#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ld4 s LEU 5115N 0.00 1.91 0.04 0.55 2.96 -1.26 -0.55 118.68 122.33 1ld4 s LEU 5115Ca 0.00 -0.29 0.04 0.00 -0.22 0.00 0.00 54.13 53.67 1ld4 s LEU 5115Cb 0.00 -0.81 -0.02 0.00 0.50 0.00 0.00 46.19 45.86 1ld4 s LEU 5115CO 0.00 0.14 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.68 1ld4 s PHE 5116N -0.02 1.13 0.40 5.38 0.40 -0.20 -4.98 117.98 120.09 1ld4 s PHE 5116Ca -0.01 -0.37 -0.24 0.00 -0.60 0.00 0.00 56.93 55.71 1ld4 s PHE 5116Cb -0.09 -0.66 -0.09 0.00 0.51 0.00 0.00 43.02 42.69 1ld4 s PHE 5116CO 0.01 0.02 1.06 -0.51 0.70 0.00 0.00 175.22 176.51 1ld4 s ASP 5117N -1.22 6.71 -0.22 1.36 1.01 -1.26 -0.97 116.67 122.07 1ld4 s ASP 5117Ca -0.00 2.07 -0.03 0.00 0.71 0.00 0.00 52.55 55.30 1ld4 s ASP 5117Cb -0.08 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.27 1ld4 s ASP 5117CO 0.01 -0.53 -0.07 -0.69 0.21 0.00 0.00 175.17 174.11 1ld4 s VAL 5118N -1.64 3.07 0.06 -1.27 1.01 0.03 0.33 120.40 121.99 1ld4 s VAL 5118Ca 0.58 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1ld4 s VAL 5118Cb -0.23 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1ld4 s VAL 5118CO 0.28 0.38 0.06 -0.54 0.00 0.00 0.00 175.10 175.28 1ld4 s LYS 5119N 1.42 2.86 0.62 2.72 1.02 0.73 -1.19 119.74 127.91 1ld4 s LYS 5119Ca 0.04 -0.67 -0.08 0.00 0.02 0.00 0.00 55.97 55.29 1ld4 s LYS 5119Cb -0.15 -2.72 0.14 0.00 -0.52 0.00 0.00 37.83 34.58 1ld4 s LYS 5119CO -0.05 0.58 0.84 0.27 -0.92 0.00 0.00 175.35 176.08 1ld4 n ASN 5120N 0.68 0.35 0.29 2.83 0.23 0.09 -0.85 115.26 118.88 1ld4 n ASN 5120Ca -0.10 -1.48 0.17 0.00 -0.53 0.00 0.00 54.58 52.64 1ld4 n ASN 5120Cb 0.52 -0.62 0.84 0.00 -2.08 0.00 0.00 39.78 38.45 1ld4 n ASN 5120CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1ld4 h GLU 5121N 0.00 0.00 -0.21 -3.83 4.39 -1.91 -1.20 114.58 111.82 1ld4 h GLU 5121Ca -0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1ld4 h GLU 5121Cb 0.82 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1ld4 h GLU 5121CO 0.22 0.05 0.00 -3.47 -1.16 0.00 0.00 179.01 174.65 1ld4 n ASP 5122N -3.31 1.65 0.00 1.42 2.03 -1.26 -4.91 116.55 112.17 1ld4 n ASP 5122Ca -0.01 -1.79 0.00 0.00 0.52 0.00 0.00 54.79 53.51 1ld4 n ASP 5122Cb 0.22 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 1ld4 n ASP 5122CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ld4 n GLY 5123N 1.09 2.12 3.77 0.27 0.00 -0.45 -5.02 105.19 106.98 1ld4 n GLY 5123Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1ld4 n GLY 5123CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ld4 s ASP 5124N -3.53 6.80 -0.35 1.61 1.01 -1.26 -4.60 116.67 116.34 1ld4 s ASP 5124Ca 0.00 2.16 -0.29 0.00 0.71 0.00 0.00 52.55 55.13 1ld4 s ASP 5124Cb 0.00 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.34 1ld4 s ASP 5124CO 0.00 -0.47 1.25 -0.69 0.21 0.00 0.00 175.17 175.47 1ld4 s VAL 5125N -1.49 4.18 -1.02 -1.27 1.01 -1.26 -0.73 120.40 119.82 1ld4 s VAL 5125Ca 0.55 1.30 0.10 0.00 0.00 0.00 0.00 61.98 63.93 1ld4 s VAL 5125Cb -0.26 -4.30 0.22 0.00 0.00 0.00 0.00 36.38 32.04 1ld4 s VAL 5125CO 0.33 -0.62 1.11 2.30 0.00 0.00 0.00 175.10 178.21 1ld4 n ILE 5126N 6.41 0.67 -1.21 2.22 -5.35 -0.34 -4.56 119.36 117.20 1ld4 n ILE 5126Ca 0.14 -0.83 0.00 0.00 -0.27 0.00 0.00 62.75 61.79 1ld4 n ILE 5126Cb 0.47 0.74 0.00 0.00 -1.74 0.00 0.00 39.64 39.11 1ld4 n ILE 5126CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ld4 n GLY 5127N 0.50 -1.99 3.03 3.28 0.00 -1.20 -4.11 105.19 104.70 1ld4 n GLY 5127Ca 0.09 -1.17 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 1ld4 n GLY 5127CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ld4 s HIS 5128N -2.33 0.42 0.15 1.61 3.76 0.07 -0.79 115.29 118.19 1ld4 s HIS 5128Ca 0.00 -0.69 0.10 0.00 -0.15 0.00 0.00 55.06 54.31 1ld4 s HIS 5128Cb 0.00 -0.29 -0.04 0.00 1.11 0.00 0.00 32.58 33.36 1ld4 s HIS 5128CO 0.00 -0.22 -0.18 0.00 -0.85 0.00 0.00 174.74 173.49 1ld4 s ALA 5129N -2.24 2.70 -0.01 -1.40 0.00 -0.15 -4.30 121.76 116.36 1ld4 s ALA 5129Ca -0.07 -1.47 0.02 0.00 0.00 0.00 0.00 51.96 50.44 1ld4 s ALA 5129Cb -0.04 -0.58 -0.00 0.00 0.00 0.00 0.00 23.12 22.50 1ld4 s ALA 5129CO -0.03 0.51 -0.06 -1.17 0.00 0.00 0.00 175.76 175.01 1ld4 s LEU 5130N -2.46 1.95 -0.39 0.00 2.96 0.25 -1.04 118.68 119.96 1ld4 s LEU 5130Ca 0.20 -0.12 -0.16 0.00 -0.22 0.00 0.00 54.13 53.84 1ld4 s LEU 5130Cb -0.09 -0.34 0.01 0.00 0.50 0.00 0.00 46.19 46.26 1ld4 s LEU 5130CO 0.11 0.07 0.36 0.00 -1.32 0.00 0.00 176.35 175.57 1ld4 s ALA 5131N -0.06 3.47 -0.19 5.97 0.00 0.29 -0.99 121.76 130.26 1ld4 s ALA 5131Ca 0.01 -1.46 -0.17 0.00 0.00 0.00 0.00 51.96 50.34 1ld4 s ALA 5131Cb -0.04 -2.90 0.05 0.00 0.00 0.00 0.00 23.12 20.23 1ld4 s ALA 5131CO -0.00 -1.34 0.49 1.41 0.00 0.00 0.00 175.76 176.32 1ld4 s MET 5132N 1.94 0.57 -1.57 0.00 0.00 0.02 -0.79 119.30 119.47 1ld4 s MET 5132Ca 0.10 0.69 -0.07 0.00 0.00 0.00 0.00 55.69 56.40 1ld4 s MET 5132Cb -0.17 0.27 0.07 0.00 0.00 0.00 0.00 34.83 35.00 1ld4 s MET 5132CO 0.12 -0.07 0.44 0.39 0.00 0.00 0.00 175.02 175.90 1ld4 n GLU 5133N 2.85 -2.49 -0.40 4.11 -0.58 -0.72 -1.47 120.64 121.94 1ld4 n GLU 5133Ca -0.14 0.30 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 1ld4 n GLU 5133Cb 0.57 -4.49 0.00 0.00 -0.57 0.00 0.00 31.44 26.95 1ld4 n GLU 5133CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ld4 n GLY 5134N -1.88 1.38 3.18 0.62 0.00 -1.26 -5.02 105.19 102.20 1ld4 n GLY 5134Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 1ld4 n GLY 5134CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ld4 s LYS 5135N -0.30 0.91 -0.04 1.61 -2.85 -0.54 -1.12 119.74 117.41 1ld4 s LYS 5135Ca 0.00 -1.32 -0.15 0.00 -1.00 0.00 0.00 55.97 53.50 1ld4 s LYS 5135Cb 0.00 0.27 -0.05 0.00 -2.06 0.00 0.00 37.83 35.98 1ld4 s LYS 5135CO 0.00 -0.26 0.40 0.08 0.10 0.00 0.00 175.35 175.67 1ld4 s VAL 5136N -4.00 5.09 -0.03 1.79 1.01 0.80 -0.80 120.40 124.26 1ld4 s VAL 5136Ca 0.19 0.81 -0.08 0.00 0.00 0.00 0.00 61.98 62.90 1ld4 s VAL 5136Cb 0.07 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.74 1ld4 s VAL 5136CO -0.01 0.52 0.18 0.00 0.00 0.00 0.00 175.10 175.79 1ld4 s MET 5137N -0.67 0.40 0.06 2.72 0.00 -0.16 -1.25 119.30 120.40 1ld4 s MET 5137Ca 0.23 -0.12 -0.11 0.00 0.00 0.00 0.00 55.69 55.69 1ld4 s MET 5137Cb -0.16 0.18 0.01 0.00 0.00 0.00 0.00 34.83 34.86 1ld4 s MET 5137CO 0.12 -0.09 0.25 -1.59 0.00 0.00 0.00 175.02 173.71 1ld4 s LYS 5138N -0.79 0.82 0.25 3.16 -2.85 -0.37 -0.58 119.74 119.37 1ld4 s LYS 5138Ca -0.09 -0.70 -0.30 0.00 -1.00 0.00 0.00 55.97 53.89 1ld4 s LYS 5138Cb -0.05 0.34 -0.09 0.00 -2.06 0.00 0.00 37.83 35.97 1ld4 s LYS 5138CO 0.01 -0.26 1.29 -2.14 0.10 0.00 0.00 175.35 174.35 1ld4 s PRO 5139N -3.08 4.40 0.35 1.78 0.02 -1.26 -0.67 135.00 136.54 1ld4 s PRO 5139Ca -0.01 2.09 0.08 0.00 0.02 0.00 0.00 61.00 63.18 1ld4 s PRO 5139Cb 0.01 -3.15 0.67 0.00 0.02 0.00 0.00 34.50 32.05 1ld4 s PRO 5139CO -0.07 -0.19 1.85 1.25 -0.33 0.00 0.00 177.00 179.52 1ld4 h LEU 5140N 4.56 0.27 -0.74 -5.54 5.85 -0.96 -2.78 115.31 115.97 1ld4 h LEU 5140Ca -0.46 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1ld4 h LEU 5140Cb 1.22 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1ld4 h LEU 5140CO 0.72 0.48 0.00 0.00 -0.34 0.00 0.00 178.44 179.30 1ld4 n HIS 5141N -4.21 0.69 -2.70 1.25 1.44 -1.26 -4.27 115.22 106.16 1ld4 n HIS 5141Ca -0.01 0.29 -0.42 0.00 -2.01 0.00 0.00 57.72 55.57 1ld4 n HIS 5141Cb 0.32 -0.96 -0.03 0.00 0.12 0.00 0.00 29.99 29.43 1ld4 n HIS 5141CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1ld4 s VAL 5142N -3.32 4.10 -0.80 0.61 1.01 -1.05 -4.97 120.40 115.98 1ld4 s VAL 5142Ca 0.03 -0.37 -0.19 0.00 0.00 0.00 0.00 61.98 61.45 1ld4 s VAL 5142Cb 0.08 -4.86 0.12 0.00 0.00 0.00 0.00 36.38 31.73 1ld4 s VAL 5142CO 0.33 -1.70 0.97 -0.54 0.00 0.00 0.00 175.10 174.16 1ld4 s LYS 5143N 4.61 3.39 0.00 2.72 1.02 -1.26 -4.93 119.74 125.30 1ld4 s LYS 5143Ca 0.33 -1.57 0.00 0.00 0.02 0.00 0.00 55.97 54.75 1ld4 s LYS 5143Cb -0.09 -4.60 0.00 0.00 -0.52 0.00 0.00 37.83 32.62 1ld4 s LYS 5143CO 0.05 -1.69 0.00 0.41 -0.92 0.00 0.00 175.35 173.20 1ld4 n GLY 5144N 5.26 2.01 3.52 -3.33 0.00 -1.26 -4.82 105.19 106.58 1ld4 n GLY 5144Ca 0.11 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 1ld4 n GLY 5144CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ld4 s THR 5145N -2.77 3.66 -0.07 2.61 2.01 -0.03 -4.83 115.64 116.21 1ld4 s THR 5145Ca 0.00 -0.47 -0.30 0.00 0.31 0.00 0.00 61.69 61.23 1ld4 s THR 5145Cb 0.00 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 1ld4 s THR 5145CO 0.00 0.55 1.39 -0.63 -0.69 0.00 0.00 174.62 175.24 1ld4 s ILE 5146N -0.26 3.93 -0.67 1.82 1.01 -1.26 -0.19 121.20 125.58 1ld4 s ILE 5146Ca 0.04 1.21 -0.21 0.00 0.00 0.00 0.00 60.65 61.68 1ld4 s ILE 5146Cb -0.13 -3.78 -0.17 0.00 0.01 0.00 0.00 42.46 38.39 1ld4 s ILE 5146CO 0.03 -0.06 1.88 -0.67 0.00 0.00 0.00 174.94 176.12 1ld4 n ASP 5147N 6.14 2.48 -3.64 3.58 2.03 0.15 -4.34 116.55 122.95 1ld4 n ASP 5147Ca 0.14 -2.61 -0.06 0.00 0.52 0.00 0.00 54.79 52.78 1ld4 n ASP 5147Cb 0.44 -1.02 -0.07 0.00 -0.72 0.00 0.00 41.12 39.75 1ld4 n ASP 5147CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1ld4 s HIS 5148N 5.11 -0.85 0.31 -0.67 2.46 -1.26 -4.69 115.29 115.70 1ld4 s HIS 5148Ca 0.56 1.74 0.02 0.00 0.47 0.00 0.00 55.06 57.85 1ld4 s HIS 5148Cb 0.14 0.50 0.58 0.00 -0.13 0.00 0.00 32.58 33.67 1ld4 s HIS 5148CO 0.13 -0.42 1.89 -1.00 -2.47 0.00 0.00 174.74 172.87 1ld4 h PRO 5149N 6.35 0.94 0.00 2.88 0.13 -2.01 -2.07 132.00 138.23 1ld4 h PRO 5149Ca -0.29 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.75 1ld4 h PRO 5149Cb 1.21 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 1ld4 h PRO 5149CO 0.16 0.62 -0.31 0.28 -0.23 0.00 0.00 178.00 178.52 1ld4 h VAL 5150N 0.97 0.36 -0.22 1.56 2.07 -1.97 -3.38 116.25 115.64 1ld4 h VAL 5150Ca 0.42 -1.33 0.06 0.00 0.82 0.00 0.00 66.70 66.68 1ld4 h VAL 5150Cb 0.35 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1ld4 h VAL 5150CO -0.18 0.12 0.23 -0.07 0.02 0.00 0.00 177.57 177.69 1ld4 h LEU 5151N -1.00 0.00 -0.84 2.57 3.38 -1.92 0.58 115.31 118.09 1ld4 h LEU 5151Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ld4 h LEU 5151Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1ld4 h LEU 5151CO -0.02 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.28 1ld4 h SER 5152N 0.00 0.00 -0.50 -0.43 4.64 -1.55 -3.10 113.55 112.61 1ld4 h SER 5152Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1ld4 h SER 5152Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1ld4 h SER 5152CO -0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1ld4 n LYS 5153N -2.80 2.46 -3.33 4.77 5.02 0.20 -4.94 118.16 119.54 1ld4 n LYS 5153Ca 0.02 -2.24 -0.32 0.00 -2.02 0.00 0.00 58.31 53.75 1ld4 n LYS 5153Cb 0.35 -1.51 -0.06 0.00 -0.02 0.00 0.00 35.03 33.79 1ld4 n LYS 5153CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ld4 s LEU 5154N -1.27 4.15 -0.23 -0.35 1.43 -1.17 -5.06 118.68 116.18 1ld4 s LEU 5154Ca 0.41 1.03 -0.13 0.00 -1.03 0.00 0.00 54.13 54.41 1ld4 s LEU 5154Cb 0.23 -3.77 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 1ld4 s LEU 5154CO 0.31 -0.10 0.29 -1.59 0.23 0.00 0.00 176.35 175.48 1ld4 s LYS 5155N -2.82 4.09 0.24 1.70 0.00 -1.26 -5.07 119.74 116.63 1ld4 s LYS 5155Ca 0.49 -0.04 -0.10 0.00 0.00 0.00 0.00 55.97 56.32 1ld4 s LYS 5155Cb -0.11 -3.57 -0.07 0.00 0.00 0.00 0.00 37.83 34.08 1ld4 s LYS 5155CO 0.20 -0.05 0.56 -0.06 0.00 0.00 0.00 175.35 176.00 1ld4 s PHE 5156N 1.36 3.42 -0.22 1.78 0.40 -1.26 -4.76 117.98 118.71 1ld4 s PHE 5156Ca 0.13 0.88 -0.05 0.00 -0.60 0.00 0.00 56.93 57.29 1ld4 s PHE 5156Cb -0.14 -2.27 -0.02 0.00 0.51 0.00 0.00 43.02 41.10 1ld4 s PHE 5156CO 0.07 0.25 -0.01 0.99 0.70 0.00 0.00 175.22 177.22 1ld4 s THR 5157N -1.84 3.69 0.35 0.64 2.01 -0.06 -4.90 115.64 115.52 1ld4 s THR 5157Ca 0.48 -0.39 -0.27 0.00 0.31 0.00 0.00 61.69 61.82 1ld4 s THR 5157Cb -0.11 -2.68 -0.09 0.00 0.01 0.00 0.00 72.50 69.62 1ld4 s THR 5157CO 0.22 0.41 1.13 -0.54 -0.69 0.00 0.00 174.62 175.14 1ld4 s LYS 5158N 1.39 4.30 -0.46 4.92 1.02 -1.26 -1.46 119.74 128.20 1ld4 s LYS 5158Ca 0.05 1.79 0.09 0.00 0.02 0.00 0.00 55.97 57.92 1ld4 s LYS 5158Cb -0.14 -2.85 0.34 0.00 -0.52 0.00 0.00 37.83 34.65 1ld4 s LYS 5158CO -0.01 -0.09 0.81 0.45 -0.92 0.00 0.00 175.35 175.60 1ld4 n SER 5159N 0.48 2.28 -0.32 2.83 2.88 0.38 -4.96 113.62 117.19 1ld4 n SER 5159Ca 0.02 -3.27 0.22 0.00 -1.33 0.00 0.00 58.87 54.51 1ld4 n SER 5159Cb 0.46 -0.60 0.44 0.00 -0.75 0.00 0.00 64.21 63.76 1ld4 n SER 5159CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1ld4 h SER 5160N 3.03 0.11 0.11 -3.46 0.02 -1.94 -0.03 113.55 111.39 1ld4 h SER 5160Ca 0.11 0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1ld4 h SER 5160Cb 0.78 0.29 -0.00 0.00 0.14 0.00 0.00 62.40 63.61 1ld4 h SER 5160CO 0.63 -0.30 -0.00 0.00 -1.14 0.00 0.00 176.83 176.01 1ld4 h ALA 5161N 1.92 1.06 -0.24 3.77 0.00 -1.94 -1.84 119.26 121.99 1ld4 h ALA 5161Ca 0.71 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.62 1ld4 h ALA 5161Cb 1.67 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1ld4 h ALA 5161CO -0.75 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.16 1ld4 n TYR 5162N -3.17 0.32 -3.34 0.00 4.02 -0.04 -4.90 117.16 110.05 1ld4 n TYR 5162Ca -0.03 -0.45 -0.24 0.00 -0.01 0.00 0.00 57.90 57.17 1ld4 n TYR 5162Cb 0.10 -0.03 0.02 0.00 -0.02 0.00 0.00 39.34 39.41 1ld4 n TYR 5162CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1ld4 n ASP 5163N 0.30 -4.81 -4.42 7.72 2.03 -0.69 -4.94 116.55 111.74 1ld4 n ASP 5163Ca 0.09 -0.42 -0.22 0.00 0.52 0.00 0.00 54.79 54.76 1ld4 n ASP 5163Cb 0.37 -3.91 -0.10 0.00 -0.72 0.00 0.00 41.12 36.76 1ld4 n ASP 5163CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1ld4 s MET 5164N -6.01 1.54 -0.06 -0.67 -1.94 -1.12 -0.41 119.30 110.63 1ld4 s MET 5164Ca 0.42 -1.73 -0.03 0.00 -1.71 0.00 0.00 55.69 52.64 1ld4 s MET 5164Cb -0.21 -1.39 0.03 0.00 2.01 0.00 0.00 34.83 35.28 1ld4 s MET 5164CO 0.51 0.19 0.14 -2.00 -0.01 0.00 0.00 175.02 173.86 1ld4 s GLU 5165N -3.62 0.11 0.10 2.03 2.12 0.15 -0.47 118.70 119.12 1ld4 s GLU 5165Ca 0.27 0.33 0.01 0.00 0.36 0.00 0.00 54.97 55.94 1ld4 s GLU 5165Cb -0.01 -0.12 -0.04 0.00 0.26 0.00 0.00 34.13 34.22 1ld4 s GLU 5165CO 0.11 -0.13 -0.03 -0.59 -0.54 0.00 0.00 175.26 174.09 1ld4 s PHE 5166N 0.93 0.85 0.01 5.30 -0.71 -0.53 -1.24 117.98 122.58 1ld4 s PHE 5166Ca -0.07 -1.02 -0.16 0.00 -1.04 0.00 0.00 56.93 54.64 1ld4 s PHE 5166Cb -0.09 -0.51 0.03 0.00 -1.21 0.00 0.00 43.02 41.24 1ld4 s PHE 5166CO -0.05 -0.28 0.34 0.00 -1.34 0.00 0.00 175.22 173.90 1ld4 s ALA 5167N -3.77 -0.84 0.25 1.99 0.00 -0.38 -0.88 121.76 118.12 1ld4 s ALA 5167Ca 0.15 0.27 -0.30 0.00 0.00 0.00 0.00 51.96 52.08 1ld4 s ALA 5167Cb 0.06 0.20 -0.09 0.00 0.00 0.00 0.00 23.12 23.29 1ld4 s ALA 5167CO -0.04 -0.35 1.16 -1.14 0.00 0.00 0.00 175.76 175.39 1ld4 s GLN 5168N -1.92 4.55 0.31 0.00 0.74 -1.26 -0.14 119.66 121.94 1ld4 s GLN 5168Ca -0.09 1.88 -0.28 0.00 0.05 0.00 0.00 55.36 56.91 1ld4 s GLN 5168Cb -0.03 -3.20 -0.09 0.00 1.10 0.00 0.00 33.01 30.79 1ld4 s GLN 5168CO 0.01 0.05 1.11 -0.51 -0.55 0.00 0.00 175.29 175.40 1ld4 s LEU 5169N -1.00 4.45 0.85 3.68 1.43 -0.27 -4.69 118.68 123.12 1ld4 s LEU 5169Ca 0.48 2.26 -0.12 0.00 -1.03 0.00 0.00 54.13 55.73 1ld4 s LEU 5169Cb -0.33 -3.75 0.11 0.00 0.03 0.00 0.00 46.19 42.24 1ld4 s LEU 5169CO 0.41 -0.27 1.18 -2.84 0.23 0.00 0.00 176.35 175.06 1ld4 s PRO 5170N -1.71 1.40 0.27 1.29 0.02 -1.26 -4.77 135.00 130.24 1ld4 s PRO 5170Ca 0.48 1.67 -0.00 0.00 0.02 0.00 0.00 61.00 63.17 1ld4 s PRO 5170Cb -0.31 -1.76 0.59 0.00 0.02 0.00 0.00 34.50 33.05 1ld4 s PRO 5170CO 0.39 -2.37 1.71 0.28 -0.33 0.00 0.00 177.00 176.68 1ld4 h VAL 5171N -1.27 0.56 0.00 3.83 2.07 -1.99 -1.91 116.25 117.53 1ld4 h VAL 5171Ca -0.45 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 1ld4 h VAL 5171Cb 1.28 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1ld4 h VAL 5171CO 0.44 0.08 -0.16 -0.55 0.02 0.00 0.00 177.57 177.40 1ld4 h ASN 5172N 0.42 0.00 0.85 0.57 7.08 -2.04 -2.90 115.58 119.55 1ld4 h ASN 5172Ca 0.49 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.71 1ld4 h ASN 5172Cb 0.85 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.09 1ld4 h ASN 5172CO -0.48 0.16 -0.65 0.23 -2.08 0.00 0.00 177.43 174.62 1ld4 n MET 5173N -3.89 0.29 0.28 4.14 2.81 -0.73 -4.01 117.12 116.02 1ld4 n MET 5173Ca -0.02 0.08 0.16 0.00 -1.81 0.00 0.00 57.70 56.11 1ld4 n MET 5173Cb 0.25 -1.68 0.82 0.00 -0.71 0.00 0.00 33.22 31.90 1ld4 n MET 5173CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ld4 h ARG 5174N 0.00 0.00 0.02 0.03 3.08 -1.37 -3.23 114.38 112.91 1ld4 h ARG 5174Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ld4 h ARG 5174Cb 0.75 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 1ld4 h ARG 5174CO 0.00 0.06 -0.01 0.66 -1.07 0.00 0.00 179.97 179.61 1ld4 h SER 5175N 0.00 -0.03 -0.84 7.04 4.64 -1.73 -3.27 113.55 119.36 1ld4 h SER 5175Ca -0.00 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.92 1ld4 h SER 5175Cb 0.31 0.01 -0.24 0.00 -0.31 0.00 0.00 62.40 62.17 1ld4 h SER 5175CO 0.01 -0.02 0.51 -1.84 -0.87 0.00 0.00 176.83 174.62 1ld4 n GLU 5176N -2.20 2.40 -1.21 4.77 -0.00 -1.25 -4.98 120.64 118.17 1ld4 n GLU 5176Ca -0.00 -2.68 -0.33 0.00 -0.00 0.00 0.00 57.16 54.15 1ld4 n GLU 5176Cb 0.01 -2.06 0.11 0.00 -0.00 0.00 0.00 31.44 29.50 1ld4 n GLU 5176CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ld4 s ALA 5177N -2.87 1.96 0.60 -1.84 0.00 -1.22 -4.93 121.76 113.46 1ld4 s ALA 5177Ca 0.50 0.71 -0.19 0.00 0.00 0.00 0.00 51.96 52.99 1ld4 s ALA 5177Cb 0.42 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 1ld4 s ALA 5177CO 0.10 -2.10 1.22 -0.06 0.00 0.00 0.00 175.76 174.93 1ld4 s PHE 5178N -2.30 2.34 -0.16 0.00 0.08 0.03 -4.77 117.98 113.20 1ld4 s PHE 5178Ca 0.70 1.51 -0.08 0.00 0.12 0.00 0.00 56.93 59.18 1ld4 s PHE 5178Cb -0.25 -3.52 -0.04 0.00 -0.57 0.00 0.00 43.02 38.63 1ld4 s PHE 5178CO 0.50 -2.34 0.12 0.99 -0.10 0.00 0.00 175.22 174.39 1ld4 s THR 5179N -1.55 5.36 -0.03 0.64 2.01 -1.26 -1.75 115.64 119.06 1ld4 s THR 5179Ca 0.78 0.16 -0.02 0.00 0.31 0.00 0.00 61.69 62.93 1ld4 s THR 5179Cb -0.32 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1ld4 s THR 5179CO 0.34 0.53 0.10 -0.47 -0.69 0.00 0.00 174.62 174.43 1ld4 s TYR 5180N -0.29 3.37 -0.03 4.92 5.04 -1.26 -0.37 117.35 128.74 1ld4 s TYR 5180Ca 0.11 0.28 0.02 0.00 -2.44 0.00 0.00 57.07 55.03 1ld4 s TYR 5180Cb -0.12 -1.79 0.01 0.00 0.35 0.00 0.00 41.96 40.42 1ld4 s TYR 5180CO 0.01 0.59 -0.05 -0.08 -1.34 0.00 0.00 175.55 174.68 1ld4 s THR 5181N -1.17 0.52 -0.89 4.34 -1.32 -0.72 -4.90 115.64 111.51 1ld4 s THR 5181Ca 0.22 -0.19 0.26 0.00 -1.21 0.00 0.00 61.69 60.76 1ld4 s THR 5181Cb -0.12 -0.50 0.09 0.00 -1.51 0.00 0.00 72.50 70.46 1ld4 s THR 5181CO 0.13 0.19 1.53 -1.54 -2.21 0.00 0.00 174.62 172.72 1ld4 n SER 5182N 3.53 0.46 -4.52 8.08 3.41 -1.26 -4.52 113.62 118.80 1ld4 n SER 5182Ca -0.20 0.08 -0.43 0.00 -0.26 0.00 0.00 58.87 58.05 1ld4 n SER 5182Cb 0.54 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.42 1ld4 n SER 5182CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ld4 s GLU 5183N -3.05 3.35 -0.48 4.33 8.01 -1.26 -4.89 118.70 124.71 1ld4 s GLU 5183Ca 0.10 -0.24 0.06 0.00 0.01 0.00 0.00 54.97 54.90 1ld4 s GLU 5183Cb 0.16 -3.99 0.18 0.00 -4.31 0.00 0.00 34.13 26.18 1ld4 s GLU 5183CO 0.66 -1.23 0.59 -3.38 0.01 0.00 0.00 175.26 171.91 1ld4 s HIS 5184N 3.40 -0.71 1.03 1.61 -3.43 -1.26 -5.06 115.29 110.87 1ld4 s HIS 5184Ca 0.28 -1.13 -0.12 0.00 -0.80 0.00 0.00 55.06 53.30 1ld4 s HIS 5184Cb -0.13 -0.10 0.21 0.00 -1.43 0.00 0.00 32.58 31.13 1ld4 s HIS 5184CO 0.20 -1.12 1.07 -1.25 -2.00 0.00 0.00 174.74 171.65 1ld4 s PRO 5185N 0.65 0.11 0.43 -0.38 0.04 -1.26 -4.94 135.00 129.65 1ld4 s PRO 5185Ca 0.30 0.99 -0.24 0.00 0.04 0.00 0.00 61.00 62.09 1ld4 s PRO 5185Cb 0.01 -1.66 -0.10 0.00 0.04 0.00 0.00 34.50 32.79 1ld4 s PRO 5185CO -0.10 -3.07 1.10 0.39 0.04 0.00 0.00 177.00 175.36 1ld4 n GLU 5186N -4.48 1.51 -1.24 4.56 1.02 -1.26 -4.83 120.64 115.93 1ld4 n GLU 5186Ca 0.06 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 1ld4 n GLU 5186Cb 0.54 -2.17 0.00 0.00 -0.02 0.00 0.00 31.44 29.79 1ld4 n GLU 5186CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ld4 n GLY 5187N 1.06 0.08 3.44 0.62 0.00 -0.37 -5.00 105.19 105.02 1ld4 n GLY 5187Ca 0.09 -1.29 -0.34 0.00 0.00 0.00 0.00 46.02 44.48 1ld4 n GLY 5187CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ld4 s PHE 5188N -3.47 2.94 0.12 1.61 0.08 -1.26 -0.42 117.98 117.59 1ld4 s PHE 5188Ca 0.00 -0.47 0.00 0.00 0.12 0.00 0.00 56.93 56.58 1ld4 s PHE 5188Cb 0.00 -1.93 0.00 0.00 -0.57 0.00 0.00 43.02 40.52 1ld4 s PHE 5188CO 0.00 -0.14 0.03 0.66 -0.10 0.00 0.00 175.22 175.67 1ld4 n TYR 5189N 3.64 -0.31 -3.83 0.36 4.01 0.23 -4.85 117.16 116.41 1ld4 n TYR 5189Ca -0.18 -0.55 -0.11 0.00 -0.16 0.00 0.00 57.90 56.90 1ld4 n TYR 5189Cb 0.52 -0.09 -0.09 0.00 -0.31 0.00 0.00 39.34 39.38 1ld4 n TYR 5189CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1ld4 s ASN 5190N -1.67 -0.02 0.34 7.72 4.22 -0.59 -0.74 114.94 124.20 1ld4 s ASN 5190Ca 0.03 -0.25 0.01 0.00 -2.14 0.00 0.00 52.86 50.50 1ld4 s ASN 5190Cb -0.00 0.28 -0.00 0.00 1.28 0.00 0.00 41.25 42.81 1ld4 s ASN 5190CO 0.02 -0.51 0.43 -2.67 -2.04 0.00 0.00 177.10 172.32 1ld4 n TRP 5191N 0.91 -1.26 -0.35 1.54 4.27 -0.70 -0.12 117.44 121.73 1ld4 n TRP 5191Ca -0.20 -2.42 0.23 0.00 -3.89 0.00 0.00 57.50 51.23 1ld4 n TRP 5191Cb 0.58 0.47 0.49 0.00 -1.36 0.00 0.00 31.31 31.49 1ld4 n TRP 5191CO 0.00 0.00 0.00 1.25 -2.29 0.00 0.00 177.69 176.65 1ld4 h HIS 5192N 2.01 0.78 -0.44 -2.67 -0.00 -1.99 -2.42 115.15 110.41 1ld4 h HIS 5192Ca -0.26 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.14 1ld4 h HIS 5192Cb 1.17 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 28.36 1ld4 h HIS 5192CO 0.00 -0.01 0.00 0.72 -0.00 0.00 0.00 177.93 178.64 1ld4 n HIS 5193N -4.77 0.58 0.00 5.26 8.25 -1.26 -5.06 115.22 118.22 1ld4 n HIS 5193Ca 0.28 -0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1ld4 n HIS 5193Cb 0.94 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.05 1ld4 n HIS 5193CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ld4 n GLY 5194N 1.38 0.88 3.78 -1.41 0.00 -0.91 -5.06 105.19 103.85 1ld4 n GLY 5194Ca 0.19 -1.94 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 1ld4 n GLY 5194CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ld4 s ALA 5195N -1.20 2.96 -0.04 4.61 0.00 -1.26 -1.72 121.76 125.11 1ld4 s ALA 5195Ca 0.00 0.75 0.02 0.00 0.00 0.00 0.00 51.96 52.74 1ld4 s ALA 5195Cb 0.00 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.82 1ld4 s ALA 5195CO 0.00 -0.42 -0.10 0.08 0.00 0.00 0.00 175.76 175.32 1ld4 s VAL 5196N -1.72 0.94 -0.11 0.00 1.01 0.09 -4.74 120.40 115.87 1ld4 s VAL 5196Ca 0.63 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 62.15 1ld4 s VAL 5196Cb -0.22 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 1ld4 s VAL 5196CO 0.27 0.30 0.07 -1.58 0.00 0.00 0.00 175.10 174.17 1ld4 s GLN 5197N 0.41 3.30 -0.21 2.72 0.74 -0.09 0.78 119.66 127.31 1ld4 s GLN 5197Ca -0.08 -0.27 0.01 0.00 0.05 0.00 0.00 55.36 55.08 1ld4 s GLN 5197Cb -0.12 -3.03 0.04 0.00 1.10 0.00 0.00 33.01 31.01 1ld4 s GLN 5197CO 0.02 0.70 -0.12 -0.47 -0.55 0.00 0.00 175.29 174.86 1ld4 s TYR 5198N -0.83 2.71 -0.11 1.67 5.04 0.44 -0.03 117.35 126.24 1ld4 s TYR 5198Ca 0.13 -1.79 -0.20 0.00 -2.44 0.00 0.00 57.07 52.76 1ld4 s TYR 5198Cb -0.12 -1.77 0.05 0.00 0.35 0.00 0.00 41.96 40.47 1ld4 s TYR 5198CO 0.03 -0.79 0.50 0.45 -1.34 0.00 0.00 175.55 174.40 1ld4 s SER 5199N 1.30 -0.47 -1.47 4.32 0.15 -0.20 -1.24 113.70 116.09 1ld4 s SER 5199Ca -0.02 0.69 -0.11 0.00 0.70 0.00 0.00 55.95 57.20 1ld4 s SER 5199Cb -0.17 0.71 0.07 0.00 -1.71 0.00 0.00 66.02 64.92 1ld4 s SER 5199CO -0.08 -0.37 0.83 0.61 1.20 0.00 0.00 173.24 175.43 1ld4 n GLY 5200N 1.88 -0.50 2.45 9.45 0.00 -1.26 -0.77 105.19 116.43 1ld4 n GLY 5200Ca -0.17 0.17 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 1ld4 n GLY 5200CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ld4 n GLY 5201N -1.57 0.69 3.10 -0.02 0.00 -1.26 -5.01 105.19 101.11 1ld4 n GLY 5201Ca 0.00 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 1ld4 n GLY 5201CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ld4 s ARG 5202N -1.92 0.98 -0.28 1.61 0.52 0.05 -5.12 118.95 114.79 1ld4 s ARG 5202Ca 0.00 -0.52 -0.13 0.00 -0.52 0.00 0.00 55.73 54.55 1ld4 s ARG 5202Cb 0.00 -0.96 -0.04 0.00 0.52 0.00 0.00 34.95 34.47 1ld4 s ARG 5202CO 0.00 0.26 0.29 -0.06 0.02 0.00 0.00 175.30 175.81 1ld4 s PHE 5203N -0.44 3.23 0.12 -0.53 0.08 -1.26 -1.03 117.98 118.15 1ld4 s PHE 5203Ca 0.04 0.23 0.10 0.00 0.12 0.00 0.00 56.93 57.41 1ld4 s PHE 5203Cb -0.06 -2.50 -0.04 0.00 -0.57 0.00 0.00 43.02 39.85 1ld4 s PHE 5203CO -0.00 -0.23 -0.24 0.95 -0.10 0.00 0.00 175.22 175.61 1ld4 s THR 5204N 1.93 1.99 0.23 0.64 -4.23 0.95 -1.09 115.64 116.06 1ld4 s THR 5204Ca 0.11 -1.68 0.02 0.00 -1.18 0.00 0.00 61.69 58.97 1ld4 s THR 5204Cb -0.16 -1.79 -0.05 0.00 1.34 0.00 0.00 72.50 71.84 1ld4 s THR 5204CO 0.11 -0.01 0.03 0.27 -0.54 0.00 0.00 174.62 174.48 1ld4 s ILE 5205N -1.18 0.78 0.68 2.99 -4.36 -0.36 -0.91 121.20 118.84 1ld4 s ILE 5205Ca 0.11 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.34 1ld4 s ILE 5205Cb -0.10 -2.39 0.01 0.00 1.25 0.00 0.00 42.46 41.24 1ld4 s ILE 5205CO 0.05 -0.26 1.17 -2.84 0.24 0.00 0.00 174.94 173.31 1ld4 s PRO 5206N -3.93 2.51 0.39 0.37 0.02 -1.26 -0.80 135.00 132.29 1ld4 s PRO 5206Ca 0.30 1.63 -0.26 0.00 0.02 0.00 0.00 61.00 62.70 1ld4 s PRO 5206Cb 0.07 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.61 1ld4 s PRO 5206CO 0.09 -1.52 1.15 0.50 -0.33 0.00 0.00 177.00 176.89 1ld4 s ARG 5207N -3.88 4.14 -0.44 5.54 3.52 -1.26 -3.52 118.95 123.06 1ld4 s ARG 5207Ca 0.72 1.80 0.00 0.00 -0.13 0.00 0.00 55.73 58.12 1ld4 s ARG 5207Cb -0.26 -2.72 0.00 0.00 -1.56 0.00 0.00 34.95 30.41 1ld4 s ARG 5207CO 0.42 -0.24 0.00 0.41 -0.81 0.00 0.00 175.30 175.08 1ld4 n GLY 5208N 0.65 0.52 0.24 8.12 0.00 -1.26 -4.93 105.19 108.54 1ld4 n GLY 5208Ca 0.04 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 1ld4 n GLY 5208CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ld4 n VAL 5209N -3.29 0.59 -4.03 1.61 0.31 -1.23 -5.03 118.33 107.26 1ld4 n VAL 5209Ca -0.05 -0.20 -0.31 0.00 -0.01 0.00 0.00 64.34 63.77 1ld4 n VAL 5209Cb 0.29 -1.11 -0.06 0.00 -0.91 0.00 0.00 33.84 32.05 1ld4 n VAL 5209CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1ld4 s GLY 5210N -5.06 2.05 0.00 2.92 0.00 -1.26 -5.02 107.32 100.96 1ld4 s GLY 5210Ca -0.14 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.62 1ld4 s GLY 5210CO 0.22 -0.92 0.00 0.61 0.00 0.00 0.00 173.10 173.01 1ld4 n GLY 5211N 0.54 2.08 3.62 0.20 0.00 -1.26 -5.04 105.19 105.32 1ld4 n GLY 5211Ca -0.09 -0.37 -0.51 0.00 0.00 0.00 0.00 46.02 45.06 1ld4 n GLY 5211CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ld4 n ARG 5212N 0.00 1.34 0.00 1.61 0.63 -1.26 -1.48 116.66 117.50 1ld4 n ARG 5212Ca 0.00 0.48 0.00 0.00 -0.92 0.00 0.00 57.85 57.41 1ld4 n ARG 5212Cb 0.00 -2.16 0.00 0.00 0.45 0.00 0.00 32.46 30.75 1ld4 n ARG 5212CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ld4 n GLY 5213N 2.85 2.12 0.03 5.14 0.00 -1.26 -4.92 105.19 109.16 1ld4 n GLY 5213Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.35 1ld4 n GLY 5213CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ld4 n ASP 5214N 0.00 0.17 -4.71 1.61 8.00 -0.55 -3.53 116.55 117.54 1ld4 n ASP 5214Ca 0.00 -0.18 -0.42 0.00 0.71 0.00 0.00 54.79 54.90 1ld4 n ASP 5214Cb 0.00 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 40.85 1ld4 n ASP 5214CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1ld4 s SER 5215N -2.63 6.93 0.00 -2.24 0.01 -1.26 -2.76 113.70 111.75 1ld4 s SER 5215Ca 0.25 2.14 0.00 0.00 1.31 0.00 0.00 55.95 59.65 1ld4 s SER 5215Cb 0.20 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.85 1ld4 s SER 5215CO 0.49 -0.60 0.00 0.61 0.41 0.00 0.00 173.24 174.15 1ld4 n GLY 5216N 3.43 2.35 3.77 3.44 0.00 -0.17 -0.75 105.19 117.26 1ld4 n GLY 5216Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1ld4 n GLY 5216CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ld4 s ARG 5217N -0.26 4.39 0.43 1.61 0.52 -1.11 -4.64 118.95 119.89 1ld4 s ARG 5217Ca 0.00 1.86 -0.06 0.00 -0.52 0.00 0.00 55.73 57.01 1ld4 s ARG 5217Cb 0.00 -2.97 -0.04 0.00 0.52 0.00 0.00 34.95 32.46 1ld4 s ARG 5217CO 0.00 -0.04 0.74 -1.25 0.02 0.00 0.00 175.30 174.77 1ld4 s PRO 5218N -1.84 3.61 -0.19 3.54 0.04 -1.26 -1.60 135.00 137.30 1ld4 s PRO 5218Ca 0.50 0.21 -0.06 0.00 0.04 0.00 0.00 61.00 61.69 1ld4 s PRO 5218Cb -0.32 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 31.76 1ld4 s PRO 5218CO 0.41 -0.09 0.02 0.42 0.04 0.00 0.00 177.00 177.80 1ld4 s ILE 5219N -2.55 4.20 0.16 0.56 1.01 0.39 -4.54 121.20 120.43 1ld4 s ILE 5219Ca 0.47 -0.23 0.06 0.00 0.00 0.00 0.00 60.65 60.95 1ld4 s ILE 5219Cb -0.10 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 1ld4 s ILE 5219CO 0.39 0.44 0.05 -0.04 0.00 0.00 0.00 174.94 175.79 1ld4 s MET 5220N 0.74 2.61 0.58 2.79 -1.94 0.82 -0.67 119.30 124.23 1ld4 s MET 5220Ca 0.01 -1.00 0.08 0.00 -1.71 0.00 0.00 55.69 53.07 1ld4 s MET 5220Cb -0.14 -2.48 0.08 0.00 2.01 0.00 0.00 34.83 34.29 1ld4 s MET 5220CO 0.02 0.47 0.65 0.16 -0.01 0.00 0.00 175.02 176.31 1ld4 s ASP 5221N -2.96 4.85 0.00 3.03 1.47 -0.69 -1.55 116.67 120.83 1ld4 s ASP 5221Ca 0.29 -1.08 0.11 0.00 1.18 0.00 0.00 52.55 53.05 1ld4 s ASP 5221Cb -0.10 0.48 0.63 0.00 -0.34 0.00 0.00 42.92 43.60 1ld4 s ASP 5221CO 0.20 -1.32 1.14 0.59 0.68 0.00 0.00 175.17 176.47 1ld4 n ASN 5222N -2.09 0.00 -0.36 2.11 3.02 -1.26 -2.37 115.26 114.31 1ld4 n ASN 5222Ca 0.09 -0.22 0.04 0.00 -0.03 0.00 0.00 54.58 54.46 1ld4 n ASN 5222Cb 0.63 -0.08 0.10 0.00 -0.61 0.00 0.00 39.78 39.83 1ld4 n ASN 5222CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1ld4 n SER 5223N -1.08 2.62 0.00 6.41 3.41 -1.26 -4.98 113.62 118.74 1ld4 n SER 5223Ca 0.07 -2.24 0.00 0.00 -0.26 0.00 0.00 58.87 56.45 1ld4 n SER 5223Cb 0.05 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1ld4 n SER 5223CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ld4 n GLY 5224N -0.21 0.44 3.93 5.00 0.00 -1.00 -5.04 105.19 108.31 1ld4 n GLY 5224Ca 0.09 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 1ld4 n GLY 5224CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ld4 s ARG 5225N -0.98 3.48 -0.10 1.61 0.52 -1.26 -4.68 118.95 117.55 1ld4 s ARG 5225Ca 0.00 -0.41 -0.21 0.00 -0.52 0.00 0.00 55.73 54.59 1ld4 s ARG 5225Cb 0.00 -2.94 -0.04 0.00 0.52 0.00 0.00 34.95 32.49 1ld4 s ARG 5225CO 0.00 0.52 0.59 0.08 0.02 0.00 0.00 175.30 176.51 1ld4 s VAL 5226N -1.68 5.11 -0.06 3.52 1.01 0.50 -1.70 120.40 127.10 1ld4 s VAL 5226Ca 0.36 1.20 0.14 0.00 0.00 0.00 0.00 61.98 63.69 1ld4 s VAL 5226Cb -0.12 -3.93 -0.22 0.00 0.00 0.00 0.00 36.38 32.11 1ld4 s VAL 5226CO 0.28 0.28 0.33 0.52 0.00 0.00 0.00 175.10 176.51 1ld4 n VAL 5227N 3.78 0.00 -3.61 2.92 0.31 0.15 -1.75 118.33 120.14 1ld4 n VAL 5227Ca -0.04 -0.32 -0.02 0.00 -0.01 0.00 0.00 64.34 63.95 1ld4 n VAL 5227Cb 0.51 0.23 -0.01 0.00 -0.91 0.00 0.00 33.84 33.65 1ld4 n VAL 5227CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ld4 s ALA 5228N -2.95 -2.15 -0.13 3.52 0.00 -1.21 -4.82 121.76 114.01 1ld4 s ALA 5228Ca -0.05 1.32 0.02 0.00 0.00 0.00 0.00 51.96 53.26 1ld4 s ALA 5228Cb 0.09 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.25 1ld4 s ALA 5228CO 0.59 -0.75 -0.20 0.42 0.00 0.00 0.00 175.76 175.82 1ld4 s ILE 5229N -2.38 1.90 -0.02 0.00 1.01 -0.17 -0.46 121.20 121.09 1ld4 s ILE 5229Ca 0.11 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.58 1ld4 s ILE 5229Cb 0.01 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 1ld4 s ILE 5229CO -0.04 0.52 1.17 -0.69 0.00 0.00 0.00 174.94 175.90 1ld4 s VAL 5230N 0.88 4.26 -0.13 2.92 1.01 -0.62 -0.15 120.40 128.57 1ld4 s VAL 5230Ca -0.07 1.60 0.12 0.00 0.00 0.00 0.00 61.98 63.64 1ld4 s VAL 5230Cb -0.15 -4.03 -0.17 0.00 0.00 0.00 0.00 36.38 32.03 1ld4 s VAL 5230CO -0.02 0.05 0.06 0.18 0.00 0.00 0.00 175.10 175.36 1ld4 n LEU 5231N 4.71 0.00 0.00 3.92 4.77 0.46 -1.00 117.00 129.86 1ld4 n LEU 5231Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1ld4 n LEU 5231Cb 0.47 0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 1ld4 n LEU 5231CO 0.55 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 1ld4 n GLY 5232N 2.15 -0.54 3.68 -0.72 0.00 -1.19 -3.35 105.19 105.22 1ld4 n GLY 5232Ca -0.21 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 1ld4 n GLY 5232CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ld4 s GLY 5233N 0.00 -0.12 -0.27 -0.02 0.00 -0.95 -1.17 107.32 104.78 1ld4 s GLY 5233Ca 0.00 -0.21 0.02 0.00 0.00 0.00 0.00 44.72 44.53 1ld4 s GLY 5233CO 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 173.10 172.94 1ld4 s ALA 5234N -3.89 2.24 -0.28 3.20 0.00 0.26 -0.61 121.76 122.68 1ld4 s ALA 5234Ca 0.10 -1.75 -0.28 0.00 0.00 0.00 0.00 51.96 50.03 1ld4 s ALA 5234Cb -0.03 -1.61 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 1ld4 s ALA 5234CO 0.02 -1.37 1.99 0.34 0.00 0.00 0.00 175.76 176.74 1ld4 s ASP 5235N 1.25 5.70 -0.53 0.00 3.68 -1.26 -0.59 116.67 124.91 1ld4 s ASP 5235Ca -0.01 1.58 0.01 0.00 2.13 0.00 0.00 52.55 56.26 1ld4 s ASP 5235Cb -0.19 -2.52 0.45 0.00 -1.45 0.00 0.00 42.92 39.22 1ld4 s ASP 5235CO -0.09 -1.82 1.73 -0.62 0.13 0.00 0.00 175.17 174.51 1ld4 n GLU 5236N 8.57 3.03 0.00 4.34 1.02 0.08 -4.97 120.64 132.71 1ld4 n GLU 5236Ca 0.26 -3.61 0.00 0.00 -0.02 0.00 0.00 57.16 53.79 1ld4 n GLU 5236Cb 0.46 -2.29 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 1ld4 n GLU 5236CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ld4 n GLY 5237N -0.84 0.87 0.13 0.62 0.00 -1.26 -3.92 105.19 100.78 1ld4 n GLY 5237Ca 0.56 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 46.35 1ld4 n GLY 5237CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ld4 h THR 5238N 0.00 1.13 -3.45 2.61 1.35 -1.99 -3.47 112.91 109.11 1ld4 h THR 5238Ca 0.00 -2.50 -0.36 0.00 -0.55 0.00 0.00 66.41 63.00 1ld4 h THR 5238Cb 0.00 2.87 -0.14 0.00 -1.73 0.00 0.00 68.15 69.15 1ld4 h THR 5238CO 0.00 0.76 -0.65 -0.13 -0.25 0.00 0.00 175.52 175.25 1ld4 s ARG 5239N -2.51 1.30 -0.24 4.72 0.52 -1.25 -3.98 118.95 117.50 1ld4 s ARG 5239Ca -0.16 -1.66 -0.04 0.00 -0.52 0.00 0.00 55.73 53.35 1ld4 s ARG 5239Cb 0.04 -0.51 0.00 0.00 0.52 0.00 0.00 34.95 35.00 1ld4 s ARG 5239CO 0.83 -0.12 -0.01 0.99 0.02 0.00 0.00 175.30 177.00 1ld4 s THR 5240N -3.50 3.43 0.00 0.02 2.01 0.02 -0.74 115.64 116.88 1ld4 s THR 5240Ca 0.28 -0.64 -0.22 0.00 0.31 0.00 0.00 61.69 61.42 1ld4 s THR 5240Cb 0.06 -2.65 -0.05 0.00 0.01 0.00 0.00 72.50 69.86 1ld4 s THR 5240CO 0.08 0.29 0.67 0.00 -0.69 0.00 0.00 174.62 174.97 1ld4 s ALA 5241N 1.46 3.42 0.09 7.40 0.00 0.24 -1.22 121.76 133.14 1ld4 s ALA 5241Ca 0.04 0.13 -0.08 0.00 0.00 0.00 0.00 51.96 52.05 1ld4 s ALA 5241Cb -0.15 -2.86 -0.06 0.00 0.00 0.00 0.00 23.12 20.05 1ld4 s ALA 5241CO -0.02 0.08 0.39 -0.51 0.00 0.00 0.00 175.76 175.70 1ld4 s LEU 5242N 0.03 4.33 -0.23 0.00 1.43 -0.25 0.90 118.68 124.88 1ld4 s LEU 5242Ca 0.35 0.72 -0.15 0.00 -1.03 0.00 0.00 54.13 54.02 1ld4 s LEU 5242Cb -0.19 -3.05 -0.04 0.00 0.03 0.00 0.00 46.19 42.94 1ld4 s LEU 5242CO 0.19 0.14 0.38 -0.55 0.23 0.00 0.00 176.35 176.75 1ld4 s SER 5243N -1.93 6.35 0.08 2.29 0.15 -0.32 -4.55 113.70 115.77 1ld4 s SER 5243Ca 0.35 0.40 0.02 0.00 0.70 0.00 0.00 55.95 57.42 1ld4 s SER 5243Cb -0.13 -2.22 -0.04 0.00 -1.71 0.00 0.00 66.02 61.92 1ld4 s SER 5243CO 0.19 -0.12 -0.07 0.68 1.20 0.00 0.00 173.24 175.12 1ld4 s VAL 5244N 1.65 0.65 -0.15 4.45 -7.23 -0.55 -0.40 120.40 118.82 1ld4 s VAL 5244Ca 0.17 -1.64 -0.04 0.00 -1.81 0.00 0.00 61.98 58.66 1ld4 s VAL 5244Cb -0.15 -1.31 -0.03 0.00 0.56 0.00 0.00 36.38 35.45 1ld4 s VAL 5244CO 0.09 -0.70 -0.03 -0.69 -0.31 0.00 0.00 175.10 173.45 1ld4 s VAL 5245N -2.84 3.95 0.36 1.32 1.01 0.79 -1.45 120.40 123.54 1ld4 s VAL 5245Ca 0.04 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 61.75 1ld4 s VAL 5245Cb -0.00 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 1ld4 s VAL 5245CO -0.03 0.50 0.23 0.42 0.00 0.00 0.00 175.10 176.22 1ld4 s THR 5246N 0.28 0.17 0.01 3.92 -4.23 -0.48 -0.99 115.64 114.32 1ld4 s THR 5246Ca -0.03 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.50 1ld4 s THR 5246Cb -0.14 -2.43 -0.01 0.00 1.34 0.00 0.00 72.50 71.26 1ld4 s THR 5246CO 0.03 0.00 -0.05 0.26 -0.54 0.00 0.00 174.62 174.32 1ld4 s TRP 5247N -3.36 0.42 0.30 3.99 0.51 -1.26 -0.88 118.94 118.67 1ld4 s TRP 5247Ca 0.35 -0.25 -0.01 0.00 -2.12 0.00 0.00 56.10 54.06 1ld4 s TRP 5247Cb 0.02 -0.26 0.06 0.00 -0.81 0.00 0.00 33.47 32.48 1ld4 s TRP 5247CO 0.24 -0.05 0.41 0.27 -0.51 0.00 0.00 176.95 177.31 1ld4 n ASN 5248N 2.36 0.42 -0.22 2.95 2.04 -0.53 -4.53 115.26 117.75 1ld4 n ASN 5248Ca -0.17 -1.39 0.10 0.00 -0.44 0.00 0.00 54.58 52.69 1ld4 n ASN 5248Cb 0.57 -0.28 0.39 0.00 -2.53 0.00 0.00 39.78 37.93 1ld4 n ASN 5248CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1ld4 h SER 5249N -0.33 0.61 0.29 0.53 0.02 -1.91 0.15 113.55 112.92 1ld4 h SER 5249Ca -0.14 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1ld4 h SER 5249Cb 0.47 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1ld4 h SER 5249CO 0.13 0.35 -0.02 0.29 -1.14 0.00 0.00 176.83 176.44 1ld4 n LYS 5250N -4.51 0.74 -0.70 3.45 4.76 -1.26 -4.89 118.16 115.75 1ld4 n LYS 5250Ca 0.14 -0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 1ld4 n LYS 5250Cb 0.38 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.07 1ld4 n LYS 5250CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ld4 n GLY 5251N 1.17 0.59 3.74 0.72 0.00 0.54 -5.04 105.19 106.90 1ld4 n GLY 5251Ca 0.18 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 1ld4 n GLY 5251CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ld4 s LYS 5252N -1.12 4.61 0.32 1.61 2.47 -1.26 -4.76 119.74 121.62 1ld4 s LYS 5252Ca 0.00 1.28 -0.29 0.00 -1.56 0.00 0.00 55.97 55.41 1ld4 s LYS 5252Cb 0.00 -3.36 -0.10 0.00 -1.46 0.00 0.00 37.83 32.91 1ld4 s LYS 5252CO 0.00 0.26 1.23 0.99 0.16 0.00 0.00 175.35 177.99 1ld4 s THR 5253N -0.09 2.98 0.01 3.43 2.01 -1.26 -1.46 115.64 121.26 1ld4 s THR 5253Ca 0.43 0.98 0.02 0.00 0.31 0.00 0.00 61.69 63.42 1ld4 s THR 5253Cb -0.22 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 1ld4 s THR 5253CO 0.27 0.22 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.73 1ld4 s ILE 5254N -1.17 0.43 -0.15 1.82 1.01 -0.05 -4.93 121.20 118.16 1ld4 s ILE 5254Ca 0.48 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 1ld4 s ILE 5254Cb -0.37 -0.41 0.04 0.00 0.01 0.00 0.00 42.46 41.73 1ld4 s ILE 5254CO 0.48 -0.03 -0.06 -0.75 0.00 0.00 0.00 174.94 174.59 1ld4 s LYS 5255N -0.52 1.41 -0.19 2.79 2.20 -1.26 -1.38 119.74 122.79 1ld4 s LYS 5255Ca -0.01 -0.40 -0.04 0.00 -0.36 0.00 0.00 55.97 55.15 1ld4 s LYS 5255Cb -0.04 -1.83 -0.02 0.00 -1.51 0.00 0.00 37.83 34.42 1ld4 s LYS 5255CO -0.00 -0.38 -0.02 0.99 -0.36 0.00 0.00 175.35 175.58 1ld4 s THR 5256N 1.68 3.83 -0.14 3.43 2.01 -0.53 -5.00 115.64 120.92 1ld4 s THR 5256Ca 0.02 -0.36 -0.01 0.00 0.31 0.00 0.00 61.69 61.65 1ld4 s THR 5256Cb -0.14 -2.71 0.04 0.00 0.01 0.00 0.00 72.50 69.69 1ld4 s THR 5256CO -0.08 0.45 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.36 1ld4 s THR 5257N 0.83 0.98 0.59 -0.82 2.01 -1.26 -1.48 115.64 116.49 1ld4 s THR 5257Ca -0.00 -0.45 -0.17 0.00 0.31 0.00 0.00 61.69 61.38 1ld4 s THR 5257Cb -0.14 -1.12 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 1ld4 s THR 5257CO 0.02 0.20 1.08 -2.84 -0.69 0.00 0.00 174.62 172.38 1ld4 s PRO 5258N 1.70 3.27 0.36 4.92 0.02 -1.26 -5.00 135.00 139.02 1ld4 s PRO 5258Ca 0.02 1.32 -0.27 0.00 0.02 0.00 0.00 61.00 62.09 1ld4 s PRO 5258Cb -0.14 -2.02 -0.09 0.00 0.02 0.00 0.00 34.50 32.27 1ld4 s PRO 5258CO -0.08 -0.87 1.27 -2.00 -0.33 0.00 0.00 177.00 174.99 1ld4 s GLU 5259N -3.86 4.21 0.00 5.54 2.12 -1.26 -2.48 118.70 122.97 1ld4 s GLU 5259Ca 0.66 2.10 0.00 0.00 0.36 0.00 0.00 54.97 58.09 1ld4 s GLU 5259Cb -0.18 -2.92 0.00 0.00 0.26 0.00 0.00 34.13 31.29 1ld4 s GLU 5259CO 0.34 -0.27 0.00 0.41 -0.54 0.00 0.00 175.26 175.20 1ld4 n GLY 5260N 0.76 0.75 3.74 -1.50 0.00 -1.26 -4.86 105.19 102.82 1ld4 n GLY 5260Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1ld4 n GLY 5260CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ld4 s THR 5261N -2.37 3.11 -0.18 2.61 2.01 -1.03 -4.39 115.64 115.40 1ld4 s THR 5261Ca 0.00 0.93 0.00 0.00 0.31 0.00 0.00 61.69 62.93 1ld4 s THR 5261Cb 0.00 -3.59 0.01 0.00 0.01 0.00 0.00 72.50 68.93 1ld4 s THR 5261CO 0.00 0.15 -0.16 -0.70 -0.69 0.00 0.00 174.62 173.21 1ld4 s GLU 5262N -0.26 3.10 -0.56 4.92 2.12 0.22 -4.94 118.70 123.31 1ld4 s GLU 5262Ca 0.56 -0.78 -0.27 0.00 0.36 0.00 0.00 54.97 54.84 1ld4 s GLU 5262Cb -0.37 -2.65 0.00 0.00 0.26 0.00 0.00 34.13 31.37 1ld4 s GLU 5262CO 0.40 -0.15 1.59 -1.21 -0.54 0.00 0.00 175.26 175.35 1ld4 s GLU 5263N 1.20 3.10 0.00 4.30 2.02 -1.26 -2.25 118.70 125.80 1ld4 s GLU 5263Ca 0.02 0.58 0.00 0.00 0.02 0.00 0.00 54.97 55.59 1ld4 s GLU 5263Cb -0.14 -4.22 0.00 0.00 0.10 0.00 0.00 34.13 29.87 1ld4 s GLU 5263CO -0.08 -2.18 0.24 0.91 0.02 0.00 0.00 175.26 174.17