#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rxs n ASP 3005N 0.00 0.60 -4.02 -3.46 8.00 0.13 -4.93 116.55 112.87 1rxs n ASP 3005Ca 0.00 -0.37 -0.13 0.00 0.71 0.00 0.00 54.79 54.99 1rxs n ASP 3005Cb 0.00 0.24 -0.12 0.00 -0.02 0.00 0.00 41.12 41.22 1rxs n ASP 3005CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1rxs s VAL 3006N -2.91 0.44 0.18 2.53 -7.23 -1.23 -5.05 120.40 107.13 1rxs s VAL 3006Ca 0.13 -0.76 -0.10 0.00 -1.81 0.00 0.00 61.98 59.44 1rxs s VAL 3006Cb 0.18 -0.48 0.06 0.00 0.56 0.00 0.00 36.38 36.70 1rxs s VAL 3006CO 0.67 -0.23 1.64 0.15 -0.31 0.00 0.00 175.10 177.03 1rxs h PHE 3007N 5.04 1.12 0.00 2.82 3.57 -1.95 -3.33 116.94 124.21 1rxs h PHE 3007Ca -0.33 -0.18 -0.42 0.00 3.53 0.00 0.00 57.97 60.57 1rxs h PHE 3007Cb 1.20 -0.30 -0.07 0.00 2.79 0.00 0.00 35.95 39.57 1rxs h PHE 3007CO 0.57 0.99 -2.51 0.72 -2.23 0.00 0.00 178.31 175.85 1rxs n HIS 3008N -4.23 0.00 0.48 0.41 8.25 -1.26 -4.62 115.22 114.25 1rxs n HIS 3008Ca 0.03 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.61 1rxs n HIS 3008Cb 0.33 -1.00 0.46 0.00 1.12 0.00 0.00 29.99 30.89 1rxs n HIS 3008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1rxs h LEU 3009N -0.33 0.00 -1.22 2.41 3.38 -1.93 -3.44 115.31 114.18 1rxs h LEU 3009Ca -0.62 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 56.95 1rxs h LEU 3009Cb 1.81 0.00 0.10 0.00 0.09 0.00 0.00 40.66 42.66 1rxs h LEU 3009CO -0.20 0.00 -0.74 0.61 0.09 0.00 0.00 178.44 178.20 1rxs n GLY 3010N 0.58 -0.45 3.37 0.83 0.00 -1.25 -4.61 105.19 103.66 1rxs n GLY 3010Ca 0.03 0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 1rxs n GLY 3010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rxs s LEU 3011N -6.97 2.40 0.20 0.99 1.43 -1.26 -4.78 118.68 110.70 1rxs s LEU 3011Ca 0.36 -0.82 0.08 0.00 -1.03 0.00 0.00 54.13 52.72 1rxs s LEU 3011Cb -0.17 -1.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 1rxs s LEU 3011CO 0.76 0.08 -0.02 0.42 0.23 0.00 0.00 176.35 177.81 1rxs s THR 3012N -1.63 3.52 0.34 5.49 -4.23 -1.26 0.17 115.64 118.06 1rxs s THR 3012Ca 0.16 -1.62 0.10 0.00 -1.18 0.00 0.00 61.69 59.16 1rxs s THR 3012Cb -0.08 -2.80 0.33 0.00 1.34 0.00 0.00 72.50 71.29 1rxs s THR 3012CO 0.08 -0.19 1.81 0.50 -0.54 0.00 0.00 174.62 176.27 1rxs h LYS 3013N 2.50 0.63 -0.57 3.99 3.64 -1.96 0.05 116.57 124.86 1rxs h LYS 3013Ca -0.46 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.86 1rxs h LYS 3013Cb 1.22 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.87 1rxs h LYS 3013CO 0.58 0.42 0.29 -0.97 -2.27 0.00 0.00 179.45 177.49 1rxs h ASN 3014N 0.65 0.70 -0.10 4.20 -0.73 -1.95 -2.38 115.58 115.97 1rxs h ASN 3014Ca 0.54 -0.06 0.03 0.00 1.87 0.00 0.00 56.30 58.68 1rxs h ASN 3014Cb 0.99 -0.18 -0.00 0.00 0.27 0.00 0.00 38.32 39.40 1rxs h ASN 3014CO -0.30 0.59 0.08 0.44 -0.37 0.00 0.00 177.43 177.87 1rxs h ASP 3015N 0.79 0.00 1.51 1.15 3.32 -1.38 -2.13 116.42 119.67 1rxs h ASP 3015Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1rxs h ASP 3015Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1rxs h ASP 3015CO -0.03 0.00 -0.18 -0.07 -1.72 0.00 0.00 179.24 177.25 1rxs h LEU 3016N 0.00 0.00 -0.24 1.55 4.07 -1.47 -3.48 115.31 115.75 1rxs h LEU 3016Ca 0.05 -0.03 -0.45 0.00 0.08 0.00 0.00 57.88 57.53 1rxs h LEU 3016Cb 0.20 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 41.84 1rxs h LEU 3016CO -0.00 0.02 -0.68 0.00 -1.08 0.00 0.00 178.44 176.70 1rxs n GLN 3017N -2.53 -3.91 -0.64 1.13 6.02 -0.80 -0.81 117.38 115.84 1rxs n GLN 3017Ca 0.04 0.49 0.00 0.00 -0.01 0.00 0.00 57.00 57.52 1rxs n GLN 3017Cb 0.47 -5.26 0.00 0.00 1.02 0.00 0.00 30.24 26.47 1rxs n GLN 3017CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rxs n GLY 3018N -1.37 0.77 3.63 1.08 0.00 -1.26 -4.80 105.19 103.25 1rxs n GLY 3018Ca 0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 1rxs n GLY 3018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxs n ALA 3019N -0.09 0.34 -0.50 4.61 0.00 0.01 -4.93 120.51 119.95 1rxs n ALA 3019Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1rxs n ALA 3019Cb 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.34 1rxs n ALA 3019CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rxs n THR 3020N 0.33 0.00 -5.15 0.00 -2.24 -1.26 -4.24 114.28 101.71 1rxs n THR 3020Ca 0.08 -0.25 -0.30 0.00 -2.27 0.00 0.00 64.05 61.31 1rxs n THR 3020Cb 0.33 1.50 -0.16 0.00 -2.10 0.00 0.00 70.33 69.90 1rxs n THR 3020CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1rxs s LEU 3021N -0.01 2.08 -0.05 3.22 0.20 -1.26 -0.37 118.68 122.49 1rxs s LEU 3021Ca 0.00 -0.49 0.03 0.00 0.69 0.00 0.00 54.13 54.36 1rxs s LEU 3021Cb 0.00 -1.27 0.01 0.00 -0.43 0.00 0.00 46.19 44.49 1rxs s LEU 3021CO 0.00 0.29 -0.12 0.00 -0.29 0.00 0.00 176.35 176.23 1rxs s ALA 3022N -0.65 1.19 -0.11 5.97 0.00 0.43 -1.79 121.76 126.80 1rxs s ALA 3022Ca 0.10 -0.43 -0.22 0.00 0.00 0.00 0.00 51.96 51.41 1rxs s ALA 3022Cb -0.10 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 1rxs s ALA 3022CO -0.00 0.15 0.64 0.42 0.00 0.00 0.00 175.76 176.97 1rxs s ILE 3023N 0.44 5.07 -0.44 0.00 1.01 -0.21 -0.55 121.20 126.53 1rxs s ILE 3023Ca -0.10 1.29 0.03 0.00 0.00 0.00 0.00 60.65 61.87 1rxs s ILE 3023Cb -0.13 -3.97 0.12 0.00 0.01 0.00 0.00 42.46 38.49 1rxs s ILE 3023CO 0.02 0.23 0.20 0.68 0.00 0.00 0.00 174.94 176.07 1rxs s VAL 3024N 1.05 1.86 0.98 2.92 -7.23 0.19 -1.53 120.40 118.63 1rxs s VAL 3024Ca 0.33 -2.64 -0.16 0.00 -1.81 0.00 0.00 61.98 57.70 1rxs s VAL 3024Cb -0.17 -2.32 0.20 0.00 0.56 0.00 0.00 36.38 34.66 1rxs s VAL 3024CO 0.14 -0.79 1.29 -2.16 -0.31 0.00 0.00 175.10 173.27 1rxs s PRO 3025N 0.37 0.50 -0.10 4.82 0.04 -1.24 -3.15 135.00 136.23 1rxs s PRO 3025Ca 0.15 -0.33 -0.09 0.00 0.04 0.00 0.00 61.00 60.78 1rxs s PRO 3025Cb -0.23 -1.82 -0.27 0.00 0.04 0.00 0.00 34.50 32.21 1rxs s PRO 3025CO -0.04 -2.52 0.46 0.78 0.04 0.00 0.00 177.00 175.72 1rxs h GLY 3026N -1.72 0.34 -7.45 0.56 0.00 -1.84 -1.68 103.07 91.27 1rxs h GLY 3026Ca -0.45 -0.87 -0.63 0.00 0.00 0.00 0.00 47.33 45.39 1rxs h GLY 3026CO 0.40 0.76 -0.49 -0.35 0.00 0.00 0.00 176.54 176.85 1rxs s ASP 3027N -7.12 6.08 0.55 0.19 3.68 -1.26 -0.73 116.67 118.07 1rxs s ASP 3027Ca -0.21 0.07 0.33 0.00 2.13 0.00 0.00 52.55 54.88 1rxs s ASP 3027Cb 0.06 -2.12 1.49 0.00 -1.45 0.00 0.00 42.92 40.90 1rxs s ASP 3027CO 0.79 -0.00 1.84 1.55 0.13 0.00 0.00 175.17 179.47 1rxs h PRO 3028N 7.93 0.00 0.00 4.34 0.13 -1.91 -0.87 132.00 141.63 1rxs h PRO 3028Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1rxs h PRO 3028Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1rxs h PRO 3028CO 0.61 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.13 1rxs n ASP 3029N -4.11 0.68 -0.19 1.44 8.00 -1.26 -3.17 116.55 117.94 1rxs n ASP 3029Ca 0.20 0.56 0.12 0.00 0.71 0.00 0.00 54.79 56.39 1rxs n ASP 3029Cb 1.05 -0.75 0.25 0.00 -0.02 0.00 0.00 41.12 41.65 1rxs n ASP 3029CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1rxs n ARG 3030N -2.14 0.57 0.14 -1.24 5.12 -0.33 -4.41 116.66 114.37 1rxs n ARG 3030Ca 0.06 -0.37 -0.14 0.00 -1.93 0.00 0.00 57.85 55.47 1rxs n ARG 3030Cb 0.41 -1.49 -0.08 0.00 -1.16 0.00 0.00 32.46 30.14 1rxs n ARG 3030CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1rxs h VAL 3031N 0.91 0.81 -0.40 1.55 2.07 -1.60 -2.13 116.25 117.46 1rxs h VAL 3031Ca 0.00 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.29 1rxs h VAL 3031Cb 0.54 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1rxs h VAL 3031CO 0.00 0.06 0.16 -0.08 0.02 0.00 0.00 177.57 177.74 1rxs h GLU 3032N -0.46 0.33 -0.61 1.57 4.81 -1.80 -1.04 114.58 117.38 1rxs h GLU 3032Ca -0.03 -0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.28 1rxs h GLU 3032Cb 0.34 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.57 1rxs h GLU 3032CO 0.05 0.22 0.20 0.87 -0.73 0.00 0.00 179.01 179.62 1rxs h LYS 3033N 0.34 0.35 -0.28 1.92 6.56 -1.77 -0.22 116.57 123.47 1rxs h LYS 3033Ca 0.18 -0.02 -0.03 0.00 -1.06 0.00 0.00 60.65 59.72 1rxs h LYS 3033Cb 0.13 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 31.70 1rxs h LYS 3033CO -0.16 0.23 0.05 0.82 -2.06 0.00 0.00 179.45 178.34 1rxs h ILE 3034N 0.36 1.23 -0.04 1.86 2.04 -0.98 -3.04 117.51 118.94 1rxs h ILE 3034Ca 0.32 -0.76 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 1rxs h ILE 3034Cb 0.43 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1rxs h ILE 3034CO -0.34 0.25 -0.21 0.00 0.00 0.00 0.00 178.15 177.84 1rxs h ALA 3035N 0.88 1.58 0.00 1.87 0.00 -0.73 -1.65 119.26 121.20 1rxs h ALA 3035Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1rxs h ALA 3035Cb 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1rxs h ALA 3035CO 0.00 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.57 1rxs n ALA 3036N -2.49 2.00 0.23 0.00 0.00 -0.14 -1.71 120.51 118.40 1rxs n ALA 3036Ca -0.02 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.46 1rxs n ALA 3036Cb 0.29 -1.33 0.28 0.00 0.00 0.00 0.00 19.45 18.69 1rxs n ALA 3036CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1rxs h LEU 3037N 0.00 0.00 0.00 0.00 4.07 -1.35 -3.46 115.31 114.57 1rxs h LEU 3037Ca 0.00 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.79 1rxs h LEU 3037Cb 0.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.00 1rxs h LEU 3037CO 0.00 0.04 -0.05 0.23 -1.08 0.00 0.00 178.44 177.58 1rxs n MET 3038N -3.11 1.00 -3.64 1.13 2.81 -0.69 -5.11 117.12 109.50 1rxs n MET 3038Ca 0.03 -1.09 -0.30 0.00 -1.81 0.00 0.00 57.70 54.53 1rxs n MET 3038Cb 0.49 -0.01 -0.04 0.00 -0.71 0.00 0.00 33.22 32.96 1rxs n MET 3038CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1rxs s ASP 3039N -2.16 6.45 -1.33 7.83 -0.00 -0.25 -4.57 116.67 122.64 1rxs s ASP 3039Ca 0.17 0.55 -0.03 0.00 -0.00 0.00 0.00 52.55 53.23 1rxs s ASP 3039Cb -0.01 -2.07 -0.00 0.00 -0.00 0.00 0.00 42.92 40.83 1rxs s ASP 3039CO 0.11 -0.01 0.56 0.29 -0.00 0.00 0.00 175.17 176.11 1rxs n LYS 3040N -0.29 -3.40 -2.27 8.23 4.76 -1.26 0.74 118.16 124.67 1rxs n LYS 3040Ca -0.03 0.48 -0.41 0.00 -2.87 0.00 0.00 58.31 55.48 1rxs n LYS 3040Cb 0.53 -4.65 -0.03 0.00 -1.84 0.00 0.00 35.03 29.04 1rxs n LYS 3040CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1rxs s PRO 3041N -6.29 4.45 -0.08 1.97 0.04 -1.26 -4.40 135.00 129.44 1rxs s PRO 3041Ca 0.08 2.01 -0.05 0.00 0.04 0.00 0.00 61.00 63.09 1rxs s PRO 3041Cb -0.03 -3.17 0.03 0.00 0.04 0.00 0.00 34.50 31.37 1rxs s PRO 3041CO 0.86 -0.12 0.19 0.08 0.04 0.00 0.00 177.00 178.06 1rxs s VAL 3042N -0.47 -0.03 0.08 -0.36 1.01 0.20 -4.99 120.40 115.84 1rxs s VAL 3042Ca 0.52 0.11 -0.31 0.00 0.00 0.00 0.00 61.98 62.30 1rxs s VAL 3042Cb -0.36 -0.29 -0.06 0.00 0.00 0.00 0.00 36.38 35.67 1rxs s VAL 3042CO 0.42 0.05 1.24 -0.75 0.00 0.00 0.00 175.10 176.05 1rxs s LYS 3043N 0.85 4.41 -0.22 2.72 2.20 -1.26 -0.38 119.74 128.05 1rxs s LYS 3043Ca -0.06 1.84 -0.16 0.00 -0.36 0.00 0.00 55.97 57.23 1rxs s LYS 3043Cb -0.08 -3.32 -0.09 0.00 -1.51 0.00 0.00 37.83 32.83 1rxs s LYS 3043CO -0.05 -0.29 -0.29 1.28 -0.36 0.00 0.00 175.35 175.65 1rxs n LEU 3044N 3.87 1.93 -3.67 5.43 4.77 0.87 -4.90 117.00 125.30 1rxs n LEU 3044Ca 0.09 0.37 -0.08 0.00 -0.03 0.00 0.00 56.01 56.36 1rxs n LEU 3044Cb 0.45 -0.81 -0.02 0.00 -2.33 0.00 0.00 43.42 40.72 1rxs n LEU 3044CO 0.56 0.11 0.51 0.00 -1.33 0.00 0.00 177.39 177.24 1rxs s ALA 3045N -2.68 -1.47 -0.27 -1.18 0.00 -0.90 -5.00 121.76 110.25 1rxs s ALA 3045Ca -0.32 0.14 -0.00 0.00 0.00 0.00 0.00 51.96 51.78 1rxs s ALA 3045Cb 0.09 0.79 0.16 0.00 0.00 0.00 0.00 23.12 24.15 1rxs s ALA 3045CO 0.45 -0.92 0.47 0.45 0.00 0.00 0.00 175.76 176.21 1rxs s SER 3046N -2.83 -0.38 -0.01 0.00 0.15 -1.26 -0.01 113.70 109.37 1rxs s SER 3046Ca 0.07 0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.98 1rxs s SER 3046Cb -0.03 1.50 0.01 0.00 -1.71 0.00 0.00 66.02 65.79 1rxs s SER 3046CO -0.02 -0.30 -0.00 -1.00 1.20 0.00 0.00 173.24 173.12 1rxs s HIS 3047N 2.66 0.19 0.00 3.44 3.76 -0.22 -5.00 115.29 120.12 1rxs s HIS 3047Ca 0.14 0.01 0.00 0.00 -0.15 0.00 0.00 55.06 55.05 1rxs s HIS 3047Cb -0.14 -0.22 0.00 0.00 1.11 0.00 0.00 32.58 33.33 1rxs s HIS 3047CO -0.22 -0.06 0.00 0.54 -0.85 0.00 0.00 174.74 174.16 1rxs n ARG 3048N 3.57 0.00 -0.08 1.40 1.74 -1.26 0.35 116.66 122.37 1rxs n ARG 3048Ca -0.20 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 56.93 1rxs n ARG 3048Cb 0.55 0.00 0.15 0.00 -1.02 0.00 0.00 32.46 32.14 1rxs n ARG 3048CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1rxs n GLU 3049N 14.00 1.41 -3.42 5.56 0.00 -1.26 -4.75 120.64 132.18 1rxs n GLU 3049Ca 0.00 -0.64 -0.44 0.00 0.00 0.00 0.00 57.16 56.08 1rxs n GLU 3049Cb 0.00 -1.18 -0.07 0.00 0.00 0.00 0.00 31.44 30.19 1rxs n GLU 3049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1rxs s PHE 3050N -1.78 3.31 -0.14 -1.84 0.40 0.15 -4.00 117.98 114.08 1rxs s PHE 3050Ca 0.15 -1.45 -0.04 0.00 -0.60 0.00 0.00 56.93 55.00 1rxs s PHE 3050Cb 0.08 -3.55 -0.03 0.00 0.51 0.00 0.00 43.02 40.03 1rxs s PHE 3050CO 0.11 -0.97 -0.02 0.99 0.70 0.00 0.00 175.22 176.04 1rxs s THR 3051N 1.52 4.09 -0.11 0.64 2.01 -1.26 -1.06 115.64 121.46 1rxs s THR 3051Ca 0.04 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.75 1rxs s THR 3051Cb -0.27 -2.78 0.02 0.00 0.01 0.00 0.00 72.50 69.47 1rxs s THR 3051CO 0.02 0.51 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.44 1rxs s THR 3052N 0.09 1.37 0.18 -0.82 2.01 0.99 -1.92 115.64 117.54 1rxs s THR 3052Ca 0.01 -0.54 0.11 0.00 0.31 0.00 0.00 61.69 61.57 1rxs s THR 3052Cb -0.13 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 1rxs s THR 3052CO 0.02 0.42 -0.20 0.26 -0.69 0.00 0.00 174.62 174.43 1rxs s TRP 3053N 1.22 2.40 0.01 4.92 0.52 0.26 -0.09 118.94 128.19 1rxs s TRP 3053Ca -0.02 -0.32 0.06 0.00 0.02 0.00 0.00 56.10 55.84 1rxs s TRP 3053Cb -0.14 -1.20 -0.03 0.00 -1.15 0.00 0.00 33.47 30.95 1rxs s TRP 3053CO -0.05 0.48 -0.16 0.50 0.02 0.00 0.00 176.95 177.75 1rxs s ARG 3054N -2.63 2.23 0.04 4.98 3.52 0.49 0.02 118.95 127.61 1rxs s ARG 3054Ca 0.21 -0.88 0.01 0.00 -0.13 0.00 0.00 55.73 54.94 1rxs s ARG 3054Cb -0.08 -2.26 -0.00 0.00 -1.56 0.00 0.00 34.95 31.04 1rxs s ARG 3054CO 0.11 0.57 0.04 0.00 -0.81 0.00 0.00 175.30 175.21 1rxs n ALA 3055N 1.76 0.09 -2.89 6.12 0.00 0.32 -0.63 120.51 125.27 1rxs n ALA 3055Ca -0.16 -0.26 -0.22 0.00 0.00 0.00 0.00 53.44 52.80 1rxs n ALA 3055Cb 0.52 0.21 -0.15 0.00 0.00 0.00 0.00 19.45 20.03 1rxs n ALA 3055CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1rxs s GLU 3056N -2.18 1.16 -0.16 0.00 2.02 0.23 -0.89 118.70 118.88 1rxs s GLU 3056Ca 0.05 -0.41 -0.00 0.00 0.02 0.00 0.00 54.97 54.63 1rxs s GLU 3056Cb 0.00 -1.07 0.04 0.00 0.10 0.00 0.00 34.13 33.20 1rxs s GLU 3056CO 0.04 0.18 -0.06 -1.17 0.02 0.00 0.00 175.26 174.27 1rxs s LEU 3057N 0.03 1.58 -1.55 1.80 2.96 0.24 -1.09 118.68 122.64 1rxs s LEU 3057Ca -0.01 -0.61 -0.09 0.00 -0.22 0.00 0.00 54.13 53.19 1rxs s LEU 3057Cb -0.08 -0.92 0.08 0.00 0.50 0.00 0.00 46.19 45.76 1rxs s LEU 3057CO 0.01 -0.17 0.60 0.47 -1.32 0.00 0.00 176.35 175.94 1rxs n ASP 3058N 4.88 -1.86 0.00 3.68 8.00 -1.26 -1.33 116.55 128.65 1rxs n ASP 3058Ca -0.12 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.37 1rxs n ASP 3058Cb 0.48 -2.91 0.00 0.00 -0.02 0.00 0.00 41.12 38.67 1rxs n ASP 3058CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rxs n GLY 3059N -1.73 2.26 3.82 0.44 0.00 -1.26 -5.02 105.19 103.70 1rxs n GLY 3059Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 1rxs n GLY 3059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rxs s LYS 3060N -0.28 3.30 0.26 1.61 -0.14 -0.44 -5.06 119.74 118.99 1rxs s LYS 3060Ca 0.00 -0.22 -0.30 0.00 -1.36 0.00 0.00 55.97 54.10 1rxs s LYS 3060Cb 0.00 -3.07 -0.09 0.00 -1.68 0.00 0.00 37.83 32.99 1rxs s LYS 3060CO 0.00 0.75 1.29 -1.25 -0.76 0.00 0.00 175.35 175.39 1rxs s PRO 3061N -1.00 4.40 0.00 -1.68 0.04 -1.26 0.80 135.00 136.30 1rxs s PRO 3061Ca 0.15 2.10 0.01 0.00 0.04 0.00 0.00 61.00 63.29 1rxs s PRO 3061Cb -0.12 -3.14 -0.00 0.00 0.04 0.00 0.00 34.50 31.27 1rxs s PRO 3061CO 0.04 -0.18 -0.03 0.08 0.04 0.00 0.00 177.00 176.95 1rxs s VAL 3062N -0.50 0.22 -0.04 -0.36 1.01 -0.07 -4.39 120.40 116.26 1rxs s VAL 3062Ca 0.53 -0.22 -0.06 0.00 0.00 0.00 0.00 61.98 62.23 1rxs s VAL 3062Cb -0.37 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 1rxs s VAL 3062CO 0.44 -0.01 0.20 -0.63 0.00 0.00 0.00 175.10 175.11 1rxs s ILE 3063N -0.23 5.41 -0.13 2.22 -1.09 -0.74 -0.53 121.20 126.11 1rxs s ILE 3063Ca -0.01 0.11 0.03 0.00 -2.23 0.00 0.00 60.65 58.55 1rxs s ILE 3063Cb -0.02 -3.50 0.01 0.00 -1.58 0.00 0.00 42.46 37.36 1rxs s ILE 3063CO -0.00 0.46 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.26 1rxs s VAL 3064N -1.20 1.98 -0.14 2.92 1.01 0.10 -1.04 120.40 124.03 1rxs s VAL 3064Ca 0.23 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 1rxs s VAL 3064Cb -0.13 -1.75 0.07 0.00 0.00 0.00 0.00 36.38 34.57 1rxs s VAL 3064CO 0.12 0.54 0.29 0.00 0.00 0.00 0.00 175.10 176.05 1rxs s SER 3066N 2.27 7.00 -0.02 0.00 1.04 -0.81 -3.72 113.70 119.46 1rxs s SER 3066Ca -0.01 1.87 0.18 0.00 0.48 0.00 0.00 55.95 58.47 1rxs s SER 3066Cb -0.12 -2.57 -0.26 0.00 0.10 0.00 0.00 66.02 63.17 1rxs s SER 3066CO -0.09 -0.32 0.44 0.35 0.98 0.00 0.00 173.24 174.61 1rxs n THR 3067N -0.01 0.00 -3.98 2.02 -2.24 -0.63 -4.33 114.28 105.11 1rxs n THR 3067Ca 0.05 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1rxs n THR 3067Cb 0.51 0.24 -0.00 0.00 -2.10 0.00 0.00 70.33 68.98 1rxs n THR 3067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rxs n GLY 3068N 1.48 -1.85 3.69 3.38 0.00 0.09 -3.45 105.19 108.53 1rxs n GLY 3068Ca -0.02 -1.33 -0.37 0.00 0.00 0.00 0.00 46.02 44.29 1rxs n GLY 3068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rxs s ILE 3069N -0.09 5.24 0.00 -0.61 1.01 -1.26 -4.70 121.20 120.79 1rxs s ILE 3069Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 60.65 61.29 1rxs s ILE 3069Cb 0.00 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.78 1rxs s ILE 3069CO 0.00 0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.86 1rxs n GLY 3070N 3.71 2.52 0.42 6.18 0.00 -1.24 -4.65 105.19 112.13 1rxs n GLY 3070Ca -0.10 -1.87 -0.12 0.00 0.00 0.00 0.00 46.02 43.94 1rxs n GLY 3070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rxs h GLY 3071N 0.00 -0.77 0.04 -0.02 0.00 -1.84 -2.73 103.07 97.75 1rxs h GLY 3071Ca 0.00 0.64 0.08 0.00 0.00 0.00 0.00 47.33 48.06 1rxs h GLY 3071CO 0.00 -0.14 -0.19 -2.55 0.00 0.00 0.00 176.54 173.66 1rxs h PRO 3072N -0.33 -0.11 -0.28 4.80 0.11 -1.94 0.35 132.00 134.61 1rxs h PRO 3072Ca 0.12 0.01 -0.17 0.00 0.11 0.00 0.00 66.00 66.07 1rxs h PRO 3072Cb 0.58 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.71 1rxs h PRO 3072CO -0.62 -0.07 -0.49 0.66 -0.21 0.00 0.00 178.00 177.26 1rxs h SER 3073N -0.11 0.85 -0.60 -2.05 4.64 -1.79 -2.42 113.55 112.06 1rxs h SER 3073Ca 0.20 -0.43 0.11 0.00 -0.47 0.00 0.00 61.79 61.20 1rxs h SER 3073Cb 0.41 -0.24 -0.09 0.00 -0.31 0.00 0.00 62.40 62.17 1rxs h SER 3073CO -0.47 1.19 0.13 0.74 -0.87 0.00 0.00 176.83 177.55 1rxs h THR 3074N 0.61 0.64 -0.91 2.95 2.02 -1.00 -0.07 112.91 117.15 1rxs h THR 3074Ca 0.03 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 67.15 1rxs h THR 3074Cb 1.07 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 67.79 1rxs h THR 3074CO 0.11 0.05 0.60 0.77 0.37 0.00 0.00 175.52 177.41 1rxs h SER 3075N 0.26 1.00 -0.26 4.18 4.64 0.07 0.16 113.55 123.59 1rxs h SER 3075Ca 0.31 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.57 1rxs h SER 3075Cb 0.47 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1rxs h SER 3075CO -0.40 0.69 -0.04 0.40 -0.87 0.00 0.00 176.83 176.61 1rxs h ILE 3076N 1.16 1.27 -0.26 0.95 2.04 -0.61 -2.04 117.51 120.02 1rxs h ILE 3076Ca 0.36 -1.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.17 1rxs h ILE 3076Cb -0.01 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1rxs h ILE 3076CO -0.10 0.32 0.03 0.00 0.00 0.00 0.00 178.15 178.39 1rxs h ALA 3077N 0.79 0.35 -0.41 1.87 0.00 -0.32 -0.89 119.26 120.65 1rxs h ALA 3077Ca 0.07 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1rxs h ALA 3077Cb 0.49 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1rxs h ALA 3077CO 0.02 0.06 0.09 0.28 0.00 0.00 0.00 179.25 179.70 1rxs h VAL 3078N 0.25 1.23 -0.05 0.00 2.07 -0.75 0.18 116.25 119.18 1rxs h VAL 3078Ca 0.08 -0.81 0.01 0.00 0.82 0.00 0.00 66.70 66.80 1rxs h VAL 3078Cb 0.37 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1rxs h VAL 3078CO 0.01 0.28 -0.02 -0.08 0.02 0.00 0.00 177.57 177.78 1rxs h GLU 3079N 0.53 -0.02 -0.27 1.57 4.57 -1.26 0.15 114.58 119.85 1rxs h GLU 3079Ca 0.13 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.14 1rxs h GLU 3079Cb 0.33 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1rxs h GLU 3079CO 0.00 -0.01 -0.51 0.93 -1.18 0.00 0.00 179.01 178.24 1rxs h GLU 3080N -0.02 0.77 -0.96 1.92 5.08 -0.87 -0.92 114.58 119.58 1rxs h GLU 3080Ca 0.03 -0.46 0.05 0.00 -1.00 0.00 0.00 59.36 57.97 1rxs h GLU 3080Cb 0.06 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 1rxs h GLU 3080CO -0.06 1.09 0.62 -0.07 -1.00 0.00 0.00 179.01 179.59 1rxs h LEU 3081N 0.60 1.02 -0.82 1.33 3.38 -0.54 -2.18 115.31 118.10 1rxs h LEU 3081Ca 0.02 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1rxs h LEU 3081Cb 1.09 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 1rxs h LEU 3081CO 0.11 0.68 0.06 0.00 0.09 0.00 0.00 178.44 179.38 1rxs h ALA 3082N 1.41 1.02 -0.05 1.53 0.00 0.31 -1.13 119.26 122.35 1rxs h ALA 3082Ca 0.39 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1rxs h ALA 3082Cb 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1rxs h ALA 3082CO -0.14 0.62 -0.24 1.96 0.00 0.00 0.00 179.25 181.45 1rxs h GLN 3083N 0.89 0.09 -0.03 0.00 4.20 -0.76 -1.65 115.11 117.85 1rxs h GLN 3083Ca 0.18 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1rxs h GLN 3083Cb 0.44 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1rxs h GLN 3083CO 0.01 0.32 0.00 1.28 -0.67 0.00 0.00 178.83 179.78 1rxs n LEU 3084N -4.22 1.03 0.00 1.46 4.77 -0.71 -4.91 117.00 114.41 1rxs n LEU 3084Ca -0.02 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1rxs n LEU 3084Cb 0.31 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1rxs n LEU 3084CO 0.38 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1rxs n GLY 3085N 1.10 0.86 3.76 -0.72 0.00 -0.62 -4.82 105.19 104.76 1rxs n GLY 3085Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1rxs n GLY 3085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rxs s ILE 3086N -2.00 2.84 0.00 -0.61 -1.09 -0.51 -4.45 121.20 115.38 1rxs s ILE 3086Ca 0.00 0.82 0.00 0.00 -2.23 0.00 0.00 60.65 59.24 1rxs s ILE 3086Cb 0.00 -3.52 0.00 0.00 -1.58 0.00 0.00 42.46 37.36 1rxs s ILE 3086CO 0.00 0.18 0.00 0.54 -1.23 0.00 0.00 174.94 174.43 1rxs n ARG 3087N 1.16 2.86 -4.50 2.79 5.12 0.50 -4.26 116.66 120.33 1rxs n ARG 3087Ca 0.01 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.67 1rxs n ARG 3087Cb 0.42 -0.32 -0.17 0.00 -1.16 0.00 0.00 32.46 31.23 1rxs n ARG 3087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1rxs s THR 3088N -0.44 1.20 -0.19 0.55 2.01 -0.62 -0.38 115.64 117.76 1rxs s THR 3088Ca 0.00 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 61.52 1rxs s THR 3088Cb 0.00 -1.10 0.03 0.00 0.01 0.00 0.00 72.50 71.44 1rxs s THR 3088CO 0.00 0.37 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.78 1rxs s PHE 3089N 0.83 2.77 -0.33 4.92 0.08 0.26 -0.42 117.98 126.09 1rxs s PHE 3089Ca -0.11 -1.73 -0.09 0.00 0.12 0.00 0.00 56.93 55.12 1rxs s PHE 3089Cb -0.15 -1.86 0.02 0.00 -0.57 0.00 0.00 43.02 40.46 1rxs s PHE 3089CO 0.02 -0.80 0.14 -0.51 -0.10 0.00 0.00 175.22 173.96 1rxs s LEU 3090N 1.28 4.28 -0.13 -0.37 1.43 0.29 -1.22 118.68 124.25 1rxs s LEU 3090Ca 0.02 -0.86 -0.29 0.00 -1.03 0.00 0.00 54.13 51.97 1rxs s LEU 3090Cb -0.15 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 1rxs s LEU 3090CO -0.11 -0.28 0.99 -0.60 0.23 0.00 0.00 176.35 176.58 1rxs s ARG 3091N 1.52 4.39 -0.14 1.70 6.06 0.68 -0.64 118.95 132.51 1rxs s ARG 3091Ca 0.02 1.34 0.01 0.00 -2.50 0.00 0.00 55.73 54.60 1rxs s ARG 3091Cb -0.18 -3.56 -0.01 0.00 0.06 0.00 0.00 34.95 31.26 1rxs s ARG 3091CO 0.05 -0.36 -0.16 -1.50 -2.50 0.00 0.00 175.30 170.83 1rxs s ILE 3092N 2.19 2.74 0.29 4.11 1.10 -1.19 -1.32 121.20 129.12 1rxs s ILE 3092Ca 0.47 -0.76 0.01 0.00 -0.51 0.00 0.00 60.65 59.85 1rxs s ILE 3092Cb -0.18 -2.14 -0.00 0.00 0.15 0.00 0.00 42.46 40.29 1rxs s ILE 3092CO 0.16 0.52 0.35 0.61 -2.11 0.00 0.00 174.94 174.47 1rxs n GLY 3093N 3.78 2.53 3.54 1.50 0.00 -0.54 -4.21 105.19 111.79 1rxs n GLY 3093Ca -0.19 -1.66 -0.27 0.00 0.00 0.00 0.00 46.02 43.90 1rxs n GLY 3093CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rxs s THR 3094N -2.87 3.05 0.25 2.61 -4.23 -1.26 -1.53 115.64 111.67 1rxs s THR 3094Ca 0.27 -1.71 -0.19 0.00 -1.18 0.00 0.00 61.69 58.89 1rxs s THR 3094Cb -0.00 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.36 1rxs s THR 3094CO 0.19 -0.10 0.63 0.28 -0.54 0.00 0.00 174.62 175.08 1rxs s THR 3095N -1.67 0.00 -0.18 3.99 -1.32 -0.55 -4.88 115.64 111.03 1rxs s THR 3095Ca 0.24 -1.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.72 1rxs s THR 3095Cb -0.09 -1.92 0.01 0.00 -1.51 0.00 0.00 72.50 68.99 1rxs s THR 3095CO 0.14 -0.02 -0.17 -0.83 -2.21 0.00 0.00 174.62 171.54 1rxs s GLY 3096N -2.92 1.44 0.54 6.08 0.00 -1.26 -1.03 107.32 110.16 1rxs s GLY 3096Ca 0.13 -1.18 -0.19 0.00 0.00 0.00 0.00 44.72 43.48 1rxs s GLY 3096CO 0.05 0.24 1.12 0.00 0.00 0.00 0.00 173.10 174.51 1rxs s ALA 3097N 1.22 2.71 -0.12 3.20 0.00 -0.85 -2.85 121.76 125.06 1rxs s ALA 3097Ca 0.03 0.79 0.01 0.00 0.00 0.00 0.00 51.96 52.79 1rxs s ALA 3097Cb -0.14 -3.34 0.04 0.00 0.00 0.00 0.00 23.12 19.67 1rxs s ALA 3097CO -0.09 -0.72 0.99 0.44 0.00 0.00 0.00 175.76 176.38 1rxs n ILE 3098N -1.29 0.91 -4.67 0.00 -5.35 0.20 -2.11 119.36 107.05 1rxs n ILE 3098Ca 0.11 -0.96 -0.33 0.00 -0.27 0.00 0.00 62.75 61.30 1rxs n ILE 3098Cb 0.51 0.55 -0.13 0.00 -1.74 0.00 0.00 39.64 38.83 1rxs n ILE 3098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1rxs s GLN 3099N -0.92 3.04 0.48 6.28 -1.52 -1.24 -4.77 119.66 121.00 1rxs s GLN 3099Ca 0.03 -0.60 0.19 0.00 -1.95 0.00 0.00 55.36 53.03 1rxs s GLN 3099Cb 0.01 -2.62 1.19 0.00 -0.22 0.00 0.00 33.01 31.37 1rxs s GLN 3099CO 0.02 0.46 2.03 -1.00 -0.25 0.00 0.00 175.29 176.55 1rxs h PRO 3100N 5.91 0.00 0.00 2.91 0.13 -1.96 -2.78 132.00 136.21 1rxs h PRO 3100Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1rxs h PRO 3100Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1rxs h PRO 3100CO 0.55 0.15 0.00 -2.39 -0.23 0.00 0.00 178.00 176.08 1rxs n HIS 3101N -4.09 0.85 -3.03 1.56 1.44 -1.26 -4.77 115.22 105.92 1rxs n HIS 3101Ca -0.02 0.25 -0.40 0.00 -2.01 0.00 0.00 57.72 55.54 1rxs n HIS 3101Cb 0.23 -0.91 -0.05 0.00 0.12 0.00 0.00 29.99 29.38 1rxs n HIS 3101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1rxs s ILE 3102N -3.11 5.01 0.17 0.61 1.01 -1.05 -5.05 121.20 118.78 1rxs s ILE 3102Ca 0.10 1.42 0.05 0.00 0.00 0.00 0.00 60.65 62.22 1rxs s ILE 3102Cb 0.12 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1rxs s ILE 3102CO 0.57 0.17 0.16 0.20 0.00 0.00 0.00 174.94 176.04 1rxs s ASN 3103N 0.96 5.59 0.13 3.58 0.02 -1.26 -4.89 114.94 119.07 1rxs s ASN 3103Ca 0.36 -0.12 -0.34 0.00 -1.02 0.00 0.00 52.86 51.74 1rxs s ASN 3103Cb -0.17 -1.48 -0.14 0.00 0.02 0.00 0.00 41.25 39.48 1rxs s ASN 3103CO 0.15 0.06 1.55 0.52 0.02 0.00 0.00 177.10 179.40 1rxs n VAL 3104N -0.45 0.04 0.00 1.60 0.31 -1.26 -1.01 118.33 117.56 1rxs n VAL 3104Ca -0.08 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1rxs n VAL 3104Cb 0.55 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.06 1rxs n VAL 3104CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rxs n GLY 3105N 3.32 2.80 3.84 2.92 0.00 -0.13 -5.01 105.19 112.92 1rxs n GLY 3105Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1rxs n GLY 3105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rxs s ASP 3106N -1.36 3.81 -0.04 1.61 -0.00 -0.18 -4.71 116.67 115.81 1rxs s ASP 3106Ca 0.00 0.83 0.05 0.00 -0.00 0.00 0.00 52.55 53.43 1rxs s ASP 3106Cb 0.00 -1.33 -0.01 0.00 -0.00 0.00 0.00 42.92 41.59 1rxs s ASP 3106CO 0.00 -2.35 -0.18 -0.69 -0.00 0.00 0.00 175.17 171.95 1rxs s VAL 3107N -3.43 1.46 -0.14 -1.27 1.01 -0.68 -0.90 120.40 116.44 1rxs s VAL 3107Ca 0.64 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.89 1rxs s VAL 3107Cb -0.12 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 35.02 1rxs s VAL 3107CO 0.52 0.42 -0.20 -0.76 0.00 0.00 0.00 175.10 175.07 1rxs s LEU 3108N -0.09 2.21 -0.22 3.92 1.43 0.11 -0.85 118.68 125.20 1rxs s LEU 3108Ca -0.01 -0.57 -0.07 0.00 -1.03 0.00 0.00 54.13 52.46 1rxs s LEU 3108Cb -0.10 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 1rxs s LEU 3108CO 0.02 0.08 0.05 -0.69 0.23 0.00 0.00 176.35 176.03 1rxs s VAL 3109N 0.82 4.34 -0.21 -1.59 1.01 -0.49 -1.36 120.40 122.92 1rxs s VAL 3109Ca -0.07 -0.18 -0.15 0.00 0.00 0.00 0.00 61.98 61.59 1rxs s VAL 3109Cb -0.15 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 1rxs s VAL 3109CO -0.01 0.40 0.35 -0.89 0.00 0.00 0.00 175.10 174.94 1rxs s THR 3110N 1.08 5.24 0.01 3.92 2.01 -0.78 -2.00 115.64 125.12 1rxs s THR 3110Ca 0.04 0.59 0.11 0.00 0.31 0.00 0.00 61.69 62.74 1rxs s THR 3110Cb -0.14 -3.68 -0.22 0.00 0.01 0.00 0.00 72.50 68.47 1rxs s THR 3110CO 0.03 0.28 0.89 0.71 -0.69 0.00 0.00 174.62 175.83 1rxs h THR 3111N 5.02 1.15 -2.11 -0.82 1.35 -0.80 -3.41 112.91 113.29 1rxs h THR 3111Ca -0.37 -2.95 0.16 0.00 -0.55 0.00 0.00 66.41 62.70 1rxs h THR 3111Cb 1.16 2.57 -0.14 0.00 -1.73 0.00 0.00 68.15 70.01 1rxs h THR 3111CO 0.71 0.66 0.57 0.00 -0.25 0.00 0.00 175.52 177.20 1rxs s ALA 3112N -2.64 -1.86 0.02 6.62 0.00 -1.25 -1.20 121.76 121.45 1rxs s ALA 3112Ca -0.03 0.95 0.09 0.00 0.00 0.00 0.00 51.96 52.97 1rxs s ALA 3112Cb 0.09 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.54 1rxs s ALA 3112CO 0.82 -0.75 -0.26 -1.12 0.00 0.00 0.00 175.76 174.46 1rxs s SER 3113N -2.53 3.05 0.09 0.00 0.01 0.16 -1.97 113.70 112.52 1rxs s SER 3113Ca 0.07 -0.54 -0.31 0.00 1.31 0.00 0.00 55.95 56.48 1rxs s SER 3113Cb -0.01 -0.30 -0.08 0.00 0.21 0.00 0.00 66.02 65.84 1rxs s SER 3113CO -0.06 0.27 1.59 -0.69 0.41 0.00 0.00 173.24 174.76 1rxs s VAL 3114N -0.74 3.00 -0.96 3.43 1.01 0.54 -4.26 120.40 122.43 1rxs s VAL 3114Ca 0.11 0.56 -0.17 0.00 0.00 0.00 0.00 61.98 62.48 1rxs s VAL 3114Cb -0.10 -3.36 0.16 0.00 0.00 0.00 0.00 36.38 33.09 1rxs s VAL 3114CO 0.01 0.01 1.10 -0.13 0.00 0.00 0.00 175.10 176.09 1rxs s ARG 3115N 2.12 3.70 -0.51 2.72 0.52 -1.26 -1.28 118.95 124.97 1rxs s ARG 3115Ca 0.71 -2.09 0.02 0.00 -0.52 0.00 0.00 55.73 53.85 1rxs s ARG 3115Cb -0.40 -4.82 0.54 0.00 0.52 0.00 0.00 34.95 30.79 1rxs s ARG 3115CO 0.31 -1.65 1.85 1.28 0.02 0.00 0.00 175.30 177.11 1rxs n LEU 3116N 5.70 6.65 -4.63 2.53 4.77 0.54 -4.97 117.00 127.59 1rxs n LEU 3116Ca 0.24 -4.00 -0.29 0.00 -0.03 0.00 0.00 56.01 51.93 1rxs n LEU 3116Cb 0.47 -0.83 -0.09 0.00 -2.33 0.00 0.00 43.42 40.64 1rxs n LEU 3116CO 0.48 1.34 -0.26 1.51 -1.33 0.00 0.00 177.39 179.13 1rxs s ASP 3117N -1.87 3.57 -0.23 -1.43 -4.77 -1.22 -1.77 116.67 108.96 1rxs s ASP 3117Ca 0.58 -1.54 0.09 0.00 -3.30 0.00 0.00 52.55 48.39 1rxs s ASP 3117Cb 0.48 0.17 -0.20 0.00 -1.09 0.00 0.00 42.92 42.27 1rxs s ASP 3117CO 0.04 -0.72 -0.09 0.61 0.70 0.00 0.00 175.17 175.72 1rxs n GLY 3118N -1.04 -0.65 0.20 2.12 0.00 -1.26 -4.65 105.19 99.91 1rxs n GLY 3118Ca -0.10 -0.24 0.01 0.00 0.00 0.00 0.00 46.02 45.68 1rxs n GLY 3118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxs h ALA 3119N 0.46 1.29 -0.22 4.61 0.00 -1.98 -2.41 119.26 121.01 1rxs h ALA 3119Ca -0.56 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 53.98 1rxs h ALA 3119Cb 2.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 1rxs h ALA 3119CO -0.03 0.50 0.02 0.66 0.00 0.00 0.00 179.25 180.40 1rxs h SER 3120N 0.12 0.28 0.46 0.00 4.64 -1.85 0.18 113.55 117.38 1rxs h SER 3120Ca 0.01 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1rxs h SER 3120Cb 0.68 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1rxs h SER 3120CO 0.05 0.32 0.00 -0.07 -0.87 0.00 0.00 176.83 176.26 1rxs h LEU 3121N 0.31 0.00 -0.03 5.97 3.38 -1.55 -0.81 115.31 122.58 1rxs h LEU 3121Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1rxs h LEU 3121Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1rxs h LEU 3121CO 0.00 0.00 -0.01 1.41 0.09 0.00 0.00 178.44 179.93 1rxs n HIS 3122N -2.60 0.00 -0.01 1.13 8.25 0.64 -3.95 115.22 118.68 1rxs n HIS 3122Ca -0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.44 1rxs n HIS 3122Cb 0.16 -0.16 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 1rxs n HIS 3122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1rxs n PHE 3123N -1.13 0.00 -3.64 4.41 3.72 -0.40 -5.08 117.46 115.33 1rxs n PHE 3123Ca 0.18 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.43 1rxs n PHE 3123Cb 0.19 -0.09 -0.08 0.00 -0.94 0.00 0.00 39.48 38.57 1rxs n PHE 3123CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rxs s ALA 3124N -2.05 -1.32 1.02 4.37 0.00 -0.64 -5.03 121.76 118.11 1rxs s ALA 3124Ca -0.03 1.01 -0.12 0.00 0.00 0.00 0.00 51.96 52.82 1rxs s ALA 3124Cb 0.01 -0.16 0.20 0.00 0.00 0.00 0.00 23.12 23.17 1rxs s ALA 3124CO 0.06 -0.31 1.07 -1.25 0.00 0.00 0.00 175.76 175.34 1rxs s PRO 3125N -0.92 0.23 0.49 0.00 0.04 -1.26 -3.91 135.00 129.67 1rxs s PRO 3125Ca -0.10 0.83 0.18 0.00 0.04 0.00 0.00 61.00 61.96 1rxs s PRO 3125Cb -0.03 -1.69 1.23 0.00 0.04 0.00 0.00 34.50 34.05 1rxs s PRO 3125CO 0.06 -2.95 2.07 1.25 0.04 0.00 0.00 177.00 177.47 1rxs h LEU 3126N -2.06 0.00 -1.06 -3.56 5.85 -1.94 -1.97 115.31 110.56 1rxs h LEU 3126Ca -0.54 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.18 1rxs h LEU 3126Cb 1.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1rxs h LEU 3126CO 0.52 0.11 0.00 1.05 -0.34 0.00 0.00 178.44 179.78 1rxs h GLU 3127N 0.00 0.00 -6.46 1.25 9.09 -2.03 -3.43 114.58 113.01 1rxs h GLU 3127Ca -0.00 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.87 1rxs h GLU 3127Cb 0.21 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.29 1rxs h GLU 3127CO 0.01 0.00 0.42 0.12 0.05 0.00 0.00 179.01 179.61 1rxs s PHE 3128N -3.47 3.62 0.12 2.06 5.36 -0.74 -4.99 117.98 119.94 1rxs s PHE 3128Ca 0.02 1.62 -0.30 0.00 -0.96 0.00 0.00 56.93 57.31 1rxs s PHE 3128Cb 0.09 -3.19 -0.07 0.00 -0.34 0.00 0.00 43.02 39.51 1rxs s PHE 3128CO 0.42 -0.30 1.20 -1.25 -1.46 0.00 0.00 175.22 173.83 1rxs s PRO 3129N 0.83 4.46 -1.34 10.12 0.04 -1.26 -4.93 135.00 142.92 1rxs s PRO 3129Ca 0.53 1.83 -0.16 0.00 0.04 0.00 0.00 61.00 63.23 1rxs s PRO 3129Cb -0.24 -3.29 0.02 0.00 0.04 0.00 0.00 34.50 31.03 1rxs s PRO 3129CO 0.29 -0.18 2.10 0.00 0.04 0.00 0.00 177.00 179.25 1rxs n ALA 3130N 3.26 4.81 -2.80 8.56 0.00 -1.26 -4.78 120.51 128.31 1rxs n ALA 3130Ca 0.07 -3.78 -0.36 0.00 0.00 0.00 0.00 53.44 49.38 1rxs n ALA 3130Cb 0.45 -3.56 -0.07 0.00 0.00 0.00 0.00 19.45 16.27 1rxs n ALA 3130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rxs s VAL 3131N 3.84 4.97 0.66 0.00 0.11 -1.26 -0.66 120.40 128.07 1rxs s VAL 3131Ca 0.50 -0.05 -0.13 0.00 -2.93 0.00 0.00 61.98 59.37 1rxs s VAL 3131Cb 0.12 -3.16 -0.00 0.00 -1.53 0.00 0.00 36.38 31.80 1rxs s VAL 3131CO -0.03 0.57 1.07 0.00 -3.33 0.00 0.00 175.10 173.38 1rxs s ALA 3132N -1.01 2.62 0.30 1.54 0.00 -0.34 -4.64 121.76 120.22 1rxs s ALA 3132Ca 0.16 0.29 -0.29 0.00 0.00 0.00 0.00 51.96 52.12 1rxs s ALA 3132Cb -0.12 -3.23 -0.10 0.00 0.00 0.00 0.00 23.12 19.68 1rxs s ALA 3132CO 0.05 -1.14 1.14 0.34 0.00 0.00 0.00 175.76 176.15 1rxs s ASP 3133N -3.19 7.14 0.19 0.00 -1.08 -0.09 -4.95 116.67 114.68 1rxs s ASP 3133Ca 0.62 2.34 -0.07 0.00 -0.52 0.00 0.00 52.55 54.92 1rxs s ASP 3133Cb -0.16 -2.63 0.10 0.00 -1.46 0.00 0.00 42.92 38.78 1rxs s ASP 3133CO 0.46 -0.24 1.59 0.15 0.52 0.00 0.00 175.17 177.65 1rxs h PHE 3134N 3.65 1.00 -0.70 -5.34 3.04 -1.96 -1.07 116.94 115.56 1rxs h PHE 3134Ca -0.47 -0.24 -0.03 0.00 3.98 0.00 0.00 57.97 61.21 1rxs h PHE 3134Cb 1.21 -0.24 -0.03 0.00 2.56 0.00 0.00 35.95 39.46 1rxs h PHE 3134CO 0.58 1.01 0.32 0.93 -2.02 0.00 0.00 178.31 179.13 1rxs h GLU 3135N 0.76 1.03 -0.12 1.11 5.08 -1.95 -0.98 114.58 119.50 1rxs h GLU 3135Ca 0.10 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1rxs h GLU 3135Cb 0.77 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1rxs h GLU 3135CO 0.06 0.82 0.04 0.00 -1.00 0.00 0.00 179.01 178.93 1rxs h THR 3137N 0.00 1.18 -0.13 0.00 2.02 -1.14 0.14 112.91 114.98 1rxs h THR 3137Ca 0.04 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 1rxs h THR 3137Cb 0.23 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 1rxs h THR 3137CO -0.00 0.19 0.08 0.74 0.37 0.00 0.00 175.52 176.90 1rxs h THR 3138N 1.06 1.06 -0.98 3.16 2.02 -1.05 -0.17 112.91 118.01 1rxs h THR 3138Ca 0.30 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.34 1rxs h THR 3138Cb -0.08 0.92 -0.05 0.00 -1.74 0.00 0.00 68.15 67.20 1rxs h THR 3138CO -0.08 0.05 0.63 0.00 0.37 0.00 0.00 175.52 176.49 1rxs h ALA 3139N 1.02 1.25 -0.20 6.16 0.00 -0.38 -0.27 119.26 126.83 1rxs h ALA 3139Ca 0.05 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1rxs h ALA 3139Cb 0.02 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1rxs h ALA 3139CO -0.01 0.66 -0.07 -0.07 0.00 0.00 0.00 179.25 179.77 1rxs h LEU 3140N 1.34 0.41 -1.06 0.00 3.38 -0.30 -0.12 115.31 118.96 1rxs h LEU 3140Ca 0.36 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1rxs h LEU 3140Cb -0.12 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1rxs h LEU 3140CO -0.07 0.70 0.27 0.58 0.09 0.00 0.00 178.44 180.01 1rxs h VAL 3141N 0.11 1.22 0.02 1.22 2.07 -0.71 -0.85 116.25 119.33 1rxs h VAL 3141Ca 0.05 -0.69 -0.22 0.00 0.82 0.00 0.00 66.70 66.66 1rxs h VAL 3141Cb 0.54 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1rxs h VAL 3141CO 0.02 0.28 -0.96 -0.33 0.02 0.00 0.00 177.57 176.60 1rxs h GLU 3142N 0.93 0.29 -0.04 1.57 5.08 -0.88 -1.39 114.58 120.14 1rxs h GLU 3142Ca 0.22 -0.34 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1rxs h GLU 3142Cb 0.16 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1rxs h GLU 3142CO -0.02 1.06 0.00 0.00 -1.00 0.00 0.00 179.01 179.04 1rxs h ALA 3143N 0.82 0.04 -0.54 3.43 0.00 -0.79 -1.96 119.26 120.24 1rxs h ALA 3143Ca -0.07 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1rxs h ALA 3143Cb 1.61 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.36 1rxs h ALA 3143CO 0.16 -0.48 0.24 0.00 0.00 0.00 0.00 179.25 179.17 1rxs h ALA 3144N 1.03 0.69 0.00 0.00 0.00 -1.04 -0.88 119.26 119.08 1rxs h ALA 3144Ca 0.02 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1rxs h ALA 3144Cb 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1rxs h ALA 3144CO -0.03 -0.13 -0.18 -0.22 0.00 0.00 0.00 179.25 178.69 1rxs h LYS 3145N 0.46 0.00 0.00 0.00 3.64 -1.10 -1.88 116.57 117.69 1rxs h LYS 3145Ca 0.25 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.39 1rxs h LYS 3145Cb 0.22 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 1rxs h LYS 3145CO -0.21 0.18 -1.32 0.66 -2.27 0.00 0.00 179.45 176.49 1rxs h SER 3146N 0.00 0.00 0.75 4.20 4.64 -0.39 -3.31 113.55 119.44 1rxs h SER 3146Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rxs h SER 3146Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1rxs h SER 3146CO 0.02 0.99 -1.10 2.30 -0.87 0.00 0.00 176.83 178.17 1rxs n ILE 3147N -3.20 0.43 0.00 0.95 -6.64 -0.79 -5.00 119.36 105.11 1rxs n ILE 3147Ca -0.08 -0.46 0.00 0.00 -1.77 0.00 0.00 62.75 60.44 1rxs n ILE 3147Cb 0.99 -0.18 0.00 0.00 -1.44 0.00 0.00 39.64 39.01 1rxs n ILE 3147CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1rxs n GLY 3148N 1.24 0.98 3.65 3.28 0.00 -0.73 -5.10 105.19 108.51 1rxs n GLY 3148Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1rxs n GLY 3148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxs n ALA 3149N -0.84 0.44 -2.61 4.61 0.00 -1.05 -4.95 120.51 116.10 1rxs n ALA 3149Ca 0.00 -0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1rxs n ALA 3149Cb 0.00 -2.17 -0.04 0.00 0.00 0.00 0.00 19.45 17.24 1rxs n ALA 3149CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1rxs s THR 3150N -1.48 4.63 -0.01 0.00 -4.23 -1.26 -4.76 115.64 108.52 1rxs s THR 3150Ca 0.78 1.29 0.04 0.00 -1.18 0.00 0.00 61.69 62.61 1rxs s THR 3150Cb -0.40 -4.30 -0.03 0.00 1.34 0.00 0.00 72.50 69.10 1rxs s THR 3150CO 0.45 -0.45 -0.09 -0.89 -0.54 0.00 0.00 174.62 173.10 1rxs s THR 3151N 3.37 3.45 -0.07 3.99 2.01 -1.26 -1.69 115.64 125.43 1rxs s THR 3151Ca 0.38 -0.79 0.05 0.00 0.31 0.00 0.00 61.69 61.63 1rxs s THR 3151Cb -0.13 -2.46 -0.00 0.00 0.01 0.00 0.00 72.50 69.92 1rxs s THR 3151CO 0.16 0.44 -0.21 -1.00 -0.69 0.00 0.00 174.62 173.32 1rxs s HIS 3152N -0.93 2.21 -0.15 4.92 3.76 -0.03 -4.95 115.29 120.13 1rxs s HIS 3152Ca 0.15 -0.77 0.01 0.00 -0.15 0.00 0.00 55.06 54.31 1rxs s HIS 3152Cb -0.11 -1.48 0.00 0.00 1.11 0.00 0.00 32.58 32.10 1rxs s HIS 3152CO 0.05 -0.29 -0.19 0.08 -0.85 0.00 0.00 174.74 173.55 1rxs s VAL 3153N 0.16 2.34 -1.63 -0.90 1.01 -1.26 -1.40 120.40 118.72 1rxs s VAL 3153Ca -0.10 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 60.99 1rxs s VAL 3153Cb -0.15 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.27 1rxs s VAL 3153CO 0.05 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1rxs n GLY 3154N 4.08 -0.58 3.81 4.51 0.00 -0.84 -4.97 105.19 111.21 1rxs n GLY 3154Ca -0.20 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 44.76 1rxs n GLY 3154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rxs s VAL 3155N -3.23 4.70 0.00 1.61 1.01 -1.26 -0.03 120.40 123.20 1rxs s VAL 3155Ca 0.00 1.21 0.08 0.00 0.00 0.00 0.00 61.98 63.27 1rxs s VAL 3155Cb 0.00 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 1rxs s VAL 3155CO 0.00 0.46 -0.26 -0.89 0.00 0.00 0.00 175.10 174.41 1rxs s THR 3156N -1.22 2.09 -0.26 3.92 2.01 -0.83 0.23 115.64 121.57 1rxs s THR 3156Ca 0.33 -1.20 -0.15 0.00 0.31 0.00 0.00 61.69 60.97 1rxs s THR 3156Cb -0.19 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 1rxs s THR 3156CO 0.20 0.51 0.39 0.00 -0.69 0.00 0.00 174.62 175.03 1rxs s ALA 3157N -0.68 3.57 -0.35 7.40 0.00 0.36 -0.34 121.76 131.72 1rxs s ALA 3157Ca 0.11 -0.76 -0.08 0.00 0.00 0.00 0.00 51.96 51.22 1rxs s ALA 3157Cb -0.10 -2.73 0.03 0.00 0.00 0.00 0.00 23.12 20.33 1rxs s ALA 3157CO 0.00 -0.64 0.14 0.45 0.00 0.00 0.00 175.76 175.72 1rxs s SER 3158N 1.57 5.47 -0.02 0.00 0.15 -0.40 -1.51 113.70 118.96 1rxs s SER 3158Ca 0.16 -1.06 0.04 0.00 0.70 0.00 0.00 55.95 55.79 1rxs s SER 3158Cb -0.16 -1.93 -0.03 0.00 -1.71 0.00 0.00 66.02 62.19 1rxs s SER 3158CO 0.10 -0.34 -0.13 -0.55 1.20 0.00 0.00 173.24 173.51 1rxs s SER 3159N 1.47 4.13 0.21 5.45 0.15 0.28 -0.34 113.70 125.05 1rxs s SER 3159Ca -0.00 -0.23 0.24 0.00 0.70 0.00 0.00 55.95 56.67 1rxs s SER 3159Cb -0.19 -0.86 0.91 0.00 -1.71 0.00 0.00 66.02 64.17 1rxs s SER 3159CO 0.04 0.31 1.73 0.47 1.20 0.00 0.00 173.24 177.00 1rxs n ASP 3160N 1.99 0.64 -4.38 5.45 10.43 -0.73 -4.34 116.55 125.61 1rxs n ASP 3160Ca -0.17 0.62 -0.23 0.00 2.57 0.00 0.00 54.79 57.58 1rxs n ASP 3160Cb 0.52 -0.77 -0.11 0.00 1.84 0.00 0.00 41.12 42.60 1rxs n ASP 3160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1rxs s THR 3161N -3.21 2.05 -0.06 -3.53 -4.23 -1.26 -4.99 115.64 100.41 1rxs s THR 3161Ca 0.07 -2.02 0.13 0.00 -1.18 0.00 0.00 61.69 58.70 1rxs s THR 3161Cb 0.11 -1.99 -0.14 0.00 1.34 0.00 0.00 72.50 71.82 1rxs s THR 3161CO 0.46 -0.27 1.00 0.15 -0.54 0.00 0.00 174.62 175.41 1rxs h PHE 3162N 3.11 0.00 0.00 3.99 3.57 -1.97 -3.39 116.94 122.25 1rxs h PHE 3162Ca -0.43 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1rxs h PHE 3162Cb 1.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1rxs h PHE 3162CO 0.70 0.76 0.00 0.66 -2.23 0.00 0.00 178.31 178.20 1rxs n TYR 3163N -3.09 0.00 0.03 0.41 4.02 -1.26 -4.41 117.16 112.87 1rxs n TYR 3163Ca -0.07 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.83 1rxs n TYR 3163Cb 0.90 0.00 0.36 0.00 -0.02 0.00 0.00 39.34 40.57 1rxs n TYR 3163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1rxs h PRO 3164N 0.00 0.45 0.00 -0.72 0.13 -1.87 -0.45 132.00 129.54 1rxs h PRO 3164Ca 0.00 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1rxs h PRO 3164Cb 0.00 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.06 1rxs h PRO 3164CO 0.00 0.45 0.00 0.41 -0.23 0.00 0.00 178.00 178.63 1rxs n GLY 3165N -1.03 -1.36 0.97 1.56 0.00 -1.26 -0.89 105.19 103.17 1rxs n GLY 3165Ca 0.01 0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1rxs n GLY 3165CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rxs n GLN 3166N -2.18 3.11 -3.85 1.61 6.02 -0.29 -4.91 117.38 116.88 1rxs n GLN 3166Ca 0.03 -2.52 -0.26 0.00 -0.01 0.00 0.00 57.00 54.24 1rxs n GLN 3166Cb 0.27 -1.61 0.02 0.00 1.02 0.00 0.00 30.24 29.94 1rxs n GLN 3166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1rxs n GLU 3167N 0.36 -4.72 -3.19 -1.09 2.13 -0.07 -4.93 120.64 109.13 1rxs n GLU 3167Ca 0.18 0.56 -0.39 0.00 0.66 0.00 0.00 57.16 58.17 1rxs n GLU 3167Cb 0.69 -5.16 -0.05 0.00 0.27 0.00 0.00 31.44 27.19 1rxs n GLU 3167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1rxs s ARG 3168N -6.36 4.38 0.00 5.31 0.52 -0.55 -4.96 118.95 117.29 1rxs s ARG 3168Ca 0.27 0.65 0.19 0.00 -0.52 0.00 0.00 55.73 56.32 1rxs s ARG 3168Cb -0.14 -3.44 0.10 0.00 0.52 0.00 0.00 34.95 31.99 1rxs s ARG 3168CO 0.84 0.11 1.05 0.66 0.02 0.00 0.00 175.30 177.98 1rxs n TYR 3169N 3.74 0.00 -2.05 -0.53 4.01 -1.26 -4.44 117.16 116.63 1rxs n TYR 3169Ca -0.04 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.28 1rxs n TYR 3169Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 1rxs n TYR 3169CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1rxs n ASP 3170N 0.72 4.75 -3.81 7.72 5.75 -1.26 -4.26 116.55 126.15 1rxs n ASP 3170Ca 0.10 -2.99 -0.15 0.00 -0.01 0.00 0.00 54.79 51.74 1rxs n ASP 3170Cb 0.45 -1.55 -0.09 0.00 -1.03 0.00 0.00 41.12 38.90 1rxs n ASP 3170CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1rxs s THR 3171N 1.54 0.00 0.23 2.12 -4.23 -1.26 -5.00 115.64 109.04 1rxs s THR 3171Ca 0.44 -1.95 -0.06 0.00 -1.18 0.00 0.00 61.69 58.94 1rxs s THR 3171Cb 0.12 -2.49 0.20 0.00 1.34 0.00 0.00 72.50 71.66 1rxs s THR 3171CO -0.04 0.00 1.75 0.22 -0.54 0.00 0.00 174.62 176.01 1rxs h TYR 3172N 2.39 0.55 0.00 3.99 5.03 -1.99 -3.03 116.97 123.91 1rxs h TYR 3172Ca -0.31 0.03 -0.31 0.00 2.58 0.00 0.00 58.73 60.73 1rxs h TYR 3172Cb 1.24 -0.14 -0.05 0.00 1.55 0.00 0.00 36.73 39.33 1rxs h TYR 3172CO 0.94 0.13 -1.93 -1.13 -1.32 0.00 0.00 178.16 174.85 1rxs n SER 3173N -4.95 0.56 -0.90 -2.11 3.41 -1.26 -5.00 113.62 103.38 1rxs n SER 3173Ca 0.13 0.27 -0.09 0.00 -0.26 0.00 0.00 58.87 58.91 1rxs n SER 3173Cb 0.35 0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 64.62 1rxs n SER 3173CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rxs n GLY 3174N 1.61 0.55 3.14 5.00 0.00 -1.15 -5.00 105.19 109.34 1rxs n GLY 3174Ca -0.22 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 1rxs n GLY 3174CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1rxs s ARG 3175N -3.63 0.79 -0.04 1.61 1.70 -1.26 -4.94 118.95 113.17 1rxs s ARG 3175Ca 0.00 -1.32 0.02 0.00 -0.47 0.00 0.00 55.73 53.95 1rxs s ARG 3175Cb 0.00 0.01 0.02 0.00 -0.57 0.00 0.00 34.95 34.40 1rxs s ARG 3175CO 0.00 -0.10 -0.07 0.08 -1.08 0.00 0.00 175.30 174.14 1rxs s VAL 3176N -3.80 0.69 0.45 4.99 1.01 -1.26 -4.92 120.40 117.55 1rxs s VAL 3176Ca 0.13 -0.24 -0.25 0.00 0.00 0.00 0.00 61.98 61.62 1rxs s VAL 3176Cb 0.07 -0.66 -0.09 0.00 0.00 0.00 0.00 36.38 35.70 1rxs s VAL 3176CO -0.05 0.25 1.25 0.55 0.00 0.00 0.00 175.10 177.09 1rxs n VAL 3177N 3.77 2.77 -0.31 2.92 3.14 -1.26 -4.56 118.33 124.80 1rxs n VAL 3177Ca -0.23 -0.50 0.17 0.00 -2.96 0.00 0.00 64.34 60.82 1rxs n VAL 3177Cb 0.52 -1.53 0.33 0.00 -1.06 0.00 0.00 33.84 32.09 1rxs n VAL 3177CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1rxs n ARG 3178N -0.14 -0.07 -0.34 1.45 0.63 -1.26 -0.67 116.66 116.26 1rxs n ARG 3178Ca 0.08 1.34 0.05 0.00 -0.92 0.00 0.00 57.85 58.40 1rxs n ARG 3178Cb 0.41 -2.19 0.22 0.00 0.45 0.00 0.00 32.46 31.34 1rxs n ARG 3178CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1rxs h HIS 3179N 0.00 1.12 -0.01 -0.14 2.76 -2.02 -2.82 115.15 114.04 1rxs h HIS 3179Ca 0.60 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.80 1rxs h HIS 3179Cb 1.34 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 29.93 1rxs h HIS 3179CO -0.37 0.54 -0.50 1.19 -1.30 0.00 0.00 177.93 177.50 1rxs n PHE 3180N -4.53 0.00 -1.88 5.26 3.01 0.15 -4.79 117.46 114.68 1rxs n PHE 3180Ca 0.16 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.20 1rxs n PHE 3180Cb 0.25 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 39.67 1rxs n PHE 3180CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1rxs s LYS 3181N -2.53 4.13 0.00 -1.08 2.20 -0.94 -1.77 119.74 119.75 1rxs s LYS 3181Ca 0.18 2.32 0.00 0.00 -0.36 0.00 0.00 55.97 58.11 1rxs s LYS 3181Cb 0.18 -4.06 0.00 0.00 -1.51 0.00 0.00 37.83 32.44 1rxs s LYS 3181CO 0.59 -0.93 0.00 0.41 -0.36 0.00 0.00 175.35 175.06 1rxs n GLY 3182N 4.34 0.68 0.17 5.54 0.00 -1.26 -4.93 105.19 109.73 1rxs n GLY 3182Ca 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 1rxs n GLY 3182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rxs h SER 3183N 0.00 0.29 -0.63 1.61 4.64 -1.65 -3.07 113.55 114.74 1rxs h SER 3183Ca 0.00 -0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 61.12 1rxs h SER 3183Cb 0.01 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 61.99 1rxs h SER 3183CO 0.00 0.82 0.24 -0.03 -0.87 0.00 0.00 176.83 177.00 1rxs h MET 3184N 0.19 0.95 -0.63 4.77 -1.53 -1.92 -1.28 114.93 115.49 1rxs h MET 3184Ca -0.01 -0.18 -0.01 0.00 -3.44 0.00 0.00 59.70 56.07 1rxs h MET 3184Cb 1.10 -0.15 -0.03 0.00 -0.55 0.00 0.00 31.60 31.97 1rxs h MET 3184CO 0.09 0.80 0.35 1.49 0.14 0.00 0.00 176.91 179.79 1rxs h GLU 3185N 0.88 0.86 -0.04 0.39 4.81 -1.96 -1.32 114.58 118.20 1rxs h GLU 3185Ca 0.21 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1rxs h GLU 3185Cb 0.22 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1rxs h GLU 3185CO -0.02 0.63 -0.01 0.93 -0.73 0.00 0.00 179.01 179.81 1rxs h GLU 3186N 0.87 0.08 -0.63 1.92 4.39 -1.35 -1.89 114.58 117.96 1rxs h GLU 3186Ca 0.22 -0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.95 1rxs h GLU 3186Cb 0.01 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 1rxs h GLU 3186CO -0.04 0.45 0.34 -1.49 -1.16 0.00 0.00 179.01 177.11 1rxs h TRP 3187N -0.29 0.62 -0.19 4.33 -0.00 -0.96 -2.06 115.95 117.40 1rxs h TRP 3187Ca 0.01 0.02 0.05 0.00 -0.00 0.00 0.00 58.89 58.98 1rxs h TRP 3187Cb 0.42 -0.19 -0.06 0.00 -0.00 0.00 0.00 29.16 29.33 1rxs h TRP 3187CO 0.06 0.29 -0.22 1.96 -0.00 0.00 0.00 178.44 180.53 1rxs h GLN 3188N 0.63 -0.24 -0.23 0.49 4.20 -1.21 -1.50 115.11 117.25 1rxs h GLN 3188Ca 0.28 0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.05 1rxs h GLN 3188Cb 0.19 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1rxs h GLN 3188CO -0.18 -0.16 0.16 0.00 -0.67 0.00 0.00 178.83 177.98 1rxs h ALA 3189N 0.78 2.03 -0.24 3.87 0.00 -0.93 -0.23 119.26 124.54 1rxs h ALA 3189Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1rxs h ALA 3189Cb 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1rxs h ALA 3189CO -0.34 -0.07 0.00 -1.33 0.00 0.00 0.00 179.25 177.51 1rxs n MET 3190N -4.49 1.84 -0.93 0.00 2.81 -0.64 -4.91 117.12 110.79 1rxs n MET 3190Ca 0.02 -0.97 0.00 0.00 -1.81 0.00 0.00 57.70 54.93 1rxs n MET 3190Cb 0.20 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 1rxs n MET 3190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rxs n GLY 3191N 0.67 0.50 3.67 3.03 0.00 -0.10 -5.00 105.19 107.97 1rxs n GLY 3191Ca 0.09 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.66 1rxs n GLY 3191CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rxs n VAL 3192N -2.38 0.94 0.13 1.61 0.31 -0.73 -4.67 118.33 113.55 1rxs n VAL 3192Ca 0.00 -0.24 -0.23 0.00 -0.01 0.00 0.00 64.34 63.86 1rxs n VAL 3192Cb 0.08 -1.47 -0.16 0.00 -0.91 0.00 0.00 33.84 31.38 1rxs n VAL 3192CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1rxs h MET 3193N 4.22 0.48 -2.29 5.55 0.00 -0.56 -3.42 114.93 118.91 1rxs h MET 3193Ca -0.45 -0.82 0.18 0.00 0.00 0.00 0.00 59.70 58.61 1rxs h MET 3193Cb 1.28 0.31 -0.08 0.00 0.00 0.00 0.00 31.60 33.10 1rxs h MET 3193CO 0.76 1.39 0.50 0.54 0.00 0.00 0.00 176.91 180.10 1rxs s ASN 3194N -7.48 -0.17 -0.01 1.22 4.22 -1.26 -0.63 114.94 110.83 1rxs s ASN 3194Ca -0.09 -0.38 0.01 0.00 -2.14 0.00 0.00 52.86 50.26 1rxs s ASN 3194Cb 0.05 0.47 -0.04 0.00 1.28 0.00 0.00 41.25 43.01 1rxs s ASN 3194CO 0.93 -0.87 0.02 -0.31 -2.04 0.00 0.00 177.10 174.83 1rxs s TYR 3195N -3.24 3.14 0.00 1.54 1.51 -1.13 -0.49 117.35 118.68 1rxs s TYR 3195Ca 0.12 0.12 0.00 0.00 -1.01 0.00 0.00 57.07 56.31 1rxs s TYR 3195Cb -0.01 -1.70 0.00 0.00 -0.11 0.00 0.00 41.96 40.14 1rxs s TYR 3195CO 0.02 0.49 0.00 -0.85 -1.11 0.00 0.00 175.55 174.09 1rxs n GLU 3196N 1.43 0.00 0.00 -0.62 -0.00 -0.57 -4.11 120.64 116.76 1rxs n GLU 3196Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.01 1rxs n GLU 3196Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 1rxs n GLU 3196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1rxs n MET 3197N 0.00 0.65 0.00 3.44 2.81 -1.26 -0.56 117.12 122.20 1rxs n MET 3197Ca 0.00 -0.66 0.00 0.00 -1.81 0.00 0.00 57.70 55.23 1rxs n MET 3197Cb 0.00 -0.66 0.00 0.00 -0.71 0.00 0.00 33.22 31.85 1rxs n MET 3197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1rxs n GLU 3198N -0.12 3.82 -0.19 0.03 4.71 -1.26 -3.11 120.64 124.51 1rxs n GLU 3198Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.06 1rxs n GLU 3198Cb 0.36 -0.66 0.02 0.00 -1.01 0.00 0.00 31.44 30.15 1rxs n GLU 3198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1rxs h SER 3199N 0.00 0.83 -0.78 1.62 4.64 -1.95 -1.68 113.55 116.23 1rxs h SER 3199Ca 0.00 -0.24 0.11 0.00 -0.47 0.00 0.00 61.79 61.19 1rxs h SER 3199Cb 0.00 -0.22 -0.08 0.00 -0.31 0.00 0.00 62.40 61.79 1rxs h SER 3199CO 0.00 0.86 0.41 0.00 -0.87 0.00 0.00 176.83 177.22 1rxs h ALA 3200N 1.01 1.12 -0.01 5.18 0.00 -1.88 0.54 119.26 125.22 1rxs h ALA 3200Ca 0.17 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1rxs h ALA 3200Cb 0.35 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1rxs h ALA 3200CO 0.00 -0.03 -0.01 1.15 0.00 0.00 0.00 179.25 180.37 1rxs h THR 3201N 0.65 1.33 -0.04 0.00 2.02 -1.84 -2.34 112.91 112.69 1rxs h THR 3201Ca 0.40 -0.98 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 1rxs h THR 3201Cb 0.46 1.96 -0.00 0.00 -1.74 0.00 0.00 68.15 68.83 1rxs h THR 3201CO -0.30 0.26 0.02 0.25 0.37 0.00 0.00 175.52 176.12 1rxs h LEU 3202N -0.37 0.05 -0.60 2.58 5.85 -0.27 -0.12 115.31 122.42 1rxs h LEU 3202Ca 0.00 -0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.52 1rxs h LEU 3202Cb 0.42 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1rxs h LEU 3202CO 0.00 0.12 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.97 1rxs h LEU 3203N -0.03 0.93 -0.12 2.25 3.38 -0.04 -1.62 115.31 120.06 1rxs h LEU 3203Ca 0.01 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 1rxs h LEU 3203Cb 0.09 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1rxs h LEU 3203CO -0.00 1.09 -0.14 0.74 0.09 0.00 0.00 178.44 180.22 1rxs h THR 3204N 0.81 1.36 -0.03 0.22 2.02 -1.21 -0.37 112.91 115.71 1rxs h THR 3204Ca 0.11 -1.32 -0.05 0.00 0.77 0.00 0.00 66.41 65.92 1rxs h THR 3204Cb 0.73 1.97 -0.01 0.00 -1.74 0.00 0.00 68.15 69.10 1rxs h THR 3204CO 0.06 0.38 -0.21 0.00 0.37 0.00 0.00 175.52 176.12 1rxs h MET 3205N -0.10 0.05 0.00 6.66 -0.00 -0.98 -2.57 114.93 117.99 1rxs h MET 3205Ca 0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.70 59.69 1rxs h MET 3205Cb 0.68 -0.01 -0.00 0.00 -0.00 0.00 0.00 31.60 32.27 1rxs h MET 3205CO 0.03 0.26 -0.07 0.00 -0.00 0.00 0.00 176.91 177.13 1rxs h ALA 3207N -0.07 1.73 -0.54 0.00 0.00 -1.06 -0.82 119.26 118.50 1rxs h ALA 3207Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1rxs h ALA 3207Cb 0.98 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1rxs h ALA 3207CO -0.01 -0.37 0.00 -1.13 0.00 0.00 0.00 179.25 177.74 1rxs n SER 3208N -3.54 3.79 -0.49 0.00 3.41 -0.97 -4.43 113.62 111.39 1rxs n SER 3208Ca 0.02 -2.19 0.01 0.00 -0.26 0.00 0.00 58.87 56.45 1rxs n SER 3208Cb 0.39 -0.43 0.01 0.00 -0.26 0.00 0.00 64.21 63.92 1rxs n SER 3208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rxs n GLN 3209N 0.96 0.08 -2.04 4.33 6.02 -0.36 -5.01 117.38 121.35 1rxs n GLN 3209Ca 0.20 -1.11 -0.15 0.00 -0.01 0.00 0.00 57.00 55.93 1rxs n GLN 3209Cb 0.64 -0.55 -0.03 0.00 1.02 0.00 0.00 30.24 31.32 1rxs n GLN 3209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rxs n GLY 3210N -0.08 0.29 3.80 1.08 0.00 -1.08 -5.00 105.19 104.20 1rxs n GLY 3210Ca 0.01 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 1rxs n GLY 3210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rxs s LEU 3211N -4.17 3.99 -0.08 0.99 1.43 -0.88 -5.05 118.68 114.91 1rxs s LEU 3211Ca 0.00 0.25 -0.19 0.00 -1.03 0.00 0.00 54.13 53.16 1rxs s LEU 3211Cb 0.00 -2.15 -0.05 0.00 0.03 0.00 0.00 46.19 44.02 1rxs s LEU 3211CO 0.00 0.33 0.51 -0.13 0.23 0.00 0.00 176.35 177.29 1rxs s ARG 3212N -1.38 4.30 0.06 1.70 0.52 0.49 -4.03 118.95 120.60 1rxs s ARG 3212Ca 0.19 0.53 0.03 0.00 -0.52 0.00 0.00 55.73 55.96 1rxs s ARG 3212Cb -0.12 -3.40 -0.03 0.00 0.52 0.00 0.00 34.95 31.93 1rxs s ARG 3212CO 0.09 0.24 -0.09 0.00 0.02 0.00 0.00 175.30 175.56 1rxs s ALA 3213N 0.32 0.79 0.15 2.13 0.00 -1.26 0.93 121.76 124.82 1rxs s ALA 3213Ca 0.27 -0.90 -0.13 0.00 0.00 0.00 0.00 51.96 51.20 1rxs s ALA 3213Cb -0.16 0.02 0.01 0.00 0.00 0.00 0.00 23.12 22.99 1rxs s ALA 3213CO 0.12 0.01 0.37 0.20 0.00 0.00 0.00 175.76 176.46 1rxs s GLY 3214N -1.80 0.06 -0.03 0.00 0.00 -0.36 -0.92 107.32 104.28 1rxs s GLY 3214Ca -0.05 -0.43 -0.02 0.00 0.00 0.00 0.00 44.72 44.21 1rxs s GLY 3214CO 0.00 -0.52 0.07 -0.29 0.00 0.00 0.00 173.10 172.37 1rxs s MET 3215N -3.88 0.07 0.04 2.90 1.75 -1.26 -0.23 119.30 118.69 1rxs s MET 3215Ca 0.09 0.12 0.02 0.00 -1.25 0.00 0.00 55.69 54.68 1rxs s MET 3215Cb 0.02 0.01 -0.02 0.00 2.84 0.00 0.00 34.83 37.67 1rxs s MET 3215CO -0.05 -0.03 -0.08 0.54 -0.65 0.00 0.00 175.02 174.75 1rxs s VAL 3216N 0.18 0.53 -0.07 10.11 0.11 -0.43 -1.86 120.40 128.97 1rxs s VAL 3216Ca -0.01 -1.09 -0.19 0.00 -2.93 0.00 0.00 61.98 57.75 1rxs s VAL 3216Cb -0.02 -0.62 0.04 0.00 -1.53 0.00 0.00 36.38 34.25 1rxs s VAL 3216CO -0.01 -0.39 0.45 0.00 -3.33 0.00 0.00 175.10 171.82 1rxs s ALA 3217N -1.42 -1.13 0.08 1.54 0.00 -0.47 -1.47 121.76 118.88 1rxs s ALA 3217Ca -0.10 0.85 -0.10 0.00 0.00 0.00 0.00 51.96 52.60 1rxs s ALA 3217Cb -0.10 -0.17 -0.06 0.00 0.00 0.00 0.00 23.12 22.79 1rxs s ALA 3217CO 0.00 -0.28 0.41 0.20 0.00 0.00 0.00 175.76 176.10 1rxs s GLY 3218N -0.87 2.36 -0.24 0.00 0.00 -0.58 0.09 107.32 108.08 1rxs s GLY 3218Ca -0.09 -0.35 -0.25 0.00 0.00 0.00 0.00 44.72 44.03 1rxs s GLY 3218CO 0.05 -0.11 0.85 0.14 0.00 0.00 0.00 173.10 174.03 1rxs s VAL 3219N -1.38 4.82 -0.42 1.40 1.01 -0.08 -1.48 120.40 124.27 1rxs s VAL 3219Ca 0.33 1.63 0.13 0.00 0.00 0.00 0.00 61.98 64.06 1rxs s VAL 3219Cb -0.14 -4.14 -0.15 0.00 0.00 0.00 0.00 36.38 31.94 1rxs s VAL 3219CO 0.18 -0.08 0.46 2.30 0.00 0.00 0.00 175.10 177.96 1rxs n ILE 3220N 5.24 0.00 -3.69 2.22 -5.35 -0.20 -0.96 119.36 116.62 1rxs n ILE 3220Ca 0.06 -0.23 -0.12 0.00 -0.27 0.00 0.00 62.75 62.20 1rxs n ILE 3220Cb 0.47 0.77 -0.06 0.00 -1.74 0.00 0.00 39.64 39.08 1rxs n ILE 3220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1rxs s VAL 3221N -2.39 0.07 -0.16 7.28 0.11 -1.24 -4.66 120.40 119.41 1rxs s VAL 3221Ca 0.02 -0.58 -0.01 0.00 -2.93 0.00 0.00 61.98 58.48 1rxs s VAL 3221Cb 0.09 -1.03 0.04 0.00 -1.53 0.00 0.00 36.38 33.95 1rxs s VAL 3221CO 0.52 -0.32 -0.03 0.21 -3.33 0.00 0.00 175.10 172.15 1rxs s ASN 3222N -2.29 2.75 0.53 3.54 3.84 -1.26 -2.01 114.94 120.04 1rxs s ASN 3222Ca -0.02 -0.65 0.25 0.00 0.21 0.00 0.00 52.86 52.65 1rxs s ASN 3222Cb 0.00 -0.81 1.48 0.00 -0.55 0.00 0.00 41.25 41.38 1rxs s ASN 3222CO -0.06 -0.21 2.12 0.03 -2.79 0.00 0.00 177.10 176.19 1rxs h ARG 3223N 8.16 0.00 0.00 0.43 2.47 -1.76 -2.89 114.38 120.79 1rxs h ARG 3223Ca -0.22 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.31 1rxs h ARG 3223Cb 1.11 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.41 1rxs h ARG 3223CO 0.37 0.08 -0.90 1.79 0.56 0.00 0.00 179.97 181.88 1rxs h THR 3224N 0.00 1.56 -2.63 2.04 1.35 -1.86 -3.44 112.91 109.93 1rxs h THR 3224Ca -0.00 -3.17 -0.45 0.00 -0.55 0.00 0.00 66.41 62.24 1rxs h THR 3224Cb 0.20 2.75 0.06 0.00 -1.73 0.00 0.00 68.15 69.43 1rxs h THR 3224CO 0.01 0.88 0.06 -1.10 -0.25 0.00 0.00 175.52 175.12 1rxs s GLN 3225N -2.78 2.20 0.00 4.72 -0.21 -1.09 -5.06 119.66 117.43 1rxs s GLN 3225Ca 0.01 -0.79 0.00 0.00 0.02 0.00 0.00 55.36 54.60 1rxs s GLN 3225Cb 0.10 -2.38 0.00 0.00 1.00 0.00 0.00 33.01 31.73 1rxs s GLN 3225CO 0.80 -1.04 0.00 0.94 -2.12 0.00 0.00 175.29 173.87 1rxs n GLN 3226N -2.60 0.00 -3.04 2.91 7.27 -1.26 -4.87 117.38 115.78 1rxs n GLN 3226Ca 0.10 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 57.06 1rxs n GLN 3226Cb 0.60 0.00 0.01 0.00 2.41 0.00 0.00 30.24 33.26 1rxs n GLN 3226CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1rxs n GLU 3227N 0.00 -2.04 -2.13 3.69 1.02 -1.26 -4.78 120.64 115.14 1rxs n GLU 3227Ca 0.00 1.81 -0.43 0.00 -0.02 0.00 0.00 57.16 58.52 1rxs n GLU 3227Cb 0.00 -4.99 -0.02 0.00 -0.02 0.00 0.00 31.44 26.40 1rxs n GLU 3227CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1rxs s ILE 3228N -2.55 3.71 0.00 -3.67 -1.16 -1.26 -4.76 121.20 111.50 1rxs s ILE 3228Ca 0.20 0.79 0.00 0.00 -0.51 0.00 0.00 60.65 61.13 1rxs s ILE 3228Cb -0.05 -3.75 0.00 0.00 0.61 0.00 0.00 42.46 39.28 1rxs s ILE 3228CO 0.79 -0.34 0.00 -0.81 -2.81 0.00 0.00 174.94 171.77 1rxs n PRO 3229N 7.74 0.00 -3.55 3.50 -0.04 -1.26 -5.04 135.00 136.35 1rxs n PRO 3229Ca 0.19 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.54 1rxs n PRO 3229Cb 0.46 -0.23 -0.04 0.00 -0.04 0.00 0.00 33.50 33.65 1rxs n PRO 3229CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1rxs s ASN 3230N -2.04 -0.41 0.31 3.54 2.47 -1.26 -5.02 114.94 112.53 1rxs s ASN 3230Ca 0.00 0.32 0.00 0.00 0.42 0.00 0.00 52.86 53.60 1rxs s ASN 3230Cb 0.00 0.36 0.50 0.00 -1.45 0.00 0.00 41.25 40.66 1rxs s ASN 3230CO 0.00 -0.47 1.91 0.00 -3.72 0.00 0.00 177.10 174.82 1rxs h ALA 3231N 2.44 1.36 0.14 1.71 0.00 -1.99 -2.45 119.26 120.49 1rxs h ALA 3231Ca -0.21 -0.13 -0.31 0.00 0.00 0.00 0.00 54.91 54.26 1rxs h ALA 3231Cb 1.18 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1rxs h ALA 3231CO 0.32 0.49 -1.48 1.49 0.00 0.00 0.00 179.25 180.08 1rxs h GLU 3232N 0.83 0.31 -0.13 0.00 4.22 -1.99 -2.67 114.58 115.14 1rxs h GLU 3232Ca 0.20 -0.52 -0.12 0.00 0.08 0.00 0.00 59.36 59.01 1rxs h GLU 3232Cb 0.11 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1rxs h GLU 3232CO -0.02 1.20 -0.43 1.15 -2.18 0.00 0.00 179.01 178.72 1rxs h THR 3233N 0.08 1.32 -0.53 0.32 2.02 -1.95 -2.64 112.91 111.53 1rxs h THR 3233Ca -0.23 -1.59 -0.08 0.00 0.77 0.00 0.00 66.41 65.28 1rxs h THR 3233Cb 2.03 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 70.11 1rxs h THR 3233CO 0.19 0.48 0.01 0.24 0.37 0.00 0.00 175.52 176.80 1rxs h MET 3234N 0.26 0.90 -0.33 6.66 2.86 -1.50 -1.80 114.93 121.98 1rxs h MET 3234Ca 0.02 -0.25 -0.09 0.00 -2.06 0.00 0.00 59.70 57.31 1rxs h MET 3234Cb 0.87 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 1rxs h MET 3234CO 0.07 0.89 -0.17 -0.22 1.06 0.00 0.00 176.91 178.54 1rxs h LYS 3235N 0.83 0.60 0.15 1.72 3.11 -1.29 -2.75 116.57 118.96 1rxs h LYS 3235Ca 0.16 -0.21 -0.31 0.00 -2.81 0.00 0.00 60.65 57.48 1rxs h LYS 3235Cb 0.48 -0.05 0.01 0.00 -1.00 0.00 0.00 32.23 31.67 1rxs h LYS 3235CO 0.02 0.75 -1.47 0.37 -2.81 0.00 0.00 179.45 176.31 1rxs h GLN 3236N 0.54 0.33 -0.57 1.90 4.15 -1.34 -2.84 115.11 117.29 1rxs h GLN 3236Ca 0.09 -0.56 -0.07 0.00 0.77 0.00 0.00 58.65 58.88 1rxs h GLN 3236Cb 0.61 0.21 -0.02 0.00 0.21 0.00 0.00 27.48 28.48 1rxs h GLN 3236CO 0.04 1.23 0.08 1.15 -1.93 0.00 0.00 178.83 179.40 1rxs h THR 3237N 0.09 1.24 -0.44 2.39 2.02 -1.39 -2.39 112.91 114.43 1rxs h THR 3237Ca -0.23 -0.95 -0.02 0.00 0.77 0.00 0.00 66.41 65.98 1rxs h THR 3237Cb 2.04 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 69.16 1rxs h THR 3237CO 0.20 0.35 0.18 -0.08 0.37 0.00 0.00 175.52 176.53 1rxs h GLU 3238N 0.86 0.65 -0.61 6.66 4.81 -1.51 -2.38 114.58 123.07 1rxs h GLU 3238Ca 0.18 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1rxs h GLU 3238Cb 0.39 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 1rxs h GLU 3238CO 0.01 0.59 0.28 0.77 -0.73 0.00 0.00 179.01 179.93 1rxs h SER 3239N 0.56 0.78 0.59 1.04 0.02 -1.33 -1.94 113.55 113.28 1rxs h SER 3239Ca 0.15 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1rxs h SER 3239Cb 0.18 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1rxs h SER 3239CO -0.01 0.67 -0.41 -0.74 -1.14 0.00 0.00 176.83 175.20 1rxs h HIS 3240N 0.86 -1.10 -0.49 3.45 6.17 -1.20 -0.90 115.15 121.94 1rxs h HIS 3240Ca 0.21 -0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.32 1rxs h HIS 3240Cb 0.11 0.40 -0.03 0.00 2.52 0.00 0.00 27.41 30.42 1rxs h HIS 3240CO 0.01 -0.60 0.32 0.00 0.71 0.00 0.00 177.93 178.37 1rxs h ALA 3241N -0.69 1.78 -0.15 5.26 0.00 -1.32 -2.00 119.26 122.14 1rxs h ALA 3241Ca -0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1rxs h ALA 3241Cb 0.80 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1rxs h ALA 3241CO 0.04 0.17 -0.07 0.28 0.00 0.00 0.00 179.25 179.67 1rxs h VAL 3242N 0.55 1.31 -0.99 0.00 2.07 -1.10 -1.32 116.25 116.77 1rxs h VAL 3242Ca 0.20 -1.11 0.18 0.00 0.82 0.00 0.00 66.70 66.79 1rxs h VAL 3242Cb 0.11 1.73 -0.10 0.00 -1.52 0.00 0.00 31.29 31.50 1rxs h VAL 3242CO -0.05 0.33 0.59 0.50 0.02 0.00 0.00 177.57 178.96 1rxs h LYS 3243N -0.01 0.73 0.03 1.57 3.64 -0.88 -0.88 116.57 120.77 1rxs h LYS 3243Ca 0.03 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1rxs h LYS 3243Cb 0.54 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1rxs h LYS 3243CO 0.02 0.48 -0.01 0.82 -2.27 0.00 0.00 179.45 178.49 1rxs h ILE 3244N 0.75 1.23 -0.82 2.00 2.04 -0.93 -2.23 117.51 119.56 1rxs h ILE 3244Ca 0.56 -0.83 0.01 0.00 1.00 0.00 0.00 64.86 65.61 1rxs h ILE 3244Cb 0.86 1.79 -0.04 0.00 -0.74 0.00 0.00 36.82 38.68 1rxs h ILE 3244CO -0.38 0.21 0.54 1.62 0.00 0.00 0.00 178.15 180.15 1rxs h VAL 3245N -0.40 1.19 -0.14 1.67 3.04 -0.47 0.17 116.25 121.31 1rxs h VAL 3245Ca -0.00 -0.37 -0.04 0.00 -1.01 0.00 0.00 66.70 65.27 1rxs h VAL 3245Cb 0.38 0.01 -0.00 0.00 -2.01 0.00 0.00 31.29 29.66 1rxs h VAL 3245CO 0.01 0.20 -0.07 0.58 -1.01 0.00 0.00 177.57 177.28 1rxs h VAL 3246N 1.09 1.31 -0.92 1.51 2.07 -1.20 0.15 116.25 120.27 1rxs h VAL 3246Ca 0.31 -1.10 0.03 0.00 0.82 0.00 0.00 66.70 66.76 1rxs h VAL 3246Cb -0.09 1.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 1rxs h VAL 3246CO -0.07 0.32 0.61 -0.08 0.02 0.00 0.00 177.57 178.37 1rxs h GLU 3247N -0.03 1.15 -0.56 1.57 4.57 -1.00 -0.54 114.58 119.74 1rxs h GLU 3247Ca 0.03 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1rxs h GLU 3247Cb 0.53 -0.26 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 1rxs h GLU 3247CO 0.02 0.76 0.27 0.00 -1.18 0.00 0.00 179.01 178.88 1rxs h ALA 3248N 1.45 0.72 -0.78 2.92 0.00 -0.39 -2.79 119.26 120.39 1rxs h ALA 3248Ca 0.36 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.24 1rxs h ALA 3248Cb -0.03 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.47 1rxs h ALA 3248CO -0.10 0.28 0.43 0.00 0.00 0.00 0.00 179.25 179.86 1rxs h ALA 3249N 1.11 1.11 -0.73 0.00 0.00 0.83 -0.69 119.26 120.88 1rxs h ALA 3249Ca 0.19 0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.29 1rxs h ALA 3249Cb 0.11 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 17.69 1rxs h ALA 3249CO -0.02 0.05 0.20 0.00 0.00 0.00 0.00 179.25 179.48 1rxs h ARG 3250N 0.73 0.30 0.00 0.00 2.47 -1.01 -1.15 114.38 115.72 1rxs h ARG 3250Ca 0.38 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.08 1rxs h ARG 3250Cb 0.36 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1rxs h ARG 3250CO -0.25 0.20 0.00 0.00 0.56 0.00 0.00 179.97 180.48 1rxs h ARG 3251N 0.31 0.00 -0.23 0.04 3.08 -1.01 -3.16 114.38 113.41 1rxs h ARG 3251Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 1rxs h ARG 3251Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1rxs h ARG 3251CO -0.47 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.71 1rxs n LEU 3252N -2.60 3.23 0.00 3.04 4.77 -0.46 -5.06 117.00 119.93 1rxs n LEU 3252Ca 0.03 -1.28 0.14 0.00 -0.03 0.00 0.00 56.01 54.87 1rxs n LEU 3252Cb 0.34 -0.14 0.84 0.00 -2.33 0.00 0.00 43.42 42.13 1rxs n LEU 3252CO 0.26 0.63 1.01 0.18 -1.33 0.00 0.00 177.39 178.14