s h GLU 3032Cb 0.65 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 29.21 1y1s h GLU 3032CO -0.35 -0.11 0.59 0.87 -1.18 0.00 0.00 179.01 178.83 1y1s h LYS 3033N -0.17 0.53 0.04 1.92 1.57 -1.64 0.20 116.57 119.02 1y1s h LYS 3033Ca 0.10 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.72 1y1s h LYS 3033Cb 0.31 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.52 1y1s h LYS 3033CO -0.25 0.35 -0.53 0.82 -0.57 0.00 0.00 179.45 179.28 1y1s h ILE 3034N 0.55 1.51 -0.27 1.86 2.04 -0.99 -3.23 117.51 118.98 1y1s h ILE 3034Ca 0.47 -2.19 -0.03 0.00 1.00 0.00 0.00 64.86 64.11 1y1s h ILE 3034Cb 0.97 2.86 -0.01 0.00 -0.74 0.00 0.00 36.82 39.89 1y1s h ILE 3034CO -0.21 0.62 0.03 0.00 0.00 0.00 0.00 178.15 178.59 1y1s h ALA 3035N 0.22 1.56 0.00 1.87 0.00 -0.68 -1.09 119.26 121.14 1y1s h ALA 3035Ca -0.08 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1y1s h ALA 3035Cb 1.30 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1y1s h ALA 3035CO 0.10 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.68 1y1s n ALA 3036N -2.49 1.79 1.16 0.00 0.00 0.63 -1.76 120.51 119.85 1y1s n ALA 3036Ca 0.01 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.51 1y1s n ALA 3036Cb 0.19 -1.27 0.29 0.00 0.00 0.00 0.00 19.45 18.66 1y1s n ALA 3036CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1y1s n LEU 3037N -1.44 1.01 0.00 0.00 0.00 -0.41 -4.90 117.00 111.25 1y1s n LEU 3037Ca 0.05 -0.26 -0.26 0.00 0.00 0.00 0.00 56.01 55.53 1y1s n LEU 3037Cb 0.17 -0.13 -0.04 0.00 0.00 0.00 0.00 43.42 43.42 1y1s n LEU 3037CO 0.14 0.20 -0.11 0.23 0.00 0.00 0.00 177.39 177.85 1y1s n MET 3038N -0.81 0.88 -3.14 1.96 2.81 -0.72 -5.13 117.12 112.96 1y1s n MET 3038Ca 0.10 -3.13 -0.35 0.00 -1.81 0.00 0.00 57.70 52.51 1y1s n MET 3038Cb 0.36 0.66 -0.06 0.00 -0.71 0.00 0.00 33.22 33.46 1y1s n MET 3038CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1y1s s ASP 3039N -3.57 6.93 -1.46 7.83 -0.00 -0.54 -4.42 116.67 121.43 1y1s s ASP 3039Ca 0.10 1.33 -0.08 0.00 -0.00 0.00 0.00 52.55 53.90 1y1s s ASP 3039Cb -0.01 -2.39 0.06 0.00 -0.00 0.00 0.00 42.92 40.58 1y1s s ASP 3039CO 0.06 -0.05 0.81 0.29 -0.00 0.00 0.00 175.17 176.29 1y1s n LYS 3040N 0.32 -4.88 -1.85 8.23 5.02 -1.26 0.43 118.16 124.16 1y1s n LYS 3040Ca -0.00 0.56 -0.42 0.00 -2.02 0.00 0.00 58.31 56.43 1y1s n LYS 3040Cb 0.52 -5.25 -0.03 0.00 -0.02 0.00 0.00 35.03 30.26 1y1s n LYS 3040CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1y1s s PRO 3041N -6.44 4.18 -0.10 1.97 0.04 -1.26 -4.42 135.00 128.97 1y1s s PRO 3041Ca 0.39 2.47 -0.04 0.00 0.04 0.00 0.00 61.00 63.86 1y1s s PRO 3041Cb -0.20 -3.10 0.05 0.00 0.04 0.00 0.00 34.50 31.29 1y1s s PRO 3041CO 0.84 -0.63 0.19 0.08 0.04 0.00 0.00 177.00 177.52 1y1s s VAL 3042N 0.83 -0.28 0.38 -0.36 1.01 0.12 -4.98 120.40 117.12 1y1s s VAL 3042Ca 0.69 0.31 -0.27 0.00 0.00 0.00 0.00 61.98 62.71 1y1s s VAL 3042Cb -0.46 -0.33 -0.09 0.00 0.00 0.00 0.00 36.38 35.49 1y1s s VAL 3042CO 0.36 0.13 1.35 -0.75 0.00 0.00 0.00 175.10 176.19 1y1s s LYS 3043N 2.20 4.08 -0.10 2.72 2.20 -1.26 -1.36 119.74 128.21 1y1s s LYS 3043Ca 0.01 2.27 -0.07 0.00 -0.36 0.00 0.00 55.97 57.82 1y1s s LYS 3043Cb -0.12 -2.87 -0.05 0.00 -1.51 0.00 0.00 37.83 33.28 1y1s s LYS 3043CO -0.07 -0.45 -0.17 1.28 -0.36 0.00 0.00 175.35 175.58 1y1s n LEU 3044N 0.35 1.14 -3.87 5.43 4.77 0.21 -4.89 117.00 120.14 1y1s n LEU 3044Ca 0.02 0.19 -0.09 0.00 -0.03 0.00 0.00 56.01 56.10 1y1s n LEU 3044Cb 0.42 -0.44 -0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1y1s n LEU 3044CO 0.58 0.02 0.45 0.00 -1.33 0.00 0.00 177.39 177.11 1y1s s ALA 3045N -2.31 -0.74 -0.30 -1.18 0.00 -1.12 -5.01 121.76 111.09 1y1s s ALA 3045Ca -0.17 -0.67 -0.03 0.00 0.00 0.00 0.00 51.96 51.09 1y1s s ALA 3045Cb 0.06 0.81 0.19 0.00 0.00 0.00 0.00 23.12 24.18 1y1s s ALA 3045CO 0.23 -0.98 0.77 0.45 0.00 0.00 0.00 175.76 176.23 1y1s s SER 3046N -3.03 -1.12 -0.01 0.00 0.15 -1.26 -0.88 113.70 107.56 1y1s s SER 3046Ca 0.16 0.35 0.03 0.00 0.70 0.00 0.00 55.95 57.19 1y1s s SER 3046Cb -0.05 1.80 -0.01 0.00 -1.71 0.00 0.00 66.02 66.05 1y1s s SER 3046CO 0.10 -0.21 -0.10 -1.00 1.20 0.00 0.00 173.24 173.23 1y1s s HIS 3047N 2.88 0.92 0.00 3.44 3.76 -0.99 -4.96 115.29 120.34 1y1s s HIS 3047Ca 0.15 -0.18 0.00 0.00 -0.15 0.00 0.00 55.06 54.87 1y1s s HIS 3047Cb -0.10 -0.59 0.00 0.00 1.11 0.00 0.00 32.58 33.01 1y1s s HIS 3047CO -0.22 -0.01 0.00 0.54 -0.85 0.00 0.00 174.74 174.20 1y1s n ARG 3048N 2.77 0.00 -0.40 1.40 1.74 -1.26 0.09 116.66 121.00 1y1s n ARG 3048Ca -0.14 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.03 1y1s n ARG 3048Cb 0.56 0.00 0.28 0.00 -1.02 0.00 0.00 32.46 32.28 1y1s n ARG 3048CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1y1s n GLU 3049N 14.00 2.80 -3.48 5.56 0.00 -1.26 -4.75 120.64 133.51 1y1s n GLU 3049Ca 0.00 -2.25 -0.42 0.00 0.00 0.00 0.00 57.16 54.49 1y1s n GLU 3049Cb 0.00 -1.62 -0.04 0.00 0.00 0.00 0.00 31.44 29.78 1y1s n GLU 3049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1y1s s PHE 3050N -1.48 3.78 -0.22 -1.84 0.40 0.11 -4.00 117.98 114.73 1y1s s PHE 3050Ca 0.41 -2.48 -0.10 0.00 -0.60 0.00 0.00 56.93 54.16 1y1s s PHE 3050Cb 0.24 -3.56 -0.05 0.00 0.51 0.00 0.00 43.02 40.15 1y1s s PHE 3050CO 0.24 -0.90 0.15 0.95 0.70 0.00 0.00 175.22 176.35 1y1s s THR 3051N -0.40 5.39 -0.02 0.64 -4.23 -1.26 -2.35 115.64 113.41 1y1s s THR 3051Ca 0.21 0.19 0.07 0.00 -1.18 0.00 0.00 61.69 60.98 1y1s s THR 3051Cb -0.12 -3.49 -0.02 0.00 1.34 0.00 0.00 72.50 70.21 1y1s s THR 3051CO -0.08 0.39 -0.22 -0.94 -0.54 0.00 0.00 174.62 173.24 1y1s s SER 3052N 0.69 3.41 0.16 3.99 1.04 -0.06 -2.24 113.70 120.70 1y1s s SER 3052Ca 0.08 -0.38 0.04 0.00 0.48 0.00 0.00 55.95 56.16 1y1s s SER 3052Cb -0.12 -0.52 -0.05 0.00 0.10 0.00 0.00 66.02 65.44 1y1s s SER 3052CO 0.01 0.32 -0.07 0.26 0.98 0.00 0.00 173.24 174.75 1y1s s TRP 3053N -0.67 1.29 0.05 5.02 0.52 -0.06 -0.61 118.94 124.47 1y1s s TRP 3053Ca 0.11 -0.84 0.05 0.00 0.02 0.00 0.00 56.10 55.45 1y1s s TRP 3053Cb -0.10 -0.69 -0.02 0.00 -1.15 0.00 0.00 33.47 31.50 1y1s s TRP 3053CO -0.00 0.00 -0.16 0.50 0.02 0.00 0.00 176.95 177.32 1y1s s ARG 3054N -3.80 0.99 0.03 4.98 3.52 -0.46 -1.25 118.95 122.97 1y1s s ARG 3054Ca 0.19 -0.85 -0.01 0.00 -0.13 0.00 0.00 55.73 54.94 1y1s s ARG 3054Cb 0.04 -1.04 0.00 0.00 -1.56 0.00 0.00 34.95 32.39 1y1s s ARG 3054CO 0.02 0.25 0.05 0.00 -0.81 0.00 0.00 175.30 174.82 1y1s n ALA 3055N 1.72 -0.08 -3.16 6.12 0.00 0.10 -0.70 120.51 124.52 1y1s n ALA 3055Ca -0.19 -0.13 -0.15 0.00 0.00 0.00 0.00 53.44 52.97 1y1s n ALA 3055Cb 0.54 0.11 -0.15 0.00 0.00 0.00 0.00 19.45 19.95 1y1s n ALA 3055CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1y1s s GLU 3056N -2.05 0.28 -0.18 0.00 2.02 0.17 0.37 118.70 119.30 1y1s s GLU 3056Ca 0.02 -0.04 0.01 0.00 0.02 0.00 0.00 54.97 54.98 1y1s s GLU 3056Cb -0.00 -0.34 0.03 0.00 0.10 0.00 0.00 34.13 33.92 1y1s s GLU 3056CO 0.02 -0.01 -0.13 -0.51 0.02 0.00 0.00 175.26 174.65 1y1s s LEU 3057N 0.35 2.11 -1.44 1.80 1.43 0.50 -1.47 118.68 121.96 1y1s s LEU 3057Ca -0.03 -0.74 -0.01 0.00 -1.03 0.00 0.00 54.13 52.32 1y1s s LEU 3057Cb -0.06 -1.27 0.01 0.00 0.03 0.00 0.00 46.19 44.90 1y1s s LEU 3057CO -0.01 -0.10 0.37 0.47 0.23 0.00 0.00 176.35 177.32 1y1s n ASP 3058N 4.69 -0.26 0.00 2.29 9.92 -1.26 0.01 116.55 131.95 1y1s n ASP 3058Ca -0.16 -1.04 0.00 0.00 -0.53 0.00 0.00 54.79 53.05 1y1s n ASP 3058Cb 0.48 -2.84 0.00 0.00 -0.64 0.00 0.00 41.12 38.12 1y1s n ASP 3058CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1y1s n GLY 3059N -2.04 0.57 3.52 0.44 0.00 -1.26 -5.00 105.19 101.42 1y1s n GLY 3059Ca -0.30 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 1y1s n GLY 3059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y1s s LYS 3060N -0.39 3.77 0.12 1.61 -0.14 0.10 -5.06 119.74 119.74 1y1s s LYS 3060Ca 0.00 -0.43 -0.31 0.00 -1.36 0.00 0.00 55.97 53.86 1y1s s LYS 3060Cb 0.00 -3.25 -0.09 0.00 -1.68 0.00 0.00 37.83 32.80 1y1s s LYS 3060CO 0.00 0.01 1.66 0.00 -0.76 0.00 0.00 175.35 176.25 1y1s s ALA 3061N 1.08 3.74 -0.00 5.17 0.00 -1.26 -0.37 121.76 130.12 1y1s s ALA 3061Ca 0.04 1.32 0.05 0.00 0.00 0.00 0.00 51.96 53.37 1y1s s ALA 3061Cb -0.14 -3.68 -0.01 0.00 0.00 0.00 0.00 23.12 19.28 1y1s s ALA 3061CO 0.03 -1.00 -0.15 0.08 0.00 0.00 0.00 175.76 174.72 1y1s s VAL 3062N 2.07 1.18 0.01 0.00 1.01 0.16 -4.18 120.40 120.64 1y1s s VAL 3062Ca 0.74 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1y1s s VAL 3062Cb -0.43 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1y1s s VAL 3062CO 0.32 0.28 0.07 -0.63 0.00 0.00 0.00 175.10 175.15 1y1s s ILE 3063N -0.43 4.63 -0.22 2.22 -1.09 -0.99 0.00 121.20 125.33 1y1s s ILE 3063Ca 0.05 -0.50 -0.02 0.00 -2.23 0.00 0.00 60.65 57.95 1y1s s ILE 3063Cb -0.06 -3.13 0.07 0.00 -1.58 0.00 0.00 42.46 37.75 1y1s s ILE 3063CO -0.00 0.31 0.05 -0.69 -1.23 0.00 0.00 174.94 173.37 1y1s s VAL 3064N -1.22 0.62 -0.08 2.92 1.01 -0.38 -0.00 120.40 123.26 1y1s s VAL 3064Ca 0.24 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1y1s s VAL 3064Cb -0.12 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.08 1y1s s VAL 3064CO 0.15 -0.32 -0.11 0.00 0.00 0.00 0.00 175.10 174.82 1y1s s SER 3066N 1.00 2.80 0.00 0.00 1.04 -0.95 -3.82 113.70 113.77 1y1s s SER 3066Ca -0.08 1.41 0.00 0.00 0.48 0.00 0.00 55.95 57.76 1y1s s SER 3066Cb -0.15 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 63.89 1y1s s SER 3066CO -0.00 -3.05 0.00 0.35 0.98 0.00 0.00 173.24 171.52 1y1s n THR 3067N -4.14 0.00 0.00 2.02 -2.24 -0.73 -4.60 114.28 104.58 1y1s n THR 3067Ca 0.06 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1y1s n THR 3067Cb 0.56 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 1y1s n THR 3067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y1s n GLY 3068N 1.28 -1.26 3.75 3.38 0.00 -0.84 -3.13 105.19 108.38 1y1s n GLY 3068Ca 0.00 -1.56 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 1y1s n GLY 3068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y1s s ILE 3069N -1.10 4.64 0.00 -0.61 1.01 -1.26 -4.72 121.20 119.17 1y1s s ILE 3069Ca 0.00 1.65 0.00 0.00 0.00 0.00 0.00 60.65 62.30 1y1s s ILE 3069Cb 0.00 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.35 1y1s s ILE 3069CO 0.00 0.40 0.00 0.61 0.00 0.00 0.00 174.94 175.95 1y1s n GLY 3070N 2.19 0.81 0.19 6.18 0.00 -1.26 -4.56 105.19 108.76 1y1s n GLY 3070Ca -0.03 -1.86 -0.08 0.00 0.00 0.00 0.00 46.02 44.05 1y1s n GLY 3070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1y1s h GLY 3071N 0.00 0.46 0.96 -0.02 0.00 -1.88 -2.80 103.07 99.79 1y1s h GLY 3071Ca 0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.74 1y1s h GLY 3071CO 0.00 0.51 -0.25 -2.55 0.00 0.00 0.00 176.54 174.25 1y1s h PRO 3072N 0.31 -0.65 -0.36 4.80 0.11 -1.94 0.16 132.00 134.42 1y1s h PRO 3072Ca -0.01 0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.09 1y1s h PRO 3072Cb 1.14 0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1y1s h PRO 3072CO 0.11 -0.44 -0.02 0.66 -0.21 0.00 0.00 178.00 178.09 1y1s h SER 3073N -0.68 0.55 -0.66 -2.05 4.64 -1.79 -2.34 113.55 111.21 1y1s h SER 3073Ca -0.06 -0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.11 1y1s h SER 3073Cb 0.54 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 1y1s h SER 3073CO 0.09 0.63 0.27 0.74 -0.87 0.00 0.00 176.83 177.70 1y1s h THR 3074N 0.55 1.24 -0.15 2.95 2.02 -1.28 -2.48 112.91 115.75 1y1s h THR 3074Ca 0.11 -0.73 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 1y1s h THR 3074Cb 0.39 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1y1s h THR 3074CO 0.02 0.29 -0.07 0.77 0.37 0.00 0.00 175.52 176.90 1y1s h SER 3075N 0.93 0.21 -0.12 4.18 4.64 -0.15 -1.14 113.55 122.11 1y1s h SER 3075Ca 0.22 -0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 61.39 1y1s h SER 3075Cb 0.19 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1y1s h SER 3075CO -0.02 0.32 -0.38 0.40 -0.87 0.00 0.00 176.83 176.28 1y1s h ILE 3076N 0.22 1.38 -0.21 0.95 2.04 -1.25 -2.05 117.51 118.58 1y1s h ILE 3076Ca 0.05 -1.70 -0.01 0.00 1.00 0.00 0.00 64.86 64.20 1y1s h ILE 3076Cb 0.28 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 1y1s h ILE 3076CO 0.01 0.50 0.09 0.00 0.00 0.00 0.00 178.15 178.76 1y1s h ALA 3077N 0.50 0.27 -0.48 1.87 0.00 -1.09 -2.52 119.26 117.80 1y1s h ALA 3077Ca -0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1y1s h ALA 3077Cb 1.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1y1s h ALA 3077CO 0.08 -0.15 0.17 0.28 0.00 0.00 0.00 179.25 179.63 1y1s h VAL 3078N 0.20 1.22 0.62 0.00 2.07 -1.29 -1.63 116.25 117.44 1y1s h VAL 3078Ca 0.07 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 1y1s h VAL 3078Cb 0.15 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1y1s h VAL 3078CO -0.01 0.26 -0.31 -0.08 0.02 0.00 0.00 177.57 177.46 1y1s h GLU 3079N 0.64 -0.82 -0.24 1.57 4.57 -1.32 -0.54 114.58 118.44 1y1s h GLU 3079Ca 0.16 0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.34 1y1s h GLU 3079Cb 0.24 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 1y1s h GLU 3079CO -0.01 -0.55 -0.07 0.93 -1.18 0.00 0.00 179.01 178.13 1y1s h GLU 3080N -0.85 0.38 -0.66 1.92 5.08 -1.49 -0.34 114.58 118.62 1y1s h GLU 3080Ca -0.08 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.11 1y1s h GLU 3080Cb 0.66 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 1y1s h GLU 3080CO 0.13 0.47 0.09 -0.07 -1.00 0.00 0.00 179.01 178.63 1y1s h LEU 3081N 0.36 1.06 -0.90 1.33 4.07 -1.14 -1.96 115.31 118.14 1y1s h LEU 3081Ca 0.08 -0.26 -0.08 0.00 0.08 0.00 0.00 57.88 57.69 1y1s h LEU 3081Cb 0.36 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.81 1y1s h LEU 3081CO 0.02 1.06 -0.40 0.00 -1.08 0.00 0.00 178.44 178.04 1y1s h ALA 3082N 1.06 0.99 0.00 1.53 0.00 -0.39 -2.17 119.26 120.28 1y1s h ALA 3082Ca 0.20 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1y1s h ALA 3082Cb 0.46 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1y1s h ALA 3082CO 0.02 0.50 -0.09 1.96 0.00 0.00 0.00 179.25 181.63 1y1s h GLN 3083N 0.00 0.00 0.00 0.00 4.20 -0.34 -2.60 115.11 116.37 1y1s h GLN 3083Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1y1s h GLN 3083Cb 0.92 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.70 1y1s h GLN 3083CO 0.05 0.09 -0.88 1.28 -0.67 0.00 0.00 178.83 178.71 1y1s n LEU 3084N -3.30 0.71 0.00 1.46 4.77 -0.91 -4.98 117.00 114.75 1y1s n LEU 3084Ca -0.00 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1y1s n LEU 3084Cb 0.30 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1y1s n LEU 3084CO 0.29 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1y1s n GLY 3085N 1.46 1.39 3.77 -0.72 0.00 -0.98 -4.81 105.19 105.29 1y1s n GLY 3085Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1y1s n GLY 3085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y1s s ILE 3086N -1.06 2.06 0.00 -0.61 -1.09 -0.87 -4.67 121.20 114.97 1y1s s ILE 3086Ca 0.00 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.48 1y1s s ILE 3086Cb 0.00 -3.04 0.00 0.00 -1.58 0.00 0.00 42.46 37.84 1y1s s ILE 3086CO 0.00 0.01 0.00 0.54 -1.23 0.00 0.00 174.94 174.26 1y1s n ARG 3087N 1.05 3.55 -4.86 2.79 5.12 0.17 -4.32 116.66 120.16 1y1s n ARG 3087Ca 0.03 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.68 1y1s n ARG 3087Cb 0.39 -0.45 -0.17 0.00 -1.16 0.00 0.00 32.46 31.07 1y1s n ARG 3087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1y1s s THR 3088N -0.77 1.52 -0.08 0.55 2.01 -0.96 -0.79 115.64 117.12 1y1s s THR 3088Ca 0.00 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.30 1y1s s THR 3088Cb 0.00 -1.34 0.02 0.00 0.01 0.00 0.00 72.50 71.19 1y1s s THR 3088CO 0.00 0.44 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.89 1y1s s PHE 3089N 0.41 1.55 -0.23 4.92 0.40 0.70 -0.79 117.98 124.94 1y1s s PHE 3089Ca -0.14 -0.65 0.02 0.00 -0.60 0.00 0.00 56.93 55.56 1y1s s PHE 3089Cb -0.16 -1.17 0.04 0.00 0.51 0.00 0.00 43.02 42.25 1y1s s PHE 3089CO 0.05 -0.37 -0.13 -0.51 0.70 0.00 0.00 175.22 174.96 1y1s s LEU 3090N 0.96 3.02 -0.02 -0.37 1.43 -0.58 -0.17 118.68 122.95 1y1s s LEU 3090Ca -0.09 -1.13 -0.18 0.00 -1.03 0.00 0.00 54.13 51.71 1y1s s LEU 3090Cb -0.15 -1.54 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 1y1s s LEU 3090CO 0.00 -0.13 0.49 -0.60 0.23 0.00 0.00 176.35 176.35 1y1s s ARG 3091N 1.18 4.17 -0.16 1.70 3.52 -0.39 -0.90 118.95 128.07 1y1s s ARG 3091Ca -0.04 0.55 -0.01 0.00 -0.13 0.00 0.00 55.73 56.10 1y1s s ARG 3091Cb -0.18 -3.31 0.04 0.00 -1.56 0.00 0.00 34.95 29.95 1y1s s ARG 3091CO -0.07 0.47 -0.05 -1.50 -0.81 0.00 0.00 175.30 173.34 1y1s s ILE 3092N -0.43 1.02 0.03 4.11 -1.16 -1.24 -0.86 121.20 122.67 1y1s s ILE 3092Ca 0.27 -0.54 0.01 0.00 -0.51 0.00 0.00 60.65 59.87 1y1s s ILE 3092Cb -0.17 -1.19 -0.00 0.00 0.61 0.00 0.00 42.46 41.70 1y1s s ILE 3092CO 0.14 0.14 0.03 0.61 -2.81 0.00 0.00 174.94 173.05 1y1s n GLY 3093N 4.91 3.84 3.76 1.50 0.00 -0.59 -4.03 105.19 114.58 1y1s n GLY 3093Ca -0.11 -1.65 -0.27 0.00 0.00 0.00 0.00 46.02 43.99 1y1s n GLY 3093CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y1s s THR 3094N -2.15 4.32 0.12 2.61 -4.23 -1.26 -0.73 115.64 114.31 1y1s s THR 3094Ca 0.03 -1.11 -0.19 0.00 -1.18 0.00 0.00 61.69 59.25 1y1s s THR 3094Cb 0.00 -3.18 0.05 0.00 1.34 0.00 0.00 72.50 70.71 1y1s s THR 3094CO 0.02 -0.07 0.47 0.28 -0.54 0.00 0.00 174.62 174.78 1y1s s THR 3095N -1.68 0.05 -0.21 3.99 -1.32 -0.19 -4.81 115.64 111.47 1y1s s THR 3095Ca 0.30 -0.38 -0.05 0.00 -1.21 0.00 0.00 61.69 60.35 1y1s s THR 3095Cb -0.10 -1.09 -0.02 0.00 -1.51 0.00 0.00 72.50 69.77 1y1s s THR 3095CO 0.22 -0.21 0.01 -0.83 -2.21 0.00 0.00 174.62 171.60 1y1s s GLY 3096N -2.65 1.72 0.42 6.08 0.00 -1.00 -1.48 107.32 110.41 1y1s s GLY 3096Ca 0.01 -1.01 -0.20 0.00 0.00 0.00 0.00 44.72 43.53 1y1s s GLY 3096CO -0.11 0.27 0.93 0.00 0.00 0.00 0.00 173.10 174.19 1y1s s ALA 3097N 1.07 3.08 -0.02 3.20 0.00 -0.06 -1.10 121.76 127.92 1y1s s ALA 3097Ca 0.02 0.34 0.03 0.00 0.00 0.00 0.00 51.96 52.35 1y1s s ALA 3097Cb -0.14 -3.10 0.05 0.00 0.00 0.00 0.00 23.12 19.92 1y1s s ALA 3097CO 0.02 0.13 0.95 0.44 0.00 0.00 0.00 175.76 177.30 1y1s n ILE 3098N -0.67 0.96 -4.37 0.00 -6.64 -0.69 -0.91 119.36 107.04 1y1s n ILE 3098Ca 0.07 -1.02 -0.34 0.00 -1.77 0.00 0.00 62.75 59.69 1y1s n ILE 3098Cb 0.54 0.46 -0.14 0.00 -1.44 0.00 0.00 39.64 39.06 1y1s n ILE 3098CO 0.00 0.00 0.00 -1.10 -1.77 0.00 0.00 176.55 173.68 1y1s s GLN 3099N -1.12 3.41 0.46 6.28 -1.52 -1.26 -4.84 119.66 121.09 1y1s s GLN 3099Ca 0.05 -0.64 0.30 0.00 -1.95 0.00 0.00 55.36 53.12 1y1s s GLN 3099Cb 0.04 -2.81 1.38 0.00 -0.22 0.00 0.00 33.01 31.40 1y1s s GLN 3099CO 0.00 0.05 1.72 -1.35 -0.25 0.00 0.00 175.29 175.46 1y1s h PRO 3100N 7.27 0.16 -0.00 2.91 0.11 -1.97 -1.19 132.00 139.28 1y1s h PRO 3100Ca -0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1y1s h PRO 3100Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1y1s h PRO 3100CO 0.59 0.10 -0.21 -2.39 -0.21 0.00 0.00 178.00 175.88 1y1s n HIS 3101N -4.46 0.00 -3.29 0.65 1.44 -1.26 -4.58 115.22 103.72 1y1s n HIS 3101Ca 0.31 0.00 -0.46 0.00 -2.01 0.00 0.00 57.72 55.55 1y1s n HIS 3101Cb 1.25 -0.34 -0.03 0.00 0.12 0.00 0.00 29.99 30.98 1y1s n HIS 3101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1y1s s ILE 3102N -2.89 5.34 0.47 0.61 1.01 -0.45 -5.05 121.20 120.24 1y1s s ILE 3102Ca 0.16 -1.91 -0.05 0.00 0.00 0.00 0.00 60.65 58.86 1y1s s ILE 3102Cb 0.19 -4.43 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 1y1s s ILE 3102CO 0.58 -0.99 0.76 0.54 0.00 0.00 0.00 174.94 175.83 1y1s s ASN 3103N 2.94 6.25 0.26 3.58 2.20 -1.26 -4.77 114.94 124.13 1y1s s ASN 3103Ca 0.12 0.86 -0.30 0.00 -0.94 0.00 0.00 52.86 52.60 1y1s s ASN 3103Cb -0.19 -2.20 -0.13 0.00 -2.00 0.00 0.00 41.25 36.72 1y1s s ASN 3103CO -0.03 -0.56 1.32 1.33 -2.94 0.00 0.00 177.10 176.22 1y1s n VAL 3104N -2.22 1.27 0.00 3.54 0.24 -1.26 -2.70 118.33 117.20 1y1s n VAL 3104Ca 0.00 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 1y1s n VAL 3104Cb 0.55 -1.39 0.00 0.00 -1.47 0.00 0.00 33.84 31.53 1y1s n VAL 3104CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1y1s n GLY 3105N 1.76 2.01 3.80 7.63 0.00 0.37 -5.00 105.19 115.77 1y1s n GLY 3105Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1y1s n GLY 3105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1y1s s ASP 3106N -1.74 4.62 -0.16 1.61 -0.00 -1.10 -4.72 116.67 115.19 1y1s s ASP 3106Ca 0.00 1.37 -0.01 0.00 -0.00 0.00 0.00 52.55 53.92 1y1s s ASP 3106Cb 0.00 -2.13 -0.01 0.00 -0.00 0.00 0.00 42.92 40.78 1y1s s ASP 3106CO 0.00 -1.89 -0.12 -0.69 -0.00 0.00 0.00 175.17 172.46 1y1s s VAL 3107N -3.13 2.96 -0.21 -1.27 1.01 -0.49 -1.05 120.40 118.22 1y1s s VAL 3107Ca 0.60 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 1y1s s VAL 3107Cb -0.14 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 1y1s s VAL 3107CO 0.54 0.50 -0.06 -0.76 0.00 0.00 0.00 175.10 175.33 1y1s s LEU 3108N 0.76 2.82 -0.23 3.92 1.43 0.07 -1.68 118.68 125.77 1y1s s LEU 3108Ca -0.05 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 1y1s s LEU 3108Cb -0.15 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.31 1y1s s LEU 3108CO 0.01 -0.01 0.17 -0.69 0.23 0.00 0.00 176.35 176.06 1y1s s VAL 3109N 1.41 5.36 -0.28 -1.59 1.01 -0.58 -1.54 120.40 124.20 1y1s s VAL 3109Ca 0.05 0.22 -0.18 0.00 0.00 0.00 0.00 61.98 62.07 1y1s s VAL 3109Cb -0.14 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1y1s s VAL 3109CO -0.04 0.37 0.50 -0.89 0.00 0.00 0.00 175.10 175.04 1y1s s THR 3110N 0.87 5.07 -0.01 3.92 2.01 -0.22 -2.56 115.64 124.71 1y1s s THR 3110Ca 0.08 0.77 -0.16 0.00 0.31 0.00 0.00 61.69 62.69 1y1s s THR 3110Cb -0.13 -3.84 -0.33 0.00 0.01 0.00 0.00 72.50 68.21 1y1s s THR 3110CO 0.03 0.04 0.88 0.71 -0.69 0.00 0.00 174.62 175.59 1y1s h THR 3111N 5.43 1.25 -2.43 -0.82 1.35 -1.59 -3.40 112.91 112.70 1y1s h THR 3111Ca -0.29 -2.61 0.02 0.00 -0.55 0.00 0.00 66.41 62.98 1y1s h THR 3111Cb 1.14 3.01 -0.16 0.00 -1.73 0.00 0.00 68.15 70.41 1y1s h THR 3111CO 0.72 0.79 0.32 0.00 -0.25 0.00 0.00 175.52 177.09 1y1s s ALA 3112N -2.55 -1.73 0.08 6.62 0.00 -1.26 0.59 121.76 123.52 1y1s s ALA 3112Ca -0.12 0.93 0.10 0.00 0.00 0.00 0.00 51.96 52.87 1y1s s ALA 3112Cb 0.04 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.52 1y1s s ALA 3112CO 0.89 -0.61 -0.26 -1.12 0.00 0.00 0.00 175.76 174.66 1y1s s SER 3113N -2.16 3.14 -0.29 0.00 0.01 0.12 -2.01 113.70 112.51 1y1s s SER 3113Ca -0.01 -0.66 -0.29 0.00 1.31 0.00 0.00 55.95 56.30 1y1s s SER 3113Cb -0.01 -0.24 -0.01 0.00 0.21 0.00 0.00 66.02 65.97 1y1s s SER 3113CO -0.05 0.21 1.47 -0.69 0.41 0.00 0.00 173.24 174.58 1y1s s VAL 3114N -0.93 3.89 -1.04 3.43 1.01 0.29 -4.36 120.40 122.69 1y1s s VAL 3114Ca 0.12 0.99 -0.23 0.00 0.00 0.00 0.00 61.98 62.86 1y1s s VAL 3114Cb -0.10 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 1y1s s VAL 3114CO 0.04 -0.44 1.83 -0.13 0.00 0.00 0.00 175.10 176.39 1y1s s ARG 3115N 4.56 2.89 -0.38 2.72 0.52 -1.26 -1.65 118.95 126.36 1y1s s ARG 3115Ca 0.64 -0.85 0.06 0.00 -0.52 0.00 0.00 55.73 55.07 1y1s s ARG 3115Cb -0.20 -5.22 0.60 0.00 0.52 0.00 0.00 34.95 30.66 1y1s s ARG 3115CO 0.27 -3.19 1.72 1.28 0.02 0.00 0.00 175.30 175.41 1y1s n LEU 3116N 12.51 5.61 0.00 2.53 4.77 -0.88 -4.96 117.00 136.58 1y1s n LEU 3116Ca 0.41 -3.67 0.00 0.00 -0.03 0.00 0.00 56.01 52.72 1y1s n LEU 3116Cb 0.48 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1y1s n LEU 3116CO 0.65 1.13 0.00 -0.90 -1.33 0.00 0.00 177.39 176.94 1y1s n ASP 3117N -1.10 1.70 0.00 -1.43 3.85 -1.20 -2.08 116.55 116.29 1y1s n ASP 3117Ca 0.48 -0.33 0.00 0.00 -0.71 0.00 0.00 54.79 54.23 1y1s n ASP 3117Cb 1.40 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 41.17 1y1s n ASP 3117CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1y1s n GLY 3118N 5.00 0.00 0.30 6.12 0.00 -1.26 -4.81 105.19 110.54 1y1s n GLY 3118Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1y1s n GLY 3118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y1s h ALA 3119N 0.00 1.69 -0.40 4.61 0.00 -1.99 -2.13 119.26 121.04 1y1s h ALA 3119Ca 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1y1s h ALA 3119Cb 0.61 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1y1s h ALA 3119CO 0.00 0.27 0.27 0.66 0.00 0.00 0.00 179.25 180.45 1y1s h SER 3120N 0.51 0.36 0.64 0.00 4.64 -1.87 0.84 113.55 118.67 1y1s h SER 3120Ca 0.14 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1y1s h SER 3120Cb -0.01 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1y1s h SER 3120CO -0.03 0.25 0.00 0.18 -0.87 0.00 0.00 176.83 176.36 1y1s n LEU 3121N -4.48 0.39 -0.14 5.97 4.77 -0.80 -1.50 117.00 121.21 1y1s n LEU 3121Ca 0.04 0.60 0.14 0.00 -0.03 0.00 0.00 56.01 56.75 1y1s n LEU 3121Cb 0.16 -0.54 0.56 0.00 -2.33 0.00 0.00 43.42 41.27 1y1s n LEU 3121CO 0.35 -0.43 0.83 1.41 -1.33 0.00 0.00 177.39 178.22 1y1s n HIS 3122N -1.93 0.00 -0.01 -1.77 8.25 0.29 -4.04 115.22 116.01 1y1s n HIS 3122Ca 0.03 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.47 1y1s n HIS 3122Cb 0.21 -0.18 -0.02 0.00 1.12 0.00 0.00 29.99 31.12 1y1s n HIS 3122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1y1s n PHE 3123N -0.91 0.00 -3.63 4.41 3.01 -0.64 -5.08 117.46 114.61 1y1s n PHE 3123Ca 0.14 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.44 1y1s n PHE 3123Cb 0.29 -0.12 -0.07 0.00 -0.01 0.00 0.00 39.48 39.56 1y1s n PHE 3123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1y1s s ALA 3124N -2.06 -1.39 0.84 4.37 0.00 -0.56 -5.01 121.76 117.96 1y1s s ALA 3124Ca -0.03 1.09 -0.13 0.00 0.00 0.00 0.00 51.96 52.90 1y1s s ALA 3124Cb 0.01 -0.21 0.08 0.00 0.00 0.00 0.00 23.12 23.00 1y1s s ALA 3124CO 0.09 -0.31 1.01 -0.35 0.00 0.00 0.00 175.76 176.19 1y1s n PRO 3125N 1.48 -0.01 -0.07 0.00 -0.04 -1.26 -3.93 135.00 131.17 1y1s n PRO 3125Ca -0.18 0.07 0.25 0.00 -0.04 0.00 0.00 63.50 63.59 1y1s n PRO 3125Cb 0.56 -2.28 0.71 0.00 -0.04 0.00 0.00 33.50 32.46 1y1s n PRO 3125CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 1y1s h MET 3126N -1.16 0.00 0.00 0.54 4.05 -1.93 0.11 114.93 116.54 1y1s h MET 3126Ca -0.45 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 1y1s h MET 3126Cb 1.30 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.10 1y1s h MET 3126CO 0.43 0.00 0.00 0.39 0.23 0.00 0.00 176.91 177.96 1y1s n GLU 3127N -3.94 0.08 -2.85 0.39 4.71 -1.26 -4.69 120.64 113.08 1y1s n GLU 3127Ca 0.14 0.32 -0.41 0.00 -0.01 0.00 0.00 57.16 57.20 1y1s n GLU 3127Cb 0.86 -1.66 -0.04 0.00 -1.01 0.00 0.00 31.44 29.59 1y1s n GLU 3127CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 1y1s s PHE 3128N -3.13 3.65 -0.06 -0.32 2.19 0.37 -5.01 117.98 115.66 1y1s s PHE 3128Ca 0.06 1.53 -0.30 0.00 0.33 0.00 0.00 56.93 58.55 1y1s s PHE 3128Cb 0.10 -2.98 -0.04 0.00 -1.31 0.00 0.00 43.02 38.79 1y1s s PHE 3128CO 0.32 0.07 1.31 -1.25 1.83 0.00 0.00 175.22 177.50 1y1s s PRO 3129N 0.76 4.29 -1.30 10.12 0.04 -1.26 -4.92 135.00 142.73 1y1s s PRO 3129Ca 0.45 1.80 -0.16 0.00 0.04 0.00 0.00 61.00 63.13 1y1s s PRO 3129Cb -0.20 -3.64 -0.00 0.00 0.04 0.00 0.00 34.50 30.70 1y1s s PRO 3129CO 0.24 -0.57 2.13 0.00 0.04 0.00 0.00 177.00 178.84 1y1s n ALA 3130N 5.71 4.89 -2.80 8.56 0.00 -1.26 -4.78 120.51 130.83 1y1s n ALA 3130Ca 0.13 -3.75 -0.35 0.00 0.00 0.00 0.00 53.44 49.47 1y1s n ALA 3130Cb 0.45 -3.56 -0.08 0.00 0.00 0.00 0.00 19.45 16.25 1y1s n ALA 3130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1y1s s VAL 3131N 3.77 5.08 0.40 0.00 0.11 -1.26 0.10 120.40 128.60 1y1s s VAL 3131Ca 0.50 0.06 -0.24 0.00 -2.93 0.00 0.00 61.98 59.37 1y1s s VAL 3131Cb 0.13 -3.25 -0.09 0.00 -1.53 0.00 0.00 36.38 31.64 1y1s s VAL 3131CO -0.03 0.53 1.05 0.00 -3.33 0.00 0.00 175.10 173.31 1y1s s ALA 3132N -0.24 3.09 0.46 1.54 0.00 0.20 -4.76 121.76 122.06 1y1s s ALA 3132Ca 0.09 0.69 -0.25 0.00 0.00 0.00 0.00 51.96 52.50 1y1s s ALA 3132Cb -0.12 -3.27 -0.08 0.00 0.00 0.00 0.00 23.12 19.65 1y1s s ALA 3132CO 0.01 -0.20 1.41 -3.47 0.00 0.00 0.00 175.76 173.51 1y1s n ASP 3133N -0.06 3.18 0.28 0.00 -0.08 -0.35 -4.90 116.55 114.63 1y1s n ASP 3133Ca 0.05 1.10 -0.16 0.00 -1.51 0.00 0.00 54.79 54.27 1y1s n ASP 3133Cb 0.50 -1.59 -0.08 0.00 2.34 0.00 0.00 41.12 42.28 1y1s n ASP 3133CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1y1s h PHE 3134N 2.14 -0.65 -0.34 -0.67 3.57 -1.94 -2.37 116.94 116.69 1y1s h PHE 3134Ca -0.51 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.04 1y1s h PHE 3134Cb 1.28 0.21 -0.08 0.00 2.79 0.00 0.00 35.95 40.15 1y1s h PHE 3134CO 0.49 -0.36 -0.43 0.00 -2.23 0.00 0.00 178.31 175.78 1y1s h ALA 3135N -0.37 -0.48 -0.08 2.41 0.00 -1.97 0.17 119.26 118.94 1y1s h ALA 3135Ca -0.07 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1y1s h ALA 3135Cb 0.58 0.88 -0.06 0.00 0.00 0.00 0.00 17.79 19.19 1y1s h ALA 3135CO 0.12 -0.89 -0.29 0.00 0.00 0.00 0.00 179.25 178.19 1y1s h THR 3137N -0.39 0.86 0.20 0.00 2.02 -0.94 0.16 112.91 114.82 1y1s h THR 3137Ca 0.08 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1y1s h THR 3137Cb 0.52 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1y1s h THR 3137CO -0.30 0.12 -0.10 0.74 0.37 0.00 0.00 175.52 176.35 1y1s h THR 3138N 0.68 0.82 -0.62 3.16 2.02 0.11 -0.94 112.91 118.14 1y1s h THR 3138Ca 0.38 -0.12 0.08 0.00 0.77 0.00 0.00 66.41 67.53 1y1s h THR 3138Cb 0.39 0.90 -0.07 0.00 -1.74 0.00 0.00 68.15 67.63 1y1s h THR 3138CO -0.27 0.03 0.27 0.00 0.37 0.00 0.00 175.52 175.92 1y1s h ALA 3139N 0.46 0.82 -0.68 6.16 0.00 0.18 -0.46 119.26 125.74 1y1s h ALA 3139Ca -0.03 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1y1s h ALA 3139Cb 0.25 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1y1s h ALA 3139CO 0.05 -0.13 0.17 -0.07 0.00 0.00 0.00 179.25 179.27 1y1s h LEU 3140N 0.49 1.03 0.03 0.00 3.38 -0.53 0.37 115.31 120.07 1y1s h LEU 3140Ca 0.30 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1y1s h LEU 3140Cb 0.32 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1y1s h LEU 3140CO -0.26 0.99 -0.01 0.58 0.09 0.00 0.00 178.44 179.82 1y1s h VAL 3141N 1.01 1.19 -0.33 1.22 2.07 -0.67 -1.74 116.25 119.01 1y1s h VAL 3141Ca 0.21 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 67.10 1y1s h VAL 3141Cb 0.36 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 1y1s h VAL 3141CO 0.00 0.17 0.09 -0.33 0.02 0.00 0.00 177.57 177.52 1y1s h GLU 3142N -0.33 0.21 -0.81 1.57 5.08 -0.99 -1.45 114.58 117.86 1y1s h GLU 3142Ca -0.00 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1y1s h GLU 3142Cb 0.31 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 1y1s h GLU 3142CO 0.01 0.14 0.51 0.00 -1.00 0.00 0.00 179.01 178.66 1y1s h ALA 3143N 1.23 1.08 -0.03 3.43 0.00 -0.88 0.14 119.26 124.23 1y1s h ALA 3143Ca 0.15 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1y1s h ALA 3143Cb 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1y1s h ALA 3143CO -0.18 0.29 -0.20 0.00 0.00 0.00 0.00 179.25 179.16 1y1s h ALA 3144N 1.36 1.62 0.00 0.00 0.00 -0.73 -0.88 119.26 120.63 1y1s h ALA 3144Ca 0.34 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1y1s h ALA 3144Cb 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1y1s h ALA 3144CO -0.14 0.28 -0.12 -0.22 0.00 0.00 0.00 179.25 179.06 1y1s h LYS 3145N 0.04 0.00 0.13 0.00 3.64 -0.12 -0.53 116.57 119.74 1y1s h LYS 3145Ca 0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1y1s h LYS 3145Cb 0.38 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1y1s h LYS 3145CO 0.03 0.00 -0.06 1.03 -2.27 0.00 0.00 179.45 178.17 1y1s h SER 3146N 0.00 -0.15 0.62 4.20 0.87 0.59 -3.04 113.55 116.64 1y1s h SER 3146Ca 0.00 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1y1s h SER 3146Cb 0.97 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 1y1s h SER 3146CO 0.00 0.45 0.00 0.00 -0.53 0.00 0.00 176.83 176.75 1y1s n ILE 3147N -4.87 0.74 -2.80 2.23 0.13 -0.79 -4.95 119.36 109.05 1y1s n ILE 3147Ca -0.07 0.19 -0.03 0.00 -1.10 0.00 0.00 62.75 61.73 1y1s n ILE 3147Cb 0.26 -0.87 0.00 0.00 -0.84 0.00 0.00 39.64 38.19 1y1s n ILE 3147CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1y1s n GLY 3148N 0.38 -3.11 3.16 4.50 0.00 -0.56 -5.06 105.19 104.49 1y1s n GLY 3148Ca 0.04 0.71 -0.18 0.00 0.00 0.00 0.00 46.02 46.59 1y1s n GLY 3148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y1s s ALA 3149N -1.90 1.11 -0.33 4.61 0.00 -0.31 -5.00 121.76 119.94 1y1s s ALA 3149Ca 0.08 -0.98 -0.28 0.00 0.00 0.00 0.00 51.96 50.78 1y1s s ALA 3149Cb -0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 1y1s s ALA 3149CO 0.75 0.14 2.05 0.99 0.00 0.00 0.00 175.76 179.69 1y1s s THR 3150N -1.32 3.22 0.06 0.00 2.01 -1.26 -4.81 115.64 113.54 1y1s s THR 3150Ca -0.03 0.21 0.09 0.00 0.31 0.00 0.00 61.69 62.27 1y1s s THR 3150Cb -0.10 -3.34 -0.03 0.00 0.01 0.00 0.00 72.50 69.04 1y1s s THR 3150CO 0.02 -0.24 -0.23 -0.89 -0.69 0.00 0.00 174.62 172.59 1y1s s THR 3151N 8.34 2.45 -0.02 -0.82 2.01 -1.26 -1.39 115.64 124.95 1y1s s THR 3151Ca 0.89 -1.35 0.02 0.00 0.31 0.00 0.00 61.69 61.56 1y1s s THR 3151Cb -0.25 -2.01 0.00 0.00 0.01 0.00 0.00 72.50 70.25 1y1s s THR 3151CO 0.32 0.31 -0.07 -1.00 -0.69 0.00 0.00 174.62 173.49 1y1s s HIS 3152N -0.90 0.80 -0.07 4.92 3.76 -0.68 -4.99 115.29 118.13 1y1s s HIS 3152Ca 0.13 -0.19 0.05 0.00 -0.15 0.00 0.00 55.06 54.91 1y1s s HIS 3152Cb -0.10 -0.59 -0.01 0.00 1.11 0.00 0.00 32.58 33.00 1y1s s HIS 3152CO 0.04 -0.09 -0.24 0.08 -0.85 0.00 0.00 174.74 173.68 1y1s s VAL 3153N 0.24 2.08 -1.81 -0.90 1.01 -1.26 -1.53 120.40 118.23 1y1s s VAL 3153Ca -0.03 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.90 1y1s s VAL 3153Cb -0.08 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1y1s s VAL 3153CO 0.00 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1y1s n GLY 3154N 3.16 -0.58 3.88 4.51 0.00 -1.06 -5.00 105.19 110.09 1y1s n GLY 3154Ca -0.18 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 1y1s n GLY 3154CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1y1s s VAL 3155N -3.30 4.80 -0.06 1.61 -7.23 -1.26 -1.46 120.40 113.50 1y1s s VAL 3155Ca 0.00 0.60 0.02 0.00 -1.81 0.00 0.00 61.98 60.78 1y1s s VAL 3155Cb 0.00 -3.73 0.02 0.00 0.56 0.00 0.00 36.38 33.23 1y1s s VAL 3155CO 0.00 -0.51 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.31 1y1s s THR 3156N -2.36 0.87 -0.36 5.32 2.01 -0.85 -1.71 115.64 118.55 1y1s s THR 3156Ca 0.51 -0.31 -0.28 0.00 0.31 0.00 0.00 61.69 61.92 1y1s s THR 3156Cb -0.10 -0.83 0.02 0.00 0.01 0.00 0.00 72.50 71.59 1y1s s THR 3156CO 0.31 0.30 1.05 0.00 -0.69 0.00 0.00 174.62 175.60 1y1s s ALA 3157N 0.85 3.41 -0.55 7.40 0.00 -0.25 -0.55 121.76 132.06 1y1s s ALA 3157Ca -0.12 -0.23 -0.14 0.00 0.00 0.00 0.00 51.96 51.47 1y1s s ALA 3157Cb -0.15 -3.69 0.14 0.00 0.00 0.00 0.00 23.12 19.42 1y1s s ALA 3157CO 0.01 -1.67 0.48 0.45 0.00 0.00 0.00 175.76 175.04 1y1s s SER 3158N 1.87 6.10 0.24 0.00 0.15 -0.66 -2.31 113.70 119.09 1y1s s SER 3158Ca 0.44 -1.92 -0.14 0.00 0.70 0.00 0.00 55.95 55.03 1y1s s SER 3158Cb -0.11 -2.15 -0.08 0.00 -1.71 0.00 0.00 66.02 61.97 1y1s s SER 3158CO 0.19 -0.78 0.63 -0.55 1.20 0.00 0.00 173.24 173.94 1y1s s SER 3159N 3.18 6.78 0.00 5.45 0.15 -0.26 -2.08 113.70 126.93 1y1s s SER 3159Ca 0.05 1.14 0.28 0.00 0.70 0.00 0.00 55.95 58.13 1y1s s SER 3159Cb -0.27 -2.32 1.11 0.00 -1.71 0.00 0.00 66.02 62.84 1y1s s SER 3159CO 0.01 -0.06 1.80 0.47 1.20 0.00 0.00 173.24 176.66 1y1s n ASP 3160N 0.13 0.38 -4.14 5.45 10.43 -0.88 -4.34 116.55 123.57 1y1s n ASP 3160Ca -0.00 -0.30 -0.15 0.00 2.57 0.00 0.00 54.79 56.90 1y1s n ASP 3160Cb 0.52 -0.11 -0.11 0.00 1.84 0.00 0.00 41.12 43.26 1y1s n ASP 3160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1y1s s THR 3161N -2.67 0.87 0.02 -3.53 -4.23 -1.26 -5.00 115.64 99.84 1y1s s THR 3161Ca 0.23 -1.34 0.06 0.00 -1.18 0.00 0.00 61.69 59.45 1y1s s THR 3161Cb 0.19 -1.02 -0.24 0.00 1.34 0.00 0.00 72.50 72.78 1y1s s THR 3161CO 0.52 -0.38 0.89 0.15 -0.54 0.00 0.00 174.62 175.26 1y1s h PHE 3162N 4.12 0.15 0.00 3.99 3.04 -1.97 -3.37 116.94 122.90 1y1s h PHE 3162Ca -0.38 -0.11 0.00 0.00 3.98 0.00 0.00 57.97 61.46 1y1s h PHE 3162Cb 1.19 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.70 1y1s h PHE 3162CO 0.64 1.14 0.00 0.66 -2.02 0.00 0.00 178.31 178.73 1y1s n TYR 3163N -3.27 0.00 -0.23 0.41 4.02 -1.26 -4.30 117.16 112.53 1y1s n TYR 3163Ca -0.12 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.76 1y1s n TYR 3163Cb 1.02 0.00 0.11 0.00 -0.02 0.00 0.00 39.34 40.45 1y1s n TYR 3163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1y1s h PRO 3164N 0.00 0.57 -0.28 -0.72 0.13 -1.87 -1.21 132.00 128.62 1y1s h PRO 3164Ca 0.00 -0.03 0.08 0.00 -0.87 0.00 0.00 66.00 65.18 1y1s h PRO 3164Cb 0.00 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 30.99 1y1s h PRO 3164CO 0.00 0.38 0.27 0.78 -0.23 0.00 0.00 178.00 179.20 1y1s h GLY 3165N 0.59 0.00 -2.38 1.56 0.00 -1.85 0.26 103.07 101.25 1y1s h GLY 3165Ca 0.31 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.56 1y1s h GLY 3165CO -0.23 0.00 0.05 -1.06 0.00 0.00 0.00 176.54 175.30 1y1s n GLN 3166N -3.95 3.17 -3.71 4.80 6.02 -0.68 -4.92 117.38 118.11 1y1s n GLN 3166Ca 0.04 -2.99 -0.31 0.00 -0.01 0.00 0.00 57.00 53.72 1y1s n GLN 3166Cb 0.42 -1.98 0.03 0.00 1.02 0.00 0.00 30.24 29.73 1y1s n GLN 3166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1y1s n GLU 3167N -0.40 -1.10 -4.04 -1.09 2.13 0.93 -4.94 120.64 112.13 1y1s n GLU 3167Ca 0.29 0.49 -0.35 0.00 0.66 0.00 0.00 57.16 58.25 1y1s n GLU 3167Cb 1.07 -3.80 -0.12 0.00 0.27 0.00 0.00 31.44 28.86 1y1s n GLU 3167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1y1s s ARG 3168N -5.91 3.66 0.02 5.31 0.52 -0.55 -4.99 118.95 117.01 1y1s s ARG 3168Ca 0.41 -0.50 0.22 0.00 -0.52 0.00 0.00 55.73 55.34 1y1s s ARG 3168Cb -0.16 -3.12 -0.18 0.00 0.52 0.00 0.00 34.95 32.02 1y1s s ARG 3168CO 0.87 0.02 0.77 0.66 0.02 0.00 0.00 175.30 177.65 1y1s n TYR 3169N 4.22 0.15 -2.44 -0.53 4.02 -1.26 -4.39 117.16 116.94 1y1s n TYR 3169Ca -0.17 0.04 -0.43 0.00 -0.01 0.00 0.00 57.90 57.34 1y1s n TYR 3169Cb 0.52 -0.41 0.00 0.00 -0.02 0.00 0.00 39.34 39.43 1y1s n TYR 3169CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1y1s n ASP 3170N -2.04 4.77 -3.30 7.72 3.85 -1.26 -4.09 116.55 122.20 1y1s n ASP 3170Ca -0.00 -2.93 -0.20 0.00 -0.71 0.00 0.00 54.79 50.95 1y1s n ASP 3170Cb 0.48 -1.67 -0.08 0.00 -1.35 0.00 0.00 41.12 38.50 1y1s n ASP 3170CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 1y1s s THR 3171N 3.13 0.00 0.10 2.12 -4.23 -1.26 -4.99 115.64 110.50 1y1s s THR 3171Ca 0.49 -2.00 -0.31 0.00 -1.18 0.00 0.00 61.69 58.69 1y1s s THR 3171Cb 0.05 -2.50 -0.13 0.00 1.34 0.00 0.00 72.50 71.26 1y1s s THR 3171CO 0.02 0.00 1.50 0.22 -0.54 0.00 0.00 174.62 175.82 1y1s h TYR 3172N 2.11 -1.39 0.00 3.99 5.03 -1.98 -2.95 116.97 121.77 1y1s h TYR 3172Ca -0.24 0.04 -0.20 0.00 2.58 0.00 0.00 58.73 60.91 1y1s h TYR 3172Cb 1.23 0.60 -0.03 0.00 1.55 0.00 0.00 36.73 40.08 1y1s h TYR 3172CO 1.79 -0.53 -0.94 0.66 -1.32 0.00 0.00 178.16 177.82 1y1s h SER 3173N -0.65 0.00 0.00 -2.11 4.64 -1.97 -3.47 113.55 109.98 1y1s h SER 3173Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y1s h SER 3173Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1y1s h SER 3173CO -0.28 0.92 0.00 0.61 -0.87 0.00 0.00 176.83 177.20 1y1s n GLY 3174N 1.34 0.94 3.86 -0.77 0.00 -1.12 -5.01 105.19 104.43 1y1s n GLY 3174Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1y1s n GLY 3174CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1y1s s ARG 3175N -0.21 3.09 -0.07 1.61 1.70 -1.26 -4.73 118.95 119.08 1y1s s ARG 3175Ca 0.00 -0.87 0.03 0.00 -0.47 0.00 0.00 55.73 54.42 1y1s s ARG 3175Cb 0.00 -2.71 0.01 0.00 -0.57 0.00 0.00 34.95 31.67 1y1s s ARG 3175CO 0.00 0.45 -0.16 0.08 -1.08 0.00 0.00 175.30 174.59 1y1s s VAL 3176N -1.92 1.45 0.50 4.99 1.01 -1.26 -4.91 120.40 120.26 1y1s s VAL 3176Ca 0.33 -0.67 -0.23 0.00 0.00 0.00 0.00 61.98 61.40 1y1s s VAL 3176Cb -0.09 -1.28 -0.06 0.00 0.00 0.00 0.00 36.38 34.94 1y1s s VAL 3176CO 0.26 0.42 1.34 0.54 0.00 0.00 0.00 175.10 177.66 1y1s s VAL 3177N 0.46 2.26 0.26 2.92 0.11 -1.26 -4.64 120.40 120.51 1y1s s VAL 3177Ca -0.14 0.21 -0.03 0.00 -2.93 0.00 0.00 61.98 59.09 1y1s s VAL 3177Cb -0.16 -3.11 0.39 0.00 -1.53 0.00 0.00 36.38 31.98 1y1s s VAL 3177CO 0.05 0.01 1.39 -1.14 -3.33 0.00 0.00 175.10 172.08 1y1s n ARG 3178N -0.66 -0.08 -0.27 1.54 0.63 -1.26 -0.68 116.66 115.88 1y1s n ARG 3178Ca 0.08 1.37 0.23 0.00 -0.92 0.00 0.00 57.85 58.61 1y1s n ARG 3178Cb 0.45 -2.10 0.56 0.00 0.45 0.00 0.00 32.46 31.81 1y1s n ARG 3178CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1y1s h ARG 3179N 0.00 0.31 -0.03 -0.14 2.43 -2.02 -2.06 114.38 112.86 1y1s h ARG 3179Ca 0.48 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.63 1y1s h ARG 3179Cb 0.87 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1y1s h ARG 3179CO -0.88 0.20 0.00 1.19 -1.51 0.00 0.00 179.97 178.97 1y1s n PHE 3180N -4.49 0.02 -2.51 2.20 3.01 0.14 -4.75 117.46 111.08 1y1s n PHE 3180Ca 0.22 -0.01 -0.43 0.00 1.01 0.00 0.00 57.45 58.24 1y1s n PHE 3180Cb 0.85 -0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.29 1y1s n PHE 3180CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1y1s s LYS 3181N -1.43 4.21 0.00 -1.08 2.20 -0.78 -2.37 119.74 120.50 1y1s s LYS 3181Ca 0.21 1.50 0.00 0.00 -0.36 0.00 0.00 55.97 57.31 1y1s s LYS 3181Cb 0.14 -3.73 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 1y1s s LYS 3181CO 0.22 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.89 1y1s n GLY 3182N 3.58 1.64 0.26 5.54 0.00 -1.26 -4.92 105.19 110.03 1y1s n GLY 3182Ca 0.13 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.22 1y1s n GLY 3182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1y1s h SER 3183N 0.00 0.05 -0.41 1.61 4.64 -1.76 -2.77 113.55 114.91 1y1s h SER 3183Ca 0.00 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1y1s h SER 3183Cb 0.00 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1y1s h SER 3183CO 0.00 0.06 -0.00 -0.03 -0.87 0.00 0.00 176.83 175.99 1y1s h MET 3184N 0.06 0.73 -0.06 4.77 4.05 -1.92 -0.61 114.93 121.96 1y1s h MET 3184Ca 0.02 -0.24 -0.04 0.00 -0.28 0.00 0.00 59.70 59.16 1y1s h MET 3184Cb 0.03 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.76 1y1s h MET 3184CO -0.00 0.81 -0.13 1.49 0.23 0.00 0.00 176.91 179.31 1y1s h GLU 3185N 0.56 0.09 0.17 0.39 4.81 -1.91 -1.17 114.58 117.53 1y1s h GLU 3185Ca 0.12 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1y1s h GLU 3185Cb 0.49 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1y1s h GLU 3185CO 0.02 0.23 -0.08 0.93 -0.73 0.00 0.00 179.01 179.38 1y1s h GLU 3186N 0.09 -0.22 -0.75 1.92 5.08 -1.19 0.24 114.58 119.75 1y1s h GLU 3186Ca 0.02 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1y1s h GLU 3186Cb 0.30 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 1y1s h GLU 3186CO 0.02 0.15 0.50 -1.49 -1.00 0.00 0.00 179.01 177.19 1y1s h TRP 3187N -0.66 0.90 0.18 4.33 -0.00 -0.93 0.09 115.95 119.87 1y1s h TRP 3187Ca -0.02 0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 58.88 1y1s h TRP 3187Cb 0.48 -0.30 0.00 0.00 -0.00 0.00 0.00 29.16 29.34 1y1s h TRP 3187CO 0.05 0.54 -0.09 1.96 -0.00 0.00 0.00 178.44 180.90 1y1s h GLN 3188N 0.95 -0.24 -0.38 0.49 4.20 -1.15 0.18 115.11 119.16 1y1s h GLN 3188Ca 0.29 0.02 0.11 0.00 0.06 0.00 0.00 58.65 59.13 1y1s h GLN 3188Cb 0.01 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1y1s h GLN 3188CO -0.08 0.01 0.30 0.00 -0.67 0.00 0.00 178.83 178.40 1y1s h ALA 3189N 0.30 2.27 -0.26 3.87 0.00 -0.26 0.25 119.26 125.42 1y1s h ALA 3189Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1y1s h ALA 3189Cb 0.36 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1y1s h ALA 3189CO 0.04 -0.50 0.00 -1.33 0.00 0.00 0.00 179.25 177.46 1y1s n MET 3190N -4.23 1.88 -1.05 0.00 2.81 -0.04 -4.93 117.12 111.55 1y1s n MET 3190Ca 0.06 -1.33 -0.02 0.00 -1.81 0.00 0.00 57.70 54.60 1y1s n MET 3190Cb 0.49 -1.38 -0.01 0.00 -0.71 0.00 0.00 33.22 31.61 1y1s n MET 3190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1y1s n GLY 3191N 1.17 0.53 3.75 3.03 0.00 0.87 -5.00 105.19 109.54 1y1s n GLY 3191Ca 0.16 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 1y1s n GLY 3191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y1s s VAL 3192N -1.94 2.09 -0.15 1.61 1.01 0.59 -4.71 120.40 118.90 1y1s s VAL 3192Ca 0.00 0.07 -0.10 0.00 0.00 0.00 0.00 61.98 61.95 1y1s s VAL 3192Cb 0.00 -3.03 -0.24 0.00 0.00 0.00 0.00 36.38 33.11 1y1s s VAL 3192CO 0.00 -0.00 0.28 0.23 0.00 0.00 0.00 175.10 175.61 1y1s n MET 3193N -0.99 0.71 -3.90 2.72 0.00 -0.70 -4.64 117.12 110.32 1y1s n MET 3193Ca 0.10 0.32 -0.11 0.00 0.00 0.00 0.00 57.70 58.01 1y1s n MET 3193Cb 0.45 -1.70 0.01 0.00 0.00 0.00 0.00 33.22 31.97 1y1s n MET 3193CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1y1s s ASN 3194N -6.99 0.34 -0.06 7.83 4.22 -1.26 -1.71 114.94 117.31 1y1s s ASN 3194Ca -0.25 -1.29 0.05 0.00 -2.14 0.00 0.00 52.86 49.23 1y1s s ASN 3194Cb 0.07 0.80 -0.02 0.00 1.28 0.00 0.00 41.25 43.38 1y1s s ASN 3194CO 0.72 -1.59 -0.21 -0.31 -2.04 0.00 0.00 177.10 173.67 1y1s s TYR 3195N -2.46 2.53 0.28 1.54 2.02 -0.26 -1.09 117.35 119.91 1y1s s TYR 3195Ca 0.20 -0.52 -0.08 0.00 -0.37 0.00 0.00 57.07 56.31 1y1s s TYR 3195Cb -0.04 -1.62 0.03 0.00 -0.40 0.00 0.00 41.96 39.94 1y1s s TYR 3195CO 0.15 -0.08 0.51 -0.85 -1.57 0.00 0.00 175.55 173.71 1y1s n GLU 3196N 2.76 0.74 -0.04 -0.62 -0.00 -0.98 -2.38 120.64 120.12 1y1s n GLU 3196Ca -0.17 -1.83 0.01 0.00 -0.00 0.00 0.00 57.16 55.17 1y1s n GLU 3196Cb 0.52 2.06 0.01 0.00 -0.00 0.00 0.00 31.44 34.03 1y1s n GLU 3196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1y1s n MET 3197N -0.41 1.44 0.00 3.44 2.81 -1.26 -1.10 117.12 122.04 1y1s n MET 3197Ca -0.04 -1.12 0.00 0.00 -1.81 0.00 0.00 57.70 54.73 1y1s n MET 3197Cb 0.44 -0.79 0.00 0.00 -0.71 0.00 0.00 33.22 32.16 1y1s n MET 3197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1y1s n GLU 3198N -0.32 3.29 -0.30 0.03 4.71 -1.26 -3.51 120.64 123.28 1y1s n GLU 3198Ca 0.01 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.17 1y1s n GLU 3198Cb 0.41 -0.40 0.15 0.00 -1.01 0.00 0.00 31.44 30.59 1y1s n GLU 3198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1y1s h SER 3199N 0.00 0.79 -0.69 1.62 4.64 -1.94 0.01 113.55 117.99 1y1s h SER 3199Ca 0.00 0.02 0.04 0.00 -0.47 0.00 0.00 61.79 61.38 1y1s h SER 3199Cb 0.00 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 61.91 1y1s h SER 3199CO 0.00 0.49 0.42 0.00 -0.87 0.00 0.00 176.83 176.88 1y1s h ALA 3200N 1.42 0.91 -0.09 5.18 0.00 -1.88 0.28 119.26 125.08 1y1s h ALA 3200Ca 0.38 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.13 1y1s h ALA 3200Cb 0.22 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1y1s h ALA 3200CO -0.19 0.17 -0.50 1.15 0.00 0.00 0.00 179.25 179.87 1y1s h THR 3201N 0.81 1.38 0.49 0.00 2.02 -1.84 -2.29 112.91 113.47 1y1s h THR 3201Ca 0.28 -1.85 -0.02 0.00 0.77 0.00 0.00 66.41 65.59 1y1s h THR 3201Cb 0.06 2.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1y1s h THR 3201CO -0.13 0.55 -0.24 0.25 0.37 0.00 0.00 175.52 176.33 1y1s h LEU 3202N 0.08 -0.56 -1.13 2.58 5.85 -0.78 -2.09 115.31 119.25 1y1s h LEU 3202Ca -0.04 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1y1s h LEU 3202Cb 1.16 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 1y1s h LEU 3202CO 0.10 -0.35 0.30 -0.07 -0.34 0.00 0.00 178.44 178.08 1y1s h LEU 3203N -0.74 0.82 0.01 2.25 3.38 -0.53 -2.63 115.31 117.89 1y1s h LEU 3203Ca -0.07 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1y1s h LEU 3203Cb 0.54 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1y1s h LEU 3203CO 0.11 0.71 -0.01 0.74 0.09 0.00 0.00 178.44 180.08 1y1s h THR 3204N 0.91 1.47 -0.05 0.22 2.02 -1.41 -1.77 112.91 114.31 1y1s h THR 3204Ca 0.22 -1.53 -0.02 0.00 0.77 0.00 0.00 66.41 65.85 1y1s h THR 3204Cb 0.11 2.49 -0.00 0.00 -1.74 0.00 0.00 68.15 69.00 1y1s h THR 3204CO -0.03 0.39 -0.06 0.00 0.37 0.00 0.00 175.52 176.20 1y1s h MET 3205N -0.69 0.06 0.19 6.66 -0.00 -1.41 -1.77 114.93 117.98 1y1s h MET 3205Ca -0.00 -0.01 -0.32 0.00 -0.00 0.00 0.00 59.70 59.37 1y1s h MET 3205Cb 0.65 -0.01 0.03 0.00 -0.00 0.00 0.00 31.60 32.28 1y1s h MET 3205CO 0.00 0.13 -1.36 0.00 -0.00 0.00 0.00 176.91 175.68 1y1s n ALA 3207N -2.70 2.01 0.91 0.00 0.00 -0.67 -0.81 120.51 119.26 1y1s n ALA 3207Ca -0.15 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.32 1y1s n ALA 3207Cb 1.04 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 19.09 1y1s n ALA 3207CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1y1s n SER 3208N -1.61 1.59 -0.05 0.00 7.64 -0.69 -4.51 113.62 116.00 1y1s n SER 3208Ca 0.05 -1.30 0.01 0.00 1.01 0.00 0.00 58.87 58.64 1y1s n SER 3208Cb 0.27 0.64 0.01 0.00 -1.01 0.00 0.00 64.21 64.12 1y1s n SER 3208CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y1s n GLN 3209N -0.49 1.33 -0.77 1.43 6.02 -1.10 -5.01 117.38 118.80 1y1s n GLN 3209Ca 0.07 -1.12 0.00 0.00 -0.01 0.00 0.00 57.00 55.93 1y1s n GLN 3209Cb 0.39 -0.79 0.00 0.00 1.02 0.00 0.00 30.24 30.86 1y1s n GLN 3209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1y1s n GLY 3210N -0.32 0.58 3.85 1.08 0.00 -1.04 -5.05 105.19 104.28 1y1s n GLY 3210Ca 0.01 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 1y1s n GLY 3210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y1s s LEU 3211N 0.00 4.35 0.04 0.99 1.43 0.01 -5.03 118.68 120.48 1y1s s LEU 3211Ca 0.00 0.43 -0.19 0.00 -1.03 0.00 0.00 54.13 53.34 1y1s s LEU 3211Cb 0.00 -2.08 -0.06 0.00 0.03 0.00 0.00 46.19 44.08 1y1s s LEU 3211CO 0.00 0.36 0.54 -0.13 0.23 0.00 0.00 176.35 177.35 1y1s s ARG 3212N -0.75 4.18 -0.09 1.70 0.52 0.03 -3.87 118.95 120.68 1y1s s ARG 3212Ca 0.14 0.66 -0.10 0.00 -0.52 0.00 0.00 55.73 55.91 1y1s s ARG 3212Cb -0.12 -3.26 0.02 0.00 0.52 0.00 0.00 34.95 32.11 1y1s s ARG 3212CO 0.03 0.58 0.27 0.00 0.02 0.00 0.00 175.30 176.20 1y1s s ALA 3213N -0.86 -0.66 0.21 2.13 0.00 -1.26 -0.21 121.76 121.10 1y1s s ALA 3213Ca 0.28 0.67 0.07 0.00 0.00 0.00 0.00 51.96 52.98 1y1s s ALA 3213Cb -0.19 -0.36 -0.05 0.00 0.00 0.00 0.00 23.12 22.52 1y1s s ALA 3213CO 0.17 -0.15 -0.12 0.20 0.00 0.00 0.00 175.76 175.87 1y1s s GLY 3214N -0.08 1.42 -0.06 0.00 0.00 0.76 -1.21 107.32 108.15 1y1s s GLY 3214Ca -0.02 -1.67 -0.03 0.00 0.00 0.00 0.00 44.72 43.01 1y1s s GLY 3214CO 0.01 -1.74 0.11 -0.29 0.00 0.00 0.00 173.10 171.19 1y1s s MET 3215N -3.68 -0.02 0.02 2.90 0.00 -1.26 -1.26 119.30 116.00 1y1s s MET 3215Ca 0.23 0.45 0.05 0.00 0.00 0.00 0.00 55.69 56.41 1y1s s MET 3215Cb 0.01 -0.38 -0.02 0.00 0.00 0.00 0.00 34.83 34.44 1y1s s MET 3215CO 0.06 -0.30 -0.14 0.54 0.00 0.00 0.00 175.02 175.18 1y1s s VAL 3216N 2.12 1.08 -0.02 10.11 0.11 -0.03 -1.06 120.40 132.70 1y1s s VAL 3216Ca 0.03 -0.87 -0.15 0.00 -2.93 0.00 0.00 61.98 58.06 1y1s s VAL 3216Cb -0.12 -0.96 0.02 0.00 -1.53 0.00 0.00 36.38 33.79 1y1s s VAL 3216CO -0.04 0.09 0.32 0.00 -3.33 0.00 0.00 175.10 172.13 1y1s s ALA 3217N -0.69 -0.80 -0.16 1.54 0.00 -0.59 -1.54 121.76 119.51 1y1s s ALA 3217Ca 0.02 0.38 -0.08 0.00 0.00 0.00 0.00 51.96 52.29 1y1s s ALA 3217Cb -0.07 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1y1s s ALA 3217CO 0.01 -0.26 0.12 0.20 0.00 0.00 0.00 175.76 175.83 1y1s s GLY 3218N -1.23 2.07 -0.11 0.00 0.00 0.09 -0.75 107.32 107.39 1y1s s GLY 3218Ca -0.13 -0.68 -0.30 0.00 0.00 0.00 0.00 44.72 43.62 1y1s s GLY 3218CO 0.04 -0.11 1.12 0.14 0.00 0.00 0.00 173.10 174.29 1y1s s VAL 3219N -0.25 4.49 -0.03 1.40 1.01 -0.22 -1.02 120.40 125.77 1y1s s VAL 3219Ca 0.11 1.79 0.13 0.00 0.00 0.00 0.00 61.98 64.01 1y1s s VAL 3219Cb -0.12 -4.15 -0.20 0.00 0.00 0.00 0.00 36.38 31.91 1y1s s VAL 3219CO 0.01 -0.04 0.26 2.30 0.00 0.00 0.00 175.10 177.63 1y1s n ILE 3220N 4.77 0.12 -3.79 2.22 -5.35 -0.55 -0.48 119.36 116.31 1y1s n ILE 3220Ca 0.11 -0.34 -0.11 0.00 -0.27 0.00 0.00 62.75 62.14 1y1s n ILE 3220Cb 0.47 0.07 -0.08 0.00 -1.74 0.00 0.00 39.64 38.36 1y1s n ILE 3220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1y1s s VAL 3221N -2.84 0.09 -0.26 7.28 0.11 -1.24 -4.77 120.40 118.76 1y1s s VAL 3221Ca -0.05 -0.72 0.02 0.00 -2.93 0.00 0.00 61.98 58.30 1y1s s VAL 3221Cb 0.08 -0.87 0.07 0.00 -1.53 0.00 0.00 36.38 34.12 1y1s s VAL 3221CO 0.55 -0.40 -0.07 0.21 -3.33 0.00 0.00 175.10 172.07 1y1s s ASN 3222N -1.95 4.27 0.20 3.54 3.84 -1.26 -0.88 114.94 122.70 1y1s s ASN 3222Ca -0.06 -1.42 0.07 0.00 0.21 0.00 0.00 52.86 51.66 1y1s s ASN 3222Cb -0.02 -1.42 0.39 0.00 -0.55 0.00 0.00 41.25 39.66 1y1s s ASN 3222CO -0.02 -0.23 1.06 0.54 -2.79 0.00 0.00 177.10 175.65 1y1s n ARG 3223N 4.50 0.05 -0.14 0.43 5.12 -0.09 -1.86 116.66 124.68 1y1s n ARG 3223Ca -0.11 0.44 -0.29 0.00 -1.93 0.00 0.00 57.85 55.97 1y1s n ARG 3223Cb 0.43 -1.96 -0.10 0.00 -1.16 0.00 0.00 32.46 29.66 1y1s n ARG 3223CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1y1s n THR 3224N -1.72 1.53 -0.55 0.55 -2.24 -1.26 -5.01 114.28 105.58 1y1s n THR 3224Ca -0.00 -0.37 -0.30 0.00 -2.27 0.00 0.00 64.05 61.11 1y1s n THR 3224Cb 0.31 -1.87 0.23 0.00 -2.10 0.00 0.00 70.33 66.90 1y1s n THR 3224CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y1s n GLN 3225N -4.21 -2.13 -3.94 -0.78 6.02 -0.77 -5.01 117.38 106.55 1y1s n GLN 3225Ca -0.53 -0.59 -0.31 0.00 -0.01 0.00 0.00 57.00 55.56 1y1s n GLN 3225Cb 0.88 -2.03 -0.15 0.00 1.02 0.00 0.00 30.24 29.96 1y1s n GLN 3225CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1y1s s GLN 3226N -4.10 1.30 0.02 -1.09 1.11 -1.26 -4.89 119.66 110.74 1y1s s GLN 3226Ca 0.65 -1.70 -0.29 0.00 0.01 0.00 0.00 55.36 54.03 1y1s s GLN 3226Cb -0.21 -2.89 0.10 0.00 -1.01 0.00 0.00 33.01 29.00 1y1s s GLN 3226CO 0.65 -0.96 1.16 -2.00 0.01 0.00 0.00 175.29 174.15 1y1s s GLU 3227N 1.04 0.66 -0.00 2.91 2.12 -1.26 -5.17 118.70 118.99 1y1s s GLU 3227Ca 0.11 -0.35 0.07 0.00 0.36 0.00 0.00 54.97 55.15 1y1s s GLU 3227Cb -0.19 0.23 -0.02 0.00 0.26 0.00 0.00 34.13 34.42 1y1s s GLU 3227CO -0.12 -0.30 -0.21 0.42 -0.54 0.00 0.00 175.26 174.51 1y1s s ILE 3228N -2.73 1.64 -0.35 -3.70 1.09 -1.26 -5.00 121.20 110.90 1y1s s ILE 3228Ca 0.13 -0.95 -0.05 0.00 -1.10 0.00 0.00 60.65 58.68 1y1s s ILE 3228Cb 0.02 -1.38 -0.11 0.00 -1.06 0.00 0.00 42.46 39.93 1y1s s ILE 3228CO -0.02 0.41 0.78 -2.65 -0.10 0.00 0.00 174.94 173.36 1y1s n PRO 3229N 2.43 0.00 -0.08 2.79 -0.02 -1.26 -4.72 135.00 134.14 1y1s n PRO 3229Ca -0.16 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.30 1y1s n PRO 3229Cb 0.53 -0.38 -0.02 0.00 -0.02 0.00 0.00 33.50 33.61 1y1s n PRO 3229CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1y1s n ASN 3230N 2.26 -0.19 0.01 2.55 4.13 -1.26 -4.71 115.26 118.04 1y1s n ASN 3230Ca 0.23 0.38 0.00 0.00 1.68 0.00 0.00 54.58 56.87 1y1s n ASN 3230Cb 0.04 -0.07 0.00 0.00 -1.54 0.00 0.00 39.78 38.21 1y1s n ASN 3230CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1y1s n ALA 3231N -3.45 0.00 0.26 5.41 0.00 -1.26 -4.89 120.51 116.58 1y1s n ALA 3231Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1y1s n ALA 3231Cb 0.05 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.78 1y1s n ALA 3231CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1y1s h GLU 3232N 0.00 0.00 0.00 0.00 5.08 -2.01 -3.43 114.58 114.23 1y1s h GLU 3232Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1y1s h GLU 3232Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1y1s h GLU 3232CO 0.00 0.00 0.00 -2.37 -1.00 0.00 0.00 179.01 175.64 1y1s n THR 3233N -3.03 0.00 0.22 1.13 5.66 -1.26 0.53 114.28 117.53 1y1s n THR 3233Ca 0.03 0.59 0.08 0.00 -3.05 0.00 0.00 64.05 61.71 1y1s n THR 3233Cb 0.48 -0.81 0.50 0.00 -1.55 0.00 0.00 70.33 68.95 1y1s n THR 3233CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 175.07 172.26 1y1s h MET 3234N 0.00 0.00 0.17 1.09 2.86 -1.89 -2.17 114.93 114.99 1y1s h MET 3234Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1y1s h MET 3234Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1y1s h MET 3234CO 0.00 0.26 -0.08 -0.22 1.06 0.00 0.00 176.91 177.93 1y1s h LYS 3235N 0.00 -0.21 -0.12 1.72 3.64 -0.79 0.07 116.57 120.88 1y1s h LYS 3235Ca -0.00 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 1y1s h LYS 3235Cb 0.61 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1y1s h LYS 3235CO 0.03 0.20 -0.28 0.37 -2.27 0.00 0.00 179.45 177.50 1y1s h GLN 3236N -0.73 0.21 0.16 1.90 5.75 0.04 -1.86 115.11 120.58 1y1s h GLN 3236Ca -0.02 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.40 1y1s h GLN 3236Cb 0.51 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.05 1y1s h GLN 3236CO 0.04 0.48 -0.08 1.15 -2.65 0.00 0.00 178.83 177.77 1y1s h THR 3237N 0.19 0.96 -0.07 2.39 2.02 -1.38 -2.33 112.91 114.69 1y1s h THR 3237Ca 0.03 -0.59 0.02 0.00 0.77 0.00 0.00 66.41 66.65 1y1s h THR 3237Cb 0.59 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 1y1s h THR 3237CO 0.04 0.14 -0.08 -0.08 0.37 0.00 0.00 175.52 175.91 1y1s h GLU 3238N -0.50 -0.11 0.00 6.66 4.81 -0.79 -0.62 114.58 124.03 1y1s h GLU 3238Ca -0.02 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1y1s h GLU 3238Cb 0.39 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 1y1s h GLU 3238CO 0.04 -0.07 -0.04 0.66 -0.73 0.00 0.00 179.01 178.86 1y1s h SER 3239N -0.11 0.00 0.13 1.04 4.64 -1.40 -0.69 113.55 117.15 1y1s h SER 3239Ca 0.06 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1y1s h SER 3239Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1y1s h SER 3239CO -0.14 0.04 -0.06 -0.74 -0.87 0.00 0.00 176.83 175.07 1y1s h HIS 3240N 0.00 -0.16 0.00 4.77 -0.00 -0.66 -3.24 115.15 115.87 1y1s h HIS 3240Ca -0.00 -0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.30 1y1s h HIS 3240Cb 0.23 0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.68 1y1s h HIS 3240CO 0.00 0.22 -0.29 0.00 -0.00 0.00 0.00 177.93 177.85 1y1s h ALA 3241N -0.57 1.45 -0.01 5.26 0.00 -1.03 -1.72 119.26 122.64 1y1s h ALA 3241Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1y1s h ALA 3241Cb 0.44 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1y1s h ALA 3241CO 0.03 0.37 0.01 0.28 0.00 0.00 0.00 179.25 179.94 1y1s h VAL 3242N 0.00 0.70 0.21 0.00 2.07 -1.22 -1.56 116.25 116.45 1y1s h VAL 3242Ca -0.00 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.19 1y1s h VAL 3242Cb 0.54 0.99 0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1y1s h VAL 3242CO 0.04 0.00 -1.51 0.11 0.02 0.00 0.00 177.57 176.23 1y1s h LYS 3243N 0.00 0.45 0.22 1.57 1.57 -1.33 -3.08 116.57 115.96 1y1s h LYS 3243Ca 0.01 -0.77 -0.01 0.00 -1.87 0.00 0.00 60.65 58.01 1y1s h LYS 3243Cb 0.03 0.29 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 1y1s h LYS 3243CO -0.00 1.36 -0.12 0.82 -0.57 0.00 0.00 179.45 180.94 1y1s h ILE 3244N 0.12 0.74 -0.49 1.86 5.03 -1.17 -0.61 117.51 123.00 1y1s h ILE 3244Ca -0.26 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.46 1y1s h ILE 3244Cb 2.12 0.74 -0.02 0.00 -3.03 0.00 0.00 36.82 36.63 1y1s h ILE 3244CO 0.24 0.00 0.23 1.62 -0.68 0.00 0.00 178.15 179.55 1y1s h VAL 3245N -0.32 1.20 -0.89 1.67 3.04 -1.49 0.24 116.25 119.70 1y1s h VAL 3245Ca -0.02 -0.57 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 1y1s h VAL 3245Cb 0.26 0.66 -0.04 0.00 -2.01 0.00 0.00 31.29 30.16 1y1s h VAL 3245CO 0.03 0.22 0.57 0.58 -1.01 0.00 0.00 177.57 177.96 1y1s h VAL 3246N 0.65 1.24 0.00 1.51 2.07 -1.47 0.22 116.25 120.46 1y1s h VAL 3246Ca 0.17 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 1y1s h VAL 3246Cb 0.14 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 1y1s h VAL 3246CO -0.02 0.23 -0.27 -0.08 0.02 0.00 0.00 177.57 177.45 1y1s h GLU 3247N 1.21 0.00 -0.00 1.57 4.57 -0.51 -2.16 114.58 119.26 1y1s h GLU 3247Ca 0.32 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.49 1y1s h GLU 3247Cb -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 1y1s h GLU 3247CO -0.07 0.27 -0.05 0.00 -1.18 0.00 0.00 179.01 177.98 1y1s h ALA 3248N 1.73 0.01 -0.98 2.92 0.00 0.11 -3.21 119.26 119.84 1y1s h ALA 3248Ca -0.00 -0.40 0.17 0.00 0.00 0.00 0.00 54.91 54.68 1y1s h ALA 3248Cb 0.56 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.26 1y1s h ALA 3248CO 0.04 -0.07 0.61 0.00 0.00 0.00 0.00 179.25 179.82 1y1s h ALA 3249N 0.25 1.74 -1.00 0.00 0.00 -0.48 0.28 119.26 120.05 1y1s h ALA 3249Ca -0.01 0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.14 1y1s h ALA 3249Cb 0.81 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.39 1y1s h ALA 3249CO 0.01 -0.06 0.62 -0.09 0.00 0.00 0.00 179.25 179.73 1y1s h ARG 3250N 0.75 0.74 0.00 0.00 2.43 -1.40 0.32 114.38 117.23 1y1s h ARG 3250Ca 0.53 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.65 1y1s h ARG 3250Cb 0.83 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1y1s h ARG 3250CO -0.30 0.49 0.00 0.00 -1.51 0.00 0.00 179.97 178.65 1y1s h ARG 3251N 0.76 0.00 -0.66 0.20 3.08 -0.51 -3.26 114.38 114.00 1y1s h ARG 3251Ca 0.56 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.61 1y1s h ARG 3251Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.93 1y1s h ARG 3251CO -0.35 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.83 1y1s n LEU 3252N -2.57 3.86 -0.89 3.04 4.77 0.11 -5.08 117.00 120.23 1y1s n LEU 3252Ca 0.04 -2.05 0.12 0.00 -0.03 0.00 0.00 56.01 54.10 1y1s n LEU 3252Cb 0.43 -0.46 0.16 0.00 -2.33 0.00 0.00 43.42 41.22 1y1s n LEU 3252CO 0.30 0.93 0.66 0.18 -1.33 0.00 0.00 177.39 178.13