#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f2i s TYR 5097N 0.00 3.13 -0.57 3.10 5.04 -1.26 -5.04 117.35 121.75 1f2i s TYR 5097Ca 0.00 -0.30 -0.24 0.00 -2.44 0.00 0.00 57.07 54.08 1f2i s TYR 5097Cb 0.00 -3.08 0.04 0.00 0.35 0.00 0.00 41.96 39.27 1f2i s TYR 5097CO 0.00 -0.78 0.98 0.14 -1.34 0.00 0.00 175.55 174.54 1f2i s VAL 5098N 2.37 4.33 0.08 3.14 -7.23 -1.26 -4.99 120.40 116.84 1f2i s VAL 5098Ca 0.15 0.26 -0.36 0.00 -1.81 0.00 0.00 61.98 60.22 1f2i s VAL 5098Cb -0.16 -4.58 -0.15 0.00 0.56 0.00 0.00 36.38 32.04 1f2i s VAL 5098CO 0.15 -1.20 1.49 0.52 -0.31 0.00 0.00 175.10 175.75 1f2i n VAL 5099N 6.20 0.06 -1.20 1.32 0.31 -1.26 -4.91 118.33 118.84 1f2i n VAL 5099Ca 0.02 -0.01 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 1f2i n VAL 5099Cb 0.47 -1.18 0.12 0.00 -0.91 0.00 0.00 33.84 32.34 1f2i n VAL 5099CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1f2i s PRO 5100N 1.07 1.81 0.29 5.55 0.02 -1.26 -4.99 135.00 137.48 1f2i s PRO 5100Ca 0.84 1.68 -0.20 0.00 0.02 0.00 0.00 61.00 63.34 1f2i s PRO 5100Cb -0.84 -1.80 -0.09 0.00 0.02 0.00 0.00 34.50 31.78 1f2i s PRO 5100CO 0.45 -2.07 0.80 0.15 -0.33 0.00 0.00 177.00 176.00 1f2i s LYS 5101N -4.17 4.26 0.23 5.54 1.02 -1.26 -5.06 119.74 120.30 1f2i s LYS 5101Ca 0.72 0.94 -0.18 0.00 0.02 0.00 0.00 55.97 57.47 1f2i s LYS 5101Cb -0.27 -2.68 0.02 0.00 -0.52 0.00 0.00 37.83 34.38 1f2i s LYS 5101CO 0.50 0.27 0.57 -1.64 -0.92 0.00 0.00 175.35 174.13 1f2i s MET 5102N -2.37 1.53 -0.41 1.68 -1.94 -1.26 -5.09 119.30 111.44 1f2i s MET 5102Ca 0.49 -0.96 0.07 0.00 -1.71 0.00 0.00 55.69 53.58 1f2i s MET 5102Cb -0.15 0.54 0.23 0.00 2.01 0.00 0.00 34.83 37.47 1f2i s MET 5102CO 0.20 -0.66 0.53 0.54 -0.01 0.00 0.00 175.02 175.61 1f2i n ARG 5103N -0.39 0.61 0.19 2.03 1.74 -1.26 -4.15 116.66 115.45 1f2i n ARG 5103Ca -0.07 -3.03 0.14 0.00 -0.77 0.00 0.00 57.85 54.13 1f2i n ARG 5103Cb 0.61 -1.33 0.60 0.00 -1.02 0.00 0.00 32.46 31.33 1f2i n ARG 5103CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1f2i h PRO 5104N 4.33 0.00 -4.12 5.56 0.11 -1.76 -3.40 132.00 132.73 1f2i h PRO 5104Ca 0.08 0.00 -0.76 0.00 0.11 0.00 0.00 66.00 65.44 1f2i h PRO 5104Cb 0.91 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 31.78 1f2i h PRO 5104CO 0.42 0.00 -0.18 0.71 -0.21 0.00 0.00 178.00 178.74 1f2i s TYR 5105N -3.50 3.26 0.00 0.65 2.02 -1.01 -4.96 117.35 113.82 1f2i s TYR 5105Ca 0.02 -1.30 -0.15 0.00 -0.37 0.00 0.00 57.07 55.27 1f2i s TYR 5105Cb 0.09 -3.82 -0.06 0.00 -0.40 0.00 0.00 41.96 37.78 1f2i s TYR 5105CO 0.43 -1.04 0.43 0.00 -1.57 0.00 0.00 175.55 173.80 1f2i s ALA 5106N 1.61 3.68 0.07 3.71 0.00 -1.26 -0.23 121.76 129.33 1f2i s ALA 5106Ca 0.04 -0.19 -0.31 0.00 0.00 0.00 0.00 51.96 51.51 1f2i s ALA 5106Cb -0.29 -2.42 -0.06 0.00 0.00 0.00 0.00 23.12 20.35 1f2i s ALA 5106CO 0.03 0.46 1.28 0.00 0.00 0.00 0.00 175.76 177.53 1f2i h PRO 5108N 6.95 0.00 -6.94 0.00 0.13 -1.91 -3.44 132.00 126.78 1f2i h PRO 5108Ca -0.41 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.19 1f2i h PRO 5108Cb 1.21 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.43 1f2i h PRO 5108CO 0.84 0.05 0.72 0.08 -0.23 0.00 0.00 178.00 179.45 1f2i s VAL 5109N -4.20 2.26 0.11 1.56 1.01 -1.26 -4.93 120.40 114.95 1f2i s VAL 5109Ca -0.03 0.25 -0.14 0.00 0.00 0.00 0.00 61.98 62.06 1f2i s VAL 5109Cb 0.13 -3.16 -0.07 0.00 0.00 0.00 0.00 36.38 33.28 1f2i s VAL 5109CO 0.52 0.05 1.44 -0.33 0.00 0.00 0.00 175.10 176.78 1f2i h GLU 5110N 2.91 0.77 0.00 2.72 5.08 -2.04 -3.15 114.58 120.86 1f2i h GLU 5110Ca -0.50 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 57.45 1f2i h GLU 5110Cb 1.24 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1f2i h GLU 5110CO 0.64 1.03 0.00 -1.13 -1.00 0.00 0.00 179.01 178.54 1f2i n SER 5111N -4.21 0.00 -4.49 1.42 3.41 -1.26 -4.73 113.62 103.76 1f2i n SER 5111Ca -0.03 0.50 -0.37 0.00 -0.26 0.00 0.00 58.87 58.71 1f2i n SER 5111Cb 0.49 -0.50 -0.12 0.00 -0.26 0.00 0.00 64.21 63.82 1f2i n SER 5111CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f2i n ASP 5113N 4.91 5.07 -4.75 0.00 8.00 -1.26 -4.63 116.55 123.88 1f2i n ASP 5113Ca -0.16 -2.86 -0.41 0.00 0.71 0.00 0.00 54.79 52.07 1f2i n ASP 5113Cb 0.52 -0.62 -0.02 0.00 -0.02 0.00 0.00 41.12 40.97 1f2i n ASP 5113CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1f2i s ARG 5114N -2.61 4.30 -0.00 -1.24 6.06 -1.26 -4.88 118.95 119.32 1f2i s ARG 5114Ca 0.50 2.27 0.03 0.00 -2.50 0.00 0.00 55.73 56.03 1f2i s ARG 5114Cb 0.38 -3.10 -0.01 0.00 0.06 0.00 0.00 34.95 32.28 1f2i s ARG 5114CO 0.15 -0.34 -0.09 1.03 -2.50 0.00 0.00 175.30 173.55 1f2i s ARG 5115N -0.89 0.73 0.34 5.12 0.52 -1.26 -1.14 118.95 122.37 1f2i s ARG 5115Ca 0.55 -0.37 0.07 0.00 -0.52 0.00 0.00 55.73 55.47 1f2i s ARG 5115Cb -0.41 -0.70 -0.07 0.00 0.52 0.00 0.00 34.95 34.30 1f2i s ARG 5115CO 0.47 0.19 -0.04 -0.06 0.02 0.00 0.00 175.30 175.88 1f2i s PHE 5116N -0.30 2.27 -0.06 -0.53 0.40 0.68 -4.94 117.98 115.50 1f2i s PHE 5116Ca 0.03 -0.66 0.04 0.00 -0.60 0.00 0.00 56.93 55.74 1f2i s PHE 5116Cb -0.04 -1.41 -0.25 0.00 0.51 0.00 0.00 43.02 41.83 1f2i s PHE 5116CO -0.00 0.40 0.62 0.77 0.70 0.00 0.00 175.22 177.70 1f2i h SER 5117N 2.03 0.20 -3.50 1.36 0.02 -1.88 -2.59 113.55 109.18 1f2i h SER 5117Ca -0.42 -0.40 -0.67 0.00 -0.84 0.00 0.00 61.79 59.46 1f2i h SER 5117Cb 1.24 -0.06 -0.30 0.00 0.14 0.00 0.00 62.40 63.42 1f2i h SER 5117CO 0.72 1.35 -0.83 -0.13 -1.14 0.00 0.00 176.83 176.81 1f2i s ARG 5118N -2.59 3.06 0.34 3.45 0.52 -1.26 -4.68 118.95 117.78 1f2i s ARG 5118Ca -0.11 -0.79 0.10 0.00 -0.52 0.00 0.00 55.73 54.41 1f2i s ARG 5118Cb 0.07 -2.41 0.87 0.00 0.52 0.00 0.00 34.95 34.00 1f2i s ARG 5118CO 0.81 0.26 1.79 1.03 0.02 0.00 0.00 175.30 179.22 1f2i h SER 5119N 6.49 0.65 0.15 0.23 0.87 -1.96 -1.14 113.55 118.85 1f2i h SER 5119Ca -0.26 0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 60.31 1f2i h SER 5119Cb 1.21 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 1f2i h SER 5119CO 0.51 0.22 -0.26 -2.24 -0.53 0.00 0.00 176.83 174.53 1f2i h ASP 5120N 0.63 0.18 -0.66 6.23 2.03 -1.99 -1.91 116.42 120.93 1f2i h ASP 5120Ca 0.56 -0.05 -0.06 0.00 -0.73 0.00 0.00 57.03 56.74 1f2i h ASP 5120Cb 1.05 -0.05 -0.03 0.00 -0.83 0.00 0.00 39.33 39.47 1f2i h ASP 5120CO -0.32 0.44 0.18 -0.33 -1.03 0.00 0.00 179.24 178.18 1f2i h GLU 5121N 0.17 1.06 -0.13 4.15 5.08 -1.64 -1.93 114.58 121.35 1f2i h GLU 5121Ca 0.03 -0.24 -0.17 0.00 -1.00 0.00 0.00 59.36 57.98 1f2i h GLU 5121Cb 0.55 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1f2i h GLU 5121CO 0.04 0.93 -0.63 1.25 -1.00 0.00 0.00 179.01 179.60 1f2i h LEU 5122N 1.02 0.54 -1.12 1.33 5.85 -1.34 -2.00 115.31 119.59 1f2i h LEU 5122Ca 0.22 -0.32 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 1f2i h LEU 5122Cb 0.33 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1f2i h LEU 5122CO -0.00 1.04 -0.11 0.74 -0.34 0.00 0.00 178.44 179.77 1f2i h THR 5123N 0.35 1.22 -0.17 1.05 2.02 -1.05 0.34 112.91 116.67 1f2i h THR 5123Ca -0.01 -0.98 -0.11 0.00 0.77 0.00 0.00 66.41 66.08 1f2i h THR 5123Cb 1.18 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 1f2i h THR 5123CO 0.11 0.32 -0.34 -0.09 0.37 0.00 0.00 175.52 175.90 1f2i h ARG 5124N 0.46 0.53 -0.85 6.66 2.43 -1.27 -3.19 114.38 119.16 1f2i h ARG 5124Ca 0.09 -0.34 -0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1f2i h ARG 5124Cb 0.47 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.02 1f2i h ARG 5124CO 0.03 0.95 0.51 1.25 -1.51 0.00 0.00 179.97 181.20 1f2i h HIS 5125N 0.18 1.11 0.00 2.20 2.76 -0.94 -1.93 115.15 118.54 1f2i h HIS 5125Ca 0.01 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1f2i h HIS 5125Cb 0.93 -0.37 -0.00 0.00 1.55 0.00 0.00 27.41 29.53 1f2i h HIS 5125CO 0.09 0.74 -0.00 0.82 -1.30 0.00 0.00 177.93 178.28 1f2i h ILE 5126N 1.16 0.30 0.00 6.26 2.04 -0.93 -0.16 117.51 126.18 1f2i h ILE 5126Ca 0.30 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 66.14 1f2i h ILE 5126Cb -0.05 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1f2i h ILE 5126CO -0.06 0.00 0.00 0.03 0.00 0.00 0.00 178.15 178.13 1f2i h ARG 5127N 0.00 0.00 0.57 2.37 3.08 -1.36 -2.78 114.38 116.25 1f2i h ARG 5127Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1f2i h ARG 5127Cb 0.02 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.07 1f2i h ARG 5127CO 0.00 0.00 -0.27 0.82 -1.07 0.00 0.00 179.97 179.45 1f2i h ILE 5128N 0.00 0.24 -0.98 2.04 2.04 -1.14 -0.86 117.51 118.84 1f2i h ILE 5128Ca 0.00 -0.39 0.19 0.00 1.00 0.00 0.00 64.86 65.65 1f2i h ILE 5128Cb 0.40 0.33 -0.11 0.00 -0.74 0.00 0.00 36.82 36.71 1f2i h ILE 5128CO 0.00 0.04 0.58 0.45 0.00 0.00 0.00 178.15 179.22 1f2i h HIS 5129N -1.08 1.02 0.00 1.37 3.86 -1.62 -1.11 115.15 117.60 1f2i h HIS 5129Ca -0.08 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1f2i h HIS 5129Cb 0.64 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.81 1f2i h HIS 5129CO 0.01 0.21 -0.31 0.25 0.86 0.00 0.00 177.93 178.95 1f2i n THR 5130N -4.79 0.35 -1.05 2.45 -2.24 -1.10 -4.93 114.28 102.98 1f2i n THR 5130Ca 0.23 -0.21 -0.02 0.00 -2.27 0.00 0.00 64.05 61.78 1f2i n THR 5130Cb 0.57 -0.29 -0.01 0.00 -2.10 0.00 0.00 70.33 68.50 1f2i n THR 5130CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1f2i n GLY 5131N 1.37 0.41 3.69 3.38 0.00 -0.36 -4.97 105.19 108.71 1f2i n GLY 5131Ca 0.05 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1f2i n GLY 5131CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1f2i n GLN 5132N -1.37 0.76 -2.77 1.61 6.02 -1.03 -4.98 117.38 115.61 1f2i n GLN 5132Ca -0.02 0.32 -0.10 0.00 -0.01 0.00 0.00 57.00 57.20 1f2i n GLN 5132Cb 0.25 -2.43 0.08 0.00 1.02 0.00 0.00 30.24 29.16 1f2i n GLN 5132CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1f2i n LYS 5133N -2.18 1.02 0.05 -1.09 5.02 -1.26 -4.32 118.16 115.39 1f2i n LYS 5133Ca 0.15 -2.07 0.02 0.00 -2.02 0.00 0.00 58.31 54.39 1f2i n LYS 5133Cb 0.49 -1.05 0.09 0.00 -0.02 0.00 0.00 35.03 34.54 1f2i n LYS 5133CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1f2i n PRO 5134N 0.31 0.02 -3.85 1.97 -0.02 -1.26 -4.35 135.00 127.81 1f2i n PRO 5134Ca 0.07 0.34 -0.36 0.00 -2.02 0.00 0.00 63.50 61.54 1f2i n PRO 5134Cb 0.70 -1.85 -0.13 0.00 -0.02 0.00 0.00 33.50 32.20 1f2i n PRO 5134CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1f2i s PHE 5135N -2.73 3.09 0.01 6.00 0.40 -1.22 -5.08 117.98 118.45 1f2i s PHE 5135Ca -0.00 -1.15 0.08 0.00 -0.60 0.00 0.00 56.93 55.26 1f2i s PHE 5135Cb 0.01 -2.16 -0.02 0.00 0.51 0.00 0.00 43.02 41.35 1f2i s PHE 5135CO 0.03 -0.62 -0.25 -1.14 0.70 0.00 0.00 175.22 173.94 1f2i s GLN 5136N 1.44 1.98 0.06 0.44 0.74 -1.26 -1.55 119.66 121.52 1f2i s GLN 5136Ca 0.02 -1.01 -0.30 0.00 0.05 0.00 0.00 55.36 54.13 1f2i s GLN 5136Cb -0.16 -2.03 -0.05 0.00 1.10 0.00 0.00 33.01 31.86 1f2i s GLN 5136CO -0.01 0.54 1.07 0.00 -0.55 0.00 0.00 175.29 176.35 1f2i n ARG 5138N 3.51 0.46 0.00 0.00 1.74 -1.26 -3.34 116.66 117.78 1f2i n ARG 5138Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1f2i n ARG 5138Cb 0.48 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 1f2i n ARG 5138CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1f2i n ILE 5139N -0.75 0.00 1.97 0.55 5.41 -1.26 -4.88 119.36 120.40 1f2i n ILE 5139Ca 0.06 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.85 1f2i n ILE 5139Cb 0.03 -0.37 0.27 0.00 -0.71 0.00 0.00 39.64 38.86 1f2i n ILE 5139CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1f2i n MET 5141N -0.61 -6.13 -4.01 0.00 1.56 -1.21 -5.00 117.12 101.72 1f2i n MET 5141Ca 0.07 0.66 -0.27 0.00 -0.27 0.00 0.00 57.70 57.89 1f2i n MET 5141Cb 0.04 -5.58 -0.05 0.00 2.15 0.00 0.00 33.22 29.79 1f2i n MET 5141CO 0.00 0.00 0.00 0.50 -0.73 0.00 0.00 175.97 175.74 1f2i s ARG 5142N -6.51 3.15 0.00 2.12 3.52 -1.26 -4.88 118.95 115.10 1f2i s ARG 5142Ca 0.61 -0.69 0.01 0.00 -0.13 0.00 0.00 55.73 55.53 1f2i s ARG 5142Cb -0.30 -2.82 -0.04 0.00 -1.56 0.00 0.00 34.95 30.24 1f2i s ARG 5142CO 0.80 0.53 0.01 -0.80 -0.81 0.00 0.00 175.30 175.03 1f2i s ASN 5143N -2.97 5.20 -0.04 -2.12 0.01 -1.26 -2.09 114.94 111.67 1f2i s ASN 5143Ca 0.32 0.01 -0.05 0.00 -0.71 0.00 0.00 52.86 52.44 1f2i s ASN 5143Cb -0.11 -1.38 0.01 0.00 0.41 0.00 0.00 41.25 40.18 1f2i s ASN 5143CO 0.26 0.27 0.13 -0.36 -1.51 0.00 0.00 177.10 175.89 1f2i s PHE 5144N -1.11 -0.12 0.02 2.20 0.40 -0.59 -5.04 117.98 113.74 1f2i s PHE 5144Ca 0.20 0.30 -0.29 0.00 -0.60 0.00 0.00 56.93 56.54 1f2i s PHE 5144Cb -0.12 0.04 -0.16 0.00 0.51 0.00 0.00 43.02 43.29 1f2i s PHE 5144CO 0.11 -0.08 1.19 0.66 0.70 0.00 0.00 175.22 177.80 1f2i h SER 5145N 5.83 -0.88 -3.59 1.36 4.64 -1.83 -3.23 113.55 115.84 1f2i h SER 5145Ca -0.25 0.03 -0.49 0.00 -0.47 0.00 0.00 61.79 60.61 1f2i h SER 5145Cb 1.20 0.23 0.04 0.00 -0.31 0.00 0.00 62.40 63.56 1f2i h SER 5145CO 0.43 -0.51 0.12 -0.13 -0.87 0.00 0.00 176.83 175.87 1f2i s ARG 5146N -4.93 3.52 -0.00 4.77 0.52 -1.26 -4.38 118.95 117.19 1f2i s ARG 5146Ca -0.15 0.21 -0.05 0.00 -0.52 0.00 0.00 55.73 55.22 1f2i s ARG 5146Cb 0.02 -2.36 -0.03 0.00 0.52 0.00 0.00 34.95 33.09 1f2i s ARG 5146CO 0.46 -0.23 0.64 0.77 0.02 0.00 0.00 175.30 176.95 1f2i h SER 5147N 0.19 -0.16 -0.97 0.23 0.02 -1.98 -3.24 113.55 107.65 1f2i h SER 5147Ca -0.47 0.01 0.40 0.00 -0.84 0.00 0.00 61.79 60.89 1f2i h SER 5147Cb 1.21 0.04 -0.17 0.00 0.14 0.00 0.00 62.40 63.61 1f2i h SER 5147CO 0.62 -0.06 0.51 -0.90 -1.14 0.00 0.00 176.83 175.85 1f2i n ASP 5148N -2.79 0.32 -0.11 3.07 5.75 -1.26 -0.37 116.55 121.17 1f2i n ASP 5148Ca -0.02 1.61 -0.10 0.00 -0.01 0.00 0.00 54.79 56.26 1f2i n ASP 5148Cb 0.07 -0.78 -0.03 0.00 -1.03 0.00 0.00 41.12 39.36 1f2i n ASP 5148CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 1f2i h HIS 5149N 0.00 0.54 -0.17 2.11 3.86 -1.99 -1.97 115.15 117.53 1f2i h HIS 5149Ca 0.82 -0.07 -0.17 0.00 -1.16 0.00 0.00 60.37 59.79 1f2i h HIS 5149Cb 2.15 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 30.46 1f2i h HIS 5149CO -0.03 0.57 -0.59 1.25 0.86 0.00 0.00 177.93 179.99 1f2i h LEU 5150N 0.35 0.61 -1.47 2.43 5.85 -0.73 -2.35 115.31 120.01 1f2i h LEU 5150Ca 0.10 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1f2i h LEU 5150Cb 0.31 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1f2i h LEU 5150CO 0.00 1.07 0.00 0.74 -0.34 0.00 0.00 178.44 179.91 1f2i h THR 5151N 0.41 0.00 0.00 1.05 2.02 -1.09 -0.00 112.91 115.30 1f2i h THR 5151Ca -0.00 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 1f2i h THR 5151Cb 1.15 1.27 -0.00 0.00 -1.74 0.00 0.00 68.15 68.82 1f2i h THR 5151CO 0.11 0.00 -0.11 0.74 0.37 0.00 0.00 175.52 176.63 1f2i h THR 5152N 0.00 0.83 -0.41 3.16 2.02 -1.02 -3.37 112.91 114.13 1f2i h THR 5152Ca 0.00 -1.66 -0.00 0.00 0.77 0.00 0.00 66.41 65.52 1f2i h THR 5152Cb 0.39 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 1f2i h THR 5152CO 0.00 0.28 0.24 -0.74 0.37 0.00 0.00 175.52 175.67 1f2i h HIS 5153N -1.00 0.55 -1.08 3.16 -0.00 -1.33 -2.69 115.15 112.75 1f2i h HIS 5153Ca -0.02 -0.00 0.31 0.00 -0.00 0.00 0.00 60.37 60.66 1f2i h HIS 5153Cb 0.55 -0.18 -0.04 0.00 -0.00 0.00 0.00 27.41 27.73 1f2i h HIS 5153CO 0.11 0.39 1.09 0.82 -0.00 0.00 0.00 177.93 180.35 1f2i h ILE 5154N 0.54 0.09 0.00 6.26 2.04 -1.15 0.36 117.51 125.65 1f2i h ILE 5154Ca 0.15 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.91 1f2i h ILE 5154Cb 0.01 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.23 1f2i h ILE 5154CO -0.03 0.00 -0.74 0.08 0.00 0.00 0.00 178.15 177.46 1f2i h ARG 5155N 0.00 0.00 0.00 2.37 0.11 -1.64 -3.28 114.38 111.94 1f2i h ARG 5155Ca 0.51 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.59 1f2i h ARG 5155Cb 2.69 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.77 1f2i h ARG 5155CO -0.01 0.32 0.16 2.41 0.10 0.00 0.00 179.97 182.95 1f2i n THR 5156N -3.06 1.33 0.00 0.08 -1.04 0.13 -3.03 114.28 108.69 1f2i n THR 5156Ca -0.01 0.53 0.00 0.00 -2.04 0.00 0.00 64.05 62.53 1f2i n THR 5156Cb 0.72 -1.53 0.00 0.00 -1.82 0.00 0.00 70.33 67.70 1f2i n THR 5156CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1f2i n HIS 5157N -1.44 0.00 0.64 -1.42 8.25 -1.23 -5.17 115.22 114.84 1f2i n HIS 5157Ca -0.00 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.54 1f2i n HIS 5157Cb 0.16 -0.05 0.06 0.00 1.12 0.00 0.00 29.99 31.29 1f2i n HIS 5157CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23