#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rj3 h ASP 3005N 0.00 -1.11 -3.76 4.04 3.45 -1.86 -3.45 116.42 113.73 2rj3 h ASP 3005Ca 0.00 0.06 -0.49 0.00 0.43 0.00 0.00 57.03 57.03 2rj3 h ASP 3005Cb 0.00 0.32 -0.02 0.00 -0.56 0.00 0.00 39.33 39.07 2rj3 h ASP 3005CO 0.00 -0.69 0.30 0.68 -1.57 0.00 0.00 179.24 177.97 2rj3 s VAL 3006N -5.61 4.22 0.28 -1.35 -7.23 -1.16 -4.96 120.40 104.58 2rj3 s VAL 3006Ca -0.17 1.85 0.04 0.00 -1.81 0.00 0.00 61.98 61.89 2rj3 s VAL 3006Cb 0.03 -4.12 0.04 0.00 0.56 0.00 0.00 36.38 32.88 2rj3 s VAL 3006CO 0.53 0.32 1.70 0.15 -0.31 0.00 0.00 175.10 177.49 2rj3 h PHE 3007N 3.68 0.40 0.00 2.82 3.57 -1.94 -3.10 116.94 122.37 2rj3 h PHE 3007Ca -0.46 -0.10 -0.36 0.00 3.53 0.00 0.00 57.97 60.57 2rj3 h PHE 3007Cb 1.20 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.79 2rj3 h PHE 3007CO 0.62 0.66 -2.29 0.72 -2.23 0.00 0.00 178.31 175.80 2rj3 n HIS 3008N -4.06 0.00 0.17 0.41 8.25 -1.26 -4.65 115.22 114.09 2rj3 n HIS 3008Ca -0.01 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.49 2rj3 n HIS 3008Cb 0.46 -0.85 0.24 0.00 1.12 0.00 0.00 29.99 30.97 2rj3 n HIS 3008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2rj3 h LEU 3009N -0.43 0.00 -1.46 2.41 4.07 -1.93 -3.43 115.31 114.54 2rj3 h LEU 3009Ca -0.55 0.00 -0.29 0.00 0.08 0.00 0.00 57.88 57.13 2rj3 h LEU 3009Cb 1.64 0.00 0.13 0.00 1.08 0.00 0.00 40.66 43.51 2rj3 h LEU 3009CO -0.22 0.44 -0.61 0.61 -1.08 0.00 0.00 178.44 177.58 2rj3 n GLY 3010N 0.49 -0.23 3.34 0.83 0.00 -1.17 -4.66 105.19 103.79 2rj3 n GLY 3010Ca 0.00 0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 2rj3 n GLY 3010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rj3 s LEU 3011N -5.74 2.51 0.30 0.99 1.43 -1.26 -3.88 118.68 113.03 2rj3 s LEU 3011Ca 0.15 -0.95 0.09 0.00 -1.03 0.00 0.00 54.13 52.39 2rj3 s LEU 3011Cb -0.06 -0.74 -0.06 0.00 0.03 0.00 0.00 46.19 45.35 2rj3 s LEU 3011CO 0.60 -0.11 -0.12 0.42 0.23 0.00 0.00 176.35 177.37 2rj3 s THR 3012N -2.58 2.14 0.30 5.49 -4.23 -1.26 -2.72 115.64 112.78 2rj3 s THR 3012Ca 0.20 -2.24 0.05 0.00 -1.18 0.00 0.00 61.69 58.52 2rj3 s THR 3012Cb -0.03 -2.46 0.30 0.00 1.34 0.00 0.00 72.50 71.64 2rj3 s THR 3012CO 0.07 -0.31 1.70 0.11 -0.54 0.00 0.00 174.62 175.65 2rj3 h LYS 3013N 2.18 0.40 -0.58 3.99 1.79 -1.95 -2.58 116.57 119.83 2rj3 h LYS 3013Ca -0.41 -0.02 -0.10 0.00 -2.18 0.00 0.00 60.65 57.94 2rj3 h LYS 3013Cb 1.25 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.78 2rj3 h LYS 3013CO 0.66 0.27 -0.02 -0.97 -1.08 0.00 0.00 179.45 178.31 2rj3 h ASN 3014N 0.41 1.00 -0.44 0.86 -0.73 -1.95 -2.83 115.58 111.89 2rj3 h ASN 3014Ca 0.58 -0.29 0.05 0.00 1.87 0.00 0.00 56.30 58.52 2rj3 h ASN 3014Cb 1.13 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 39.43 2rj3 h ASN 3014CO -0.53 1.06 0.30 0.44 -0.37 0.00 0.00 177.43 178.33 2rj3 h ASP 3015N 0.93 0.34 0.77 1.15 3.45 -1.87 -2.15 116.42 119.04 2rj3 h ASP 3015Ca 0.16 -0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.51 2rj3 h ASP 3015Cb 0.56 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 39.24 2rj3 h ASP 3015CO 0.03 0.22 -0.55 -0.07 -1.57 0.00 0.00 179.24 177.30 2rj3 h LEU 3016N 0.39 0.00 -0.33 1.55 4.07 -1.51 -3.48 115.31 116.00 2rj3 h LEU 3016Ca 0.19 0.00 -0.30 0.00 0.08 0.00 0.00 57.88 57.85 2rj3 h LEU 3016Cb 0.27 0.00 0.08 0.00 1.08 0.00 0.00 40.66 42.09 2rj3 h LEU 3016CO -0.05 0.55 -0.49 1.67 -1.08 0.00 0.00 178.44 179.05 2rj3 n GLN 3017N -3.64 -5.13 -1.90 1.13 -0.06 -0.81 -2.58 117.38 104.39 2rj3 n GLN 3017Ca -0.01 0.64 -0.10 0.00 -2.00 0.00 0.00 57.00 55.53 2rj3 n GLN 3017Cb 0.61 -5.05 -0.02 0.00 -4.06 0.00 0.00 30.24 21.72 2rj3 n GLN 3017CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2rj3 n GLY 3018N -1.52 0.35 3.77 1.69 0.00 -1.26 -4.74 105.19 103.47 2rj3 n GLY 3018Ca -0.03 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 2rj3 n GLY 3018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rj3 s ALA 3019N -2.48 3.45 -0.06 4.61 0.00 -1.06 -4.84 121.76 121.37 2rj3 s ALA 3019Ca 0.00 1.11 0.11 0.00 0.00 0.00 0.00 51.96 53.18 2rj3 s ALA 3019Cb 0.00 -3.42 -0.16 0.00 0.00 0.00 0.00 23.12 19.55 2rj3 s ALA 3019CO 0.00 -0.45 0.14 1.04 0.00 0.00 0.00 175.76 176.49 2rj3 n GLN 3020N 0.92 1.31 -4.68 0.00 1.13 -1.26 -4.18 117.38 110.62 2rj3 n GLN 3020Ca -0.00 -0.06 -0.31 0.00 -1.94 0.00 0.00 57.00 54.69 2rj3 n GLN 3020Cb 0.43 -1.28 -0.12 0.00 0.11 0.00 0.00 30.24 29.38 2rj3 n GLN 3020CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2rj3 s LEU 3021N -4.31 2.73 -0.01 1.08 0.20 -1.26 -0.37 118.68 116.73 2rj3 s LEU 3021Ca -0.05 -0.33 0.03 0.00 0.69 0.00 0.00 54.13 54.47 2rj3 s LEU 3021Cb 0.05 -1.58 -0.00 0.00 -0.43 0.00 0.00 46.19 44.23 2rj3 s LEU 3021CO 0.46 0.28 -0.09 0.00 -0.29 0.00 0.00 176.35 176.72 2rj3 s ALA 3022N -0.89 0.77 -0.22 5.97 0.00 -0.14 -1.91 121.76 125.34 2rj3 s ALA 3022Ca 0.14 -0.35 -0.13 0.00 0.00 0.00 0.00 51.96 51.63 2rj3 s ALA 3022Cb -0.11 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 2rj3 s ALA 3022CO 0.05 0.16 0.27 0.42 0.00 0.00 0.00 175.76 176.66 2rj3 s ILE 3023N -0.03 5.28 -0.53 0.00 1.01 0.62 -1.21 121.20 126.34 2rj3 s ILE 3023Ca 0.01 0.42 0.04 0.00 0.00 0.00 0.00 60.65 61.12 2rj3 s ILE 3023Cb -0.06 -3.61 0.13 0.00 0.01 0.00 0.00 42.46 38.94 2rj3 s ILE 3023CO -0.00 0.30 0.28 0.68 0.00 0.00 0.00 174.94 176.20 2rj3 s VAL 3024N 1.20 2.67 0.74 2.92 -7.23 0.55 -1.19 120.40 120.06 2rj3 s VAL 3024Ca 0.13 -3.35 -0.12 0.00 -1.81 0.00 0.00 61.98 56.84 2rj3 s VAL 3024Cb -0.14 -2.84 0.03 0.00 0.56 0.00 0.00 36.38 33.99 2rj3 s VAL 3024CO 0.06 -0.81 1.12 -2.16 -0.31 0.00 0.00 175.10 173.00 2rj3 s PRO 3025N -0.33 2.58 0.08 4.82 0.04 -1.25 -3.40 135.00 137.54 2rj3 s PRO 3025Ca 0.17 0.37 0.02 0.00 0.04 0.00 0.00 61.00 61.61 2rj3 s PRO 3025Cb -0.25 -2.00 -0.24 0.00 0.04 0.00 0.00 34.50 32.05 2rj3 s PRO 3025CO -0.01 -1.21 1.14 0.78 0.04 0.00 0.00 177.00 177.74 2rj3 h GLY 3026N -0.78 0.14 -6.75 0.56 0.00 -1.84 -1.51 103.07 92.89 2rj3 h GLY 3026Ca -0.45 -0.35 -0.61 0.00 0.00 0.00 0.00 47.33 45.91 2rj3 h GLY 3026CO 0.64 0.31 -0.15 -0.35 0.00 0.00 0.00 176.54 176.99 2rj3 s ASP 3027N -6.84 6.39 0.55 0.19 -1.08 -1.26 -2.25 116.67 112.36 2rj3 s ASP 3027Ca -0.02 0.46 0.28 0.00 -0.52 0.00 0.00 52.55 52.74 2rj3 s ASP 3027Cb 0.08 -2.24 1.45 0.00 -1.46 0.00 0.00 42.92 40.75 2rj3 s ASP 3027CO 0.85 -0.17 1.96 -0.65 0.52 0.00 0.00 175.17 177.68 2rj3 h PRO 3028N 7.77 0.00 0.00 4.34 0.11 -1.88 -1.78 132.00 140.56 2rj3 h PRO 3028Ca -0.33 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.72 2rj3 h PRO 3028Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2rj3 h PRO 3028CO 0.70 0.00 -0.32 0.93 -0.21 0.00 0.00 178.00 179.10 2rj3 h GLU 3029N 0.00 0.00 0.00 1.05 5.08 -1.97 -3.16 114.58 115.58 2rj3 h GLU 3029Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2rj3 h GLU 3029Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2rj3 h GLU 3029CO -0.00 0.32 -0.25 -0.09 -1.00 0.00 0.00 179.01 177.98 2rj3 h ARG 3030N 0.00 0.00 0.19 2.33 2.43 -1.74 -3.37 114.38 114.22 2rj3 h ARG 3030Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2rj3 h ARG 3030Cb 0.96 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 2rj3 h ARG 3030CO 0.04 0.00 -0.19 0.28 -1.51 0.00 0.00 179.97 178.59 2rj3 h VAL 3031N 0.00 0.58 -0.61 0.20 2.07 -1.56 -2.05 116.25 114.88 2rj3 h VAL 3031Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 2rj3 h VAL 3031Cb 0.85 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 2rj3 h VAL 3031CO 0.00 0.00 0.34 -0.08 0.02 0.00 0.00 177.57 177.85 2rj3 h GLU 3032N -0.42 0.62 -0.93 1.57 4.57 -1.77 -2.24 114.58 115.99 2rj3 h GLU 3032Ca 0.00 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.16 2rj3 h GLU 3032Cb 0.39 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 28.79 2rj3 h GLU 3032CO -0.05 0.41 0.61 0.87 -1.18 0.00 0.00 179.01 179.68 2rj3 h LYS 3033N 0.64 1.20 -0.12 1.92 1.57 -1.65 -0.81 116.57 119.32 2rj3 h LYS 3033Ca 0.27 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.90 2rj3 h LYS 3033Cb 0.14 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.18 2rj3 h LYS 3033CO -0.16 0.79 -0.23 0.82 -0.57 0.00 0.00 179.45 180.11 2rj3 h ILE 3034N 1.23 1.38 -0.20 1.86 2.04 -1.18 -3.26 117.51 119.38 2rj3 h ILE 3034Ca 0.35 -1.50 -0.05 0.00 1.00 0.00 0.00 64.86 64.66 2rj3 h ILE 3034Cb -0.10 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 2rj3 h ILE 3034CO -0.09 0.44 -0.09 0.00 0.00 0.00 0.00 178.15 178.41 2rj3 h ALA 3035N 0.53 1.49 0.00 1.87 0.00 -1.15 -2.62 119.26 119.38 2rj3 h ALA 3035Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2rj3 h ALA 3035Cb 0.81 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2rj3 h ALA 3035CO 0.05 0.36 -0.05 0.00 0.00 0.00 0.00 179.25 179.61 2rj3 h ALA 3036N 1.62 1.14 0.00 0.00 0.00 -1.19 -2.01 119.26 118.82 2rj3 h ALA 3036Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2rj3 h ALA 3036Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2rj3 h ALA 3036CO 0.02 0.06 0.00 -0.11 0.00 0.00 0.00 179.25 179.22 2rj3 n LEU 3037N -3.35 0.46 -4.90 0.00 0.00 -0.99 -4.85 117.00 103.38 2rj3 n LEU 3037Ca -0.02 0.55 -0.25 0.00 0.00 0.00 0.00 56.01 56.29 2rj3 n LEU 3037Cb 0.20 -0.40 -0.01 0.00 0.00 0.00 0.00 43.42 43.21 2rj3 n LEU 3037CO 0.26 -0.11 0.05 -0.04 0.00 0.00 0.00 177.39 177.55 2rj3 s MET 3038N -3.06 2.30 0.33 1.96 -1.94 -0.76 -5.12 119.30 113.01 2rj3 s MET 3038Ca 0.12 -1.91 -0.15 0.00 -1.71 0.00 0.00 55.69 52.03 2rj3 s MET 3038Cb 0.15 -2.17 -0.09 0.00 2.01 0.00 0.00 34.83 34.73 2rj3 s MET 3038CO 0.56 -0.54 0.75 -0.51 -0.01 0.00 0.00 175.02 175.27 2rj3 s ASP 3039N -4.26 6.79 -1.36 3.03 -0.00 -0.60 -4.39 116.67 115.88 2rj3 s ASP 3039Ca 0.39 1.32 -0.04 0.00 -0.00 0.00 0.00 52.55 54.21 2rj3 s ASP 3039Cb -0.02 -2.39 -0.00 0.00 -0.00 0.00 0.00 42.92 40.51 2rj3 s ASP 3039CO 0.23 -0.22 0.49 0.29 -0.00 0.00 0.00 175.17 175.97 2rj3 n LYS 3040N -0.38 -3.07 -2.24 8.23 5.02 -1.26 -0.22 118.16 124.23 2rj3 n LYS 3040Ca 0.04 0.42 -0.42 0.00 -2.02 0.00 0.00 58.31 56.33 2rj3 n LYS 3040Cb 0.53 -4.48 -0.03 0.00 -0.02 0.00 0.00 35.03 31.03 2rj3 n LYS 3040CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2rj3 s PRO 3041N -6.45 4.33 -0.02 1.97 0.04 -1.26 -4.34 135.00 129.27 2rj3 s PRO 3041Ca 0.07 1.97 -0.00 0.00 0.04 0.00 0.00 61.00 63.08 2rj3 s PRO 3041Cb -0.03 -3.38 0.03 0.00 0.04 0.00 0.00 34.50 31.16 2rj3 s PRO 3041CO 0.88 -0.45 0.04 0.08 0.04 0.00 0.00 177.00 177.59 2rj3 s VAL 3042N 1.55 -0.07 0.34 -0.36 1.01 -0.18 -5.00 120.40 117.70 2rj3 s VAL 3042Ca 0.63 0.27 -0.28 0.00 0.00 0.00 0.00 61.98 62.60 2rj3 s VAL 3042Cb -0.33 -0.10 -0.10 0.00 0.00 0.00 0.00 36.38 35.85 2rj3 s VAL 3042CO 0.29 0.11 1.24 -0.75 0.00 0.00 0.00 175.10 175.99 2rj3 s LYS 3043N 1.33 4.32 -0.08 2.72 2.20 -1.26 -1.01 119.74 127.96 2rj3 s LYS 3043Ca -0.06 2.07 -0.06 0.00 -0.36 0.00 0.00 55.97 57.56 2rj3 s LYS 3043Cb -0.13 -2.99 -0.04 0.00 -1.51 0.00 0.00 37.83 33.16 2rj3 s LYS 3043CO -0.03 -0.17 -0.14 1.28 -0.36 0.00 0.00 175.35 175.93 2rj3 n LEU 3044N 0.67 1.03 -3.75 5.43 4.77 -0.40 -4.89 117.00 119.86 2rj3 n LEU 3044Ca 0.01 0.17 -0.09 0.00 -0.03 0.00 0.00 56.01 56.06 2rj3 n LEU 3044Cb 0.43 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 2rj3 n LEU 3044CO 0.56 -0.06 0.33 0.00 -1.33 0.00 0.00 177.39 176.89 2rj3 s ALA 3045N -2.26 -1.02 -0.26 -1.18 0.00 -1.18 -5.03 121.76 110.83 2rj3 s ALA 3045Ca -0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 2rj3 s ALA 3045Cb 0.04 0.88 0.15 0.00 0.00 0.00 0.00 23.12 24.19 2rj3 s ALA 3045CO 0.19 -0.86 0.41 0.45 0.00 0.00 0.00 175.76 175.95 2rj3 s SER 3046N -2.88 0.09 -0.01 0.00 0.15 -1.26 -1.30 113.70 108.49 2rj3 s SER 3046Ca 0.10 0.11 0.02 0.00 0.70 0.00 0.00 55.95 56.88 2rj3 s SER 3046Cb -0.02 1.23 -0.00 0.00 -1.71 0.00 0.00 66.02 65.52 2rj3 s SER 3046CO -0.01 -0.31 -0.08 -1.00 1.20 0.00 0.00 173.24 173.04 2rj3 s HIS 3047N 2.58 0.79 0.00 3.44 3.76 -0.61 -4.98 115.29 120.28 2rj3 s HIS 3047Ca 0.13 -0.17 0.00 0.00 -0.15 0.00 0.00 55.06 54.87 2rj3 s HIS 3047Cb -0.14 -0.54 0.00 0.00 1.11 0.00 0.00 32.58 33.00 2rj3 s HIS 3047CO -0.21 -0.05 0.00 0.54 -0.85 0.00 0.00 174.74 174.17 2rj3 n ARG 3048N 3.07 0.00 -0.28 1.40 1.74 -1.26 0.21 116.66 121.55 2rj3 n ARG 3048Ca -0.16 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.01 2rj3 n ARG 3048Cb 0.56 0.00 0.24 0.00 -1.02 0.00 0.00 32.46 32.24 2rj3 n ARG 3048CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2rj3 n GLU 3049N 14.00 2.26 -3.54 5.56 0.00 -1.26 -4.79 120.64 132.88 2rj3 n GLU 3049Ca 0.00 -1.96 -0.41 0.00 0.00 0.00 0.00 57.16 54.78 2rj3 n GLU 3049Cb 0.00 -1.42 -0.07 0.00 0.00 0.00 0.00 31.44 29.95 2rj3 n GLU 3049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2rj3 s PHE 3050N -1.27 3.53 -0.18 -1.84 0.40 0.13 -4.04 117.98 114.70 2rj3 s PHE 3050Ca 0.37 -2.21 -0.07 0.00 -0.60 0.00 0.00 56.93 54.41 2rj3 s PHE 3050Cb 0.19 -3.50 -0.04 0.00 0.51 0.00 0.00 43.02 40.18 2rj3 s PHE 3050CO 0.25 -0.94 0.05 0.95 0.70 0.00 0.00 175.22 176.23 2rj3 s THR 3051N 0.45 4.66 -0.02 0.64 -4.23 -1.26 -1.57 115.64 114.31 2rj3 s THR 3051Ca 0.14 -0.08 0.06 0.00 -1.18 0.00 0.00 61.69 60.63 2rj3 s THR 3051Cb -0.19 -3.10 -0.01 0.00 1.34 0.00 0.00 72.50 70.54 2rj3 s THR 3051CO -0.04 0.46 -0.19 -0.94 -0.54 0.00 0.00 174.62 173.36 2rj3 s SER 3052N 0.41 2.27 0.14 3.99 1.04 -0.42 -2.43 113.70 118.70 2rj3 s SER 3052Ca 0.02 -0.35 0.06 0.00 0.48 0.00 0.00 55.95 56.16 2rj3 s SER 3052Cb -0.13 -0.26 -0.04 0.00 0.10 0.00 0.00 66.02 65.69 2rj3 s SER 3052CO 0.01 0.24 -0.14 0.26 0.98 0.00 0.00 173.24 174.58 2rj3 s TRP 3053N -0.44 1.46 0.01 5.02 0.52 0.26 -1.27 118.94 124.50 2rj3 s TRP 3053Ca 0.07 -0.57 0.08 0.00 0.02 0.00 0.00 56.10 55.70 2rj3 s TRP 3053Cb -0.08 -0.75 -0.02 0.00 -1.15 0.00 0.00 33.47 31.47 2rj3 s TRP 3053CO -0.01 0.18 -0.25 0.50 0.02 0.00 0.00 176.95 177.39 2rj3 s ARG 3054N -2.92 1.99 0.08 4.98 3.52 -0.18 -1.01 118.95 125.42 2rj3 s ARG 3054Ca 0.12 -1.00 -0.01 0.00 -0.13 0.00 0.00 55.73 54.71 2rj3 s ARG 3054Cb -0.04 -2.03 0.00 0.00 -1.56 0.00 0.00 34.95 31.32 2rj3 s ARG 3054CO 0.04 0.54 0.12 0.00 -0.81 0.00 0.00 175.30 175.19 2rj3 n ALA 3055N 2.10 -0.10 -2.92 6.12 0.00 0.25 -1.01 120.51 124.95 2rj3 n ALA 3055Ca -0.16 -0.38 -0.16 0.00 0.00 0.00 0.00 53.44 52.74 2rj3 n ALA 3055Cb 0.51 0.30 -0.15 0.00 0.00 0.00 0.00 19.45 20.12 2rj3 n ALA 3055CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2rj3 s GLU 3056N -2.18 0.41 -0.13 0.00 2.02 0.69 -0.21 118.70 119.30 2rj3 s GLU 3056Ca 0.07 -0.14 0.01 0.00 0.02 0.00 0.00 54.97 54.92 2rj3 s GLU 3056Cb -0.00 -0.42 0.02 0.00 0.10 0.00 0.00 34.13 33.83 2rj3 s GLU 3056CO 0.05 0.07 -0.14 -0.51 0.02 0.00 0.00 175.26 174.74 2rj3 s LEU 3057N 0.06 1.67 -1.47 1.80 1.43 -0.36 -1.56 118.68 120.26 2rj3 s LEU 3057Ca -0.00 -0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 52.62 2rj3 s LEU 3057Cb -0.04 -1.13 0.02 0.00 0.03 0.00 0.00 46.19 45.08 2rj3 s LEU 3057CO -0.00 -0.03 0.41 0.47 0.23 0.00 0.00 176.35 177.42 2rj3 n ASP 3058N 4.56 -0.54 0.00 2.29 9.92 -1.26 -0.86 116.55 130.67 2rj3 n ASP 3058Ca -0.17 -1.05 0.00 0.00 -0.53 0.00 0.00 54.79 53.04 2rj3 n ASP 3058Cb 0.50 -2.81 0.00 0.00 -0.64 0.00 0.00 41.12 38.18 2rj3 n ASP 3058CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2rj3 n GLY 3059N -1.99 0.67 3.56 0.44 0.00 -1.26 -5.00 105.19 101.60 2rj3 n GLY 3059Ca -0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 2rj3 n GLY 3059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rj3 s LYS 3060N -0.29 3.82 0.25 1.61 -0.14 -0.04 -5.08 119.74 119.87 2rj3 s LYS 3060Ca 0.00 -0.43 -0.30 0.00 -1.36 0.00 0.00 55.97 53.88 2rj3 s LYS 3060Cb 0.00 -3.13 -0.10 0.00 -1.68 0.00 0.00 37.83 32.92 2rj3 s LYS 3060CO 0.00 0.18 1.44 0.00 -0.76 0.00 0.00 175.35 176.21 2rj3 s ALA 3061N 0.58 3.63 -0.03 5.17 0.00 -1.26 -1.22 121.76 128.63 2rj3 s ALA 3061Ca 0.01 1.33 0.01 0.00 0.00 0.00 0.00 51.96 53.31 2rj3 s ALA 3061Cb -0.13 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.44 2rj3 s ALA 3061CO 0.02 -0.74 -0.05 0.08 0.00 0.00 0.00 175.76 175.06 2rj3 s VAL 3062N 0.00 0.53 0.08 0.00 1.01 0.70 -4.19 120.40 118.53 2rj3 s VAL 3062Ca 0.59 -0.18 -0.10 0.00 0.00 0.00 0.00 61.98 62.29 2rj3 s VAL 3062Cb -0.42 -0.51 -0.06 0.00 0.00 0.00 0.00 36.38 35.39 2rj3 s VAL 3062CO 0.43 0.20 0.41 -0.63 0.00 0.00 0.00 175.10 175.50 2rj3 s ILE 3063N 0.52 5.08 -0.17 2.22 -1.09 -0.80 -0.58 121.20 126.38 2rj3 s ILE 3063Ca -0.07 0.49 0.00 0.00 -2.23 0.00 0.00 60.65 58.85 2rj3 s ILE 3063Cb -0.10 -3.65 0.04 0.00 -1.58 0.00 0.00 42.46 37.16 2rj3 s ILE 3063CO 0.00 0.31 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.23 2rj3 s VAL 3064N -1.38 1.45 -0.04 2.92 1.01 -0.18 -0.28 120.40 123.90 2rj3 s VAL 3064Ca 0.33 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 2rj3 s VAL 3064Cb -0.14 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.76 2rj3 s VAL 3064CO 0.18 0.25 0.01 0.00 0.00 0.00 0.00 175.10 175.53 2rj3 s SER 3066N 1.45 4.61 -0.01 0.00 1.04 -1.02 -3.77 113.70 116.00 2rj3 s SER 3066Ca -0.04 1.87 0.05 0.00 0.48 0.00 0.00 55.95 58.31 2rj3 s SER 3066Cb -0.13 -2.53 -0.07 0.00 0.10 0.00 0.00 66.02 63.39 2rj3 s SER 3066CO -0.03 -1.96 0.11 0.35 0.98 0.00 0.00 173.24 172.68 2rj3 n THR 3067N -3.28 0.00 -1.22 2.02 -2.24 -0.57 -4.61 114.28 104.38 2rj3 n THR 3067Ca 0.09 -0.11 0.03 0.00 -2.27 0.00 0.00 64.05 61.79 2rj3 n THR 3067Cb 0.53 0.40 -0.01 0.00 -2.10 0.00 0.00 70.33 69.15 2rj3 n THR 3067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rj3 n GLY 3068N 2.21 -2.12 3.71 3.38 0.00 -0.95 -3.01 105.19 108.41 2rj3 n GLY 3068Ca -0.01 -1.44 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 2rj3 n GLY 3068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rj3 s ILE 3069N -0.94 5.01 0.00 -0.61 1.01 -1.26 -4.69 121.20 119.73 2rj3 s ILE 3069Ca 0.00 1.52 0.00 0.00 0.00 0.00 0.00 60.65 62.17 2rj3 s ILE 3069Cb 0.00 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.39 2rj3 s ILE 3069CO 0.00 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.77 2rj3 n GLY 3070N 3.13 2.03 0.28 6.18 0.00 -1.25 -4.60 105.19 110.97 2rj3 n GLY 3070Ca 0.00 -1.96 -0.08 0.00 0.00 0.00 0.00 46.02 43.99 2rj3 n GLY 3070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2rj3 h GLY 3071N 0.00 0.95 0.59 -0.02 0.00 -1.87 -2.46 103.07 100.26 2rj3 h GLY 3071Ca 0.00 -0.75 0.04 0.00 0.00 0.00 0.00 47.33 46.63 2rj3 h GLY 3071CO 0.00 0.68 -0.03 -2.55 0.00 0.00 0.00 176.54 174.65 2rj3 h PRO 3072N 0.78 0.04 -0.05 4.80 0.11 -1.95 0.20 132.00 135.94 2rj3 h PRO 3072Ca 0.12 -0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.03 2rj3 h PRO 3072Cb 0.65 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.74 2rj3 h PRO 3072CO 0.04 0.03 -0.82 0.66 -0.21 0.00 0.00 178.00 177.70 2rj3 h SER 3073N 0.04 0.50 -0.59 -2.05 4.64 -1.79 -2.92 113.55 111.37 2rj3 h SER 3073Ca 0.11 -0.36 0.06 0.00 -0.47 0.00 0.00 61.79 61.13 2rj3 h SER 3073Cb 0.16 -0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 2rj3 h SER 3073CO -0.21 1.13 0.30 0.74 -0.87 0.00 0.00 176.83 177.91 2rj3 h THR 3074N 0.26 0.93 -0.79 2.95 2.02 -1.34 -2.69 112.91 114.24 2rj3 h THR 3074Ca -0.05 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 2rj3 h THR 3074Cb 1.42 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 2rj3 h THR 3074CO 0.14 0.10 0.34 0.77 0.37 0.00 0.00 175.52 177.24 2rj3 h SER 3075N 0.56 1.08 -0.10 4.18 4.64 -0.43 -1.11 113.55 122.38 2rj3 h SER 3075Ca 0.27 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2rj3 h SER 3075Cb 0.20 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.01 2rj3 h SER 3075CO -0.19 0.94 0.06 0.40 -0.87 0.00 0.00 176.83 177.17 2rj3 h ILE 3076N 1.14 1.06 -0.08 0.95 2.04 -1.46 -2.02 117.51 119.15 2rj3 h ILE 3076Ca 0.27 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.95 2rj3 h ILE 3076Cb 0.19 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 2rj3 h ILE 3076CO -0.03 0.06 0.04 0.00 0.00 0.00 0.00 178.15 178.22 2rj3 h ALA 3077N 0.99 0.10 -0.43 1.87 0.00 -1.11 -1.82 119.26 118.86 2rj3 h ALA 3077Ca 0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2rj3 h ALA 3077Cb 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2rj3 h ALA 3077CO -0.01 -0.35 0.17 0.28 0.00 0.00 0.00 179.25 179.34 2rj3 h VAL 3078N 0.02 1.20 -0.04 0.00 2.07 -1.25 -1.31 116.25 116.93 2rj3 h VAL 3078Ca 0.03 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2rj3 h VAL 3078Cb 0.10 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2rj3 h VAL 3078CO -0.00 0.23 0.02 -0.08 0.02 0.00 0.00 177.57 177.76 2rj3 h GLU 3079N 0.56 0.04 -0.20 1.57 4.57 -1.29 -0.63 114.58 119.21 2rj3 h GLU 3079Ca 0.14 -0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.15 2rj3 h GLU 3079Cb 0.20 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.77 2rj3 h GLU 3079CO -0.01 0.03 -0.56 0.93 -1.18 0.00 0.00 179.01 178.22 2rj3 h GLU 3080N 0.04 0.61 -0.81 1.92 5.08 -1.27 -1.52 114.58 118.63 2rj3 h GLU 3080Ca 0.02 -0.39 0.06 0.00 -1.00 0.00 0.00 59.36 58.05 2rj3 h GLU 3080Cb 0.00 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 2rj3 h GLU 3080CO -0.01 1.01 0.53 -0.07 -1.00 0.00 0.00 179.01 179.46 2rj3 h LEU 3081N 0.47 0.79 -0.50 1.33 4.07 -1.15 -2.69 115.31 117.62 2rj3 h LEU 3081Ca 0.01 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.82 2rj3 h LEU 3081Cb 1.12 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.68 2rj3 h LEU 3081CO 0.11 0.51 -0.33 0.00 -1.08 0.00 0.00 178.44 177.65 2rj3 h ALA 3082N 1.56 0.68 -0.30 1.53 0.00 -0.47 -1.81 119.26 120.45 2rj3 h ALA 3082Ca 0.35 -0.43 0.09 0.00 0.00 0.00 0.00 54.91 54.91 2rj3 h ALA 3082Cb 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2rj3 h ALA 3082CO -0.12 0.67 0.24 1.96 0.00 0.00 0.00 179.25 181.99 2rj3 h GLN 3083N 0.73 0.00 0.00 0.00 4.20 -0.98 -2.21 115.11 116.85 2rj3 h GLN 3083Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2rj3 h GLN 3083Cb 0.90 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.68 2rj3 h GLN 3083CO 0.08 0.00 -0.68 1.28 -0.67 0.00 0.00 178.83 178.84 2rj3 n LEU 3084N -4.24 0.63 0.00 1.46 4.77 -1.01 -4.96 117.00 113.66 2rj3 n LEU 3084Ca 0.04 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2rj3 n LEU 3084Cb 0.40 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2rj3 n LEU 3084CO 0.33 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2rj3 n GLY 3085N 1.48 1.03 3.70 -0.72 0.00 -0.83 -4.76 105.19 105.08 2rj3 n GLY 3085Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2rj3 n GLY 3085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rj3 s ILE 3086N -1.54 3.25 -0.09 -0.61 -1.09 -0.71 -4.64 121.20 115.76 2rj3 s ILE 3086Ca 0.00 0.75 0.02 0.00 -2.23 0.00 0.00 60.65 59.19 2rj3 s ILE 3086Cb 0.00 -3.48 -0.02 0.00 -1.58 0.00 0.00 42.46 37.38 2rj3 s ILE 3086CO 0.00 0.01 0.09 0.54 -1.23 0.00 0.00 174.94 174.35 2rj3 n ARG 3087N 5.09 5.94 -4.55 2.79 5.12 0.50 -4.20 116.66 127.35 2rj3 n ARG 3087Ca 0.14 -0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.80 2rj3 n ARG 3087Cb 0.42 -0.63 -0.17 0.00 -1.16 0.00 0.00 32.46 30.92 2rj3 n ARG 3087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2rj3 s THR 3088N -1.25 1.28 -0.11 0.55 2.01 -0.90 -1.13 115.64 116.09 2rj3 s THR 3088Ca 0.01 -0.54 0.02 0.00 0.31 0.00 0.00 61.69 61.49 2rj3 s THR 3088Cb 0.02 -1.17 0.01 0.00 0.01 0.00 0.00 72.50 71.37 2rj3 s THR 3088CO 0.09 0.39 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.89 2rj3 s PHE 3089N 0.80 2.04 -0.26 4.92 0.40 0.43 -0.96 117.98 125.35 2rj3 s PHE 3089Ca -0.12 -0.94 0.02 0.00 -0.60 0.00 0.00 56.93 55.30 2rj3 s PHE 3089Cb -0.16 -1.45 0.06 0.00 0.51 0.00 0.00 43.02 41.98 2rj3 s PHE 3089CO 0.02 -0.47 -0.11 -0.51 0.70 0.00 0.00 175.22 174.86 2rj3 s LEU 3090N 0.89 3.37 -0.04 -0.37 1.43 -0.35 -1.57 118.68 122.04 2rj3 s LEU 3090Ca -0.08 -1.31 -0.23 0.00 -1.03 0.00 0.00 54.13 51.47 2rj3 s LEU 3090Cb -0.15 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 2rj3 s LEU 3090CO -0.00 -0.18 0.70 -0.60 0.23 0.00 0.00 176.35 176.49 2rj3 s ARG 3091N 1.13 4.43 -0.19 1.70 3.52 -0.52 -0.33 118.95 128.69 2rj3 s ARG 3091Ca -0.07 0.89 0.01 0.00 -0.13 0.00 0.00 55.73 56.43 2rj3 s ARG 3091Cb -0.19 -3.42 0.03 0.00 -1.56 0.00 0.00 34.95 29.81 2rj3 s ARG 3091CO -0.05 0.15 -0.17 -1.50 -0.81 0.00 0.00 175.30 172.92 2rj3 s ILE 3092N 0.49 1.98 0.24 4.11 -1.16 -1.22 -1.17 121.20 124.47 2rj3 s ILE 3092Ca 0.37 -1.01 0.03 0.00 -0.51 0.00 0.00 60.65 59.53 2rj3 s ILE 3092Cb -0.18 -1.86 -0.01 0.00 0.61 0.00 0.00 42.46 41.01 2rj3 s ILE 3092CO 0.19 0.41 0.12 0.61 -2.81 0.00 0.00 174.94 173.46 2rj3 n GLY 3093N 4.62 3.48 3.50 1.50 0.00 -0.16 -4.06 105.19 114.06 2rj3 n GLY 3093Ca -0.19 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.58 2rj3 n GLY 3093CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2rj3 s THR 3094N -2.63 2.98 0.04 2.61 -4.23 -1.26 -1.55 115.64 111.60 2rj3 s THR 3094Ca 0.17 -1.28 -0.08 0.00 -1.18 0.00 0.00 61.69 59.32 2rj3 s THR 3094Cb 0.01 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.53 2rj3 s THR 3094CO 0.12 0.22 0.17 0.28 -0.54 0.00 0.00 174.62 174.87 2rj3 s THR 3095N -1.06 0.11 -0.37 3.99 -1.32 -0.60 -4.86 115.64 111.54 2rj3 s THR 3095Ca 0.17 -0.92 -0.12 0.00 -1.21 0.00 0.00 61.69 59.61 2rj3 s THR 3095Cb -0.11 -0.87 0.01 0.00 -1.51 0.00 0.00 72.50 70.03 2rj3 s THR 3095CO 0.09 -0.51 0.22 -0.83 -2.21 0.00 0.00 174.62 171.38 2rj3 s GLY 3096N -2.04 1.94 0.45 6.08 0.00 -0.87 -1.44 107.32 111.44 2rj3 s GLY 3096Ca -0.06 -1.62 -0.23 0.00 0.00 0.00 0.00 44.72 42.81 2rj3 s GLY 3096CO -0.04 0.82 1.16 0.00 0.00 0.00 0.00 173.10 175.05 2rj3 s ALA 3097N 1.61 3.01 -0.02 3.20 0.00 -0.20 -0.74 121.76 128.61 2rj3 s ALA 3097Ca 0.03 0.93 0.03 0.00 0.00 0.00 0.00 51.96 52.95 2rj3 s ALA 3097Cb -0.19 -3.38 0.05 0.00 0.00 0.00 0.00 23.12 19.61 2rj3 s ALA 3097CO 0.08 -0.61 0.91 0.44 0.00 0.00 0.00 175.76 176.58 2rj3 n ILE 3098N -0.37 0.85 -4.68 0.00 -6.64 -0.32 -0.86 119.36 107.33 2rj3 n ILE 3098Ca 0.07 -0.91 -0.33 0.00 -1.77 0.00 0.00 62.75 59.80 2rj3 n ILE 3098Cb 0.48 0.48 -0.13 0.00 -1.44 0.00 0.00 39.64 39.03 2rj3 n ILE 3098CO 0.00 0.00 0.00 -1.10 -1.77 0.00 0.00 176.55 173.68 2rj3 s GLN 3099N -1.02 3.33 0.60 6.28 -1.52 -1.25 -4.81 119.66 121.28 2rj3 s GLN 3099Ca 0.06 -0.63 0.29 0.00 -1.95 0.00 0.00 55.36 53.12 2rj3 s GLN 3099Cb 0.05 -2.68 1.57 0.00 -0.22 0.00 0.00 33.01 31.73 2rj3 s GLN 3099CO 0.01 0.29 1.96 -1.35 -0.25 0.00 0.00 175.29 175.95 2rj3 h PRO 3100N 6.47 0.00 0.00 2.91 0.11 -1.97 -1.67 132.00 137.84 2rj3 h PRO 3100Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2rj3 h PRO 3100Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2rj3 h PRO 3100CO 0.57 0.00 -0.77 -2.39 -0.21 0.00 0.00 178.00 175.19 2rj3 n HIS 3101N -3.57 0.25 -3.17 0.65 1.44 -1.26 -4.68 115.22 104.88 2rj3 n HIS 3101Ca 0.04 0.07 -0.44 0.00 -2.01 0.00 0.00 57.72 55.39 2rj3 n HIS 3101Cb 0.51 -0.42 -0.06 0.00 0.12 0.00 0.00 29.99 30.14 2rj3 n HIS 3101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2rj3 s ILE 3102N -3.12 4.89 0.51 0.61 1.01 -0.63 -5.06 121.20 119.41 2rj3 s ILE 3102Ca 0.07 -0.46 0.09 0.00 0.00 0.00 0.00 60.65 60.35 2rj3 s ILE 3102Cb 0.15 -4.27 0.05 0.00 0.01 0.00 0.00 42.46 38.40 2rj3 s ILE 3102CO 0.76 -0.76 0.68 0.54 0.00 0.00 0.00 174.94 176.15 2rj3 s ASN 3103N 2.58 5.29 0.23 3.58 2.20 -1.26 -4.75 114.94 122.82 2rj3 s ASN 3103Ca 0.15 -0.70 -0.30 0.00 -0.94 0.00 0.00 52.86 51.07 2rj3 s ASN 3103Cb -0.19 -0.09 -0.10 0.00 -2.00 0.00 0.00 41.25 38.87 2rj3 s ASN 3103CO 0.12 -1.09 1.42 0.68 -2.94 0.00 0.00 177.10 175.30 2rj3 s VAL 3104N -2.55 2.77 0.00 3.54 -7.23 -1.26 -2.79 120.40 112.89 2rj3 s VAL 3104Ca 0.58 0.64 0.00 0.00 -1.81 0.00 0.00 61.98 61.39 2rj3 s VAL 3104Cb -0.07 -3.41 0.00 0.00 0.56 0.00 0.00 36.38 33.46 2rj3 s VAL 3104CO 0.36 0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.85 2rj3 n GLY 3105N 2.30 0.55 3.81 2.32 0.00 -0.51 -5.02 105.19 108.63 2rj3 n GLY 3105Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 2rj3 n GLY 3105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2rj3 s ASP 3106N -1.96 6.05 -0.18 1.61 -0.00 -1.12 -4.77 116.67 116.31 2rj3 s ASP 3106Ca 0.00 1.80 -0.06 0.00 -0.00 0.00 0.00 52.55 54.29 2rj3 s ASP 3106Cb 0.00 -2.54 -0.03 0.00 -0.00 0.00 0.00 42.92 40.35 2rj3 s ASP 3106CO 0.00 -0.98 0.02 -0.69 -0.00 0.00 0.00 175.17 173.52 2rj3 s VAL 3107N -2.37 4.42 -0.17 -1.27 1.01 0.36 -1.36 120.40 121.02 2rj3 s VAL 3107Ca 0.64 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.45 2rj3 s VAL 3107Cb -0.15 -2.98 0.01 0.00 0.00 0.00 0.00 36.38 33.26 2rj3 s VAL 3107CO 0.32 0.47 -0.16 -0.76 0.00 0.00 0.00 175.10 174.96 2rj3 s LEU 3108N 0.44 2.36 -0.23 3.92 1.43 0.02 -1.33 118.68 125.29 2rj3 s LEU 3108Ca 0.00 -0.55 -0.08 0.00 -1.03 0.00 0.00 54.13 52.48 2rj3 s LEU 3108Cb -0.13 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 2rj3 s LEU 3108CO 0.01 0.03 0.08 -0.69 0.23 0.00 0.00 176.35 176.02 2rj3 s VAL 3109N 1.13 4.65 -0.18 -1.59 1.01 -0.41 -1.62 120.40 123.39 2rj3 s VAL 3109Ca 0.01 -0.07 -0.19 0.00 0.00 0.00 0.00 61.98 61.73 2rj3 s VAL 3109Cb -0.14 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 2rj3 s VAL 3109CO -0.06 0.37 0.55 -0.89 0.00 0.00 0.00 175.10 175.07 2rj3 s THR 3110N 1.13 5.09 -0.10 3.92 2.01 -0.65 -1.97 115.64 125.07 2rj3 s THR 3110Ca 0.05 1.04 -0.24 0.00 0.31 0.00 0.00 61.69 62.85 2rj3 s THR 3110Cb -0.14 -3.88 -0.28 0.00 0.01 0.00 0.00 72.50 68.21 2rj3 s THR 3110CO 0.04 0.18 0.76 0.71 -0.69 0.00 0.00 174.62 175.61 2rj3 h THR 3111N 5.08 1.52 -3.16 -0.82 1.35 -1.14 -3.40 112.91 112.34 2rj3 h THR 3111Ca -0.34 -2.42 -0.02 0.00 -0.55 0.00 0.00 66.41 63.07 2rj3 h THR 3111Cb 1.16 3.15 -0.11 0.00 -1.73 0.00 0.00 68.15 70.61 2rj3 h THR 3111CO 0.75 0.64 0.10 0.00 -0.25 0.00 0.00 175.52 176.77 2rj3 s ALA 3112N -2.35 -1.27 -0.02 6.62 0.00 -1.26 -0.24 121.76 123.24 2rj3 s ALA 3112Ca -0.18 0.16 0.07 0.00 0.00 0.00 0.00 51.96 52.01 2rj3 s ALA 3112Cb 0.00 0.83 -0.02 0.00 0.00 0.00 0.00 23.12 23.93 2rj3 s ALA 3112CO 0.75 -0.76 -0.24 -1.12 0.00 0.00 0.00 175.76 174.39 2rj3 s SER 3113N -2.80 3.22 -0.13 0.00 0.01 0.76 -2.26 113.70 112.50 2rj3 s SER 3113Ca 0.04 -0.42 -0.29 0.00 1.31 0.00 0.00 55.95 56.58 2rj3 s SER 3113Cb -0.01 -0.43 -0.05 0.00 0.21 0.00 0.00 66.02 65.75 2rj3 s SER 3113CO -0.09 0.32 1.74 -0.69 0.41 0.00 0.00 173.24 174.93 2rj3 s VAL 3114N -0.63 3.49 -1.13 3.43 1.01 0.93 -4.29 120.40 123.20 2rj3 s VAL 3114Ca 0.10 0.57 -0.20 0.00 0.00 0.00 0.00 61.98 62.45 2rj3 s VAL 3114Cb -0.10 -3.46 0.08 0.00 0.00 0.00 0.00 36.38 32.90 2rj3 s VAL 3114CO -0.01 -0.15 1.53 -0.13 0.00 0.00 0.00 175.10 176.34 2rj3 s ARG 3115N 4.64 3.79 -0.42 2.72 0.52 -1.26 -1.35 118.95 127.58 2rj3 s ARG 3115Ca 0.78 -1.65 0.05 0.00 -0.52 0.00 0.00 55.73 54.39 2rj3 s ARG 3115Cb -0.31 -5.36 0.60 0.00 0.52 0.00 0.00 34.95 30.40 2rj3 s ARG 3115CO 0.32 -2.15 1.79 1.28 0.02 0.00 0.00 175.30 176.56 2rj3 n LEU 3116N 8.18 6.05 0.00 2.53 4.77 -0.69 -4.96 117.00 132.89 2rj3 n LEU 3116Ca 0.38 -3.75 0.00 0.00 -0.03 0.00 0.00 56.01 52.61 2rj3 n LEU 3116Cb 0.48 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 2rj3 n LEU 3116CO 0.68 1.18 0.00 -0.90 -1.33 0.00 0.00 177.39 177.02 2rj3 n ASP 3117N -1.11 1.40 0.00 -1.43 3.85 -1.21 -2.03 116.55 116.02 2rj3 n ASP 3117Ca 0.52 -0.73 0.00 0.00 -0.71 0.00 0.00 54.79 53.87 2rj3 n ASP 3117Cb 1.39 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 41.16 2rj3 n ASP 3117CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2rj3 n GLY 3118N 5.00 0.00 0.20 6.12 0.00 -1.26 -4.81 105.19 110.44 2rj3 n GLY 3118Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 2rj3 n GLY 3118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rj3 h ALA 3119N 0.00 1.36 -0.25 4.61 0.00 -1.98 -2.70 119.26 120.30 2rj3 h ALA 3119Ca 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2rj3 h ALA 3119Cb 0.76 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2rj3 h ALA 3119CO 0.00 0.46 0.06 0.66 0.00 0.00 0.00 179.25 180.43 2rj3 h SER 3120N 0.10 0.32 0.57 0.00 4.64 -1.87 -1.94 113.55 115.37 2rj3 h SER 3120Ca 0.01 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2rj3 h SER 3120Cb 0.61 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2rj3 h SER 3120CO 0.04 0.33 0.00 0.18 -0.87 0.00 0.00 176.83 176.52 2rj3 n LEU 3121N -4.39 0.11 -0.18 5.97 4.77 -1.02 -2.11 117.00 120.14 2rj3 n LEU 3121Ca 0.01 0.53 0.14 0.00 -0.03 0.00 0.00 56.01 56.65 2rj3 n LEU 3121Cb 0.16 -0.51 0.52 0.00 -2.33 0.00 0.00 43.42 41.26 2rj3 n LEU 3121CO 0.36 -0.28 0.79 1.41 -1.33 0.00 0.00 177.39 178.35 2rj3 n HIS 3122N -1.62 0.00 -0.00 -1.77 8.25 -0.73 -4.13 115.22 115.22 2rj3 n HIS 3122Ca 0.03 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2rj3 n HIS 3122Cb 0.19 -0.15 -0.00 0.00 1.12 0.00 0.00 29.99 31.15 2rj3 n HIS 3122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2rj3 n PHE 3123N -0.77 0.00 -3.55 4.41 3.01 -0.90 -5.08 117.46 114.58 2rj3 n PHE 3123Ca 0.14 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.43 2rj3 n PHE 3123Cb 0.31 -0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.71 2rj3 n PHE 3123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2rj3 s ALA 3124N -2.00 -1.78 0.89 4.37 0.00 -0.90 -4.98 121.76 117.37 2rj3 s ALA 3124Ca -0.00 1.48 -0.11 0.00 0.00 0.00 0.00 51.96 53.33 2rj3 s ALA 3124Cb 0.00 -0.28 0.13 0.00 0.00 0.00 0.00 23.12 22.97 2rj3 s ALA 3124CO 0.00 -0.36 1.10 -1.25 0.00 0.00 0.00 175.76 175.25 2rj3 s PRO 3125N -0.84 1.25 0.61 0.00 0.04 -1.26 -3.88 135.00 130.92 2rj3 s PRO 3125Ca -0.08 1.18 0.30 0.00 0.04 0.00 0.00 61.00 62.44 2rj3 s PRO 3125Cb -0.01 -1.78 1.65 0.00 0.04 0.00 0.00 34.50 34.40 2rj3 s PRO 3125CO 0.08 -2.35 2.03 1.98 0.04 0.00 0.00 177.00 178.78 2rj3 h MET 3126N -1.65 0.00 0.00 4.56 4.05 -1.93 -0.34 114.93 119.63 2rj3 h MET 3126Ca -0.47 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 2rj3 h MET 3126Cb 1.27 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.07 2rj3 h MET 3126CO 0.49 0.00 0.00 0.93 0.23 0.00 0.00 176.91 178.56 2rj3 h GLU 3127N 0.00 0.00 -6.60 0.39 3.07 -2.02 -3.43 114.58 105.98 2rj3 h GLU 3127Ca 0.10 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.44 2rj3 h GLU 3127Cb 0.68 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.59 2rj3 h GLU 3127CO -0.00 0.00 0.48 0.12 -1.40 0.00 0.00 179.01 178.21 2rj3 s PHE 3128N -3.61 3.58 0.14 4.33 2.19 -0.14 -5.01 117.98 119.47 2rj3 s PHE 3128Ca 0.02 1.56 -0.30 0.00 0.33 0.00 0.00 56.93 58.54 2rj3 s PHE 3128Cb 0.09 -3.28 -0.07 0.00 -1.31 0.00 0.00 43.02 38.46 2rj3 s PHE 3128CO 0.51 -0.64 1.02 -1.25 1.83 0.00 0.00 175.22 176.69 2rj3 s PRO 3129N 0.04 4.66 -1.40 10.12 0.04 -1.26 -4.95 135.00 142.24 2rj3 s PRO 3129Ca 0.51 1.57 -0.14 0.00 0.04 0.00 0.00 61.00 62.98 2rj3 s PRO 3129Cb -0.28 -3.33 0.07 0.00 0.04 0.00 0.00 34.50 30.99 2rj3 s PRO 3129CO 0.33 0.16 2.08 0.00 0.04 0.00 0.00 177.00 179.60 2rj3 n ALA 3130N 2.59 5.19 -2.81 8.56 0.00 -1.26 -4.74 120.51 128.05 2rj3 n ALA 3130Ca 0.02 -3.96 -0.35 0.00 0.00 0.00 0.00 53.44 49.15 2rj3 n ALA 3130Cb 0.48 -3.44 -0.09 0.00 0.00 0.00 0.00 19.45 16.40 2rj3 n ALA 3130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2rj3 s VAL 3131N 2.80 4.65 0.38 0.00 0.11 -1.26 -0.17 120.40 126.91 2rj3 s VAL 3131Ca 0.47 -0.10 -0.25 0.00 -2.93 0.00 0.00 61.98 59.16 2rj3 s VAL 3131Cb 0.11 -3.04 -0.09 0.00 -1.53 0.00 0.00 36.38 31.83 2rj3 s VAL 3131CO -0.05 0.52 1.13 0.00 -3.33 0.00 0.00 175.10 173.38 2rj3 s ALA 3132N -0.16 3.17 0.33 1.54 0.00 0.66 -4.71 121.76 122.59 2rj3 s ALA 3132Ca 0.06 0.90 -0.29 0.00 0.00 0.00 0.00 51.96 52.63 2rj3 s ALA 3132Cb -0.12 -3.35 -0.12 0.00 0.00 0.00 0.00 23.12 19.53 2rj3 s ALA 3132CO 0.01 -0.41 1.38 -3.47 0.00 0.00 0.00 175.76 173.28 2rj3 n ASP 3133N 0.18 3.09 -0.10 0.00 -0.08 0.51 -4.91 116.55 115.25 2rj3 n ASP 3133Ca 0.04 1.19 -0.10 0.00 -1.51 0.00 0.00 54.79 54.41 2rj3 n ASP 3133Cb 0.47 -1.52 -0.03 0.00 2.34 0.00 0.00 41.12 42.39 2rj3 n ASP 3133CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2rj3 h PHE 3134N 3.15 0.50 -0.44 -0.67 3.57 -1.95 -2.09 116.94 119.02 2rj3 h PHE 3134Ca -0.47 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.00 2rj3 h PHE 3134Cb 1.27 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.83 2rj3 h PHE 3134CO 0.53 0.52 0.26 0.00 -2.23 0.00 0.00 178.31 177.39 2rj3 h ALA 3135N 0.93 0.55 -0.52 2.41 0.00 -1.95 -0.44 119.26 120.24 2rj3 h ALA 3135Ca 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2rj3 h ALA 3135Cb 0.25 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2rj3 h ALA 3135CO -0.00 -0.05 0.31 0.00 0.00 0.00 0.00 179.25 179.50 2rj3 h THR 3137N 0.70 1.24 0.04 0.00 2.02 -1.17 -1.87 112.91 113.87 2rj3 h THR 3137Ca 0.19 -0.81 0.01 0.00 0.77 0.00 0.00 66.41 66.56 2rj3 h THR 3137Cb 0.01 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 2rj3 h THR 3137CO -0.03 0.30 -0.06 0.74 0.37 0.00 0.00 175.52 176.84 2rj3 h THR 3138N 0.80 0.84 -0.91 3.16 2.02 -0.78 -1.47 112.91 116.58 2rj3 h THR 3138Ca 0.18 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.48 2rj3 h THR 3138Cb 0.28 0.84 -0.08 0.00 -1.74 0.00 0.00 68.15 67.46 2rj3 h THR 3138CO -0.01 0.00 0.54 0.00 0.37 0.00 0.00 175.52 176.42 2rj3 h ALA 3139N 0.81 1.35 -0.29 6.16 0.00 -0.97 -1.44 119.26 124.88 2rj3 h ALA 3139Ca 0.01 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2rj3 h ALA 3139Cb 0.14 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2rj3 h ALA 3139CO -0.04 0.13 -0.28 -0.07 0.00 0.00 0.00 179.25 178.99 2rj3 h LEU 3140N 0.86 0.75 -0.08 0.00 3.38 -1.01 -1.45 115.31 117.76 2rj3 h LEU 3140Ca 0.45 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2rj3 h LEU 3140Cb 0.47 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2rj3 h LEU 3140CO -0.27 1.06 0.04 0.58 0.09 0.00 0.00 178.44 179.94 2rj3 h VAL 3141N 0.44 1.06 -0.78 1.22 2.07 -0.99 -2.14 116.25 117.14 2rj3 h VAL 3141Ca 0.05 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 2rj3 h VAL 3141Cb 0.85 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 2rj3 h VAL 3141CO 0.07 0.05 0.31 -0.33 0.02 0.00 0.00 177.57 177.70 2rj3 h GLU 3142N 0.06 1.17 -0.23 1.57 5.08 -1.24 -1.72 114.58 119.26 2rj3 h GLU 3142Ca 0.03 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 2rj3 h GLU 3142Cb 0.05 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 2rj3 h GLU 3142CO -0.00 0.95 -0.22 0.00 -1.00 0.00 0.00 179.01 178.73 2rj3 h ALA 3143N 1.17 1.19 -0.26 3.43 0.00 -1.23 0.11 119.26 123.67 2rj3 h ALA 3143Ca 0.26 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2rj3 h ALA 3143Cb 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2rj3 h ALA 3143CO -0.02 0.52 -0.30 0.00 0.00 0.00 0.00 179.25 179.45 2rj3 h ALA 3144N 1.39 1.00 0.00 0.00 0.00 -0.92 -2.61 119.26 118.12 2rj3 h ALA 3144Ca 0.06 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 2rj3 h ALA 3144Cb 0.61 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2rj3 h ALA 3144CO 0.04 0.60 -0.64 -0.22 0.00 0.00 0.00 179.25 179.03 2rj3 h LYS 3145N 0.46 0.00 -0.52 0.00 3.64 -0.95 0.19 116.57 119.38 2rj3 h LYS 3145Ca 0.06 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 2rj3 h LYS 3145Cb 0.75 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 2rj3 h LYS 3145CO 0.06 0.64 -0.09 1.03 -2.27 0.00 0.00 179.45 178.82 2rj3 h SER 3146N 0.00 0.96 0.80 4.20 0.87 -0.63 -2.47 113.55 117.27 2rj3 h SER 3146Ca -0.01 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 2rj3 h SER 3146Cb 1.16 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 2rj3 h SER 3146CO 0.08 1.06 -0.67 0.00 -0.53 0.00 0.00 176.83 176.77 2rj3 n ILE 3147N -4.15 0.32 -2.43 2.23 0.13 -1.01 -5.01 119.36 109.44 2rj3 n ILE 3147Ca 0.02 -0.26 -0.08 0.00 -1.10 0.00 0.00 62.75 61.33 2rj3 n ILE 3147Cb 0.38 -0.08 0.04 0.00 -0.84 0.00 0.00 39.64 39.14 2rj3 n ILE 3147CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2rj3 n GLY 3148N 1.35 -0.19 3.91 4.50 0.00 -0.13 -5.05 105.19 109.57 2rj3 n GLY 3148Ca 0.03 0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 2rj3 n GLY 3148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rj3 s ALA 3149N -3.21 3.78 -0.36 4.61 0.00 0.47 -5.00 121.76 122.06 2rj3 s ALA 3149Ca 0.24 -0.63 -0.28 0.00 0.00 0.00 0.00 51.96 51.29 2rj3 s ALA 3149Cb -0.03 -2.11 -0.02 0.00 0.00 0.00 0.00 23.12 20.95 2rj3 s ALA 3149CO 0.39 0.56 1.88 0.99 0.00 0.00 0.00 175.76 179.58 2rj3 s THR 3150N -1.77 3.39 -0.09 0.00 2.01 -1.26 -4.79 115.64 113.13 2rj3 s THR 3150Ca 0.41 0.38 0.04 0.00 0.31 0.00 0.00 61.69 62.82 2rj3 s THR 3150Cb -0.12 -3.58 -0.00 0.00 0.01 0.00 0.00 72.50 68.81 2rj3 s THR 3150CO 0.26 -0.41 -0.23 -0.89 -0.69 0.00 0.00 174.62 172.67 2rj3 s THR 3151N 7.54 2.17 -0.03 -0.82 2.01 -1.26 -0.48 115.64 124.76 2rj3 s THR 3151Ca 0.81 -0.99 0.07 0.00 0.31 0.00 0.00 61.69 61.89 2rj3 s THR 3151Cb -0.22 -1.82 -0.02 0.00 0.01 0.00 0.00 72.50 70.45 2rj3 s THR 3151CO 0.32 0.56 -0.24 -1.00 -0.69 0.00 0.00 174.62 173.56 2rj3 s HIS 3152N 0.22 2.26 -0.12 4.92 3.76 -0.44 -4.99 115.29 120.90 2rj3 s HIS 3152Ca -0.15 -0.52 0.03 0.00 -0.15 0.00 0.00 55.06 54.27 2rj3 s HIS 3152Cb -0.17 -1.47 0.01 0.00 1.11 0.00 0.00 32.58 32.06 2rj3 s HIS 3152CO 0.07 -0.10 -0.21 0.08 -0.85 0.00 0.00 174.74 173.74 2rj3 s VAL 3153N -0.42 1.91 -1.37 -0.90 1.01 -1.26 -1.28 120.40 118.08 2rj3 s VAL 3153Ca 0.05 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.12 2rj3 s VAL 3153Cb -0.11 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.59 2rj3 s VAL 3153CO 0.01 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.24 2rj3 n GLY 3154N 3.92 -0.73 3.88 4.51 0.00 -0.83 -4.98 105.19 110.95 2rj3 n GLY 3154Ca -0.20 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 2rj3 n GLY 3154CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2rj3 s VAL 3155N -4.00 5.12 -0.07 1.61 -7.23 -1.26 -0.51 120.40 114.05 2rj3 s VAL 3155Ca 0.00 0.32 0.03 0.00 -1.81 0.00 0.00 61.98 60.52 2rj3 s VAL 3155Cb 0.00 -3.63 0.01 0.00 0.56 0.00 0.00 36.38 33.32 2rj3 s VAL 3155CO 0.00 0.20 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.94 2rj3 s THR 3156N -1.49 1.42 -0.26 5.32 2.01 -0.96 -1.17 115.64 120.51 2rj3 s THR 3156Ca 0.36 -0.65 -0.29 0.00 0.31 0.00 0.00 61.69 61.42 2rj3 s THR 3156Cb -0.13 -1.26 0.00 0.00 0.01 0.00 0.00 72.50 71.12 2rj3 s THR 3156CO 0.20 0.42 1.19 0.00 -0.69 0.00 0.00 174.62 175.74 2rj3 s ALA 3157N 0.51 3.53 -0.42 7.40 0.00 -0.37 -0.05 121.76 132.36 2rj3 s ALA 3157Ca -0.15 0.17 -0.07 0.00 0.00 0.00 0.00 51.96 51.91 2rj3 s ALA 3157Cb -0.16 -3.67 0.09 0.00 0.00 0.00 0.00 23.12 19.38 2rj3 s ALA 3157CO 0.05 -1.43 0.26 0.45 0.00 0.00 0.00 175.76 175.09 2rj3 s SER 3158N 2.04 5.54 0.00 0.00 0.15 -0.46 -2.00 113.70 118.97 2rj3 s SER 3158Ca 0.51 -1.71 -0.03 0.00 0.70 0.00 0.00 55.95 55.43 2rj3 s SER 3158Cb -0.17 -1.95 -0.04 0.00 -1.71 0.00 0.00 66.02 62.16 2rj3 s SER 3158CO 0.16 -0.57 0.20 -0.55 1.20 0.00 0.00 173.24 173.68 2rj3 s SER 3159N 2.16 6.38 0.00 5.45 0.15 0.31 -1.70 113.70 126.45 2rj3 s SER 3159Ca 0.04 0.36 0.30 0.00 0.70 0.00 0.00 55.95 57.36 2rj3 s SER 3159Cb -0.24 -2.01 1.52 0.00 -1.71 0.00 0.00 66.02 63.59 2rj3 s SER 3159CO -0.00 0.25 2.05 0.47 1.20 0.00 0.00 173.24 177.21 2rj3 n ASP 3160N 0.87 0.05 -4.08 5.45 10.43 -0.86 -4.30 116.55 124.12 2rj3 n ASP 3160Ca -0.10 -0.26 -0.16 0.00 2.57 0.00 0.00 54.79 56.84 2rj3 n ASP 3160Cb 0.52 -0.24 -0.12 0.00 1.84 0.00 0.00 41.12 43.12 2rj3 n ASP 3160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2rj3 s THR 3161N -2.51 0.72 0.18 -3.53 -4.23 -1.26 -5.03 115.64 99.98 2rj3 s THR 3161Ca 0.30 -0.93 0.02 0.00 -1.18 0.00 0.00 61.69 59.90 2rj3 s THR 3161Cb 0.20 -0.71 -0.12 0.00 1.34 0.00 0.00 72.50 73.21 2rj3 s THR 3161CO 0.46 -0.18 1.42 0.15 -0.54 0.00 0.00 174.62 175.93 2rj3 h PHE 3162N 4.85 0.35 0.00 3.99 3.04 -1.98 -3.36 116.94 123.84 2rj3 h PHE 3162Ca -0.36 -0.17 0.00 0.00 3.98 0.00 0.00 57.97 61.42 2rj3 h PHE 3162Cb 1.19 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 39.66 2rj3 h PHE 3162CO 0.57 0.94 0.00 0.66 -2.02 0.00 0.00 178.31 178.47 2rj3 n TYR 3163N -3.74 0.00 -0.04 0.41 4.02 -1.26 -4.31 117.16 112.25 2rj3 n TYR 3163Ca -0.04 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.79 2rj3 n TYR 3163Cb 0.75 -0.01 0.13 0.00 -0.02 0.00 0.00 39.34 40.20 2rj3 n TYR 3163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2rj3 h PRO 3164N 0.00 0.64 0.00 -0.72 0.13 -1.85 0.21 132.00 130.40 2rj3 h PRO 3164Ca 0.00 -0.26 -0.03 0.00 -0.87 0.00 0.00 66.00 64.83 2rj3 h PRO 3164Cb 0.00 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.10 2rj3 h PRO 3164CO 0.00 0.84 -0.16 0.78 -0.23 0.00 0.00 178.00 179.23 2rj3 h GLY 3165N 1.00 0.00 -3.55 1.56 0.00 -1.86 0.33 103.07 100.54 2rj3 h GLY 3165Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2rj3 h GLY 3165CO 0.06 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.54 2rj3 n GLN 3166N -4.16 4.88 -3.51 4.80 6.02 -1.07 -4.96 117.38 119.38 2rj3 n GLN 3166Ca -0.02 -3.16 -0.17 0.00 -0.01 0.00 0.00 57.00 53.64 2rj3 n GLN 3166Cb 0.23 -2.26 0.00 0.00 1.02 0.00 0.00 30.24 29.23 2rj3 n GLN 3166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2rj3 n GLU 3167N 0.65 -1.53 -4.62 -1.09 2.13 0.10 -4.94 120.64 111.35 2rj3 n GLU 3167Ca 0.28 1.08 -0.33 0.00 0.66 0.00 0.00 57.16 58.85 2rj3 n GLU 3167Cb 1.19 -3.48 -0.14 0.00 0.27 0.00 0.00 31.44 29.29 2rj3 n GLU 3167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2rj3 s ARG 3168N -4.10 3.48 -0.08 5.31 0.52 0.02 -5.00 118.95 119.10 2rj3 s ARG 3168Ca 0.03 -0.63 0.20 0.00 -0.52 0.00 0.00 55.73 54.82 2rj3 s ARG 3168Cb -0.00 -2.74 -0.31 0.00 0.52 0.00 0.00 34.95 32.42 2rj3 s ARG 3168CO 0.85 0.20 0.36 0.66 0.02 0.00 0.00 175.30 177.38 2rj3 n TYR 3169N 3.59 0.00 -1.61 -0.53 4.02 -1.26 -4.53 117.16 116.84 2rj3 n TYR 3169Ca -0.18 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.31 2rj3 n TYR 3169Cb 0.53 -0.63 -0.04 0.00 -0.02 0.00 0.00 39.34 39.17 2rj3 n TYR 3169CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 2rj3 n ASP 3170N -2.39 3.18 -2.31 7.72 3.85 -1.26 -4.10 116.55 121.24 2rj3 n ASP 3170Ca -0.12 -2.74 -0.11 0.00 -0.71 0.00 0.00 54.79 51.11 2rj3 n ASP 3170Cb 0.73 -1.42 -0.04 0.00 -1.35 0.00 0.00 41.12 39.04 2rj3 n ASP 3170CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 2rj3 n THR 3171N 6.21 0.00 0.20 2.12 -2.24 -1.26 -5.02 114.28 114.29 2rj3 n THR 3171Ca 0.49 -1.25 -0.15 0.00 -2.27 0.00 0.00 64.05 60.87 2rj3 n THR 3171Cb 0.42 0.58 -0.08 0.00 -2.10 0.00 0.00 70.33 69.15 2rj3 n THR 3171CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 2rj3 h TYR 3172N 1.50 -0.40 0.02 4.78 5.03 -1.98 -3.30 116.97 122.61 2rj3 h TYR 3172Ca -0.13 -0.01 -0.29 0.00 2.58 0.00 0.00 58.73 60.88 2rj3 h TYR 3172Cb 0.62 0.13 -0.04 0.00 1.55 0.00 0.00 36.73 38.99 2rj3 h TYR 3172CO 0.00 -0.25 -1.64 0.66 -1.32 0.00 0.00 178.16 175.61 2rj3 h SER 3173N -0.44 0.05 0.00 -2.11 4.64 -1.98 -3.48 113.55 110.24 2rj3 h SER 3173Ca -0.04 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2rj3 h SER 3173Cb 0.34 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2rj3 h SER 3173CO 0.07 1.09 0.00 0.61 -0.87 0.00 0.00 176.83 177.73 2rj3 n GLY 3174N 1.57 0.76 3.69 -0.77 0.00 -1.25 -5.02 105.19 104.18 2rj3 n GLY 3174Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 2rj3 n GLY 3174CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2rj3 s ARG 3175N -0.08 2.54 -0.09 1.61 1.70 -1.26 -4.80 118.95 118.57 2rj3 s ARG 3175Ca 0.00 -0.90 0.03 0.00 -0.47 0.00 0.00 55.73 54.39 2rj3 s ARG 3175Cb 0.00 -2.51 0.01 0.00 -0.57 0.00 0.00 34.95 31.88 2rj3 s ARG 3175CO 0.00 0.52 -0.19 0.08 -1.08 0.00 0.00 175.30 174.63 2rj3 s VAL 3176N -1.43 1.66 0.47 4.99 1.01 -1.26 -4.94 120.40 120.90 2rj3 s VAL 3176Ca 0.26 -0.78 -0.24 0.00 0.00 0.00 0.00 61.98 61.22 2rj3 s VAL 3176Cb -0.11 -1.46 -0.07 0.00 0.00 0.00 0.00 36.38 34.73 2rj3 s VAL 3176CO 0.19 0.47 1.40 0.54 0.00 0.00 0.00 175.10 177.70 2rj3 s VAL 3177N 0.55 2.13 0.23 2.92 0.11 -1.26 -4.64 120.40 120.43 2rj3 s VAL 3177Ca -0.16 0.11 -0.02 0.00 -2.93 0.00 0.00 61.98 58.98 2rj3 s VAL 3177Cb -0.17 -3.06 0.34 0.00 -1.53 0.00 0.00 36.38 31.96 2rj3 s VAL 3177CO 0.06 0.01 1.22 -1.14 -3.33 0.00 0.00 175.10 171.91 2rj3 n ARG 3178N -0.39 -0.07 -0.34 1.54 0.63 -1.26 -0.80 116.66 115.97 2rj3 n ARG 3178Ca 0.06 1.19 0.13 0.00 -0.92 0.00 0.00 57.85 58.31 2rj3 n ARG 3178Cb 0.43 -1.83 0.31 0.00 0.45 0.00 0.00 32.46 31.82 2rj3 n ARG 3178CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2rj3 h ARG 3179N 0.00 0.69 -0.09 -0.14 2.43 -2.02 -2.23 114.38 113.03 2rj3 h ARG 3179Ca 0.43 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 2rj3 h ARG 3179Cb 0.79 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 2rj3 h ARG 3179CO -0.76 0.46 0.00 1.19 -1.51 0.00 0.00 179.97 179.35 2rj3 n PHE 3180N -4.80 0.08 -2.38 2.20 3.01 0.02 -4.73 117.46 110.86 2rj3 n PHE 3180Ca 0.23 -0.05 -0.43 0.00 1.01 0.00 0.00 57.45 58.22 2rj3 n PHE 3180Cb 0.58 -0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.02 2rj3 n PHE 3180CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2rj3 s LYS 3181N -1.71 4.12 0.00 -1.08 2.20 -0.84 -2.39 119.74 120.04 2rj3 s LYS 3181Ca 0.27 1.59 0.00 0.00 -0.36 0.00 0.00 55.97 57.47 2rj3 s LYS 3181Cb 0.18 -3.82 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 2rj3 s LYS 3181CO 0.27 -0.86 0.00 0.41 -0.36 0.00 0.00 175.35 174.81 2rj3 n GLY 3182N 3.89 0.87 0.22 5.54 0.00 -1.26 -4.94 105.19 109.52 2rj3 n GLY 3182Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 2rj3 n GLY 3182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2rj3 h SER 3183N 0.00 0.43 -0.64 1.61 4.64 -1.76 -2.89 113.55 114.94 2rj3 h SER 3183Ca 0.00 -0.17 -0.05 0.00 -0.47 0.00 0.00 61.79 61.10 2rj3 h SER 3183Cb 0.00 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 2rj3 h SER 3183CO 0.00 0.76 0.22 -0.03 -0.87 0.00 0.00 176.83 176.90 2rj3 h MET 3184N 0.35 1.01 -0.27 4.77 -1.53 -1.92 -0.73 114.93 116.61 2rj3 h MET 3184Ca 0.04 -0.20 -0.07 0.00 -3.44 0.00 0.00 59.70 56.04 2rj3 h MET 3184Cb 0.79 -0.16 -0.02 0.00 -0.55 0.00 0.00 31.60 31.67 2rj3 h MET 3184CO 0.06 0.86 -0.12 1.49 0.14 0.00 0.00 176.91 179.34 2rj3 h GLU 3185N 0.98 0.44 -0.15 0.39 4.81 -1.94 -1.60 114.58 117.52 2rj3 h GLU 3185Ca 0.22 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 2rj3 h GLU 3185Cb 0.26 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2rj3 h GLU 3185CO -0.01 0.57 -0.00 0.93 -0.73 0.00 0.00 179.01 179.76 2rj3 h GLU 3186N 0.41 0.27 -0.42 1.92 5.08 -1.15 -0.62 114.58 120.07 2rj3 h GLU 3186Ca 0.08 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2rj3 h GLU 3186Cb 0.47 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2rj3 h GLU 3186CO 0.03 0.50 0.09 -1.49 -1.00 0.00 0.00 179.01 177.14 2rj3 h TRP 3187N 0.00 0.63 0.09 4.33 -0.00 -1.04 -0.49 115.95 119.47 2rj3 h TRP 3187Ca 0.04 -0.05 -0.00 0.00 -0.00 0.00 0.00 58.89 58.88 2rj3 h TRP 3187Cb 0.39 -0.19 0.00 0.00 -0.00 0.00 0.00 29.16 29.36 2rj3 h TRP 3187CO 0.04 0.55 -0.04 1.96 -0.00 0.00 0.00 178.44 180.95 2rj3 h GLN 3188N 0.61 -0.12 -0.30 0.49 4.20 -1.19 0.72 115.11 119.52 2rj3 h GLN 3188Ca 0.14 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.91 2rj3 h GLN 3188Cb 0.24 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 2rj3 h GLN 3188CO -0.00 0.09 0.20 0.00 -0.67 0.00 0.00 178.83 178.45 2rj3 h ALA 3189N 0.57 2.04 -0.04 3.87 0.00 -0.78 -1.40 119.26 123.53 2rj3 h ALA 3189Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2rj3 h ALA 3189Cb 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2rj3 h ALA 3189CO 0.02 -0.10 0.00 -1.33 0.00 0.00 0.00 179.25 177.84 2rj3 n MET 3190N -4.48 1.45 -1.08 0.00 2.81 -0.22 -4.93 117.12 110.66 2rj3 n MET 3190Ca 0.03 -0.66 -0.03 0.00 -1.81 0.00 0.00 57.70 55.24 2rj3 n MET 3190Cb 0.24 -1.45 -0.01 0.00 -0.71 0.00 0.00 33.22 31.28 2rj3 n MET 3190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2rj3 n GLY 3191N 1.09 0.59 3.76 3.03 0.00 -0.53 -5.02 105.19 108.11 2rj3 n GLY 3191Ca 0.19 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 2rj3 n GLY 3191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rj3 s VAL 3192N -2.07 2.69 -0.07 1.61 1.01 0.20 -4.66 120.40 119.10 2rj3 s VAL 3192Ca 0.00 0.65 -0.15 0.00 0.00 0.00 0.00 61.98 62.48 2rj3 s VAL 3192Cb 0.00 -3.42 -0.30 0.00 0.00 0.00 0.00 36.38 32.67 2rj3 s VAL 3192CO 0.00 0.14 0.68 0.24 0.00 0.00 0.00 175.10 176.16 2rj3 h MET 3193N 3.85 0.33 -3.12 2.72 0.00 -1.45 -3.42 114.93 113.84 2rj3 h MET 3193Ca -0.48 -0.56 -0.01 0.00 0.00 0.00 0.00 59.70 58.65 2rj3 h MET 3193Cb 1.22 0.21 -0.11 0.00 0.00 0.00 0.00 31.60 32.93 2rj3 h MET 3193CO 0.69 1.27 0.14 0.54 0.00 0.00 0.00 176.91 179.55 2rj3 s ASN 3194N -7.16 -0.41 -0.13 1.22 4.22 -1.26 -1.17 114.94 110.24 2rj3 s ASN 3194Ca -0.17 -0.25 -0.06 0.00 -2.14 0.00 0.00 52.86 50.24 2rj3 s ASN 3194Cb 0.04 0.60 -0.04 0.00 1.28 0.00 0.00 41.25 43.13 2rj3 s ASN 3194CO 0.82 -1.04 0.09 -0.31 -2.04 0.00 0.00 177.10 174.62 2rj3 s TYR 3195N -3.81 3.40 0.11 1.54 2.02 0.08 -1.24 117.35 119.45 2rj3 s TYR 3195Ca 0.05 0.33 -0.01 0.00 -0.37 0.00 0.00 57.07 57.06 2rj3 s TYR 3195Cb -0.01 -1.96 0.01 0.00 -0.40 0.00 0.00 41.96 39.59 2rj3 s TYR 3195CO -0.07 0.50 0.17 -0.85 -1.57 0.00 0.00 175.55 173.73 2rj3 n GLU 3196N 2.53 0.25 0.00 -0.62 -0.00 -0.85 -2.04 120.64 119.91 2rj3 n GLU 3196Ca -0.18 -0.84 0.00 0.00 -0.00 0.00 0.00 57.16 56.13 2rj3 n GLU 3196Cb 0.54 0.85 0.00 0.00 -0.00 0.00 0.00 31.44 32.83 2rj3 n GLU 3196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2rj3 n MET 3197N -0.18 0.51 0.00 3.44 2.81 -1.26 -0.53 117.12 121.91 2rj3 n MET 3197Ca -0.00 -0.61 0.00 0.00 -1.81 0.00 0.00 57.70 55.27 2rj3 n MET 3197Cb 0.18 -0.73 0.00 0.00 -0.71 0.00 0.00 33.22 31.96 2rj3 n MET 3197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2rj3 n GLU 3198N -0.12 3.45 -0.20 0.03 4.71 -1.26 -3.70 120.64 123.54 2rj3 n GLU 3198Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.07 2rj3 n GLU 3198Cb 0.27 -0.50 0.02 0.00 -1.01 0.00 0.00 31.44 30.22 2rj3 n GLU 3198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2rj3 h SER 3199N 0.00 0.85 -0.62 1.62 4.64 -1.93 -1.89 113.55 116.22 2rj3 h SER 3199Ca 0.00 -0.22 0.07 0.00 -0.47 0.00 0.00 61.79 61.16 2rj3 h SER 3199Cb 0.00 -0.22 -0.06 0.00 -0.31 0.00 0.00 62.40 61.81 2rj3 h SER 3199CO 0.00 0.85 0.31 0.00 -0.87 0.00 0.00 176.83 177.11 2rj3 h ALA 3200N 1.03 0.81 0.08 5.18 0.00 -1.88 0.35 119.26 124.83 2rj3 h ALA 3200Ca 0.18 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2rj3 h ALA 3200Cb 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2rj3 h ALA 3200CO -0.00 -0.06 -0.04 1.15 0.00 0.00 0.00 179.25 180.31 2rj3 h THR 3201N 0.56 1.11 0.04 0.00 2.02 -1.90 -2.31 112.91 112.44 2rj3 h THR 3201Ca 0.29 -0.69 0.02 0.00 0.77 0.00 0.00 66.41 66.79 2rj3 h THR 3201Cb 0.24 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 2rj3 h THR 3201CO -0.21 0.17 -0.13 0.25 0.37 0.00 0.00 175.52 175.97 2rj3 h LEU 3202N -0.42 -0.36 -0.66 2.58 5.85 -0.98 -1.94 115.31 119.38 2rj3 h LEU 3202Ca -0.01 0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.64 2rj3 h LEU 3202Cb 0.36 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2rj3 h LEU 3202CO 0.02 -0.19 -0.20 -0.07 -0.34 0.00 0.00 178.44 177.66 2rj3 h LEU 3203N -0.24 0.85 0.28 2.25 3.38 -0.39 -2.56 115.31 118.87 2rj3 h LEU 3203Ca 0.03 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2rj3 h LEU 3203Cb 0.27 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2rj3 h LEU 3203CO -0.10 1.03 -0.13 0.74 0.09 0.00 0.00 178.44 180.07 2rj3 h THR 3204N 0.73 0.70 0.00 0.22 2.02 -1.37 -1.60 112.91 113.61 2rj3 h THR 3204Ca 0.10 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 2rj3 h THR 3204Cb 0.73 1.06 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 2rj3 h THR 3204CO 0.06 0.14 -0.05 0.00 0.37 0.00 0.00 175.52 176.03 2rj3 h MET 3205N -0.81 0.00 0.06 6.66 -0.00 -1.40 -0.27 114.93 119.17 2rj3 h MET 3205Ca -0.04 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.57 2rj3 h MET 3205Cb 0.51 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.12 2rj3 h MET 3205CO 0.06 0.05 -0.40 0.00 -0.00 0.00 0.00 176.91 176.62 2rj3 h ALA 3207N 0.10 1.17 0.00 0.00 0.00 -0.97 0.10 119.26 119.66 2rj3 h ALA 3207Ca -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2rj3 h ALA 3207Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2rj3 h ALA 3207CO 0.08 0.11 -0.43 0.43 0.00 0.00 0.00 179.25 179.43 2rj3 n SER 3208N -3.44 0.45 -0.10 0.00 7.64 -0.14 -4.26 113.62 113.78 2rj3 n SER 3208Ca -0.01 -0.06 0.02 0.00 1.01 0.00 0.00 58.87 59.83 2rj3 n SER 3208Cb 0.24 0.10 0.03 0.00 -1.01 0.00 0.00 64.21 63.57 2rj3 n SER 3208CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2rj3 n GLN 3209N -1.60 1.38 -1.38 1.43 6.02 -0.95 -5.00 117.38 117.29 2rj3 n GLN 3209Ca 0.05 -1.41 -0.04 0.00 -0.01 0.00 0.00 57.00 55.59 2rj3 n GLN 3209Cb 0.35 -0.91 -0.01 0.00 1.02 0.00 0.00 30.24 30.69 2rj3 n GLN 3209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2rj3 n GLY 3210N -0.51 0.55 3.81 1.08 0.00 -1.03 -5.04 105.19 104.05 2rj3 n GLY 3210Ca 0.04 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 2rj3 n GLY 3210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rj3 s LEU 3211N -0.95 4.04 -0.03 0.99 1.43 0.31 -5.04 118.68 119.42 2rj3 s LEU 3211Ca 0.00 0.27 -0.18 0.00 -1.03 0.00 0.00 54.13 53.19 2rj3 s LEU 3211Cb 0.00 -2.17 -0.05 0.00 0.03 0.00 0.00 46.19 44.00 2rj3 s LEU 3211CO 0.00 0.33 0.49 -0.13 0.23 0.00 0.00 176.35 177.27 2rj3 s ARG 3212N -1.38 4.19 -0.07 1.70 0.52 -0.28 -3.85 118.95 119.77 2rj3 s ARG 3212Ca 0.19 0.53 -0.09 0.00 -0.52 0.00 0.00 55.73 55.85 2rj3 s ARG 3212Cb -0.12 -3.32 0.02 0.00 0.52 0.00 0.00 34.95 32.05 2rj3 s ARG 3212CO 0.09 0.43 0.24 0.00 0.02 0.00 0.00 175.30 176.09 2rj3 s ALA 3213N -0.31 -0.60 0.06 2.13 0.00 -1.26 -0.42 121.76 121.36 2rj3 s ALA 3213Ca 0.27 0.57 0.01 0.00 0.00 0.00 0.00 51.96 52.80 2rj3 s ALA 3213Cb -0.17 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 2rj3 s ALA 3213CO 0.14 -0.14 -0.05 0.20 0.00 0.00 0.00 175.76 175.90 2rj3 s GLY 3214N -0.20 0.54 -0.07 0.00 0.00 -0.61 -0.36 107.32 106.62 2rj3 s GLY 3214Ca -0.03 -1.03 -0.00 0.00 0.00 0.00 0.00 44.72 43.65 2rj3 s GLY 3214CO 0.01 -1.12 -0.02 -0.29 0.00 0.00 0.00 173.10 171.68 2rj3 s MET 3215N -2.85 0.82 0.02 2.90 1.75 -1.26 -1.44 119.30 119.24 2rj3 s MET 3215Ca 0.00 -0.01 0.04 0.00 -1.25 0.00 0.00 55.69 54.47 2rj3 s MET 3215Cb -0.01 -1.03 -0.02 0.00 2.84 0.00 0.00 34.83 36.62 2rj3 s MET 3215CO -0.04 -0.23 -0.13 0.54 -0.65 0.00 0.00 175.02 174.51 2rj3 s VAL 3216N 1.61 1.03 -0.10 10.11 0.11 -0.32 -1.64 120.40 131.20 2rj3 s VAL 3216Ca 0.00 -0.85 -0.14 0.00 -2.93 0.00 0.00 61.98 58.05 2rj3 s VAL 3216Cb -0.13 -0.92 0.03 0.00 -1.53 0.00 0.00 36.38 33.83 2rj3 s VAL 3216CO -0.04 0.07 0.37 0.00 -3.33 0.00 0.00 175.10 172.16 2rj3 s ALA 3217N -0.70 -0.92 -0.15 1.54 0.00 -0.64 -0.99 121.76 119.90 2rj3 s ALA 3217Ca 0.02 0.86 -0.10 0.00 0.00 0.00 0.00 51.96 52.74 2rj3 s ALA 3217Cb -0.07 -0.40 -0.05 0.00 0.00 0.00 0.00 23.12 22.60 2rj3 s ALA 3217CO 0.01 -0.21 0.19 0.20 0.00 0.00 0.00 175.76 175.95 2rj3 s GLY 3218N -0.29 2.16 -0.19 0.00 0.00 -0.59 -0.80 107.32 107.61 2rj3 s GLY 3218Ca -0.04 -0.58 -0.29 0.00 0.00 0.00 0.00 44.72 43.81 2rj3 s GLY 3218CO 0.02 0.03 1.23 0.14 0.00 0.00 0.00 173.10 174.53 2rj3 s VAL 3219N -0.20 4.32 -0.07 1.40 1.01 -0.46 -1.56 120.40 124.84 2rj3 s VAL 3219Ca 0.14 1.59 0.16 0.00 0.00 0.00 0.00 61.98 63.87 2rj3 s VAL 3219Cb -0.12 -4.06 -0.25 0.00 0.00 0.00 0.00 36.38 31.95 2rj3 s VAL 3219CO 0.03 -0.18 0.28 2.30 0.00 0.00 0.00 175.10 177.53 2rj3 n ILE 3220N 5.45 0.35 -3.87 2.22 -5.35 -0.52 -1.43 119.36 116.21 2rj3 n ILE 3220Ca 0.14 -0.49 -0.11 0.00 -0.27 0.00 0.00 62.75 62.02 2rj3 n ILE 3220Cb 0.45 -0.11 -0.09 0.00 -1.74 0.00 0.00 39.64 38.14 2rj3 n ILE 3220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2rj3 s VAL 3221N -2.94 0.09 -0.19 7.28 0.11 -1.23 -4.80 120.40 118.72 2rj3 s VAL 3221Ca -0.07 -0.77 -0.01 0.00 -2.93 0.00 0.00 61.98 58.20 2rj3 s VAL 3221Cb 0.09 -0.59 0.01 0.00 -1.53 0.00 0.00 36.38 34.36 2rj3 s VAL 3221CO 0.70 -0.42 -0.14 0.21 -3.33 0.00 0.00 175.10 172.12 2rj3 s ASN 3222N -1.60 3.60 0.00 3.54 3.84 -1.26 -1.03 114.94 122.02 2rj3 s ASN 3222Ca -0.12 -0.54 0.13 0.00 0.21 0.00 0.00 52.86 52.54 2rj3 s ASN 3222Cb -0.06 -1.58 0.61 0.00 -0.55 0.00 0.00 41.25 39.67 2rj3 s ASN 3222CO 0.00 -0.00 1.37 0.54 -2.79 0.00 0.00 177.10 176.22 2rj3 n ARG 3223N 4.67 0.10 -0.04 0.43 5.12 -0.03 -2.21 116.66 124.69 2rj3 n ARG 3223Ca -0.20 0.21 -0.21 0.00 -1.93 0.00 0.00 57.85 55.72 2rj3 n ARG 3223Cb 0.50 -1.50 -0.13 0.00 -1.16 0.00 0.00 32.46 30.17 2rj3 n ARG 3223CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2rj3 n THR 3224N -1.38 1.69 -1.61 0.55 -2.24 -1.26 -5.01 114.28 105.02 2rj3 n THR 3224Ca 0.05 -0.53 -0.32 0.00 -2.27 0.00 0.00 64.05 60.97 2rj3 n THR 3224Cb 0.12 -1.74 0.06 0.00 -2.10 0.00 0.00 70.33 66.67 2rj3 n THR 3224CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2rj3 s GLN 3225N -2.52 2.66 -0.97 -0.78 -0.21 -0.94 -5.00 119.66 111.91 2rj3 s GLN 3225Ca -0.26 1.29 -0.03 0.00 0.02 0.00 0.00 55.36 56.38 2rj3 s GLN 3225Cb 0.07 -1.94 0.27 0.00 1.00 0.00 0.00 33.01 32.41 2rj3 s GLN 3225CO 0.70 -1.35 1.07 1.04 -2.12 0.00 0.00 175.29 174.63 2rj3 n GLN 3226N -2.78 3.39 -3.73 2.91 3.00 -1.26 -4.93 117.38 113.98 2rj3 n GLN 3226Ca 0.10 -4.53 -0.12 0.00 -0.01 0.00 0.00 57.00 52.43 2rj3 n GLN 3226Cb 0.52 -2.45 -0.11 0.00 0.00 0.00 0.00 30.24 28.21 2rj3 n GLN 3226CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2rj3 s GLU 3227N -1.96 0.43 -0.13 -1.09 2.12 -1.26 -5.16 118.70 111.64 2rj3 s GLU 3227Ca 0.31 0.60 -0.07 0.00 0.36 0.00 0.00 54.97 56.17 2rj3 s GLU 3227Cb -0.01 0.14 -0.04 0.00 0.26 0.00 0.00 34.13 34.48 2rj3 s GLU 3227CO -0.03 -0.08 0.12 0.42 -0.54 0.00 0.00 175.26 175.15 2rj3 s ILE 3228N 0.55 5.32 -0.01 -3.70 1.09 -1.26 -4.90 121.20 118.29 2rj3 s ILE 3228Ca -0.03 0.14 -0.16 0.00 -1.10 0.00 0.00 60.65 59.51 2rj3 s ILE 3228Cb -0.04 -3.34 -0.08 0.00 -1.06 0.00 0.00 42.46 37.94 2rj3 s ILE 3228CO -0.03 0.58 0.43 -2.65 -0.10 0.00 0.00 174.94 173.16 2rj3 n PRO 3229N 2.37 0.00 0.00 2.79 -0.02 -1.26 -5.21 135.00 133.67 2rj3 n PRO 3229Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 2rj3 n PRO 3229Cb 0.54 -0.59 0.00 0.00 -0.02 0.00 0.00 33.50 33.43 2rj3 n PRO 3229CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2rj3 n ASN 3230N 0.62 0.00 0.00 2.55 4.13 -1.26 -5.08 115.26 116.22 2rj3 n ASN 3230Ca 0.08 0.07 0.00 0.00 1.68 0.00 0.00 54.58 56.41 2rj3 n ASN 3230Cb 0.03 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.27 2rj3 n ASN 3230CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2rj3 n GLU 3232N -0.07 0.00 0.00 3.52 1.02 -1.26 -5.24 120.64 118.61 2rj3 n GLU 3232Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2rj3 n GLU 3232Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2rj3 n GLU 3232CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2rj3 n MET 3234N 0.00 0.00 -0.09 3.49 2.81 -1.26 -0.44 117.12 121.63 2rj3 n MET 3234Ca 0.00 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.77 2rj3 n MET 3234Cb 0.00 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.46 2rj3 n MET 3234CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2rj3 h LYS 3235N 0.00 0.56 -0.37 0.03 3.64 -2.01 0.38 116.57 118.79 2rj3 h LYS 3235Ca 0.00 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.11 2rj3 h LYS 3235Cb 0.00 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 2rj3 h LYS 3235CO 0.00 0.82 0.18 0.37 -2.27 0.00 0.00 179.45 178.55 2rj3 h GLN 3236N 0.28 0.54 -0.58 1.90 5.75 -1.20 -2.85 115.11 118.95 2rj3 h GLN 3236Ca 0.06 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.44 2rj3 h GLN 3236Cb 0.66 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.09 2rj3 h GLN 3236CO 0.04 0.48 0.23 1.15 -2.65 0.00 0.00 178.83 178.08 2rj3 h THR 3237N 0.46 1.23 0.84 2.39 2.02 -1.76 -2.59 112.91 115.50 2rj3 h THR 3237Ca 0.13 -0.70 -0.04 0.00 0.77 0.00 0.00 66.41 66.56 2rj3 h THR 3237Cb 0.12 0.61 0.01 0.00 -1.74 0.00 0.00 68.15 67.15 2rj3 h THR 3237CO -0.02 0.27 -0.40 -0.08 0.37 0.00 0.00 175.52 175.66 2rj3 h GLU 3238N 0.80 -1.09 0.00 6.66 4.81 -0.89 -1.75 114.58 123.12 2rj3 h GLU 3238Ca 0.19 0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 2rj3 h GLU 3238Cb 0.20 0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 2rj3 h GLU 3238CO -0.02 -0.72 -0.03 0.66 -0.73 0.00 0.00 179.01 178.18 2rj3 h SER 3239N -1.22 0.00 0.21 1.04 4.64 -1.58 0.11 113.55 116.76 2rj3 h SER 3239Ca -0.12 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.19 2rj3 h SER 3239Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 2rj3 h SER 3239CO 0.19 0.03 -0.10 -0.74 -0.87 0.00 0.00 176.83 175.33 2rj3 h HIS 3240N 0.00 -0.26 0.00 4.77 -0.00 -1.29 -2.96 115.15 115.41 2rj3 h HIS 3240Ca -0.00 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.31 2rj3 h HIS 3240Cb 0.13 0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.62 2rj3 h HIS 3240CO 0.00 0.12 -0.25 0.00 -0.00 0.00 0.00 177.93 177.80 2rj3 h ALA 3241N -0.12 1.53 -0.42 5.26 0.00 -0.58 -2.29 119.26 122.63 2rj3 h ALA 3241Ca -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2rj3 h ALA 3241Cb 0.50 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2rj3 h ALA 3241CO 0.05 0.32 0.16 0.28 0.00 0.00 0.00 179.25 180.05 2rj3 h VAL 3242N 0.00 1.16 -0.31 0.00 2.07 -0.84 -2.16 116.25 116.17 2rj3 h VAL 3242Ca -0.00 -0.52 -0.13 0.00 0.82 0.00 0.00 66.70 66.86 2rj3 h VAL 3242Cb 0.46 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2rj3 h VAL 3242CO 0.03 0.20 -0.32 0.11 0.02 0.00 0.00 177.57 177.61 2rj3 h LYS 3243N 0.60 0.76 0.18 1.57 1.57 -1.24 -2.72 116.57 117.29 2rj3 h LYS 3243Ca 0.15 -0.41 0.01 0.00 -1.87 0.00 0.00 60.65 58.52 2rj3 h LYS 3243Cb 0.13 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2rj3 h LYS 3243CO -0.01 1.03 -0.21 0.82 -0.57 0.00 0.00 179.45 180.51 2rj3 h ILE 3244N 0.52 0.53 -0.50 1.86 5.03 -1.36 -0.44 117.51 123.16 2rj3 h ILE 3244Ca 0.05 0.00 -0.05 0.00 -0.12 0.00 0.00 64.86 64.74 2rj3 h ILE 3244Cb 0.90 0.53 -0.02 0.00 -3.03 0.00 0.00 36.82 35.20 2rj3 h ILE 3244CO 0.08 0.00 0.11 1.62 -0.68 0.00 0.00 178.15 179.28 2rj3 h VAL 3245N -0.44 1.22 -0.41 1.67 3.04 -1.47 0.28 116.25 120.14 2rj3 h VAL 3245Ca 0.01 -0.79 -0.12 0.00 -1.01 0.00 0.00 66.70 64.79 2rj3 h VAL 3245Cb 0.43 0.72 -0.01 0.00 -2.01 0.00 0.00 31.29 30.42 2rj3 h VAL 3245CO -0.07 0.29 -0.22 0.58 -1.01 0.00 0.00 177.57 177.13 2rj3 h VAL 3246N 0.73 1.28 0.00 1.51 2.07 -1.40 -1.21 116.25 119.23 2rj3 h VAL 3246Ca 0.16 -1.37 -0.10 0.00 0.82 0.00 0.00 66.70 66.20 2rj3 h VAL 3246Cb 0.29 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2rj3 h VAL 3246CO -0.00 0.46 -0.50 -0.08 0.02 0.00 0.00 177.57 177.48 2rj3 h GLU 3247N 0.69 0.00 -0.19 1.57 4.57 -0.54 -2.74 114.58 117.95 2rj3 h GLU 3247Ca 0.09 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.14 2rj3 h GLU 3247Cb 0.79 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 2rj3 h GLU 3247CO 0.07 0.50 -0.37 0.00 -1.18 0.00 0.00 179.01 178.02 2rj3 h ALA 3248N 1.50 0.30 -0.24 2.92 0.00 -0.32 -3.17 119.26 120.25 2rj3 h ALA 3248Ca -0.00 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.48 2rj3 h ALA 3248Cb 0.94 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2rj3 h ALA 3248CO 0.06 0.38 0.16 0.00 0.00 0.00 0.00 179.25 179.85 2rj3 h ALA 3249N 0.59 1.93 -0.28 0.00 0.00 -1.11 -1.66 119.26 118.72 2rj3 h ALA 3249Ca 0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2rj3 h ALA 3249Cb 0.97 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2rj3 h ALA 3249CO 0.08 0.04 0.04 -0.09 0.00 0.00 0.00 179.25 179.33 2rj3 h ARG 3250N 0.24 0.41 0.00 0.00 2.43 -1.46 -2.17 114.38 113.83 2rj3 h ARG 3250Ca 0.10 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2rj3 h ARG 3250Cb 0.09 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2rj3 h ARG 3250CO -0.02 0.40 -0.19 0.00 -1.51 0.00 0.00 179.97 178.66 2rj3 h ARG 3251N 0.40 0.00 -0.37 0.20 3.08 -1.36 -3.33 114.38 113.00 2rj3 h ARG 3251Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2rj3 h ARG 3251Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2rj3 h ARG 3251CO 0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 2rj3 n LEU 3252N -2.63 3.45 -0.56 3.04 4.77 -0.83 -5.09 117.00 119.15 2rj3 n LEU 3252Ca 0.04 -1.48 0.14 0.00 -0.03 0.00 0.00 56.01 54.68 2rj3 n LEU 3252Cb 0.49 -0.24 0.45 0.00 -2.33 0.00 0.00 43.42 41.79 2rj3 n LEU 3252CO 0.34 0.73 0.83 0.18 -1.33 0.00 0.00 177.39 178.14