#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a49 s GLN 4813N 0.00 4.32 -0.18 0.38 -1.52 -1.26 -5.05 119.66 116.34 1a49 s GLN 4813Ca 0.00 0.69 -0.15 0.00 -1.95 0.00 0.00 55.36 53.95 1a49 s GLN 4813Cb 0.00 -3.36 0.05 0.00 -0.22 0.00 0.00 33.01 29.48 1a49 s GLN 4813CO 0.00 0.32 0.48 -0.08 -0.25 0.00 0.00 175.29 175.76 1a49 s THR 4814N -0.01 -0.00 -1.46 -0.19 -1.32 -1.26 -0.92 115.64 110.48 1a49 s THR 4814Ca 0.31 0.02 -0.07 0.00 -1.21 0.00 0.00 61.69 60.74 1a49 s THR 4814Cb -0.18 -0.68 0.03 0.00 -1.51 0.00 0.00 72.50 70.17 1a49 s THR 4814CO 0.16 0.01 0.58 0.00 -2.21 0.00 0.00 174.62 173.16 1a49 n GLN 4815N 3.13 -4.46 -1.99 7.08 6.02 0.26 -0.76 117.38 126.66 1a49 n GLN 4815Ca -0.15 0.75 -0.08 0.00 -0.01 0.00 0.00 57.00 57.51 1a49 n GLN 4815Cb 0.57 -5.57 -0.02 0.00 1.02 0.00 0.00 30.24 26.24 1a49 n GLN 4815CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1a49 n GLN 4816N -3.96 -1.99 0.26 -1.09 1.13 -1.26 -4.78 117.38 105.68 1a49 n GLN 4816Ca -0.07 0.42 0.18 0.00 -1.94 0.00 0.00 57.00 55.59 1a49 n GLN 4816Cb 0.59 -4.83 0.88 0.00 0.11 0.00 0.00 30.24 26.99 1a49 n GLN 4816CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1a49 h LEU 4817N 0.00 0.00 0.18 1.08 3.38 -1.27 0.12 115.31 118.81 1a49 h LEU 4817Ca -0.18 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.47 1a49 h LEU 4817Cb 0.91 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.67 1a49 h LEU 4817CO 0.23 0.00 -1.53 -0.74 0.09 0.00 0.00 178.44 176.49 1a49 h HIS 4818N 0.00 0.71 0.00 1.13 2.76 -1.87 -3.03 115.15 114.85 1a49 h HIS 4818Ca 0.06 -0.52 -0.03 0.00 -2.20 0.00 0.00 60.37 57.68 1a49 h HIS 4818Cb 0.57 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.49 1a49 h HIS 4818CO 0.00 1.59 -0.16 0.00 -1.30 0.00 0.00 177.93 178.06 1a49 h ALA 4819N 0.08 1.69 -0.00 5.26 0.00 -1.33 -1.62 119.26 123.34 1a49 h ALA 4819Ca -0.30 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1a49 h ALA 4819Cb 2.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.76 1a49 h ALA 4819CO 0.17 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.62 1a49 h ALA 4820N 1.84 1.59 -0.00 0.00 0.00 -0.70 -1.85 119.26 120.13 1a49 h ALA 4820Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a49 h ALA 4820Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1a49 h ALA 4820CO 0.02 -0.00 -0.24 -1.33 0.00 0.00 0.00 179.25 177.70 1a49 n MET 4821N -3.94 0.45 -1.16 0.00 2.81 -0.61 -4.78 117.12 109.90 1a49 n MET 4821Ca -0.03 -0.21 -0.35 0.00 -1.81 0.00 0.00 57.70 55.30 1a49 n MET 4821Cb 0.08 -1.50 0.10 0.00 -0.71 0.00 0.00 33.22 31.20 1a49 n MET 4821CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a49 n ALA 4822N -1.09 -0.87 -0.07 3.04 0.00 -0.70 -5.00 120.51 115.82 1a49 n ALA 4822Ca 0.10 -0.32 -0.10 0.00 0.00 0.00 0.00 53.44 53.13 1a49 n ALA 4822Cb 0.32 -2.04 -0.06 0.00 0.00 0.00 0.00 19.45 17.66 1a49 n ALA 4822CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1a49 h ASP 4823N -0.72 0.00 -2.32 0.00 2.03 -1.93 -3.47 116.42 110.01 1a49 h ASP 4823Ca -0.46 -0.34 -0.49 0.00 -0.73 0.00 0.00 57.03 55.01 1a49 h ASP 4823Cb 1.32 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.80 1a49 h ASP 4823CO 0.43 0.95 -0.46 0.42 -1.03 0.00 0.00 179.24 179.55 1a49 s THR 4824N -2.11 5.17 0.25 1.15 -4.23 -1.26 -5.00 115.64 109.62 1a49 s THR 4824Ca -0.16 -0.94 -0.05 0.00 -1.18 0.00 0.00 61.69 59.37 1a49 s THR 4824Cb 0.02 -3.76 0.25 0.00 1.34 0.00 0.00 72.50 70.35 1a49 s THR 4824CO 0.36 -0.25 1.89 0.15 -0.54 0.00 0.00 174.62 176.24 1a49 h PHE 4825N 1.55 1.18 -0.27 3.99 3.57 -1.99 0.13 116.94 125.09 1a49 h PHE 4825Ca -0.50 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.04 1a49 h PHE 4825Cb 1.22 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 1a49 h PHE 4825CO 0.49 0.66 0.13 1.25 -2.23 0.00 0.00 178.31 178.61 1a49 h LEU 4826N 1.21 0.19 -0.76 0.59 5.85 -1.99 0.12 115.31 120.52 1a49 h LEU 4826Ca 0.39 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 59.08 1a49 h LEU 4826Cb 0.04 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1a49 h LEU 4826CO -0.13 0.14 0.29 -0.33 -0.34 0.00 0.00 178.44 178.07 1a49 h GLU 4827N 0.27 1.15 -0.30 1.25 4.39 -1.78 0.10 114.58 119.67 1a49 h GLU 4827Ca 0.11 -0.22 0.06 0.00 0.34 0.00 0.00 59.36 59.65 1a49 h GLU 4827Cb 0.04 -0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 28.46 1a49 h GLU 4827CO -0.08 0.94 -0.03 1.25 -1.16 0.00 0.00 179.01 179.94 1a49 h HIS 4828N 1.11 -0.07 -0.53 4.33 2.76 0.03 -1.47 115.15 121.30 1a49 h HIS 4828Ca 0.25 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.49 1a49 h HIS 4828Cb 0.24 0.08 -0.05 0.00 1.55 0.00 0.00 27.41 29.23 1a49 h HIS 4828CO 0.02 -0.08 0.27 0.52 -1.30 0.00 0.00 177.93 177.36 1a49 h MET 4829N 0.06 0.50 0.00 5.26 2.86 0.03 -1.10 114.93 122.53 1a49 h MET 4829Ca 0.14 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1a49 h MET 4829Cb 0.20 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.75 1a49 h MET 4829CO -0.27 0.33 -0.00 0.00 1.06 0.00 0.00 176.91 178.03 1a49 n ARG 4831N -3.78 2.49 -2.17 0.00 1.74 -0.43 -4.98 116.66 109.53 1a49 n ARG 4831Ca -0.03 -2.25 -0.42 0.00 -0.77 0.00 0.00 57.85 54.39 1a49 n ARG 4831Cb 0.08 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 29.98 1a49 n ARG 4831CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1a49 s LEU 4832N -1.50 4.39 -0.15 0.55 1.43 -0.81 -4.26 118.68 118.33 1a49 s LEU 4832Ca 0.39 2.40 0.01 0.00 -1.03 0.00 0.00 54.13 55.89 1a49 s LEU 4832Cb 0.23 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.87 1a49 s LEU 4832CO 0.32 -0.61 -0.15 -0.62 0.23 0.00 0.00 176.35 175.51 1a49 s ASP 4833N 0.71 2.72 0.34 2.29 -1.08 -1.26 -4.98 116.67 115.42 1a49 s ASP 4833Ca 0.61 -0.50 0.27 0.00 -0.52 0.00 0.00 52.55 52.40 1a49 s ASP 4833Cb -0.37 -1.22 1.12 0.00 -1.46 0.00 0.00 42.92 40.99 1a49 s ASP 4833CO 0.35 -0.03 1.79 0.16 0.52 0.00 0.00 175.17 177.96 1a49 h ILE 4834N 6.01 0.00 -0.65 4.11 3.07 -2.04 -1.38 117.51 126.64 1a49 h ILE 4834Ca -0.38 -0.28 0.00 0.00 1.55 0.00 0.00 64.86 65.75 1a49 h ILE 4834Cb 1.14 1.07 0.00 0.00 -0.27 0.00 0.00 36.82 38.77 1a49 h ILE 4834CO 0.54 0.00 0.00 0.47 -1.05 0.00 0.00 178.15 178.11 1a49 n ASP 4835N -2.47 3.80 -4.66 2.16 8.00 -1.26 -4.84 116.55 117.28 1a49 n ASP 4835Ca 0.01 -2.00 -0.39 0.00 0.71 0.00 0.00 54.79 53.13 1a49 n ASP 4835Cb 0.23 -0.43 -0.07 0.00 -0.02 0.00 0.00 41.12 40.83 1a49 n ASP 4835CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1a49 s SER 4836N -1.11 6.50 -0.00 -2.24 0.15 -0.52 -4.68 113.70 111.79 1a49 s SER 4836Ca 0.47 0.60 -0.24 0.00 0.70 0.00 0.00 55.95 57.47 1a49 s SER 4836Cb 0.25 -2.27 -0.05 0.00 -1.71 0.00 0.00 66.02 62.24 1a49 s SER 4836CO 0.33 -0.16 0.74 0.00 1.20 0.00 0.00 173.24 175.34 1a49 s ALA 4837N 1.64 3.36 0.64 5.45 0.00 -0.10 -4.41 121.76 128.34 1a49 s ALA 4837Ca 0.22 0.22 -0.08 0.00 0.00 0.00 0.00 51.96 52.32 1a49 s ALA 4837Cb -0.15 -2.97 0.02 0.00 0.00 0.00 0.00 23.12 20.01 1a49 s ALA 4837CO 0.09 0.00 0.98 -1.25 0.00 0.00 0.00 175.76 175.58 1a49 s PRO 4838N 0.29 2.83 0.92 0.00 0.04 -1.26 0.90 135.00 138.72 1a49 s PRO 4838Ca 0.38 0.14 -0.15 0.00 0.04 0.00 0.00 61.00 61.42 1a49 s PRO 4838Cb -0.19 -2.17 0.21 0.00 0.04 0.00 0.00 34.50 32.39 1a49 s PRO 4838CO 0.21 -0.87 1.26 0.44 0.04 0.00 0.00 177.00 178.07 1a49 n ILE 4839N -2.77 0.00 0.10 0.56 -5.35 -1.26 -4.84 119.36 105.80 1a49 n ILE 4839Ca 0.06 -0.98 -0.21 0.00 -0.27 0.00 0.00 62.75 61.35 1a49 n ILE 4839Cb 0.58 -1.48 -0.15 0.00 -1.74 0.00 0.00 39.64 36.84 1a49 n ILE 4839CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1a49 h THR 4840N -1.66 1.20 -3.01 7.28 1.35 -1.97 -3.46 112.91 112.64 1a49 h THR 4840Ca -0.41 -2.74 -0.53 0.00 -0.55 0.00 0.00 66.41 62.18 1a49 h THR 4840Cb 1.14 2.88 0.01 0.00 -1.73 0.00 0.00 68.15 70.46 1a49 h THR 4840CO 0.30 0.84 0.73 0.00 -0.25 0.00 0.00 175.52 177.13 1a49 s ALA 4841N -2.61 3.55 -0.22 6.62 0.00 -1.26 -5.01 121.76 122.83 1a49 s ALA 4841Ca -0.10 1.00 -0.04 0.00 0.00 0.00 0.00 51.96 52.82 1a49 s ALA 4841Cb 0.06 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 1a49 s ALA 4841CO 0.89 -0.67 -0.04 0.50 0.00 0.00 0.00 175.76 176.44 1a49 s ARG 4842N 1.49 3.40 0.10 0.00 3.00 -1.26 -4.95 118.95 120.73 1a49 s ARG 4842Ca 0.63 -0.62 0.17 0.00 -1.00 0.00 0.00 55.73 54.92 1a49 s ARG 4842Cb -0.34 -3.02 -0.10 0.00 0.00 0.00 0.00 34.95 31.50 1a49 s ARG 4842CO 0.29 -0.18 0.91 -0.91 0.00 0.00 0.00 175.30 175.42 1a49 h ASN 4843N 8.05 0.00 -2.98 -2.12 -0.26 -1.95 -3.45 115.58 112.87 1a49 h ASN 4843Ca -0.41 0.00 -0.56 0.00 -0.56 0.00 0.00 56.30 54.77 1a49 h ASN 4843Cb 1.16 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.39 1a49 h ASN 4843CO 0.60 0.49 0.82 -0.89 -1.06 0.00 0.00 177.43 177.39 1a49 s THR 4844N -2.99 4.28 0.53 2.81 2.01 -1.26 0.99 115.64 122.01 1a49 s THR 4844Ca -0.02 1.57 -0.21 0.00 0.31 0.00 0.00 61.69 63.35 1a49 s THR 4844Cb 0.09 -4.01 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 1a49 s THR 4844CO 0.80 -0.09 1.20 -0.83 -0.69 0.00 0.00 174.62 175.01 1a49 s GLY 4845N 1.77 2.75 -0.21 4.40 0.00 -0.97 -4.84 107.32 110.22 1a49 s GLY 4845Ca 0.55 0.99 -0.03 0.00 0.00 0.00 0.00 44.72 46.24 1a49 s GLY 4845CO 0.17 1.42 -0.08 -0.42 0.00 0.00 0.00 173.10 174.19 1a49 s ILE 4846N -1.57 3.06 -0.30 0.90 1.01 -1.26 -1.73 121.20 121.32 1a49 s ILE 4846Ca 0.71 -0.62 -0.10 0.00 0.00 0.00 0.00 60.65 60.64 1a49 s ILE 4846Cb -0.30 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 39.76 1a49 s ILE 4846CO 0.34 0.43 0.17 -0.63 0.00 0.00 0.00 174.94 175.26 1a49 s ILE 4847N 1.43 4.94 -0.11 2.92 1.01 -0.39 -0.67 121.20 130.33 1a49 s ILE 4847Ca 0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 60.65 60.56 1a49 s ILE 4847Cb -0.14 -3.43 -0.02 0.00 0.01 0.00 0.00 42.46 38.87 1a49 s ILE 4847CO -0.05 0.15 -0.10 0.00 0.00 0.00 0.00 174.94 174.94 1a49 s THR 4849N 0.03 4.68 0.06 0.00 2.01 -0.73 0.61 115.64 122.30 1a49 s THR 4849Ca -0.03 0.90 -0.30 0.00 0.31 0.00 0.00 61.69 62.57 1a49 s THR 4849Cb -0.14 -4.25 -0.05 0.00 0.01 0.00 0.00 72.50 68.06 1a49 s THR 4849CO 0.04 -0.50 1.12 -0.63 -0.69 0.00 0.00 174.62 173.96 1a49 s ILE 4850N 3.22 4.25 0.00 1.82 -1.09 -0.99 -2.26 121.20 126.15 1a49 s ILE 4850Ca 0.33 1.66 0.00 0.00 -2.23 0.00 0.00 60.65 60.41 1a49 s ILE 4850Cb -0.13 -4.06 0.00 0.00 -1.58 0.00 0.00 42.46 36.69 1a49 s ILE 4850CO 0.18 0.16 0.00 0.61 -1.23 0.00 0.00 174.94 174.66 1a49 n GLY 4851N 2.93 4.13 0.36 6.18 0.00 -1.22 -4.81 105.19 112.77 1a49 n GLY 4851Ca 0.07 -1.58 0.17 0.00 0.00 0.00 0.00 46.02 44.67 1a49 n GLY 4851CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a49 h PRO 4852N 0.00 0.08 0.00 1.61 0.13 -1.64 1.19 132.00 133.38 1a49 h PRO 4852Ca 0.00 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1a49 h PRO 4852Cb 0.00 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.11 1a49 h PRO 4852CO 0.00 0.05 0.00 0.00 -0.23 0.00 0.00 178.00 177.82 1a49 n ALA 4853N -2.60 2.07 -1.06 -0.56 0.00 -0.38 -4.19 120.51 113.79 1a49 n ALA 4853Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1a49 n ALA 4853Cb 0.48 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1a49 n ALA 4853CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1a49 n SER 4854N -1.88 0.00 0.03 0.00 3.41 0.34 -4.87 113.62 110.65 1a49 n SER 4854Ca 0.05 -1.00 0.08 0.00 -0.26 0.00 0.00 58.87 57.74 1a49 n SER 4854Cb 0.32 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.62 1a49 n SER 4854CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1a49 n ARG 4855N 0.00 0.04 -2.28 4.33 1.85 0.26 -4.06 116.66 116.80 1a49 n ARG 4855Ca 0.00 0.28 -0.40 0.00 -1.00 0.00 0.00 57.85 56.73 1a49 n ARG 4855Cb 0.33 -1.58 -0.03 0.00 -1.05 0.00 0.00 32.46 30.14 1a49 n ARG 4855CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1a49 s SER 4856N -3.26 6.80 0.45 2.89 1.04 -1.26 -4.78 113.70 115.58 1a49 s SER 4856Ca 0.07 2.44 0.19 0.00 0.48 0.00 0.00 55.95 59.13 1a49 s SER 4856Cb 0.10 -2.63 1.16 0.00 0.10 0.00 0.00 66.02 64.75 1a49 s SER 4856CO 0.30 -0.49 1.90 0.58 0.98 0.00 0.00 173.24 176.51 1a49 h VAL 4857N 2.76 0.71 -0.01 5.02 2.07 -1.87 -0.74 116.25 124.19 1a49 h VAL 4857Ca -0.48 -0.11 -0.24 0.00 0.82 0.00 0.00 66.70 66.69 1a49 h VAL 4857Cb 1.23 0.37 0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1a49 h VAL 4857CO 0.65 0.06 -0.96 -0.33 0.02 0.00 0.00 177.57 177.00 1a49 h GLU 4858N 0.31 0.54 -0.42 1.57 4.39 -1.94 -2.14 114.58 116.90 1a49 h GLU 4858Ca 0.40 -0.56 -0.14 0.00 0.34 0.00 0.00 59.36 59.40 1a49 h GLU 4858Cb 1.09 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 1a49 h GLU 4858CO -0.11 1.19 -0.28 1.15 -1.16 0.00 0.00 179.01 179.79 1a49 h THR 4859N 0.31 1.27 -0.72 1.13 2.02 -1.72 -2.96 112.91 112.24 1a49 h THR 4859Ca -0.09 -1.45 0.04 0.00 0.77 0.00 0.00 66.41 65.68 1a49 h THR 4859Cb 1.60 1.25 -0.05 0.00 -1.74 0.00 0.00 68.15 69.21 1a49 h THR 4859CO 0.18 0.49 0.44 -0.07 0.37 0.00 0.00 175.52 176.93 1a49 h LEU 4860N 0.77 0.71 -0.92 2.58 3.38 -1.03 0.56 115.31 121.36 1a49 h LEU 4860Ca 0.09 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1a49 h LEU 4860Cb 0.85 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1a49 h LEU 4860CO 0.08 0.48 0.24 0.11 0.09 0.00 0.00 178.44 179.43 1a49 h LYS 4861N 0.84 1.02 -0.46 1.13 1.57 -1.36 0.11 116.57 119.43 1a49 h LYS 4861Ca 0.30 -0.19 -0.10 0.00 -1.87 0.00 0.00 60.65 58.79 1a49 h LYS 4861Cb 0.08 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1a49 h LYS 4861CO -0.13 0.86 -0.12 0.93 -0.57 0.00 0.00 179.45 180.41 1a49 h GLU 4862N 0.99 0.85 -0.36 3.15 4.39 -0.79 -0.94 114.58 121.87 1a49 h GLU 4862Ca 0.22 -0.30 0.06 0.00 0.34 0.00 0.00 59.36 59.68 1a49 h GLU 4862Cb 0.24 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.78 1a49 h GLU 4862CO -0.01 0.93 0.05 0.52 -1.16 0.00 0.00 179.01 179.34 1a49 h MET 4863N 0.76 0.16 0.24 2.33 2.86 0.15 0.32 114.93 121.75 1a49 h MET 4863Ca 0.12 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1a49 h MET 4863Cb 0.63 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.26 1a49 h MET 4863CO 0.04 0.11 -0.11 0.82 1.06 0.00 0.00 176.91 178.83 1a49 h ILE 4864N 0.17 0.79 -0.46 -1.22 2.04 -0.60 -1.19 117.51 117.04 1a49 h ILE 4864Ca 0.17 -0.13 0.09 0.00 1.00 0.00 0.00 64.86 65.99 1a49 h ILE 4864Cb 0.21 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1a49 h ILE 4864CO -0.25 0.03 0.32 0.11 0.00 0.00 0.00 178.15 178.36 1a49 h LYS 4865N -0.39 0.23 0.00 2.37 1.57 -0.61 -1.09 116.57 118.66 1a49 h LYS 4865Ca -0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1a49 h LYS 4865Cb 0.30 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1a49 h LYS 4865CO 0.05 0.15 0.00 0.43 -0.57 0.00 0.00 179.45 179.52 1a49 n SER 4866N -4.46 0.51 0.00 0.86 7.64 0.11 -4.89 113.62 113.39 1a49 n SER 4866Ca 0.07 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.53 1a49 n SER 4866Cb 0.36 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 1a49 n SER 4866CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a49 n GLY 4867N 0.73 0.36 3.71 0.23 0.00 -0.41 -4.45 105.19 105.36 1a49 n GLY 4867Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1a49 n GLY 4867CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1a49 s MET 4868N 0.00 4.27 -0.10 1.61 -2.45 -0.50 -4.52 119.30 117.61 1a49 s MET 4868Ca 0.00 2.20 0.13 0.00 -1.25 0.00 0.00 55.69 56.77 1a49 s MET 4868Cb 0.00 -3.23 -0.19 0.00 1.25 0.00 0.00 34.83 32.66 1a49 s MET 4868CO 0.00 -0.52 0.12 0.09 1.05 0.00 0.00 175.02 175.76 1a49 n ASN 4869N 4.06 1.61 -3.83 1.11 5.03 0.16 -4.68 115.26 118.71 1a49 n ASN 4869Ca 0.13 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.45 1a49 n ASN 4869Cb 0.41 1.06 -0.15 0.00 -1.02 0.00 0.00 39.78 40.09 1a49 n ASN 4869CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1a49 s VAL 4870N -2.52 -0.02 -0.43 2.41 1.01 -0.79 -2.42 120.40 117.63 1a49 s VAL 4870Ca -0.06 0.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.84 1a49 s VAL 4870Cb 0.06 -0.06 0.04 0.00 0.00 0.00 0.00 36.38 36.42 1a49 s VAL 4870CO 0.58 0.03 0.37 0.00 0.00 0.00 0.00 175.10 176.08 1a49 s ALA 4871N 0.41 3.48 -0.29 5.51 0.00 0.20 -0.49 121.76 130.58 1a49 s ALA 4871Ca -0.03 -1.77 -0.17 0.00 0.00 0.00 0.00 51.96 49.98 1a49 s ALA 4871Cb -0.05 -3.00 -0.02 0.00 0.00 0.00 0.00 23.12 20.05 1a49 s ALA 4871CO -0.01 -1.59 0.48 0.50 0.00 0.00 0.00 175.76 175.14 1a49 s ARG 4872N 1.83 3.93 -0.67 0.00 3.52 0.20 -0.14 118.95 127.62 1a49 s ARG 4872Ca 0.07 0.12 -0.17 0.00 -0.13 0.00 0.00 55.73 55.61 1a49 s ARG 4872Cb -0.20 -3.70 0.14 0.00 -1.56 0.00 0.00 34.95 29.63 1a49 s ARG 4872CO 0.10 -0.42 0.72 -1.64 -0.81 0.00 0.00 175.30 173.25 1a49 s MET 4873N 2.28 3.21 -0.69 5.12 -1.94 -0.02 -2.33 119.30 124.93 1a49 s MET 4873Ca 0.19 -1.69 -0.26 0.00 -1.71 0.00 0.00 55.69 52.22 1a49 s MET 4873Cb -0.16 -4.38 -0.00 0.00 2.01 0.00 0.00 34.83 32.31 1a49 s MET 4873CO 0.11 -1.47 1.63 1.21 -0.01 0.00 0.00 175.02 176.48 1a49 s ASN 4874N 3.33 5.65 0.00 3.03 3.84 -1.26 -0.90 114.94 128.63 1a49 s ASN 4874Ca 0.13 -0.07 0.10 0.00 0.21 0.00 0.00 52.86 53.23 1a49 s ASN 4874Cb -0.21 -2.54 0.61 0.00 -0.55 0.00 0.00 41.25 38.56 1a49 s ASN 4874CO 0.01 -2.16 1.17 0.49 -2.79 0.00 0.00 177.10 173.82 1a49 n PHE 4875N 11.38 0.00 0.27 0.43 3.01 -0.05 -3.38 117.46 129.11 1a49 n PHE 4875Ca 0.15 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.72 1a49 n PHE 4875Cb 0.51 0.00 0.75 0.00 -0.01 0.00 0.00 39.48 40.72 1a49 n PHE 4875CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1a49 h SER 4876N 0.00 0.00 -5.32 4.37 0.02 -1.85 -3.40 113.55 107.37 1a49 h SER 4876Ca 0.00 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.70 1a49 h SER 4876Cb 0.00 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.39 1a49 h SER 4876CO 0.00 0.01 -0.63 -1.00 -1.14 0.00 0.00 176.83 174.07 1a49 s HIS 4877N -4.86 1.17 0.00 3.45 3.76 -1.22 -4.99 115.29 112.60 1a49 s HIS 4877Ca -0.05 -1.30 0.00 0.00 -0.15 0.00 0.00 55.06 53.56 1a49 s HIS 4877Cb 0.16 -0.61 0.00 0.00 1.11 0.00 0.00 32.58 33.24 1a49 s HIS 4877CO 0.62 -0.54 0.00 0.41 -0.85 0.00 0.00 174.74 174.38 1a49 n GLY 4878N -0.27 -1.81 3.97 -2.22 0.00 -1.26 -4.93 105.19 98.67 1a49 n GLY 4878Ca -0.00 -1.32 -0.24 0.00 0.00 0.00 0.00 46.02 44.46 1a49 n GLY 4878CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a49 s THR 4879N -2.57 2.20 0.23 2.61 -4.23 -1.26 -4.90 115.64 107.73 1a49 s THR 4879Ca 0.00 -0.49 -0.08 0.00 -1.18 0.00 0.00 61.69 59.94 1a49 s THR 4879Cb 0.00 -2.72 0.21 0.00 1.34 0.00 0.00 72.50 71.33 1a49 s THR 4879CO 0.00 0.00 1.89 0.45 -0.54 0.00 0.00 174.62 176.42 1a49 h HIS 4880N -0.60 1.13 -0.21 3.99 -0.00 -1.99 -0.44 115.15 117.03 1a49 h HIS 4880Ca -0.39 0.01 -0.15 0.00 -0.00 0.00 0.00 60.37 59.84 1a49 h HIS 4880Cb 1.27 -0.38 -0.01 0.00 -0.00 0.00 0.00 27.41 28.30 1a49 h HIS 4880CO -0.18 0.73 -0.49 1.49 -0.00 0.00 0.00 177.93 179.48 1a49 h GLU 4881N 1.20 0.57 0.52 2.45 4.81 -1.99 -0.20 114.58 121.94 1a49 h GLU 4881Ca 0.32 -0.33 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1a49 h GLU 4881Cb -0.10 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1a49 h GLU 4881CO -0.07 0.93 -0.32 -0.92 -0.73 0.00 0.00 179.01 177.91 1a49 h TYR 4882N 0.45 -0.84 -0.09 0.92 3.20 -1.70 -1.74 116.97 117.17 1a49 h TYR 4882Ca 0.02 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 1a49 h TYR 4882Cb 1.02 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.58 1a49 h TYR 4882CO 0.04 -0.49 -0.19 0.45 -1.64 0.00 0.00 178.16 176.33 1a49 h HIS 4883N -0.80 0.16 -0.20 -3.82 3.86 -0.85 0.04 115.15 113.53 1a49 h HIS 4883Ca -0.06 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.06 1a49 h HIS 4883Cb 0.65 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 1a49 h HIS 4883CO -0.10 0.34 -0.16 0.00 0.86 0.00 0.00 177.93 178.87 1a49 h ALA 4884N 1.67 1.35 0.04 2.45 0.00 -0.75 -2.19 119.26 121.82 1a49 h ALA 4884Ca 0.03 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1a49 h ALA 4884Cb 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1a49 h ALA 4884CO 0.03 0.44 -0.02 1.49 0.00 0.00 0.00 179.25 181.19 1a49 h GLU 4885N 0.32 -0.05 -0.65 0.00 4.81 -0.12 -2.25 114.58 116.65 1a49 h GLU 4885Ca 0.06 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.43 1a49 h GLU 4885Cb 0.48 0.01 -0.12 0.00 0.63 0.00 0.00 28.75 29.75 1a49 h GLU 4885CO 0.03 0.34 -0.12 1.15 -0.73 0.00 0.00 179.01 179.68 1a49 h THR 4886N -0.44 0.38 -0.85 0.32 2.02 -0.96 -0.05 112.91 113.33 1a49 h THR 4886Ca -0.01 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1a49 h THR 4886Cb 0.41 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 1a49 h THR 4886CO 0.01 0.00 0.53 0.40 0.37 0.00 0.00 175.52 176.83 1a49 h ILE 4887N 0.03 1.23 -0.24 3.11 1.08 -1.36 0.30 117.51 121.66 1a49 h ILE 4887Ca 0.32 -0.48 -0.00 0.00 -0.39 0.00 0.00 64.86 64.31 1a49 h ILE 4887Cb 0.51 0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.26 1a49 h ILE 4887CO -0.64 0.24 0.15 0.50 -0.69 0.00 0.00 178.15 177.70 1a49 h LYS 4888N 1.16 0.32 -0.16 2.37 3.64 -0.59 0.03 116.57 123.34 1a49 h LYS 4888Ca 0.31 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1a49 h LYS 4888Cb -0.07 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1a49 h LYS 4888CO -0.06 0.25 0.07 -0.91 -2.27 0.00 0.00 179.45 176.52 1a49 h ASN 4889N 0.30 0.09 -0.79 4.20 -0.26 -0.05 0.02 115.58 119.10 1a49 h ASN 4889Ca 0.09 0.01 0.15 0.00 -0.56 0.00 0.00 56.30 55.99 1a49 h ASN 4889Cb 0.01 -0.01 -0.10 0.00 -1.06 0.00 0.00 38.32 37.16 1a49 h ASN 4889CO -0.02 0.08 0.32 0.58 -1.06 0.00 0.00 177.43 177.33 1a49 h VAL 4890N 0.15 0.63 -0.18 2.81 2.07 -0.16 -0.61 116.25 120.96 1a49 h VAL 4890Ca 0.07 -0.15 -0.16 0.00 0.82 0.00 0.00 66.70 67.27 1a49 h VAL 4890Cb 0.02 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 1a49 h VAL 4890CO -0.06 0.08 -0.57 0.03 0.02 0.00 0.00 177.57 177.08 1a49 h ARG 4891N 0.45 0.56 -0.21 1.57 3.08 -0.47 -1.13 114.38 118.24 1a49 h ARG 4891Ca 0.44 -0.36 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1a49 h ARG 4891Cb 0.70 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 1a49 h ARG 4891CO -0.42 0.98 0.05 1.15 -1.07 0.00 0.00 179.97 180.66 1a49 h THR 4892N 0.43 1.20 -0.74 2.04 2.02 0.38 0.75 112.91 118.98 1a49 h THR 4892Ca 0.00 -0.65 0.03 0.00 0.77 0.00 0.00 66.41 66.57 1a49 h THR 4892Cb 1.12 1.24 -0.05 0.00 -1.74 0.00 0.00 68.15 68.72 1a49 h THR 4892CO 0.11 0.20 0.47 0.00 0.37 0.00 0.00 175.52 176.67 1a49 h ALA 4893N 0.87 0.98 0.27 6.16 0.00 -1.17 -1.59 119.26 124.78 1a49 h ALA 4893Ca 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1a49 h ALA 4893Cb 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1a49 h ALA 4893CO 0.00 0.25 -0.14 1.15 0.00 0.00 0.00 179.25 180.51 1a49 h THR 4894N 0.90 0.71 0.00 0.00 2.02 -0.59 -2.20 112.91 113.75 1a49 h THR 4894Ca 0.30 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.48 1a49 h THR 4894Cb 0.04 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1a49 h THR 4894CO -0.12 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 175.15 1a49 n GLU 4895N -5.26 0.11 0.28 6.66 -0.58 0.20 -2.38 120.64 119.68 1a49 n GLU 4895Ca -0.09 0.33 0.16 0.00 -0.42 0.00 0.00 57.16 57.13 1a49 n GLU 4895Cb 0.18 -1.71 0.83 0.00 -0.57 0.00 0.00 31.44 30.17 1a49 n GLU 4895CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1a49 h SER 4896N 0.00 0.00 -0.16 1.62 4.64 -0.62 -1.71 113.55 117.32 1a49 h SER 4896Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a49 h SER 4896Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1a49 h SER 4896CO 0.00 0.07 0.00 0.49 -0.87 0.00 0.00 176.83 176.52 1a49 n PHE 4897N -3.42 0.19 0.42 4.77 3.72 -1.00 -4.14 117.46 117.99 1a49 n PHE 4897Ca -0.02 -0.10 0.13 0.00 -0.05 0.00 0.00 57.45 57.42 1a49 n PHE 4897Cb 0.21 0.00 0.48 0.00 -0.94 0.00 0.00 39.48 39.23 1a49 n PHE 4897CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a49 h ALA 4898N 4.35 1.00 -0.07 4.37 0.00 -1.46 -3.07 119.26 124.38 1a49 h ALA 4898Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1a49 h ALA 4898Cb 0.70 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1a49 h ALA 4898CO 0.00 0.00 0.05 0.66 0.00 0.00 0.00 179.25 179.96 1a49 h SER 4899N 0.00 0.00 -3.54 0.00 4.64 -1.76 -3.31 113.55 109.58 1a49 h SER 4899Ca 0.00 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.62 1a49 h SER 4899Cb 0.53 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.26 1a49 h SER 4899CO 0.00 0.00 -0.19 -0.62 -0.87 0.00 0.00 176.83 175.15 1a49 s ASP 4900N -6.82 5.75 0.49 4.97 2.15 -1.16 -4.98 116.67 117.07 1a49 s ASP 4900Ca -0.05 -3.51 0.21 0.00 0.43 0.00 0.00 52.55 49.63 1a49 s ASP 4900Cb 0.17 -1.88 0.71 0.00 -0.30 0.00 0.00 42.92 41.62 1a49 s ASP 4900CO 0.66 -0.23 1.04 -2.65 -0.17 0.00 0.00 175.17 173.82 1a49 n PRO 4901N 2.61 0.01 0.04 4.34 -0.02 -1.25 -0.61 135.00 140.13 1a49 n PRO 4901Ca 0.18 0.82 -0.02 0.00 -2.02 0.00 0.00 63.50 62.46 1a49 n PRO 4901Cb 0.37 -2.05 -0.01 0.00 -0.02 0.00 0.00 33.50 31.79 1a49 n PRO 4901CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1a49 h ILE 4902N 0.00 0.00 0.00 4.25 1.08 -1.93 -3.37 117.51 117.54 1a49 h ILE 4902Ca 0.39 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 64.48 1a49 h ILE 4902Cb 2.35 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 36.10 1a49 h ILE 4902CO -0.00 0.00 0.00 0.18 -0.69 0.00 0.00 178.15 177.64 1a49 n LEU 4903N -3.43 0.28 -4.79 1.44 4.77 0.22 -4.82 117.00 110.68 1a49 n LEU 4903Ca -0.02 -0.14 -0.36 0.00 -0.03 0.00 0.00 56.01 55.46 1a49 n LEU 4903Cb 0.06 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 1a49 n LEU 4903CO 0.04 0.07 0.68 -0.47 -1.33 0.00 0.00 177.39 176.39 1a49 s TYR 4904N -1.66 3.41 -0.13 -1.77 5.04 -0.89 -4.96 117.35 116.40 1a49 s TYR 4904Ca 0.00 1.68 -0.00 0.00 -2.44 0.00 0.00 57.07 56.31 1a49 s TYR 4904Cb 0.00 -2.98 0.02 0.00 0.35 0.00 0.00 41.96 39.35 1a49 s TYR 4904CO 0.00 -0.21 -0.10 1.03 -1.34 0.00 0.00 175.55 174.92 1a49 s ARG 4905N -2.57 1.82 0.42 4.97 3.00 -1.26 -4.98 118.95 120.36 1a49 s ARG 4905Ca 0.57 -0.37 -0.25 0.00 0.00 0.00 0.00 55.73 55.68 1a49 s ARG 4905Cb -0.17 -1.78 -0.08 0.00 0.00 0.00 0.00 34.95 32.92 1a49 s ARG 4905CO 0.22 -0.25 1.27 -2.14 0.00 0.00 0.00 175.30 174.40 1a49 s PRO 4906N 1.60 3.87 -0.10 3.54 0.02 -1.26 -5.00 135.00 137.68 1a49 s PRO 4906Ca 0.05 2.06 0.01 0.00 0.02 0.00 0.00 61.00 63.14 1a49 s PRO 4906Cb -0.13 -2.65 0.02 0.00 0.02 0.00 0.00 34.50 31.76 1a49 s PRO 4906CO -0.09 -0.54 -0.12 0.08 -0.33 0.00 0.00 177.00 176.00 1a49 s VAL 4907N -1.33 1.27 0.36 3.83 1.01 -1.26 -4.90 120.40 119.38 1a49 s VAL 4907Ca 0.59 -0.51 -0.07 0.00 0.00 0.00 0.00 61.98 61.99 1a49 s VAL 4907Cb -0.36 -1.19 -0.06 0.00 0.00 0.00 0.00 36.38 34.78 1a49 s VAL 4907CO 0.45 0.40 0.67 0.00 0.00 0.00 0.00 175.10 176.62 1a49 s ALA 4908N 1.08 3.48 -0.26 5.51 0.00 -1.02 -4.90 121.76 125.65 1a49 s ALA 4908Ca -0.06 -0.40 -0.04 0.00 0.00 0.00 0.00 51.96 51.46 1a49 s ALA 4908Cb -0.15 -2.50 0.01 0.00 0.00 0.00 0.00 23.12 20.48 1a49 s ALA 4908CO -0.02 0.08 -0.01 0.08 0.00 0.00 0.00 175.76 175.89 1a49 s VAL 4909N -2.27 3.36 0.09 0.00 1.01 -1.26 -0.63 120.40 120.70 1a49 s VAL 4909Ca 0.47 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.68 1a49 s VAL 4909Cb -0.10 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1a49 s VAL 4909CO 0.32 0.20 0.13 0.00 0.00 0.00 0.00 175.10 175.74 1a49 s ALA 4910N 1.42 3.69 -0.20 5.51 0.00 0.80 -0.45 121.76 132.52 1a49 s ALA 4910Ca 0.02 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.00 1a49 s ALA 4910Cb -0.16 -1.54 0.04 0.00 0.00 0.00 0.00 23.12 21.45 1a49 s ALA 4910CO -0.02 0.74 -0.15 -1.17 0.00 0.00 0.00 175.76 175.16 1a49 s LEU 4911N -2.52 2.48 -0.34 0.00 0.20 -0.77 -0.84 118.68 116.88 1a49 s LEU 4911Ca 0.31 -0.88 -0.12 0.00 0.69 0.00 0.00 54.13 54.13 1a49 s LEU 4911Cb -0.12 -1.43 -0.00 0.00 -0.43 0.00 0.00 46.19 44.21 1a49 s LEU 4911CO 0.24 -0.08 0.21 -0.62 -0.29 0.00 0.00 176.35 175.80 1a49 s ASP 4912N 1.28 5.82 0.59 3.68 -1.08 -0.07 0.78 116.67 127.66 1a49 s ASP 4912Ca 0.00 -0.60 -0.17 0.00 -0.52 0.00 0.00 52.55 51.26 1a49 s ASP 4912Cb -0.15 -2.07 -0.03 0.00 -1.46 0.00 0.00 42.92 39.20 1a49 s ASP 4912CO -0.10 -0.26 1.11 0.42 0.52 0.00 0.00 175.17 176.86 1a49 s THR 4913N 1.65 3.26 0.13 1.71 -4.23 -0.20 -0.88 115.64 117.08 1a49 s THR 4913Ca 0.05 0.69 -0.15 0.00 -1.18 0.00 0.00 61.69 61.09 1a49 s THR 4913Cb -0.18 -3.22 -0.01 0.00 1.34 0.00 0.00 72.50 70.43 1a49 s THR 4913CO 0.08 -0.26 1.63 0.50 -0.54 0.00 0.00 174.62 176.03 1a49 h LYS 4914N 0.68 0.64 -0.09 3.99 3.64 -1.91 -3.38 116.57 120.14 1a49 h LYS 4914Ca -0.48 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 58.75 1a49 h LYS 4914Cb 1.25 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1a49 h LYS 4914CO 0.56 0.66 -0.02 0.41 -2.27 0.00 0.00 179.45 178.79 1a49 n GLY 4915N -0.59 -1.82 3.77 5.01 0.00 -1.26 -4.90 105.19 105.40 1a49 n GLY 4915Ca -0.00 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 1a49 n GLY 4915CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1a49 s PRO 4916N -1.82 4.00 0.03 1.61 0.02 -1.26 -4.73 135.00 132.84 1a49 s PRO 4916Ca 0.00 2.21 -0.00 0.00 0.02 0.00 0.00 61.00 63.22 1a49 s PRO 4916Cb 0.00 -2.80 -0.03 0.00 0.02 0.00 0.00 34.50 31.70 1a49 s PRO 4916CO 0.00 -0.49 -0.03 -1.21 -0.33 0.00 0.00 177.00 174.95 1a49 s GLU 4917N -2.20 0.40 -0.17 5.54 2.02 -1.26 -5.00 118.70 118.04 1a49 s GLU 4917Ca 0.56 -0.78 0.01 0.00 0.02 0.00 0.00 54.97 54.77 1a49 s GLU 4917Cb -0.39 0.14 0.01 0.00 0.10 0.00 0.00 34.13 33.99 1a49 s GLU 4917CO 0.51 -0.07 -0.17 0.42 0.02 0.00 0.00 175.26 175.97 1a49 s ILE 4918N -2.17 2.40 0.10 -1.63 1.01 -1.26 -4.95 121.20 114.70 1a49 s ILE 4918Ca -0.09 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 59.75 1a49 s ILE 4918Cb -0.05 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 1a49 s ILE 4918CO -0.04 0.52 -0.10 -0.13 0.00 0.00 0.00 174.94 175.20 1a49 s ARG 4919N 1.05 0.87 0.84 2.79 0.52 -1.26 -0.20 118.95 123.57 1a49 s ARG 4919Ca -0.01 -1.21 -0.10 0.00 -0.52 0.00 0.00 55.73 53.89 1a49 s ARG 4919Cb -0.14 -0.52 0.15 0.00 0.52 0.00 0.00 34.95 34.96 1a49 s ARG 4919CO -0.05 0.07 1.17 0.95 0.02 0.00 0.00 175.30 177.46 1a49 s THR 4920N -2.65 2.08 0.00 0.02 -4.23 0.28 -2.08 115.64 109.06 1a49 s THR 4920Ca 0.07 -0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 1a49 s THR 4920Cb -0.02 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 70.95 1a49 s THR 4920CO -0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1a49 n GLY 4921N -3.34 1.72 3.74 3.99 0.00 -0.57 -3.23 105.19 107.50 1a49 n GLY 4921Ca 0.13 -1.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 1a49 n GLY 4921CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a49 s LEU 4922N 0.00 4.03 0.03 0.99 1.43 -0.90 0.18 118.68 124.44 1a49 s LEU 4922Ca 0.00 0.24 -0.30 0.00 -1.03 0.00 0.00 54.13 53.04 1a49 s LEU 4922Cb 0.00 -2.00 -0.07 0.00 0.03 0.00 0.00 46.19 44.16 1a49 s LEU 4922CO 0.00 0.28 1.56 -0.63 0.23 0.00 0.00 176.35 177.79 1a49 s ILE 4923N -0.29 3.35 0.00 -0.59 -1.09 -1.26 -0.29 121.20 121.03 1a49 s ILE 4923Ca 0.09 0.74 0.00 0.00 -2.23 0.00 0.00 60.65 59.25 1a49 s ILE 4923Cb -0.12 -3.47 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 1a49 s ILE 4923CO 0.01 -0.01 0.00 0.29 -1.23 0.00 0.00 174.94 174.00 1a49 n LYS 4924N 5.67 0.00 0.00 2.79 5.02 0.91 -1.50 118.16 131.05 1a49 n LYS 4924Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1a49 n LYS 4924Cb 0.42 -2.16 0.00 0.00 -0.02 0.00 0.00 35.03 33.27 1a49 n LYS 4924CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a49 n GLY 4925N -1.05 1.31 3.92 0.72 0.00 -1.02 -4.87 105.19 104.21 1a49 n GLY 4925Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1a49 n GLY 4925CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a49 s SER 4926N -1.81 6.26 0.00 1.61 0.01 -0.56 -4.94 113.70 114.26 1a49 s SER 4926Ca 0.00 0.80 0.24 0.00 1.31 0.00 0.00 55.95 58.30 1a49 s SER 4926Cb 0.00 -2.18 0.16 0.00 0.21 0.00 0.00 66.02 64.21 1a49 s SER 4926CO 0.00 -0.52 1.23 0.61 0.41 0.00 0.00 173.24 174.97 1a49 n GLY 4927N -2.15 0.82 0.00 3.44 0.00 -1.26 -3.99 105.19 102.05 1a49 n GLY 4927Ca -0.01 -0.68 0.01 0.00 0.00 0.00 0.00 46.02 45.34 1a49 n GLY 4927CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a49 n THR 4928N 1.10 0.00 -2.60 2.61 -2.24 -1.26 -4.68 114.28 107.21 1a49 n THR 4928Ca 0.13 -0.05 -0.35 0.00 -2.27 0.00 0.00 64.05 61.51 1a49 n THR 4928Cb 0.58 0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 69.20 1a49 n THR 4928CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a49 s ALA 4929N -2.16 3.01 0.01 6.98 0.00 -1.26 -4.98 121.76 123.37 1a49 s ALA 4929Ca -0.01 0.61 0.04 0.00 0.00 0.00 0.00 51.96 52.60 1a49 s ALA 4929Cb 0.01 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.88 1a49 s ALA 4929CO 0.10 -0.17 -0.12 -1.21 0.00 0.00 0.00 175.76 174.36 1a49 s GLU 4930N -2.83 0.89 0.32 0.00 2.02 -1.26 -4.12 118.70 113.72 1a49 s GLU 4930Ca 0.61 -0.54 0.10 0.00 0.02 0.00 0.00 54.97 55.16 1a49 s GLU 4930Cb -0.18 -0.86 -0.05 0.00 0.10 0.00 0.00 34.13 33.14 1a49 s GLU 4930CO 0.22 0.22 -0.06 0.08 0.02 0.00 0.00 175.26 175.75 1a49 s VAL 4931N -0.52 2.64 -0.30 2.63 1.01 -0.44 -4.90 120.40 120.51 1a49 s VAL 4931Ca 0.03 -2.10 -0.14 0.00 0.00 0.00 0.00 61.98 59.76 1a49 s VAL 4931Cb -0.06 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 1a49 s VAL 4931CO 0.00 -0.27 0.34 -0.70 0.00 0.00 0.00 175.10 174.47 1a49 s GLU 4932N -3.65 3.82 -0.36 2.72 -6.30 -1.26 -0.97 118.70 112.70 1a49 s GLU 4932Ca 0.33 -0.21 -0.17 0.00 -2.50 0.00 0.00 54.97 52.42 1a49 s GLU 4932Cb -0.02 -3.72 -0.00 0.00 0.00 0.00 0.00 34.13 30.40 1a49 s GLU 4932CO 0.18 -0.36 0.45 -0.51 0.02 0.00 0.00 175.26 175.03 1a49 s LEU 4933N 2.00 4.48 -0.01 2.70 1.43 0.01 -4.89 118.68 124.40 1a49 s LEU 4933Ca 0.12 -0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 52.90 1a49 s LEU 4933Cb -0.16 -2.46 -0.05 0.00 0.03 0.00 0.00 46.19 43.55 1a49 s LEU 4933CO 0.11 -0.46 0.29 -0.54 0.23 0.00 0.00 176.35 175.99 1a49 s LYS 4934N 2.22 3.65 0.36 1.70 1.02 -1.26 -1.60 119.74 125.83 1a49 s LYS 4934Ca 0.15 0.06 -0.29 0.00 0.02 0.00 0.00 55.97 55.91 1a49 s LYS 4934Cb -0.16 -3.12 -0.11 0.00 -0.52 0.00 0.00 37.83 33.92 1a49 s LYS 4934CO 0.13 0.67 1.53 1.17 -0.92 0.00 0.00 175.35 177.93 1a49 n LYS 4935N 1.41 2.71 0.00 1.68 4.81 -1.26 -1.12 118.16 126.39 1a49 n LYS 4935Ca -0.13 0.95 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 1a49 n LYS 4935Cb 0.53 -2.71 0.00 0.00 0.02 0.00 0.00 35.03 32.87 1a49 n LYS 4935CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1a49 n GLY 4936N 0.92 2.99 3.46 3.14 0.00 0.53 -4.98 105.19 111.25 1a49 n GLY 4936Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1a49 n GLY 4936CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a49 n ALA 4937N 0.00 -2.80 -2.55 4.61 0.00 -0.27 -4.54 120.51 114.97 1a49 n ALA 4937Ca 0.00 -1.06 -0.32 0.00 0.00 0.00 0.00 53.44 52.05 1a49 n ALA 4937Cb 0.00 -1.93 -0.11 0.00 0.00 0.00 0.00 19.45 17.41 1a49 n ALA 4937CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1a49 s THR 4938N -2.41 3.41 -0.09 0.00 2.01 -1.26 -0.32 115.64 116.98 1a49 s THR 4938Ca 0.65 -0.78 -0.09 0.00 0.31 0.00 0.00 61.69 61.78 1a49 s THR 4938Cb -0.22 -2.44 0.02 0.00 0.01 0.00 0.00 72.50 69.87 1a49 s THR 4938CO 0.64 0.45 0.25 -0.22 -0.69 0.00 0.00 174.62 175.06 1a49 s LEU 4939N -1.20 1.04 -0.17 4.42 2.96 -0.66 -4.74 118.68 120.32 1a49 s LEU 4939Ca 0.15 0.49 -0.00 0.00 -0.22 0.00 0.00 54.13 54.55 1a49 s LEU 4939Cb -0.11 0.87 0.00 0.00 0.50 0.00 0.00 46.19 47.45 1a49 s LEU 4939CO 0.05 -0.10 -0.14 -0.75 -1.32 0.00 0.00 176.35 174.09 1a49 s LYS 4940N 0.08 3.21 -0.15 1.98 2.20 -0.91 -0.70 119.74 125.47 1a49 s LYS 4940Ca -0.01 -0.74 -0.22 0.00 -0.36 0.00 0.00 55.97 54.65 1a49 s LYS 4940Cb -0.02 -2.69 -0.03 0.00 -1.51 0.00 0.00 37.83 33.59 1a49 s LYS 4940CO 0.00 -0.05 0.66 0.42 -0.36 0.00 0.00 175.35 176.02 1a49 s ILE 4941N 1.00 5.03 0.12 5.43 1.09 -0.15 -1.43 121.20 132.28 1a49 s ILE 4941Ca -0.02 1.29 0.10 0.00 -1.10 0.00 0.00 60.65 60.93 1a49 s ILE 4941Cb -0.15 -3.98 -0.04 0.00 -1.06 0.00 0.00 42.46 37.23 1a49 s ILE 4941CO -0.03 0.17 -0.26 -0.89 -0.10 0.00 0.00 174.94 173.83 1a49 s THR 4942N 1.46 2.16 -2.06 2.92 2.01 0.11 -1.31 115.64 120.93 1a49 s THR 4942Ca 0.32 -1.68 0.21 0.00 0.31 0.00 0.00 61.69 60.86 1a49 s THR 4942Cb -0.16 -1.91 0.02 0.00 0.01 0.00 0.00 72.50 70.46 1a49 s THR 4942CO 0.13 0.10 1.06 0.18 -0.69 0.00 0.00 174.62 175.40 1a49 n LEU 4943N 1.05 2.10 -4.58 4.42 4.77 -0.07 -3.23 117.00 121.45 1a49 n LEU 4943Ca -0.18 -0.80 -0.42 0.00 -0.03 0.00 0.00 56.01 54.58 1a49 n LEU 4943Cb 0.53 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 1a49 n LEU 4943CO 0.23 0.38 1.43 -0.62 -1.33 0.00 0.00 177.39 177.48 1a49 s ASP 4944N -2.26 5.90 0.65 -1.43 -1.08 -1.26 -4.89 116.67 112.30 1a49 s ASP 4944Ca 0.19 0.77 0.33 0.00 -0.52 0.00 0.00 52.55 53.32 1a49 s ASP 4944Cb 0.17 -2.53 1.78 0.00 -1.46 0.00 0.00 42.92 40.88 1a49 s ASP 4944CO 0.49 -1.80 2.03 0.78 0.52 0.00 0.00 175.17 177.19 1a49 h ASN 4945N 12.48 0.00 -0.01 -0.34 4.21 -1.94 0.12 115.58 130.10 1a49 h ASN 4945Ca -0.29 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.22 1a49 h ASN 4945Cb 1.14 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.34 1a49 h ASN 4945CO 1.11 0.00 0.05 0.00 -1.29 0.00 0.00 177.43 177.30 1a49 h ALA 4946N 1.52 1.14 0.00 -0.83 0.00 -2.01 -0.09 119.26 118.99 1a49 h ALA 4946Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1a49 h ALA 4946Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1a49 h ALA 4946CO -0.00 -0.05 -1.28 0.66 0.00 0.00 0.00 179.25 178.58 1a49 n TYR 4947N -3.19 0.08 -0.21 0.00 4.01 0.03 -4.60 117.16 113.28 1a49 n TYR 4947Ca -0.03 0.02 0.14 0.00 -0.16 0.00 0.00 57.90 57.88 1a49 n TYR 4947Cb 0.12 -0.27 0.27 0.00 -0.31 0.00 0.00 39.34 39.15 1a49 n TYR 4947CO 0.00 0.00 0.00 -0.12 -0.46 0.00 0.00 176.86 176.28 1a49 n MET 4948N -1.85 -0.04 -0.59 -0.72 1.56 -0.05 0.77 117.12 116.20 1a49 n MET 4948Ca 0.01 0.89 0.02 0.00 -0.27 0.00 0.00 57.70 58.35 1a49 n MET 4948Cb 0.43 -1.50 0.21 0.00 2.15 0.00 0.00 33.22 34.50 1a49 n MET 4948CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1a49 n GLU 4949N -4.60 2.00 -2.90 2.12 1.02 -1.26 -2.12 120.64 114.90 1a49 n GLU 4949Ca 0.19 -3.04 -0.17 0.00 -0.02 0.00 0.00 57.16 54.12 1a49 n GLU 4949Cb 0.64 -1.76 -0.01 0.00 -0.02 0.00 0.00 31.44 30.29 1a49 n GLU 4949CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1a49 n LYS 4950N -1.02 1.58 -3.01 3.49 5.02 0.23 -2.42 118.16 122.04 1a49 n LYS 4950Ca 0.26 -3.65 -0.36 0.00 -2.02 0.00 0.00 58.31 52.54 1a49 n LYS 4950Cb 0.91 -1.67 -0.06 0.00 -0.02 0.00 0.00 35.03 34.18 1a49 n LYS 4950CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a49 n ASP 4952N 0.58 0.00 0.00 0.00 5.68 0.17 -0.06 116.55 122.92 1a49 n ASP 4952Ca -0.01 -0.86 0.07 0.00 -0.50 0.00 0.00 54.79 53.49 1a49 n ASP 4952Cb 0.51 0.00 0.36 0.00 -1.14 0.00 0.00 41.12 40.85 1a49 n ASP 4952CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1a49 n GLU 4953N 0.00 0.15 -0.07 0.11 0.00 -1.26 -2.82 120.64 116.74 1a49 n GLU 4953Ca 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 57.16 57.24 1a49 n GLU 4953Cb 0.00 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 29.87 1a49 n GLU 4953CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1a49 n ASN 4954N -1.35 2.78 -4.19 -1.84 3.02 -1.26 -4.63 115.26 107.78 1a49 n ASN 4954Ca 0.06 -0.07 -0.25 0.00 -0.03 0.00 0.00 54.58 54.29 1a49 n ASN 4954Cb 0.14 -0.14 -0.15 0.00 -0.61 0.00 0.00 39.78 39.02 1a49 n ASN 4954CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1a49 s ILE 4955N -2.30 1.48 -0.08 2.41 -1.09 -1.13 -2.13 121.20 118.36 1a49 s ILE 4955Ca -0.19 -0.88 -0.03 0.00 -2.23 0.00 0.00 60.65 57.32 1a49 s ILE 4955Cb 0.05 -1.24 0.04 0.00 -1.58 0.00 0.00 42.46 39.73 1a49 s ILE 4955CO 0.36 0.35 0.16 -0.22 -1.23 0.00 0.00 174.94 174.35 1a49 s LEU 4956N -0.62 0.20 -0.14 2.97 2.96 -0.51 0.42 118.68 123.95 1a49 s LEU 4956Ca 0.07 0.33 -0.07 0.00 -0.22 0.00 0.00 54.13 54.24 1a49 s LEU 4956Cb -0.07 0.33 -0.04 0.00 0.50 0.00 0.00 46.19 46.90 1a49 s LEU 4956CO -0.00 -0.21 0.12 0.86 -1.32 0.00 0.00 176.35 175.80 1a49 s TRP 4957N 1.89 3.51 0.37 5.38 -0.00 -1.26 0.07 118.94 128.90 1a49 s TRP 4957Ca -0.01 0.44 0.05 0.00 -0.00 0.00 0.00 56.10 56.57 1a49 s TRP 4957Cb -0.12 -1.98 -0.03 0.00 -0.00 0.00 0.00 33.47 31.35 1a49 s TRP 4957CO -0.06 0.60 0.19 -0.48 -0.00 0.00 0.00 176.95 177.20 1a49 s LEU 4958N -0.67 1.86 0.00 5.86 0.05 -1.20 -1.51 118.68 123.08 1a49 s LEU 4958Ca 0.13 -1.70 0.16 0.00 0.05 0.00 0.00 54.13 52.76 1a49 s LEU 4958Cb -0.12 0.19 0.25 0.00 -2.05 0.00 0.00 46.19 44.45 1a49 s LEU 4958CO 0.02 -0.99 1.14 -0.90 -0.55 0.00 0.00 176.35 175.08 1a49 n ASP 4959N -1.37 2.71 -4.42 1.48 5.68 -0.88 -4.80 116.55 114.95 1a49 n ASP 4959Ca -0.00 -1.79 -0.45 0.00 -0.50 0.00 0.00 54.79 52.05 1a49 n ASP 4959Cb 0.64 -0.13 -0.02 0.00 -1.14 0.00 0.00 41.12 40.47 1a49 n ASP 4959CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1a49 s TYR 4960N -1.21 3.42 0.56 2.11 5.04 -1.26 -4.87 117.35 121.14 1a49 s TYR 4960Ca 0.24 -1.76 0.30 0.00 -2.44 0.00 0.00 57.07 53.41 1a49 s TYR 4960Cb 0.15 -4.15 1.46 0.00 0.35 0.00 0.00 41.96 39.77 1a49 s TYR 4960CO 0.21 -1.32 1.89 0.87 -1.34 0.00 0.00 175.55 175.86 1a49 h LYS 4961N 8.13 0.00 -0.19 4.97 1.79 -1.97 0.30 116.57 129.60 1a49 h LYS 4961Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1a49 h LYS 4961Cb 0.99 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 1a49 h LYS 4961CO 1.04 0.00 0.00 0.09 -1.08 0.00 0.00 179.45 179.50 1a49 n ASN 4962N -4.07 2.43 -0.03 0.86 4.13 -1.26 -4.43 115.26 112.89 1a49 n ASN 4962Ca 0.14 -1.82 0.24 0.00 1.68 0.00 0.00 54.58 54.82 1a49 n ASN 4962Cb 0.83 -0.12 0.70 0.00 -1.54 0.00 0.00 39.78 39.65 1a49 n ASN 4962CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 1a49 h ILE 4963N 3.37 0.33 -0.13 2.41 2.10 -0.81 0.87 117.51 125.66 1a49 h ILE 4963Ca 0.00 0.00 -0.11 0.00 1.08 0.00 0.00 64.86 65.83 1a49 h ILE 4963Cb 0.73 0.51 -0.01 0.00 -1.09 0.00 0.00 36.82 36.96 1a49 h ILE 4963CO 0.00 0.00 -0.41 0.00 -1.08 0.00 0.00 178.15 176.66 1a49 h LYS 4965N 0.24 0.00 0.00 0.00 1.79 -1.16 -3.37 116.57 114.07 1a49 h LYS 4965Ca 0.02 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.37 1a49 h LYS 4965Cb 0.84 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.47 1a49 h LYS 4965CO 0.07 0.00 -1.80 1.33 -1.08 0.00 0.00 179.45 177.97 1a49 n VAL 4966N -2.41 0.46 -3.69 0.50 0.24 -1.01 -4.98 118.33 107.43 1a49 n VAL 4966Ca 0.04 -0.45 -0.31 0.00 -2.04 0.00 0.00 64.34 61.58 1a49 n VAL 4966Cb 0.46 -0.23 -0.04 0.00 -1.47 0.00 0.00 33.84 32.55 1a49 n VAL 4966CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1a49 s VAL 4967N -2.68 5.19 0.25 3.34 -7.23 -0.82 -4.65 120.40 113.81 1a49 s VAL 4967Ca -0.06 -0.05 0.09 0.00 -1.81 0.00 0.00 61.98 60.15 1a49 s VAL 4967Cb 0.07 -3.64 -0.05 0.00 0.56 0.00 0.00 36.38 33.32 1a49 s VAL 4967CO 0.58 0.02 -0.14 -1.81 -0.31 0.00 0.00 175.10 173.44 1a49 s ASP 4968N -2.53 3.00 0.24 4.85 1.11 -1.26 -4.88 116.67 117.19 1a49 s ASP 4968Ca 0.40 -1.07 -0.31 0.00 0.18 0.00 0.00 52.55 51.75 1a49 s ASP 4968Cb -0.12 -0.21 -0.12 0.00 1.07 0.00 0.00 42.92 43.54 1a49 s ASP 4968CO 0.26 -0.15 1.61 0.52 1.18 0.00 0.00 175.17 178.59 1a49 n VAL 4969N -0.53 0.55 0.00 -1.27 0.31 -1.26 -0.64 118.33 115.50 1a49 n VAL 4969Ca -0.06 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1a49 n VAL 4969Cb 0.61 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 1a49 n VAL 4969CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a49 n GLY 4970N 2.90 2.32 3.81 2.92 0.00 0.83 -5.00 105.19 112.97 1a49 n GLY 4970Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1a49 n GLY 4970CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a49 s SER 4971N -1.40 4.69 0.10 1.61 0.01 0.19 -4.74 113.70 114.15 1a49 s SER 4971Ca 0.00 1.36 0.06 0.00 1.31 0.00 0.00 55.95 58.68 1a49 s SER 4971Cb 0.00 -2.12 -0.04 0.00 0.21 0.00 0.00 66.02 64.07 1a49 s SER 4971CO 0.00 -1.85 -0.03 -0.54 0.41 0.00 0.00 173.24 171.23 1a49 s LYS 4972N -5.14 2.39 -0.15 12.44 -0.14 -1.26 -0.88 119.74 127.00 1a49 s LYS 4972Ca 0.60 -0.93 0.02 0.00 -1.36 0.00 0.00 55.97 54.30 1a49 s LYS 4972Cb -0.14 -2.45 0.02 0.00 -1.68 0.00 0.00 37.83 33.58 1a49 s LYS 4972CO 0.54 0.52 -0.20 0.08 -0.76 0.00 0.00 175.35 175.53 1a49 s VAL 4973N -1.33 1.98 -0.14 3.17 1.01 -0.54 -4.00 120.40 120.56 1a49 s VAL 4973Ca 0.25 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 1a49 s VAL 4973Cb -0.11 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 1a49 s VAL 4973CO 0.17 0.53 0.04 -0.31 0.00 0.00 0.00 175.10 175.53 1a49 s TYR 4974N 1.06 3.25 -0.06 5.22 2.02 0.16 0.09 117.35 129.08 1a49 s TYR 4974Ca -0.01 0.13 0.04 0.00 -0.37 0.00 0.00 57.07 56.85 1a49 s TYR 4974Cb -0.14 -1.96 0.00 0.00 -0.40 0.00 0.00 41.96 39.46 1a49 s TYR 4974CO -0.07 0.31 -0.17 0.08 -1.57 0.00 0.00 175.55 174.13 1a49 s VAL 4975N -0.21 1.48 -0.29 0.71 1.01 0.32 -0.11 120.40 123.30 1a49 s VAL 4975Ca 0.07 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.25 1a49 s VAL 4975Cb -0.12 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 34.97 1a49 s VAL 4975CO 0.02 0.43 0.38 -0.67 0.00 0.00 0.00 175.10 175.25 1a49 n ASP 4976N 3.44 -5.65 -4.53 3.32 2.03 0.15 -0.71 116.55 114.60 1a49 n ASP 4976Ca -0.20 0.28 -0.42 0.00 0.52 0.00 0.00 54.79 54.97 1a49 n ASP 4976Cb 0.52 -3.70 -0.08 0.00 -0.72 0.00 0.00 41.12 37.14 1a49 n ASP 4976CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1a49 n ASP 4977N -0.52 -1.69 -0.05 1.67 8.00 -1.26 0.13 116.55 122.83 1a49 n ASP 4977Ca 0.06 -1.25 -0.01 0.00 0.71 0.00 0.00 54.79 54.31 1a49 n ASP 4977Cb 0.31 -1.62 -0.00 0.00 -0.02 0.00 0.00 41.12 39.78 1a49 n ASP 4977CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a49 n GLY 4978N -1.16 0.46 0.10 0.44 0.00 -1.24 -4.91 105.19 98.88 1a49 n GLY 4978Ca 0.09 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 1a49 n GLY 4978CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a49 h LEU 4979N 0.00 0.20 -9.13 0.99 5.85 0.22 -3.41 115.31 110.03 1a49 h LEU 4979Ca -0.01 -0.01 -0.65 0.00 0.84 0.00 0.00 57.88 58.05 1a49 h LEU 4979Cb 0.20 -0.05 -0.17 0.00 0.37 0.00 0.00 40.66 41.01 1a49 h LEU 4979CO 0.02 0.15 -0.61 -0.63 -0.34 0.00 0.00 178.44 177.03 1a49 s ILE 4980N -6.17 4.40 -0.19 4.05 1.09 0.11 -4.78 121.20 119.72 1a49 s ILE 4980Ca -0.13 -0.19 -0.03 0.00 -1.10 0.00 0.00 60.65 59.20 1a49 s ILE 4980Cb 0.08 -2.91 -0.02 0.00 -1.06 0.00 0.00 42.46 38.55 1a49 s ILE 4980CO 0.69 0.53 -0.05 -0.55 -0.10 0.00 0.00 174.94 175.46 1a49 s SER 4981N -0.19 4.43 0.10 3.58 0.15 -0.31 -0.52 113.70 120.94 1a49 s SER 4981Ca 0.06 -0.29 0.07 0.00 0.70 0.00 0.00 55.95 56.48 1a49 s SER 4981Cb -0.12 -1.74 -0.04 0.00 -1.71 0.00 0.00 66.02 62.41 1a49 s SER 4981CO 0.02 0.07 -0.10 -0.76 1.20 0.00 0.00 173.24 173.67 1a49 s LEU 4982N 0.95 3.05 -0.19 3.45 1.43 0.11 -0.90 118.68 126.58 1a49 s LEU 4982Ca -0.00 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1a49 s LEU 4982Cb -0.15 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.26 1a49 s LEU 4982CO 0.01 0.18 -0.19 -1.58 0.23 0.00 0.00 176.35 175.00 1a49 s GLN 4983N -2.15 2.96 -0.31 1.70 0.74 0.11 -1.46 119.66 121.24 1a49 s GLN 4983Ca 0.21 -0.85 -0.28 0.00 0.05 0.00 0.00 55.36 54.49 1a49 s GLN 4983Cb -0.11 -2.61 -0.02 0.00 1.10 0.00 0.00 33.01 31.37 1a49 s GLN 4983CO 0.13 -0.23 1.85 0.08 -0.55 0.00 0.00 175.29 176.57 1a49 s VAL 4984N 1.29 3.42 -0.19 1.34 1.01 -0.06 -0.86 120.40 126.35 1a49 s VAL 4984Ca 0.04 0.43 0.12 0.00 0.00 0.00 0.00 61.98 62.57 1a49 s VAL 4984Cb -0.13 -3.56 -0.23 0.00 0.00 0.00 0.00 36.38 32.45 1a49 s VAL 4984CO -0.12 -0.36 0.10 0.29 0.00 0.00 0.00 175.10 175.01 1a49 n LYS 4985N 8.46 0.68 -3.72 2.72 4.76 0.30 -0.12 118.16 131.24 1a49 n LYS 4985Ca 0.24 0.09 -0.14 0.00 -2.87 0.00 0.00 58.31 55.62 1a49 n LYS 4985Cb 0.46 -1.57 -0.08 0.00 -1.84 0.00 0.00 35.03 32.00 1a49 n LYS 4985CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 1a49 s GLN 4986N -2.52 0.72 0.37 1.97 -2.07 -0.39 -4.91 119.66 112.84 1a49 s GLN 4986Ca -0.16 -0.08 0.08 0.00 -1.82 0.00 0.00 55.36 53.38 1a49 s GLN 4986Cb 0.07 0.33 -0.04 0.00 -1.09 0.00 0.00 33.01 32.28 1a49 s GLN 4986CO 0.77 -0.20 0.24 0.15 -1.32 0.00 0.00 175.29 174.93 1a49 s LYS 4987N -1.22 2.44 0.27 9.60 1.02 -1.26 0.11 119.74 130.69 1a49 s LYS 4987Ca -0.12 -1.56 -0.06 0.00 0.02 0.00 0.00 55.97 54.24 1a49 s LYS 4987Cb -0.04 -2.24 0.02 0.00 -0.52 0.00 0.00 37.83 35.05 1a49 s LYS 4987CO 0.05 -0.02 0.46 0.41 -0.92 0.00 0.00 175.35 175.33 1a49 n GLY 4988N -1.31 1.82 0.17 -3.33 0.00 -0.71 -4.89 105.19 96.94 1a49 n GLY 4988Ca -0.01 -1.36 -0.17 0.00 0.00 0.00 0.00 46.02 44.48 1a49 n GLY 4988CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a49 h PRO 4989N 0.00 0.55 0.00 1.61 0.11 -2.00 -3.34 132.00 128.93 1a49 h PRO 4989Ca -0.22 -0.60 0.00 0.00 0.11 0.00 0.00 66.00 65.29 1a49 h PRO 4989Cb 0.87 0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1a49 h PRO 4989CO 0.28 1.22 -0.10 -0.40 -0.21 0.00 0.00 178.00 178.79 1a49 n ASP 4990N -3.79 1.11 -2.65 -2.05 5.75 -1.26 -4.92 116.55 108.74 1a49 n ASP 4990Ca -0.09 -1.95 -0.12 0.00 -0.01 0.00 0.00 54.79 52.62 1a49 n ASP 4990Cb 0.87 -0.13 -0.03 0.00 -1.03 0.00 0.00 41.12 40.80 1a49 n ASP 4990CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 1a49 n PHE 4991N -0.46 -1.28 -3.59 2.11 1.16 -1.26 -0.89 117.46 113.25 1a49 n PHE 4991Ca 0.03 -1.95 -0.16 0.00 -1.87 0.00 0.00 57.45 53.51 1a49 n PHE 4991Cb 0.49 0.46 -0.07 0.00 -1.61 0.00 0.00 39.48 38.76 1a49 n PHE 4991CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1a49 s LEU 4992N 0.00 -0.46 -0.21 5.98 1.43 -0.42 -1.74 118.68 123.25 1a49 s LEU 4992Ca 0.24 0.88 -0.06 0.00 -1.03 0.00 0.00 54.13 54.16 1a49 s LEU 4992Cb -0.01 2.32 -0.03 0.00 0.03 0.00 0.00 46.19 48.50 1a49 s LEU 4992CO 0.17 -0.46 0.03 -0.69 0.23 0.00 0.00 176.35 175.63 1a49 s VAL 4993N -0.65 4.15 0.38 -1.59 1.01 0.30 -0.98 120.40 123.01 1a49 s VAL 4993Ca -0.07 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.72 1a49 s VAL 4993Cb -0.02 -2.90 -0.07 0.00 0.00 0.00 0.00 36.38 33.39 1a49 s VAL 4993CO 0.06 0.40 0.03 0.42 0.00 0.00 0.00 175.10 176.02 1a49 s THR 4994N 1.13 1.58 -0.07 3.92 -4.23 0.13 0.11 115.64 118.20 1a49 s THR 4994Ca 0.03 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.58 1a49 s THR 4994Cb -0.14 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 70.83 1a49 s THR 4994CO 0.02 0.00 -0.18 -0.70 -0.54 0.00 0.00 174.62 173.22 1a49 s GLU 4995N -3.80 2.21 -0.11 3.99 2.12 -0.04 -1.66 118.70 121.40 1a49 s GLU 4995Ca 0.34 -0.63 -0.29 0.00 0.36 0.00 0.00 54.97 54.75 1a49 s GLU 4995Cb 0.09 -1.77 -0.05 0.00 0.26 0.00 0.00 34.13 32.67 1a49 s GLU 4995CO 0.16 0.14 1.71 0.08 -0.54 0.00 0.00 175.26 176.80 1a49 s VAL 4996N 0.40 3.54 -0.12 3.70 1.01 0.56 -0.71 120.40 128.77 1a49 s VAL 4996Ca -0.14 0.63 -0.06 0.00 0.00 0.00 0.00 61.98 62.41 1a49 s VAL 4996Cb -0.16 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1a49 s VAL 4996CO 0.05 -0.13 -0.02 -0.08 0.00 0.00 0.00 175.10 174.92 1a49 h GLU 4997N 10.42 0.00 -4.99 2.72 4.81 -1.35 0.15 114.58 126.34 1a49 h GLU 4997Ca -0.38 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.18 1a49 h GLU 4997Cb 1.18 0.00 -0.35 0.00 0.63 0.00 0.00 28.75 30.21 1a49 h GLU 4997CO 0.97 0.10 -0.83 1.21 -0.73 0.00 0.00 179.01 179.73 1a49 s ASN 4998N -5.73 3.65 0.89 1.04 3.84 -1.09 -4.64 114.94 112.92 1a49 s ASN 4998Ca -0.09 -0.90 -0.09 0.00 0.21 0.00 0.00 52.86 51.99 1a49 s ASN 4998Cb 0.01 -1.52 0.17 0.00 -0.55 0.00 0.00 41.25 39.36 1a49 s ASN 4998CO 0.16 -0.07 1.02 0.61 -2.79 0.00 0.00 177.10 176.03 1a49 n GLY 4999N 4.57 -0.74 0.00 1.21 0.00 -1.26 -1.16 105.19 107.80 1a49 n GLY 4999Ca -0.18 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1a49 n GLY 4999CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a49 n GLY 5000N -1.97 -2.16 3.65 -0.02 0.00 -0.63 -4.71 105.19 99.35 1a49 n GLY 5000Ca 0.14 -1.31 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 1a49 n GLY 5000CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a49 s PHE 5001N -2.38 3.33 -0.09 1.61 0.40 -1.26 -0.81 117.98 118.77 1a49 s PHE 5001Ca 0.00 1.10 -0.03 0.00 -0.60 0.00 0.00 56.93 57.40 1a49 s PHE 5001Cb 0.00 -3.01 -0.03 0.00 0.51 0.00 0.00 43.02 40.49 1a49 s PHE 5001CO 0.00 -0.36 0.03 -1.17 0.70 0.00 0.00 175.22 174.43 1a49 s LEU 5002N 2.65 3.77 0.00 -0.37 2.96 -0.14 -4.91 118.68 122.65 1a49 s LEU 5002Ca 0.34 0.22 0.00 0.00 -0.22 0.00 0.00 54.13 54.47 1a49 s LEU 5002Cb -0.15 -1.88 0.00 0.00 0.50 0.00 0.00 46.19 44.65 1a49 s LEU 5002CO 0.08 0.38 0.00 0.61 -1.32 0.00 0.00 176.35 176.11 1a49 n GLY 5003N 2.08 5.59 3.87 7.98 0.00 -1.26 -1.32 105.19 122.13 1a49 n GLY 5003Ca -0.19 -1.95 -0.37 0.00 0.00 0.00 0.00 46.02 43.51 1a49 n GLY 5003CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a49 s SER 5004N 0.53 6.56 -1.44 1.61 0.01 -1.26 -4.41 113.70 115.31 1a49 s SER 5004Ca 0.00 0.67 -0.05 0.00 1.31 0.00 0.00 55.95 57.88 1a49 s SER 5004Cb 0.00 -2.14 0.04 0.00 0.21 0.00 0.00 66.02 64.13 1a49 s SER 5004CO 0.00 0.35 0.66 0.29 0.41 0.00 0.00 173.24 174.95 1a49 n LYS 5005N 1.74 -4.25 -2.52 12.44 5.02 0.13 -4.94 118.16 125.78 1a49 n LYS 5005Ca -0.16 0.51 -0.26 0.00 -2.02 0.00 0.00 58.31 56.37 1a49 n LYS 5005Cb 0.54 -5.00 0.02 0.00 -0.02 0.00 0.00 35.03 30.57 1a49 n LYS 5005CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1a49 s LYS 5006N -6.43 3.09 0.35 1.97 -0.14 -1.26 -4.59 119.74 112.73 1a49 s LYS 5006Ca 0.22 -0.01 -0.26 0.00 -1.36 0.00 0.00 55.97 54.56 1a49 s LYS 5006Cb -0.11 -2.33 -0.09 0.00 -1.68 0.00 0.00 37.83 33.61 1a49 s LYS 5006CO 0.86 -0.53 1.02 0.20 -0.76 0.00 0.00 175.35 176.14 1a49 s GLY 5007N -4.25 2.82 -0.05 -3.33 0.00 -1.26 -0.56 107.32 100.69 1a49 s GLY 5007Ca 0.52 0.67 0.06 0.00 0.00 0.00 0.00 44.72 45.97 1a49 s GLY 5007CO 0.44 1.13 -0.24 0.14 0.00 0.00 0.00 173.10 174.57 1a49 s VAL 5008N -1.56 1.97 -0.05 1.40 1.01 0.73 0.34 120.40 124.23 1a49 s VAL 5008Ca 0.53 -1.02 0.06 0.00 0.00 0.00 0.00 61.98 61.55 1a49 s VAL 5008Cb -0.22 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 1a49 s VAL 5008CO 0.28 0.55 -0.24 0.20 0.00 0.00 0.00 175.10 175.90 1a49 s ASN 5009N -0.18 2.86 -0.80 3.32 0.01 0.84 -4.48 114.94 116.50 1a49 s ASN 5009Ca -0.02 -0.47 0.01 0.00 -0.71 0.00 0.00 52.86 51.67 1a49 s ASN 5009Cb -0.13 -0.68 0.19 0.00 0.41 0.00 0.00 41.25 41.05 1a49 s ASN 5009CO 0.03 0.24 0.64 -0.76 -1.51 0.00 0.00 177.10 175.74 1a49 s LEU 5010N -0.22 5.20 -0.16 0.60 1.02 -1.26 0.39 118.68 124.25 1a49 s LEU 5010Ca -0.01 -3.77 -0.35 0.00 0.02 0.00 0.00 54.13 50.02 1a49 s LEU 5010Cb -0.12 -1.78 -0.12 0.00 0.02 0.00 0.00 46.19 44.18 1a49 s LEU 5010CO 0.02 -0.14 1.89 -2.65 0.02 0.00 0.00 176.35 175.49 1a49 n PRO 5011N 2.19 1.84 -0.43 1.29 -0.01 -1.26 -1.57 135.00 137.06 1a49 n PRO 5011Ca 0.20 0.66 0.00 0.00 -0.01 0.00 0.00 63.50 64.35 1a49 n PRO 5011Cb 0.36 -2.52 0.00 0.00 -0.01 0.00 0.00 33.50 31.33 1a49 n PRO 5011CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1a49 n GLY 5012N 4.59 1.09 3.80 -1.23 0.00 -1.26 -4.68 105.19 107.50 1a49 n GLY 5012Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.91 1a49 n GLY 5012CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a49 s ALA 5013N -3.02 3.34 -1.01 4.61 0.00 -0.61 -4.93 121.76 120.14 1a49 s ALA 5013Ca 0.00 0.31 -0.16 0.00 0.00 0.00 0.00 51.96 52.11 1a49 s ALA 5013Cb 0.00 -2.97 0.16 0.00 0.00 0.00 0.00 23.12 20.32 1a49 s ALA 5013CO 0.00 0.27 1.17 0.00 0.00 0.00 0.00 175.76 177.19 1a49 s ALA 5014N -1.54 3.71 0.15 0.00 0.00 -1.26 -4.74 121.76 118.08 1a49 s ALA 5014Ca 0.45 -3.07 -0.30 0.00 0.00 0.00 0.00 51.96 49.04 1a49 s ALA 5014Cb -0.18 -3.98 -0.08 0.00 0.00 0.00 0.00 23.12 18.89 1a49 s ALA 5014CO 0.22 -2.79 1.28 0.08 0.00 0.00 0.00 175.76 174.55 1a49 s VAL 5015N 1.83 3.46 0.34 0.00 1.01 -1.26 -4.91 120.40 120.87 1a49 s VAL 5015Ca 0.34 1.14 0.38 0.00 0.00 0.00 0.00 61.98 63.84 1a49 s VAL 5015Cb -0.05 -3.73 0.40 0.00 0.00 0.00 0.00 36.38 33.00 1a49 s VAL 5015CO -0.07 0.14 2.15 -0.78 0.00 0.00 0.00 175.10 176.54 1a49 h ASP 5016N 5.91 0.00 -2.97 3.32 1.82 -1.95 -3.47 116.42 119.08 1a49 h ASP 5016Ca -0.44 0.00 -0.58 0.00 -0.39 0.00 0.00 57.03 55.62 1a49 h ASP 5016Cb 1.21 0.00 0.16 0.00 0.68 0.00 0.00 39.33 41.38 1a49 h ASP 5016CO 0.79 0.00 -0.17 0.18 -1.61 0.00 0.00 179.24 178.43 1a49 n LEU 5017N -2.97 1.57 -4.51 2.28 4.77 -1.26 -4.95 117.00 111.93 1a49 n LEU 5017Ca -0.01 0.85 -0.29 0.00 -0.03 0.00 0.00 56.01 56.53 1a49 n LEU 5017Cb 0.16 -1.24 0.24 0.00 -2.33 0.00 0.00 43.42 40.25 1a49 n LEU 5017CO 0.22 -2.44 0.54 -2.84 -1.33 0.00 0.00 177.39 171.53 1a49 s PRO 5018N -2.09 -1.23 0.10 3.23 0.02 -1.26 -4.91 135.00 128.86 1a49 s PRO 5018Ca 0.68 0.37 -0.10 0.00 0.02 0.00 0.00 61.00 61.97 1a49 s PRO 5018Cb -0.50 -1.56 -0.17 0.00 0.02 0.00 0.00 34.50 32.29 1a49 s PRO 5018CO 0.54 -3.81 1.24 0.00 -0.33 0.00 0.00 177.00 174.65 1a49 h ALA 5019N -2.66 0.23 -3.90 -1.55 0.00 -1.92 -3.45 119.26 106.01 1a49 h ALA 5019Ca -0.52 -0.70 -0.57 0.00 0.00 0.00 0.00 54.91 53.12 1a49 h ALA 5019Cb 1.33 0.02 -0.31 0.00 0.00 0.00 0.00 17.79 18.83 1a49 h ALA 5019CO 0.44 0.74 -0.84 0.08 0.00 0.00 0.00 179.25 179.66 1a49 s VAL 5020N -3.33 1.48 1.05 0.00 1.01 -1.26 -4.74 120.40 114.61 1a49 s VAL 5020Ca -0.08 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 61.00 1a49 s VAL 5020Cb 0.08 -1.27 0.22 0.00 0.00 0.00 0.00 36.38 35.41 1a49 s VAL 5020CO 0.90 0.42 1.17 -0.94 0.00 0.00 0.00 175.10 176.65 1a49 s SER 5021N 0.03 2.25 0.15 3.32 1.04 -1.26 -4.92 113.70 114.31 1a49 s SER 5021Ca -0.04 0.67 -0.08 0.00 0.48 0.00 0.00 55.95 56.98 1a49 s SER 5021Cb -0.12 -0.98 -0.01 0.00 0.10 0.00 0.00 66.02 65.00 1a49 s SER 5021CO 0.02 -3.31 1.43 -0.33 0.98 0.00 0.00 173.24 172.03 1a49 h GLU 5022N -2.02 0.70 -0.48 4.02 4.39 -2.01 -2.92 114.58 116.26 1a49 h GLU 5022Ca -0.47 -0.48 0.03 0.00 0.34 0.00 0.00 59.36 58.78 1a49 h GLU 5022Cb 1.29 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.98 1a49 h GLU 5022CO 0.44 1.10 0.26 -0.22 -1.16 0.00 0.00 179.01 179.43 1a49 h LYS 5023N 0.52 0.50 -0.37 2.33 3.64 -1.98 -0.18 116.57 121.04 1a49 h LYS 5023Ca -0.00 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.45 1a49 h LYS 5023Cb 1.20 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1a49 h LYS 5023CO 0.12 0.33 0.38 -0.44 -2.27 0.00 0.00 179.45 177.57 1a49 h ASP 5024N 0.52 0.00 -0.05 4.20 3.32 -1.89 -0.07 116.42 122.45 1a49 h ASP 5024Ca 0.20 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 1a49 h ASP 5024Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1a49 h ASP 5024CO -0.12 0.00 -0.10 0.40 -1.72 0.00 0.00 179.24 177.71 1a49 h ILE 5025N 0.00 1.42 -0.46 0.35 2.04 -0.85 -0.72 117.51 119.30 1a49 h ILE 5025Ca 0.17 -1.41 -0.08 0.00 1.00 0.00 0.00 64.86 64.55 1a49 h ILE 5025Cb 0.93 2.24 -0.02 0.00 -0.74 0.00 0.00 36.82 39.23 1a49 h ILE 5025CO -0.00 0.38 -0.05 1.56 0.00 0.00 0.00 178.15 180.05 1a49 h GLN 5026N -0.36 0.78 -0.26 2.37 1.08 -0.95 -0.83 115.11 116.95 1a49 h GLN 5026Ca 0.00 -0.23 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 1a49 h GLN 5026Cb 0.67 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 1a49 h GLN 5026CO 0.02 0.82 0.16 -0.44 -0.95 0.00 0.00 178.83 178.45 1a49 h ASP 5027N 0.72 0.31 -0.39 1.46 3.32 -1.03 0.26 116.42 121.07 1a49 h ASP 5027Ca 0.13 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 1a49 h ASP 5027Cb 0.51 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1a49 h ASP 5027CO 0.03 0.25 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.72 1a49 h LEU 5028N 0.34 0.76 -0.70 1.55 3.38 -0.91 0.20 115.31 119.93 1a49 h LEU 5028Ca 0.10 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1a49 h LEU 5028Cb -0.00 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1a49 h LEU 5028CO -0.02 0.83 0.26 0.50 0.09 0.00 0.00 178.44 180.10 1a49 h LYS 5029N 0.73 1.06 -0.48 1.13 3.64 -0.66 -1.93 116.57 120.07 1a49 h LYS 5029Ca 0.14 -0.21 -0.12 0.00 -1.27 0.00 0.00 60.65 59.19 1a49 h LYS 5029Cb 0.46 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1a49 h LYS 5029CO 0.02 0.89 -0.18 0.35 -2.27 0.00 0.00 179.45 178.26 1a49 h PHE 5030N 1.01 1.10 -0.81 1.91 3.57 -0.12 -2.90 116.94 120.69 1a49 h PHE 5030Ca 0.23 -0.26 0.07 0.00 3.53 0.00 0.00 57.97 61.54 1a49 h PHE 5030Cb 0.24 -0.26 -0.06 0.00 2.79 0.00 0.00 35.95 38.66 1a49 h PHE 5030CO 0.02 1.07 0.49 0.78 -2.23 0.00 0.00 178.31 178.43 1a49 h GLY 5031N 0.81 1.23 1.04 2.40 0.00 0.02 0.52 103.07 109.09 1a49 h GLY 5031Ca 0.11 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 1a49 h GLY 5031CO 0.06 0.21 0.43 -2.08 0.00 0.00 0.00 176.54 175.16 1a49 h VAL 5032N 0.87 1.26 -0.63 4.60 2.07 -1.37 0.31 116.25 123.36 1a49 h VAL 5032Ca 0.37 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1a49 h VAL 5032Cb 0.23 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1a49 h VAL 5032CO -0.19 0.31 0.41 -0.33 0.02 0.00 0.00 177.57 177.78 1a49 h GLU 5033N 1.23 0.83 0.00 1.57 5.08 -0.74 -1.68 114.58 120.88 1a49 h GLU 5033Ca 0.30 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1a49 h GLU 5033Cb 0.10 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1a49 h GLU 5033CO -0.04 0.56 0.00 1.04 -1.00 0.00 0.00 179.01 179.57 1a49 n GLN 5034N -4.64 0.56 -3.49 2.33 1.13 0.16 -4.93 117.38 108.50 1a49 n GLN 5034Ca 0.05 0.01 -0.18 0.00 -1.94 0.00 0.00 57.00 54.93 1a49 n GLN 5034Cb 0.02 -1.50 0.08 0.00 0.11 0.00 0.00 30.24 28.95 1a49 n GLN 5034CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1a49 n ASP 5035N -1.21 -1.92 -4.65 1.08 2.03 0.99 -4.98 116.55 107.89 1a49 n ASP 5035Ca 0.16 -0.66 -0.29 0.00 0.52 0.00 0.00 54.79 54.52 1a49 n ASP 5035Cb 0.20 -4.92 0.18 0.00 -0.72 0.00 0.00 41.12 35.86 1a49 n ASP 5035CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1a49 s VAL 5036N -3.42 2.22 -0.16 5.18 -7.23 -0.78 -4.94 120.40 111.27 1a49 s VAL 5036Ca 0.01 0.07 0.14 0.00 -1.81 0.00 0.00 61.98 60.39 1a49 s VAL 5036Cb -0.00 -2.47 -0.24 0.00 0.56 0.00 0.00 36.38 34.23 1a49 s VAL 5036CO 0.75 -0.09 0.20 0.47 -0.31 0.00 0.00 175.10 176.11 1a49 n ASP 5037N -4.24 0.55 -3.56 4.85 8.00 0.41 -4.86 116.55 117.70 1a49 n ASP 5037Ca 0.05 0.10 -0.12 0.00 0.71 0.00 0.00 54.79 55.53 1a49 n ASP 5037Cb 0.56 0.48 -0.04 0.00 -0.02 0.00 0.00 41.12 42.09 1a49 n ASP 5037CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a49 s MET 5038N -2.52 1.10 -0.06 -1.24 0.23 -1.22 -2.19 119.30 113.40 1a49 s MET 5038Ca -0.12 -0.47 0.05 0.00 -1.03 0.00 0.00 55.69 54.12 1a49 s MET 5038Cb 0.07 0.50 -0.02 0.00 -1.53 0.00 0.00 34.83 33.85 1a49 s MET 5038CO 0.80 -0.43 -0.21 0.08 -2.03 0.00 0.00 175.02 173.22 1a49 s VAL 5039N -3.26 2.39 -0.45 5.16 1.01 0.11 -1.86 120.40 123.51 1a49 s VAL 5039Ca -0.01 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 60.89 1a49 s VAL 5039Cb 0.00 -1.90 0.08 0.00 0.00 0.00 0.00 36.38 34.57 1a49 s VAL 5039CO -0.08 0.57 0.34 -0.36 0.00 0.00 0.00 175.10 175.57 1a49 s PHE 5040N -0.32 3.29 -0.40 5.22 0.08 0.23 -0.93 117.98 125.16 1a49 s PHE 5040Ca 0.01 -1.24 -0.25 0.00 0.12 0.00 0.00 56.93 55.58 1a49 s PHE 5040Cb -0.13 -3.14 0.02 0.00 -0.57 0.00 0.00 43.02 39.21 1a49 s PHE 5040CO 0.02 -0.84 0.89 0.00 -0.10 0.00 0.00 175.22 175.20 1a49 s ALA 5041N 1.54 3.36 0.56 5.36 0.00 -0.21 -1.04 121.76 131.33 1a49 s ALA 5041Ca 0.04 -0.61 -0.19 0.00 0.00 0.00 0.00 51.96 51.21 1a49 s ALA 5041Cb -0.24 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.30 1a49 s ALA 5041CO 0.04 -1.72 1.10 -1.12 0.00 0.00 0.00 175.76 174.06 1a49 s SER 5042N 1.99 5.74 -1.40 0.00 0.01 -1.26 -1.14 113.70 117.64 1a49 s SER 5042Ca 0.36 2.07 -0.08 0.00 1.31 0.00 0.00 55.95 59.61 1a49 s SER 5042Cb -0.12 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.58 1a49 s SER 5042CO 0.21 -1.20 0.94 0.33 0.41 0.00 0.00 173.24 173.93 1a49 n PHE 5043N -1.49 -2.29 -2.38 2.43 7.35 -1.26 -4.73 117.46 115.09 1a49 n PHE 5043Ca 0.11 0.91 -0.43 0.00 -0.76 0.00 0.00 57.45 57.28 1a49 n PHE 5043Cb 0.52 -4.41 -0.02 0.00 0.35 0.00 0.00 39.48 35.92 1a49 n PHE 5043CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1a49 s ILE 5044N -3.42 4.21 -0.05 -2.13 -1.09 -0.96 -4.89 121.20 112.88 1a49 s ILE 5044Ca 0.40 1.47 0.13 0.00 -2.23 0.00 0.00 60.65 60.41 1a49 s ILE 5044Cb -0.19 -3.95 -0.20 0.00 -1.58 0.00 0.00 42.46 36.55 1a49 s ILE 5044CO 0.80 -0.13 0.23 0.54 -1.23 0.00 0.00 174.94 175.15 1a49 n ARG 5045N 6.63 0.80 -3.68 2.79 1.74 -1.26 -4.33 116.66 119.34 1a49 n ARG 5045Ca 0.14 -0.09 -0.05 0.00 -0.77 0.00 0.00 57.85 57.08 1a49 n ARG 5045Cb 0.45 -1.32 -0.02 0.00 -1.02 0.00 0.00 32.46 30.55 1a49 n ARG 5045CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1a49 s LYS 5046N -2.78 1.10 0.26 5.56 -2.85 -1.26 -4.15 119.74 115.61 1a49 s LYS 5046Ca -0.05 -0.56 -0.03 0.00 -1.00 0.00 0.00 55.97 54.33 1a49 s LYS 5046Cb 0.07 0.40 0.40 0.00 -2.06 0.00 0.00 37.83 36.65 1a49 s LYS 5046CO 0.55 -0.50 1.88 0.00 0.10 0.00 0.00 175.35 177.39 1a49 h ALA 5047N 2.00 1.38 -0.76 0.59 0.00 -1.88 -1.74 119.26 118.85 1a49 h ALA 5047Ca -0.24 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.73 1a49 h ALA 5047Cb 1.24 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1a49 h ALA 5047CO 0.27 0.45 0.50 0.00 0.00 0.00 0.00 179.25 180.46 1a49 h ALA 5048N 1.45 1.76 -0.26 0.00 0.00 -1.97 -0.44 119.26 119.81 1a49 h ALA 5048Ca 0.43 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.37 1a49 h ALA 5048Cb 0.15 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1a49 h ALA 5048CO -0.17 0.10 -0.04 -0.44 0.00 0.00 0.00 179.25 178.70 1a49 h ASP 5049N 0.72 -0.20 -0.10 0.00 3.32 -1.73 0.28 116.42 118.72 1a49 h ASP 5049Ca 0.34 0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.48 1a49 h ASP 5049Cb 0.38 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1a49 h ASP 5049CO -0.12 -0.07 -0.01 0.58 -1.72 0.00 0.00 179.24 177.90 1a49 h VAL 5050N 0.02 0.92 -0.69 -1.35 2.07 -1.24 -0.29 116.25 115.70 1a49 h VAL 5050Ca 0.12 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.68 1a49 h VAL 5050Cb 0.18 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1a49 h VAL 5050CO -0.25 0.00 0.46 0.45 0.02 0.00 0.00 177.57 178.26 1a49 h HIS 5051N 0.02 0.76 0.82 1.57 3.86 -0.77 0.21 115.15 121.61 1a49 h HIS 5051Ca 0.05 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.23 1a49 h HIS 5051Cb 0.06 -0.25 0.01 0.00 1.06 0.00 0.00 27.41 28.28 1a49 h HIS 5051CO -0.13 0.42 -0.39 0.93 0.86 0.00 0.00 177.93 179.62 1a49 h GLU 5052N 0.77 -1.06 -0.39 2.45 4.39 0.64 0.53 114.58 121.91 1a49 h GLU 5052Ca 0.29 0.07 0.08 0.00 0.34 0.00 0.00 59.36 60.14 1a49 h GLU 5052Cb 0.16 0.24 -0.08 0.00 -0.10 0.00 0.00 28.75 28.98 1a49 h GLU 5052CO -0.09 -0.71 -0.14 0.28 -1.16 0.00 0.00 179.01 177.20 1a49 h VAL 5053N -1.10 0.53 -0.80 3.13 2.07 -0.33 0.64 116.25 120.39 1a49 h VAL 5053Ca -0.11 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.56 1a49 h VAL 5053Cb 0.84 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 1a49 h VAL 5053CO 0.18 0.00 0.53 -0.09 0.02 0.00 0.00 177.57 178.21 1a49 h ARG 5054N -0.05 0.45 -0.29 1.57 9.65 -0.51 -0.64 114.38 124.56 1a49 h ARG 5054Ca 0.19 -0.03 -0.18 0.00 -1.10 0.00 0.00 59.98 58.87 1a49 h ARG 5054Cb 0.35 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.83 1a49 h ARG 5054CO -0.43 0.30 -0.51 -0.22 2.80 0.00 0.00 179.97 181.90 1a49 h LYS 5055N 0.46 0.85 -0.21 0.20 3.64 0.26 -2.99 116.57 118.79 1a49 h LYS 5055Ca 0.40 -0.53 0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1a49 h LYS 5055Cb 0.87 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 1a49 h LYS 5055CO -0.14 1.17 0.11 0.82 -2.27 0.00 0.00 179.45 179.14 1a49 h ILE 5056N 0.63 1.01 0.00 2.00 1.08 0.05 -2.58 117.51 119.70 1a49 h ILE 5056Ca 0.02 -0.08 -0.00 0.00 -0.39 0.00 0.00 64.86 64.40 1a49 h ILE 5056Cb 1.12 0.75 -0.00 0.00 -3.07 0.00 0.00 36.82 35.62 1a49 h ILE 5056CO 0.11 0.04 -0.01 -0.07 -0.69 0.00 0.00 178.15 177.54 1a49 h LEU 5057N 0.24 0.00 0.00 1.44 3.38 -1.42 -3.48 115.31 115.48 1a49 h LEU 5057Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1a49 h LEU 5057Cb 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1a49 h LEU 5057CO -0.05 0.01 -0.00 0.61 0.09 0.00 0.00 178.44 179.10 1a49 n GLY 5058N -1.48 -0.57 0.28 0.83 0.00 -0.98 -0.05 105.19 103.23 1a49 n GLY 5058Ca -0.03 -0.60 0.06 0.00 0.00 0.00 0.00 46.02 45.45 1a49 n GLY 5058CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a49 h GLU 5059N 0.00 0.40 -0.68 1.61 4.39 -1.90 -1.08 114.58 117.32 1a49 h GLU 5059Ca 0.00 -0.02 0.13 0.00 0.34 0.00 0.00 59.36 59.80 1a49 h GLU 5059Cb 0.01 -0.09 -0.09 0.00 -0.10 0.00 0.00 28.75 28.48 1a49 h GLU 5059CO 0.00 0.27 0.23 0.87 -1.16 0.00 0.00 179.01 179.21 1a49 h LYS 5060N 0.41 0.36 -0.80 2.33 1.79 -1.96 -2.43 116.57 116.28 1a49 h LYS 5060Ca 0.44 -0.02 -0.56 0.00 -2.18 0.00 0.00 60.65 58.33 1a49 h LYS 5060Cb 0.70 -0.08 -0.35 0.00 -1.58 0.00 0.00 32.23 30.92 1a49 h LYS 5060CO -0.44 0.24 -0.12 0.41 -1.08 0.00 0.00 179.45 178.46 1a49 n GLY 5061N -1.32 6.05 0.04 3.86 0.00 0.93 -4.70 105.19 110.05 1a49 n GLY 5061Ca 0.12 -2.38 0.09 0.00 0.00 0.00 0.00 46.02 43.85 1a49 n GLY 5061CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1a49 n LYS 5062N -0.83 0.06 0.00 1.61 2.85 -0.60 -2.29 118.16 118.96 1a49 n LYS 5062Ca 0.50 0.26 0.10 0.00 -1.05 0.00 0.00 58.31 58.12 1a49 n LYS 5062Cb 0.87 -1.60 -0.10 0.00 -0.65 0.00 0.00 35.03 33.55 1a49 n LYS 5062CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1a49 n ASN 5063N -1.71 1.16 -4.71 -5.58 5.03 -1.26 -4.86 115.26 103.32 1a49 n ASN 5063Ca 0.04 -1.08 -0.42 0.00 0.87 0.00 0.00 54.58 53.99 1a49 n ASN 5063Cb 0.22 0.92 -0.03 0.00 -1.02 0.00 0.00 39.78 39.87 1a49 n ASN 5063CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1a49 s ILE 5064N -2.92 3.88 0.17 2.41 1.01 -0.97 -4.96 121.20 119.82 1a49 s ILE 5064Ca 0.10 1.33 -0.24 0.00 0.00 0.00 0.00 60.65 61.84 1a49 s ILE 5064Cb 0.16 -3.86 -0.08 0.00 0.01 0.00 0.00 42.46 38.70 1a49 s ILE 5064CO 0.82 0.09 0.76 -0.54 0.00 0.00 0.00 174.94 176.07 1a49 s LYS 5065N 1.28 4.52 -0.36 2.79 1.02 -0.93 -4.88 119.74 123.19 1a49 s LYS 5065Ca 0.60 1.11 -0.10 0.00 0.02 0.00 0.00 55.97 57.61 1a49 s LYS 5065Cb -0.31 -3.21 0.02 0.00 -0.52 0.00 0.00 37.83 33.81 1a49 s LYS 5065CO 0.29 0.55 0.17 0.42 -0.92 0.00 0.00 175.35 175.86 1a49 s ILE 5066N -1.19 4.40 -0.30 2.17 1.01 -1.26 0.09 121.20 126.11 1a49 s ILE 5066Ca 0.36 -0.85 -0.10 0.00 0.00 0.00 0.00 60.65 60.06 1a49 s ILE 5066Cb -0.22 -3.43 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 1a49 s ILE 5066CO 0.25 -0.17 0.17 -0.63 0.00 0.00 0.00 174.94 174.56 1a49 s ILE 5067N 1.53 4.88 -0.02 2.92 -1.09 -0.11 -0.31 121.20 129.00 1a49 s ILE 5067Ca 0.02 -0.21 -0.23 0.00 -2.23 0.00 0.00 60.65 58.00 1a49 s ILE 5067Cb -0.19 -3.43 -0.04 0.00 -1.58 0.00 0.00 42.46 37.22 1a49 s ILE 5067CO 0.06 0.13 0.70 -0.44 -1.23 0.00 0.00 174.94 174.15 1a49 s SER 5068N 1.67 7.05 -0.04 3.58 0.01 -0.42 -1.04 113.70 124.51 1a49 s SER 5068Ca 0.06 1.25 -0.20 0.00 1.31 0.00 0.00 55.95 58.37 1a49 s SER 5068Cb -0.17 -2.42 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 1a49 s SER 5068CO 0.08 -0.04 0.58 -0.54 0.41 0.00 0.00 173.24 173.73 1a49 s LYS 5069N 0.39 4.33 -0.30 12.44 1.02 -0.29 -0.74 119.74 136.58 1a49 s LYS 5069Ca 0.37 0.68 -0.13 0.00 0.02 0.00 0.00 55.97 56.91 1a49 s LYS 5069Cb -0.19 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.71 1a49 s LYS 5069CO 0.19 0.28 0.25 0.42 -0.92 0.00 0.00 175.35 175.57 1a49 s ILE 5070N 0.13 5.27 -0.01 2.17 -1.09 -0.06 -2.27 121.20 125.34 1a49 s ILE 5070Ca 0.31 0.09 0.01 0.00 -2.23 0.00 0.00 60.65 58.83 1a49 s ILE 5070Cb -0.17 -3.64 0.01 0.00 -1.58 0.00 0.00 42.46 37.08 1a49 s ILE 5070CO 0.16 0.12 0.70 -0.62 -1.23 0.00 0.00 174.94 174.07 1a49 n GLU 5071N 5.15 0.66 -3.70 2.79 1.02 -1.26 -2.61 120.64 122.69 1a49 n GLU 5071Ca -0.12 -0.87 -0.09 0.00 -0.02 0.00 0.00 57.16 56.06 1a49 n GLU 5071Cb 0.51 -0.65 -0.02 0.00 -0.02 0.00 0.00 31.44 31.26 1a49 n GLU 5071CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1a49 s ASN 5072N -0.48 -0.36 0.25 1.62 6.03 -1.26 -3.55 114.94 117.18 1a49 s ASN 5072Ca 0.02 -0.39 -0.06 0.00 -1.03 0.00 0.00 52.86 51.40 1a49 s ASN 5072Cb 0.01 0.67 0.47 0.00 -3.03 0.00 0.00 41.25 39.37 1a49 s ASN 5072CO 0.00 -1.19 1.66 0.45 -2.03 0.00 0.00 177.10 175.99 1a49 h HIS 5073N 2.02 0.11 -0.57 1.54 3.86 -1.93 -0.94 115.15 119.24 1a49 h HIS 5073Ca -0.25 0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 58.99 1a49 h HIS 5073Cb 1.27 0.07 -0.03 0.00 1.06 0.00 0.00 27.41 29.79 1a49 h HIS 5073CO 0.35 -0.18 0.29 1.49 0.86 0.00 0.00 177.93 180.74 1a49 h GLU 5074N 0.17 0.80 -0.55 2.45 4.81 -1.91 0.14 114.58 120.50 1a49 h GLU 5074Ca 0.42 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.47 1a49 h GLU 5074Cb 0.75 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1a49 h GLU 5074CO -0.60 0.64 0.04 0.78 -0.73 0.00 0.00 179.01 179.14 1a49 h GLY 5075N 0.76 0.98 0.87 1.92 0.00 -1.53 0.59 103.07 106.65 1a49 h GLY 5075Ca 0.20 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 1a49 h GLY 5075CO -0.03 0.60 -0.29 -2.08 0.00 0.00 0.00 176.54 174.74 1a49 h VAL 5076N 0.85 0.34 -0.49 4.60 2.07 -0.68 -1.36 116.25 121.58 1a49 h VAL 5076Ca 0.17 -0.21 0.10 0.00 0.82 0.00 0.00 66.70 67.58 1a49 h VAL 5076Cb 0.44 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1a49 h VAL 5076CO 0.02 0.03 0.34 0.03 0.02 0.00 0.00 177.57 178.00 1a49 h ARG 5077N -0.96 0.24 -0.57 1.57 3.08 -0.46 -0.14 114.38 117.14 1a49 h ARG 5077Ca -0.08 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1a49 h ARG 5077Cb 0.67 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1a49 h ARG 5077CO 0.14 0.16 0.00 0.54 -1.07 0.00 0.00 179.97 179.73 1a49 n ARG 5078N -4.45 4.42 -0.22 0.04 1.74 0.20 -4.73 116.66 113.65 1a49 n ARG 5078Ca 0.08 -3.06 -0.02 0.00 -0.77 0.00 0.00 57.85 54.08 1a49 n ARG 5078Cb 0.39 -2.13 0.05 0.00 -1.02 0.00 0.00 32.46 29.75 1a49 n ARG 5078CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1a49 h PHE 5079N 3.83 -0.58 -0.51 -1.55 3.57 0.17 -2.23 116.94 119.63 1a49 h PHE 5079Ca 0.00 0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.64 1a49 h PHE 5079Cb 1.79 0.36 -0.06 0.00 2.79 0.00 0.00 35.95 40.83 1a49 h PHE 5079CO 0.95 -0.33 0.18 -0.44 -2.23 0.00 0.00 178.31 176.44 1a49 h ASP 5080N -0.07 0.17 0.56 0.41 3.32 -1.85 0.41 116.42 119.39 1a49 h ASP 5080Ca 0.29 0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.30 1a49 h ASP 5080Cb 0.52 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1a49 h ASP 5080CO -0.70 0.13 -0.49 1.05 -1.72 0.00 0.00 179.24 177.51 1a49 h GLU 5081N 0.35 0.00 -0.20 3.56 4.11 -1.80 -1.62 114.58 118.98 1a49 h GLU 5081Ca 0.24 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.61 1a49 h GLU 5081Cb 0.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1a49 h GLU 5081CO -0.25 0.49 -0.11 0.82 0.07 0.00 0.00 179.01 180.02 1a49 h ILE 5082N 0.00 1.31 -0.10 -1.06 2.04 -1.11 -2.48 117.51 116.11 1a49 h ILE 5082Ca -0.00 -1.19 0.04 0.00 1.00 0.00 0.00 64.86 64.71 1a49 h ILE 5082Cb 0.90 1.66 -0.06 0.00 -0.74 0.00 0.00 36.82 38.58 1a49 h ILE 5082CO 0.06 0.36 -0.32 0.25 0.00 0.00 0.00 178.15 178.50 1a49 h LEU 5083N 0.13 -1.00 -0.83 1.44 5.85 0.18 -1.86 115.31 119.21 1a49 h LEU 5083Ca 0.04 0.14 0.16 0.00 0.84 0.00 0.00 57.88 59.07 1a49 h LEU 5083Cb 0.61 0.42 -0.10 0.00 0.37 0.00 0.00 40.66 41.96 1a49 h LEU 5083CO 0.03 -0.37 0.38 -0.08 -0.34 0.00 0.00 178.44 178.06 1a49 h GLU 5084N -0.42 0.48 0.00 1.25 4.22 -1.29 -0.02 114.58 118.81 1a49 h GLU 5084Ca 0.09 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.50 1a49 h GLU 5084Cb 0.55 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1a49 h GLU 5084CO -0.33 0.32 0.00 0.00 -2.18 0.00 0.00 179.01 176.82 1a49 h ALA 5085N 1.60 1.00 -2.23 2.92 0.00 -1.01 -3.46 119.26 118.07 1a49 h ALA 5085Ca 0.47 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.91 1a49 h ALA 5085Cb 0.75 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.56 1a49 h ALA 5085CO -0.42 0.00 -0.13 -1.12 0.00 0.00 0.00 179.25 177.57 1a49 s SER 5086N -6.05 6.25 0.26 0.00 0.01 -0.02 -4.94 113.70 109.21 1a49 s SER 5086Ca 0.07 0.51 0.16 0.00 1.31 0.00 0.00 55.95 58.00 1a49 s SER 5086Cb 0.06 -2.02 0.06 0.00 0.21 0.00 0.00 66.02 64.32 1a49 s SER 5086CO 0.66 -0.38 1.37 0.44 0.41 0.00 0.00 173.24 175.75 1a49 h ASP 5087N 0.63 0.00 -5.66 2.44 3.32 -0.93 -3.48 116.42 112.75 1a49 h ASP 5087Ca -0.49 0.00 0.28 0.00 0.02 0.00 0.00 57.03 56.84 1a49 h ASP 5087Cb 1.22 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.69 1a49 h ASP 5087CO 0.61 0.47 0.76 -0.83 -1.72 0.00 0.00 179.24 178.53 1a49 s GLY 5088N -4.48 -0.16 0.06 2.75 0.00 -0.88 -4.17 107.32 100.45 1a49 s GLY 5088Ca 0.03 0.14 0.03 0.00 0.00 0.00 0.00 44.72 44.92 1a49 s GLY 5088CO 0.75 2.65 -0.09 -0.42 0.00 0.00 0.00 173.10 175.99 1a49 s ILE 5089N -2.30 0.67 -0.14 0.90 -1.09 -0.69 -1.30 121.20 117.25 1a49 s ILE 5089Ca 0.21 -1.28 0.01 0.00 -2.23 0.00 0.00 60.65 57.36 1a49 s ILE 5089Cb 0.00 -0.89 0.02 0.00 -1.58 0.00 0.00 42.46 40.02 1a49 s ILE 5089CO 0.00 -0.45 -0.17 -0.32 -1.23 0.00 0.00 174.94 172.78 1a49 s MET 5090N -2.03 2.54 -1.24 2.79 -2.45 0.08 -0.58 119.30 118.41 1a49 s MET 5090Ca -0.05 -0.66 -0.20 0.00 -1.25 0.00 0.00 55.69 53.54 1a49 s MET 5090Cb -0.07 -2.20 0.04 0.00 1.25 0.00 0.00 34.83 33.84 1a49 s MET 5090CO -0.00 -0.15 1.75 0.08 1.05 0.00 0.00 175.02 177.75 1a49 s VAL 5091N 1.22 3.98 -1.16 10.11 1.01 0.22 -0.89 120.40 134.89 1a49 s VAL 5091Ca 0.00 -1.58 -0.23 0.00 0.00 0.00 0.00 61.98 60.18 1a49 s VAL 5091Cb -0.14 -5.04 -0.09 0.00 0.00 0.00 0.00 36.38 31.11 1a49 s VAL 5091CO -0.08 -1.80 1.93 0.00 0.00 0.00 0.00 175.10 175.15 1a49 n ALA 5092N 9.71 1.94 0.29 5.51 0.00 -1.07 -2.88 120.51 134.00 1a49 n ALA 5092Ca 0.46 -3.05 0.15 0.00 0.00 0.00 0.00 53.44 51.00 1a49 n ALA 5092Cb 0.47 -3.49 0.86 0.00 0.00 0.00 0.00 19.45 17.28 1a49 n ALA 5092CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a49 h ARG 5093N 9.54 0.00 0.72 0.00 3.08 -1.81 -2.05 114.38 123.86 1a49 h ARG 5093Ca 0.24 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.25 1a49 h ARG 5093Cb 0.92 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.97 1a49 h ARG 5093CO 1.28 0.05 -0.35 0.78 -1.07 0.00 0.00 179.97 180.66 1a49 h GLY 5094N 0.43 -1.02 1.02 0.04 0.00 -1.85 -2.20 103.07 99.50 1a49 h GLY 5094Ca -0.00 0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.69 1a49 h GLY 5094CO 0.01 -0.37 0.43 -0.55 0.00 0.00 0.00 176.54 176.06 1a49 h ASP 5095N -1.20 1.03 -0.20 0.19 3.32 -1.88 -1.74 116.42 115.95 1a49 h ASP 5095Ca -0.10 -0.11 0.06 0.00 0.02 0.00 0.00 57.03 56.90 1a49 h ASP 5095Cb 0.75 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1a49 h ASP 5095CO 0.16 0.85 0.18 0.25 -1.72 0.00 0.00 179.24 178.96 1a49 h LEU 5096N 1.14 0.00 -0.44 1.55 5.85 -1.38 -0.80 115.31 121.23 1a49 h LEU 5096Ca 0.29 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1a49 h LEU 5096Cb 0.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1a49 h LEU 5096CO -0.04 0.00 -0.25 0.61 -0.34 0.00 0.00 178.44 178.42 1a49 n GLY 5097N -1.47 -0.67 0.13 3.75 0.00 -0.67 -1.60 105.19 104.67 1a49 n GLY 5097Ca 0.02 -0.39 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 1a49 n GLY 5097CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1a49 n ILE 5098N -0.72 1.71 0.18 -0.61 5.41 -0.37 -4.03 119.36 120.93 1a49 n ILE 5098Ca 0.12 -0.53 -0.14 0.00 1.00 0.00 0.00 62.75 63.20 1a49 n ILE 5098Cb 0.34 -1.77 -0.08 0.00 -0.71 0.00 0.00 39.64 37.42 1a49 n ILE 5098CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1a49 h GLU 5099N -0.15 -0.40 -6.18 0.38 4.39 -1.38 -3.45 114.58 107.78 1a49 h GLU 5099Ca -0.43 0.03 -0.51 0.00 0.34 0.00 0.00 59.36 58.78 1a49 h GLU 5099Cb 1.88 0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 30.57 1a49 h GLU 5099CO 0.00 -0.18 -0.51 0.96 -1.16 0.00 0.00 179.01 178.12 1a49 s ILE 5100N -5.55 3.75 0.24 3.13 -4.36 -0.63 -4.59 121.20 113.20 1a49 s ILE 5100Ca -0.15 -1.49 -0.31 0.00 -0.26 0.00 0.00 60.65 58.44 1a49 s ILE 5100Cb 0.04 -3.19 -0.13 0.00 1.25 0.00 0.00 42.46 40.42 1a49 s ILE 5100CO 0.61 -0.26 1.37 -2.65 0.24 0.00 0.00 174.94 174.26 1a49 n PRO 5101N -1.22 1.97 -0.34 0.37 -0.02 -1.26 -4.50 135.00 130.00 1a49 n PRO 5101Ca -0.05 0.70 0.04 0.00 -2.02 0.00 0.00 63.50 62.17 1a49 n PRO 5101Cb 0.59 -2.33 0.21 0.00 -0.02 0.00 0.00 33.50 31.95 1a49 n PRO 5101CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a49 h ALA 5102N 3.99 1.46 0.00 3.55 0.00 -1.92 -0.28 119.26 126.06 1a49 h ALA 5102Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1a49 h ALA 5102Cb 1.28 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1a49 h ALA 5102CO 0.74 0.39 0.00 -0.85 0.00 0.00 0.00 179.25 179.53 1a49 n GLU 5103N -4.50 0.03 0.00 0.00 0.00 -1.26 -2.08 120.64 112.83 1a49 n GLU 5103Ca 0.15 0.47 0.09 0.00 0.00 0.00 0.00 57.16 57.87 1a49 n GLU 5103Cb 0.20 -1.58 0.02 0.00 0.00 0.00 0.00 31.44 30.08 1a49 n GLU 5103CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1a49 n LYS 5104N -1.64 1.58 -0.32 3.44 5.02 -0.12 -4.55 118.16 121.56 1a49 n LYS 5104Ca 0.00 -1.09 0.01 0.00 -2.02 0.00 0.00 58.31 55.22 1a49 n LYS 5104Cb 0.04 -1.32 0.15 0.00 -0.02 0.00 0.00 35.03 33.88 1a49 n LYS 5104CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1a49 h VAL 5105N 2.45 1.05 -0.34 -0.18 2.07 -1.45 -2.20 116.25 117.64 1a49 h VAL 5105Ca 0.00 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1a49 h VAL 5105Cb 0.64 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1a49 h VAL 5105CO 0.00 0.19 0.23 2.19 0.02 0.00 0.00 177.57 180.20 1a49 h PHE 5106N 1.02 0.33 -0.28 1.57 -0.00 -1.81 0.49 116.94 118.26 1a49 h PHE 5106Ca 0.39 0.01 -0.01 0.00 -0.00 0.00 0.00 57.97 58.36 1a49 h PHE 5106Cb 0.18 -0.11 -0.01 0.00 -0.00 0.00 0.00 35.95 36.00 1a49 h PHE 5106CO -0.02 0.20 0.14 -0.07 -0.00 0.00 0.00 178.31 178.55 1a49 h LEU 5107N 0.35 0.37 -0.42 2.10 3.38 -1.72 -0.30 115.31 119.07 1a49 h LEU 5107Ca 0.14 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1a49 h LEU 5107Cb 0.13 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1a49 h LEU 5107CO -0.03 0.38 0.03 0.00 0.09 0.00 0.00 178.44 178.91 1a49 h ALA 5108N 1.00 0.56 -0.16 1.53 0.00 -1.12 -0.05 119.26 121.03 1a49 h ALA 5108Ca 0.10 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1a49 h ALA 5108Cb 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1a49 h ALA 5108CO -0.01 0.31 0.10 0.37 0.00 0.00 0.00 179.25 180.02 1a49 h GLN 5109N 0.56 0.22 -0.71 0.00 4.15 -0.64 -0.97 115.11 117.72 1a49 h GLN 5109Ca 0.12 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.46 1a49 h GLN 5109Cb 0.43 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.05 1a49 h GLN 5109CO 0.02 0.18 0.20 0.87 -1.93 0.00 0.00 178.83 178.17 1a49 h LYS 5110N 0.19 1.12 -0.54 1.69 1.57 -0.91 0.10 116.57 119.80 1a49 h LYS 5110Ca 0.06 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 1a49 h LYS 5110Cb 0.02 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1a49 h LYS 5110CO -0.01 0.97 0.27 1.98 -0.57 0.00 0.00 179.45 182.09 1a49 h MET 5111N 1.06 0.77 -0.37 3.15 4.05 -0.94 -0.08 114.93 122.57 1a49 h MET 5111Ca 0.23 -0.11 -0.06 0.00 -0.28 0.00 0.00 59.70 59.48 1a49 h MET 5111Cb 0.34 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.98 1a49 h MET 5111CO -0.00 0.63 -0.01 0.82 0.23 0.00 0.00 176.91 178.58 1a49 h ILE 5112N 0.72 1.26 -0.22 1.77 2.04 -0.80 -1.60 117.51 120.69 1a49 h ILE 5112Ca 0.19 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 1a49 h ILE 5112Cb 0.11 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1a49 h ILE 5112CO -0.02 0.33 0.11 0.40 0.00 0.00 0.00 178.15 178.97 1a49 h ILE 5113N 0.47 1.12 0.07 -0.67 2.04 -0.62 0.40 117.51 120.33 1a49 h ILE 5113Ca 0.10 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.63 1a49 h ILE 5113Cb 0.47 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1a49 h ILE 5113CO 0.02 0.12 -0.28 1.23 0.00 0.00 0.00 178.15 179.24 1a49 h GLY 5114N 0.24 -1.19 0.02 5.37 0.00 -0.90 0.15 103.07 106.76 1a49 h GLY 5114Ca 0.08 0.58 0.23 0.00 0.00 0.00 0.00 47.33 48.22 1a49 h GLY 5114CO -0.01 -0.36 0.63 3.21 0.00 0.00 0.00 176.54 180.01 1a49 h ARG 5115N -0.40 0.51 -0.22 4.80 3.08 -1.24 0.28 114.38 121.18 1a49 h ARG 5115Ca -0.00 -0.03 -0.19 0.00 0.07 0.00 0.00 59.98 59.83 1a49 h ARG 5115Cb 0.40 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1a49 h ARG 5115CO -0.15 0.34 -0.61 0.00 -1.07 0.00 0.00 179.97 178.48 1a49 h ASN 5117N 0.56 0.37 -0.62 0.00 -0.26 0.60 0.20 115.58 116.43 1a49 h ASN 5117Ca -0.00 -0.17 0.12 0.00 -0.56 0.00 0.00 56.30 55.69 1a49 h ASN 5117Cb 1.21 -0.10 -0.09 0.00 -1.06 0.00 0.00 38.32 38.28 1a49 h ASN 5117CO 0.13 0.43 0.10 -0.09 -1.06 0.00 0.00 177.43 176.94 1a49 h ARG 5118N 0.28 0.22 0.00 0.81 2.43 -0.47 -2.09 114.38 115.55 1a49 h ARG 5118Ca 0.09 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1a49 h ARG 5118Cb 0.18 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1a49 h ARG 5118CO -0.01 0.14 -0.31 0.00 -1.51 0.00 0.00 179.97 178.28 1a49 n ALA 5119N -2.65 2.75 -2.00 2.80 0.00 -0.44 -4.90 120.51 116.07 1a49 n ALA 5119Ca 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 53.44 53.35 1a49 n ALA 5119Cb 0.34 -1.30 -0.00 0.00 0.00 0.00 0.00 19.45 18.49 1a49 n ALA 5119CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a49 n GLY 5120N 1.39 0.33 3.47 0.00 0.00 0.56 -5.05 105.19 105.88 1a49 n GLY 5120Ca 0.05 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 1a49 n GLY 5120CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a49 s LYS 5121N -4.02 3.23 0.30 1.61 1.02 -0.38 -4.94 119.74 116.56 1a49 s LYS 5121Ca 0.00 -0.60 -0.29 0.00 0.02 0.00 0.00 55.97 55.10 1a49 s LYS 5121Cb 0.00 -2.68 -0.13 0.00 -0.52 0.00 0.00 37.83 34.50 1a49 s LYS 5121CO 0.00 0.37 1.28 -0.35 -0.92 0.00 0.00 175.35 175.73 1a49 n PRO 5122N 3.09 1.95 -4.31 -1.68 -0.04 -1.26 -4.50 135.00 128.26 1a49 n PRO 5122Ca -0.18 0.69 -0.20 0.00 -0.04 0.00 0.00 63.50 63.77 1a49 n PRO 5122Cb 0.53 -2.26 -0.16 0.00 -0.04 0.00 0.00 33.50 31.57 1a49 n PRO 5122CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1a49 s VAL 5123N -0.76 0.70 -0.18 0.52 0.11 -1.26 -1.70 120.40 117.83 1a49 s VAL 5123Ca 0.60 -0.27 -0.06 0.00 -2.93 0.00 0.00 61.98 59.32 1a49 s VAL 5123Cb -0.62 -0.66 -0.04 0.00 -1.53 0.00 0.00 36.38 33.53 1a49 s VAL 5123CO 0.58 0.24 0.03 -0.63 -3.33 0.00 0.00 175.10 171.99 1a49 s ILE 5124N 0.50 4.49 -0.17 7.04 1.01 0.25 -0.82 121.20 133.52 1a49 s ILE 5124Ca -0.08 -0.14 -0.19 0.00 0.00 0.00 0.00 60.65 60.25 1a49 s ILE 5124Cb -0.11 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 1a49 s ILE 5124CO 0.01 0.46 0.52 0.00 0.00 0.00 0.00 174.94 175.93 1a49 s ALA 5126N 1.26 1.09 0.00 0.00 0.00 -1.14 -2.05 121.76 120.92 1a49 s ALA 5126Ca 0.25 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1a49 s ALA 5126Cb -0.15 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.02 1a49 s ALA 5126CO 0.10 -0.07 0.00 2.41 0.00 0.00 0.00 175.76 178.20 1a49 n THR 5127N 0.46 -1.53 -1.36 0.00 -1.04 -1.26 -2.97 114.28 106.58 1a49 n THR 5127Ca -0.15 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.73 1a49 n THR 5127Cb 0.58 -1.84 -0.05 0.00 -1.82 0.00 0.00 70.33 67.20 1a49 n THR 5127CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a49 n GLN 5128N 0.71 -1.03 -0.36 -2.82 6.02 -1.26 -4.73 117.38 113.91 1a49 n GLN 5128Ca 0.00 0.91 0.02 0.00 -0.01 0.00 0.00 57.00 57.93 1a49 n GLN 5128Cb 0.00 -5.00 0.17 0.00 1.02 0.00 0.00 30.24 26.43 1a49 n GLN 5128CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1a49 h MET 5129N 0.04 1.11 -0.39 -1.09 2.86 -1.89 -3.12 114.93 112.45 1a49 h MET 5129Ca -0.25 -0.07 -0.28 0.00 -2.06 0.00 0.00 59.70 57.04 1a49 h MET 5129Cb 0.89 -0.25 -0.37 0.00 0.06 0.00 0.00 31.60 31.93 1a49 h MET 5129CO 0.37 0.73 -0.98 1.28 1.06 0.00 0.00 176.91 179.37 1a49 n LEU 5130N -4.52 2.36 -0.31 1.22 4.77 -1.26 -4.56 117.00 114.70 1a49 n LEU 5130Ca 0.15 -3.32 -0.01 0.00 -0.03 0.00 0.00 56.01 52.80 1a49 n LEU 5130Cb 0.19 0.11 0.03 0.00 -2.33 0.00 0.00 43.42 41.42 1a49 n LEU 5130CO 0.32 1.22 0.47 1.21 -1.33 0.00 0.00 177.39 179.28 1a49 n GLU 5131N -0.47 -0.19 0.04 3.23 4.07 -1.18 -1.00 120.64 125.13 1a49 n GLU 5131Ca 0.17 1.25 0.22 0.00 -0.06 0.00 0.00 57.16 58.73 1a49 n GLU 5131Cb 0.89 -1.85 0.73 0.00 -0.06 0.00 0.00 31.44 31.16 1a49 n GLU 5131CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1a49 h SER 5132N 0.00 0.00 0.00 4.31 4.64 -1.93 -0.73 113.55 119.84 1a49 h SER 5132Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1a49 h SER 5132Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1a49 h SER 5132CO -0.80 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.39 1a49 n MET 5133N -3.82 0.36 0.14 4.77 2.81 -0.17 -1.50 117.12 119.72 1a49 n MET 5133Ca 0.09 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.98 1a49 n MET 5133Cb 0.69 -1.47 0.20 0.00 -0.71 0.00 0.00 33.22 31.92 1a49 n MET 5133CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1a49 h ILE 5134N 0.00 1.34 0.00 2.02 2.04 -1.30 -3.32 117.51 118.29 1a49 h ILE 5134Ca 0.00 -2.03 0.00 0.00 1.00 0.00 0.00 64.86 63.83 1a49 h ILE 5134Cb 0.00 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1a49 h ILE 5134CO 0.00 0.57 -0.12 0.29 0.00 0.00 0.00 178.15 178.88 1a49 n LYS 5135N -3.74 6.17 -4.24 2.37 4.76 -0.83 0.94 118.16 123.59 1a49 n LYS 5135Ca -0.01 -0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.22 1a49 n LYS 5135Cb 0.60 -0.60 -0.12 0.00 -1.84 0.00 0.00 35.03 33.07 1a49 n LYS 5135CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1a49 s LYS 5136N -1.20 0.97 0.16 1.97 1.02 -0.56 -4.94 119.74 117.16 1a49 s LYS 5136Ca 0.01 -1.04 0.26 0.00 0.02 0.00 0.00 55.97 55.22 1a49 s LYS 5136Cb 0.01 -1.10 0.93 0.00 -0.52 0.00 0.00 37.83 37.15 1a49 s LYS 5136CO 0.07 0.25 1.80 -0.35 -0.92 0.00 0.00 175.35 176.21 1a49 n PRO 5137N 1.23 0.18 -4.33 -1.68 -0.04 -1.26 -4.23 135.00 124.87 1a49 n PRO 5137Ca -0.20 0.18 -0.20 0.00 -0.04 0.00 0.00 63.50 63.23 1a49 n PRO 5137Cb 0.54 -1.73 -0.13 0.00 -0.04 0.00 0.00 33.50 32.14 1a49 n PRO 5137CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1a49 s ARG 5138N -3.09 0.94 0.67 0.54 0.52 -1.26 -4.93 118.95 112.34 1a49 s ARG 5138Ca 0.11 -0.80 -0.07 0.00 -0.52 0.00 0.00 55.73 54.45 1a49 s ARG 5138Cb 0.14 -0.96 0.04 0.00 0.52 0.00 0.00 34.95 34.69 1a49 s ARG 5138CO 0.56 0.23 0.98 -1.25 0.02 0.00 0.00 175.30 175.84 1a49 s PRO 5139N -1.25 2.46 0.78 3.54 0.04 -1.26 -4.66 135.00 134.64 1a49 s PRO 5139Ca 0.01 -0.14 -0.10 0.00 0.04 0.00 0.00 61.00 60.82 1a49 s PRO 5139Cb -0.08 -2.19 0.09 0.00 0.04 0.00 0.00 34.50 32.35 1a49 s PRO 5139CO 0.01 -1.06 1.12 0.95 0.04 0.00 0.00 177.00 178.07 1a49 s THR 5140N -3.17 2.12 0.21 1.26 -4.23 -1.26 -4.89 115.64 105.67 1a49 s THR 5140Ca 0.58 -0.13 -0.10 0.00 -1.18 0.00 0.00 61.69 60.85 1a49 s THR 5140Cb -0.11 -2.98 0.15 0.00 1.34 0.00 0.00 72.50 70.90 1a49 s THR 5140CO 0.45 0.00 1.87 0.03 -0.54 0.00 0.00 174.62 176.43 1a49 h ARG 5141N -0.92 0.99 -0.89 3.99 2.47 -1.99 -0.86 114.38 117.17 1a49 h ARG 5141Ca -0.45 -0.07 0.08 0.00 -1.26 0.00 0.00 59.98 58.28 1a49 h ARG 5141Cb 1.31 -0.22 -0.06 0.00 -1.65 0.00 0.00 29.97 29.35 1a49 h ARG 5141CO 0.60 0.67 0.58 0.00 0.56 0.00 0.00 179.97 182.37 1a49 h ALA 5142N 1.26 1.57 -0.34 0.04 0.00 -1.99 0.00 119.26 119.81 1a49 h ALA 5142Ca 0.27 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 1a49 h ALA 5142Cb -0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1a49 h ALA 5142CO -0.06 0.27 -0.29 0.93 0.00 0.00 0.00 179.25 180.10 1a49 h GLU 5143N 0.95 0.71 -0.29 0.00 5.08 -1.61 0.33 114.58 119.74 1a49 h GLU 5143Ca 0.39 -0.31 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1a49 h GLU 5143Cb 0.29 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1a49 h GLU 5143CO -0.16 0.92 -0.09 0.78 -1.00 0.00 0.00 179.01 179.46 1a49 h GLY 5144N 0.97 0.63 0.94 -3.84 0.00 0.31 -1.82 103.07 100.28 1a49 h GLY 5144Ca 0.07 -0.53 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 1a49 h GLY 5144CO 0.07 0.49 0.08 1.48 0.00 0.00 0.00 176.54 178.65 1a49 h SER 5145N 0.34 0.65 -0.39 0.19 4.64 -0.80 -1.90 113.55 116.29 1a49 h SER 5145Ca 0.07 -0.25 0.08 0.00 -0.47 0.00 0.00 61.79 61.22 1a49 h SER 5145Cb 0.58 -0.17 -0.09 0.00 -0.31 0.00 0.00 62.40 62.41 1a49 h SER 5145CO 0.03 0.74 -0.22 -0.78 -0.87 0.00 0.00 176.83 175.74 1a49 h ASP 5146N 0.54 -0.73 -0.48 4.97 3.58 -0.32 0.84 116.42 124.82 1a49 h ASP 5146Ca 0.13 0.16 -0.10 0.00 0.42 0.00 0.00 57.03 57.64 1a49 h ASP 5146Cb 0.36 0.38 -0.02 0.00 1.72 0.00 0.00 39.33 41.77 1a49 h ASP 5146CO 0.01 -0.25 -0.06 0.58 -2.88 0.00 0.00 179.24 176.64 1a49 h VAL 5147N -0.15 1.26 -0.04 2.25 2.07 -1.20 -2.14 116.25 118.30 1a49 h VAL 5147Ca 0.19 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1a49 h VAL 5147Cb 0.45 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1a49 h VAL 5147CO -0.48 0.41 -0.00 0.00 0.02 0.00 0.00 177.57 177.52 1a49 h ALA 5148N 1.08 0.05 0.00 1.67 0.00 0.16 -2.84 119.26 119.38 1a49 h ALA 5148Ca 0.15 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1a49 h ALA 5148Cb 0.58 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1a49 h ALA 5148CO 0.04 -0.28 -0.02 -0.91 0.00 0.00 0.00 179.25 178.07 1a49 h ASN 5149N -0.23 0.00 -0.26 0.00 -0.26 0.58 0.53 115.58 115.93 1a49 h ASN 5149Ca 0.01 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.61 1a49 h ASN 5149Cb 0.33 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.59 1a49 h ASN 5149CO 0.00 0.02 -0.39 0.00 -1.06 0.00 0.00 177.43 176.00 1a49 h ALA 5150N 1.98 0.40 -0.40 -0.83 0.00 -1.30 0.23 119.26 119.33 1a49 h ALA 5150Ca -0.00 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 1a49 h ALA 5150Cb 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1a49 h ALA 5150CO 0.00 0.50 -0.13 0.28 0.00 0.00 0.00 179.25 179.90 1a49 h VAL 5151N 0.47 1.28 0.00 0.00 2.07 -0.80 -1.73 116.25 117.53 1a49 h VAL 5151Ca 0.03 -1.25 -0.08 0.00 0.82 0.00 0.00 66.70 66.22 1a49 h VAL 5151Cb 0.98 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1a49 h VAL 5151CO 0.09 0.42 -0.39 -0.07 0.02 0.00 0.00 177.57 177.63 1a49 h LEU 5152N 0.62 0.00 -1.34 2.57 3.38 -0.95 -2.40 115.31 117.18 1a49 h LEU 5152Ca 0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1a49 h LEU 5152Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1a49 h LEU 5152CO 0.05 0.39 -0.25 0.44 0.09 0.00 0.00 178.44 179.16 1a49 h ASP 5153N 0.00 0.11 0.00 -0.43 3.32 -0.27 -3.47 116.42 115.68 1a49 h ASP 5153Ca -0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1a49 h ASP 5153Cb 0.81 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1a49 h ASP 5153CO 0.05 0.37 0.00 0.61 -1.72 0.00 0.00 179.24 178.55 1a49 n GLY 5154N -0.69 1.56 3.72 2.75 0.00 -0.90 -4.66 105.19 106.97 1a49 n GLY 5154Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1a49 n GLY 5154CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a49 n ALA 5155N 0.00 2.23 -0.05 4.61 0.00 -0.69 -4.90 120.51 121.71 1a49 n ALA 5155Ca 0.00 0.39 -0.15 0.00 0.00 0.00 0.00 53.44 53.68 1a49 n ALA 5155Cb 0.00 -2.43 -0.08 0.00 0.00 0.00 0.00 19.45 16.95 1a49 n ALA 5155CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1a49 h ASP 5156N 5.10 0.54 -4.01 0.00 5.19 -1.29 -3.45 116.42 118.50 1a49 h ASP 5156Ca -0.46 -0.58 -0.43 0.00 -0.62 0.00 0.00 57.03 54.94 1a49 h ASP 5156Cb 1.23 -0.16 -0.18 0.00 0.18 0.00 0.00 39.33 40.40 1a49 h ASP 5156CO 0.82 1.02 -0.76 0.00 -3.12 0.00 0.00 179.24 177.20 1a49 s ILE 5158N -2.11 2.59 0.04 0.00 -4.36 -0.70 -1.08 121.20 115.58 1a49 s ILE 5158Ca 0.09 -1.82 0.00 0.00 -0.26 0.00 0.00 60.65 58.67 1a49 s ILE 5158Cb -0.05 -2.91 -0.03 0.00 1.25 0.00 0.00 42.46 40.71 1a49 s ILE 5158CO 0.03 -0.12 -0.04 -0.32 0.24 0.00 0.00 174.94 174.73 1a49 s MET 5159N -3.81 0.52 -0.06 0.37 1.75 -0.87 -1.26 119.30 115.94 1a49 s MET 5159Ca 0.38 -0.96 0.04 0.00 -1.25 0.00 0.00 55.69 53.89 1a49 s MET 5159Cb 0.01 0.06 0.00 0.00 2.84 0.00 0.00 34.83 37.74 1a49 s MET 5159CO 0.21 -0.06 -0.16 -0.51 -0.65 0.00 0.00 175.02 173.85 1a49 s LEU 5160N -2.25 1.85 0.00 4.11 1.43 0.13 -4.47 118.68 119.48 1a49 s LEU 5160Ca -0.03 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1a49 s LEU 5160Cb -0.01 -0.98 0.00 0.00 0.03 0.00 0.00 46.19 45.23 1a49 s LEU 5160CO -0.05 0.11 0.00 -1.20 0.23 0.00 0.00 176.35 175.45 1a49 n SER 5161N 3.42 0.00 -0.02 2.29 7.64 -1.26 -1.78 113.62 123.92 1a49 n SER 5161Ca -0.20 0.00 0.16 0.00 1.01 0.00 0.00 58.87 59.84 1a49 n SER 5161Cb 0.53 0.00 0.60 0.00 -1.01 0.00 0.00 64.21 64.33 1a49 n SER 5161CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1a49 h GLY 5162N 0.00 0.27 -0.03 0.23 0.00 -1.97 -0.76 103.07 100.81 1a49 h GLY 5162Ca 0.00 -0.08 0.19 0.00 0.00 0.00 0.00 47.33 47.44 1a49 h GLY 5162CO 0.00 0.04 0.39 0.83 0.00 0.00 0.00 176.54 177.80 1a49 h GLU 5163N 0.18 0.46 0.00 4.80 3.07 -1.89 0.30 114.58 121.49 1a49 h GLU 5163Ca 0.24 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 1a49 h GLU 5163Cb 0.72 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 1a49 h GLU 5163CO -0.04 0.30 -1.26 0.25 -1.40 0.00 0.00 179.01 176.86 1a49 n THR 5164N -4.99 0.00 -0.02 1.13 -2.24 -0.93 -3.87 114.28 103.36 1a49 n THR 5164Ca 0.19 -0.26 -0.08 0.00 -2.27 0.00 0.00 64.05 61.63 1a49 n THR 5164Cb 0.56 0.44 -0.14 0.00 -2.10 0.00 0.00 70.33 69.09 1a49 n THR 5164CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a49 h ALA 5165N 1.25 0.76 0.00 6.98 0.00 -0.70 -3.33 119.26 124.21 1a49 h ALA 5165Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 54.91 53.47 1a49 h ALA 5165Cb 0.47 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1a49 h ALA 5165CO 0.00 1.57 -0.08 0.36 0.00 0.00 0.00 179.25 181.10 1a49 n LYS 5166N -3.05 3.37 -0.90 0.00 2.85 -0.64 -1.25 118.16 118.55 1a49 n LYS 5166Ca -0.16 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.81 1a49 n LYS 5166Cb 1.04 -0.35 0.20 0.00 -0.65 0.00 0.00 35.03 35.27 1a49 n LYS 5166CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1a49 s GLY 5167N -0.21 1.58 0.23 2.58 0.00 0.96 -4.70 107.32 107.75 1a49 s GLY 5167Ca 0.00 -0.14 0.25 0.00 0.00 0.00 0.00 44.72 44.83 1a49 s GLY 5167CO 0.00 0.48 1.76 1.22 0.00 0.00 0.00 173.10 176.56 1a49 n ASP 5168N -4.42 0.78 -3.15 1.64 8.00 0.27 -4.27 116.55 115.40 1a49 n ASP 5168Ca 0.05 0.60 -0.22 0.00 0.71 0.00 0.00 54.79 55.94 1a49 n ASP 5168Cb 0.55 -0.80 -0.04 0.00 -0.02 0.00 0.00 41.12 40.81 1a49 n ASP 5168CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1a49 n TYR 5169N -2.26 1.24 -0.20 1.24 4.01 -1.25 -4.94 117.16 114.99 1a49 n TYR 5169Ca 0.04 -3.84 -0.06 0.00 -0.16 0.00 0.00 57.90 53.88 1a49 n TYR 5169Cb 0.37 -0.43 0.04 0.00 -0.31 0.00 0.00 39.34 39.01 1a49 n TYR 5169CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1a49 h PRO 5170N 3.23 0.73 -0.10 -0.72 0.13 -1.74 -2.51 132.00 131.02 1a49 h PRO 5170Ca 0.11 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.18 1a49 h PRO 5170Cb 0.82 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 31.79 1a49 h PRO 5170CO 0.59 0.48 -0.00 -0.07 -0.23 0.00 0.00 178.00 178.77 1a49 h LEU 5171N 0.75 0.18 -0.95 1.56 3.38 -1.92 -2.87 115.31 115.43 1a49 h LEU 5171Ca 0.22 -0.31 0.16 0.00 0.09 0.00 0.00 57.88 58.04 1a49 h LEU 5171Cb -0.05 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 40.56 1a49 h LEU 5171CO -0.07 0.44 0.56 -0.33 0.09 0.00 0.00 178.44 179.14 1a49 h GLU 5172N -0.10 0.76 0.59 1.13 3.07 -1.92 0.14 114.58 118.25 1a49 h GLU 5172Ca 0.03 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 1a49 h GLU 5172Cb 0.35 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1a49 h GLU 5172CO 0.01 0.50 -0.30 0.00 -1.40 0.00 0.00 179.01 177.82 1a49 h ALA 5173N 1.59 -0.81 -0.83 3.43 0.00 -1.24 0.51 119.26 121.90 1a49 h ALA 5173Ca 0.52 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.33 1a49 h ALA 5173Cb 0.71 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 1a49 h ALA 5173CO -0.35 -0.96 0.49 0.28 0.00 0.00 0.00 179.25 178.72 1a49 h VAL 5174N -0.81 0.97 -0.46 0.00 2.07 -1.31 -0.22 116.25 116.49 1a49 h VAL 5174Ca -0.08 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.06 1a49 h VAL 5174Cb 0.63 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1a49 h VAL 5174CO 0.13 0.16 -0.06 0.03 0.02 0.00 0.00 177.57 177.85 1a49 h ARG 5175N 0.87 0.80 -0.35 1.57 3.08 0.27 -2.50 114.38 118.11 1a49 h ARG 5175Ca 0.38 -0.24 -0.12 0.00 0.07 0.00 0.00 59.98 60.07 1a49 h ARG 5175Cb 0.27 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1a49 h ARG 5175CO -0.21 0.84 -0.23 1.98 -1.07 0.00 0.00 179.97 181.28 1a49 h MET 5176N 0.73 0.78 -0.86 0.04 4.05 0.55 -2.12 114.93 118.11 1a49 h MET 5176Ca 0.13 -0.37 -0.01 0.00 -0.28 0.00 0.00 59.70 59.17 1a49 h MET 5176Cb 0.53 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.28 1a49 h MET 5176CO 0.03 1.00 0.50 1.96 0.23 0.00 0.00 176.91 180.62 1a49 h GLN 5177N 0.57 1.18 0.37 0.39 4.20 -0.81 -1.86 115.11 119.15 1a49 h GLN 5177Ca 0.07 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1a49 h GLN 5177Cb 0.80 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 1a49 h GLN 5177CO 0.06 0.85 -0.35 1.25 -0.67 0.00 0.00 178.83 179.97 1a49 h HIS 5178N 1.19 -0.95 -0.43 2.96 2.76 -1.35 -0.64 115.15 118.69 1a49 h HIS 5178Ca 0.31 0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.55 1a49 h HIS 5178Cb -0.01 0.37 -0.06 0.00 1.55 0.00 0.00 27.41 29.25 1a49 h HIS 5178CO 0.00 -0.50 0.07 -0.07 -1.30 0.00 0.00 177.93 176.13 1a49 h LEU 5179N -0.74 -0.03 0.01 0.26 3.38 -1.17 -2.13 115.31 114.88 1a49 h LEU 5179Ca -0.03 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1a49 h LEU 5179Cb 0.66 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1a49 h LEU 5179CO -0.05 0.02 -0.01 0.40 0.09 0.00 0.00 178.44 178.89 1a49 h ILE 5180N 0.20 1.01 -0.71 1.22 2.04 -1.27 -2.90 117.51 117.10 1a49 h ILE 5180Ca 0.21 -0.07 0.09 0.00 1.00 0.00 0.00 64.86 66.09 1a49 h ILE 5180Cb 0.27 1.06 -0.07 0.00 -0.74 0.00 0.00 36.82 37.34 1a49 h ILE 5180CO -0.29 0.02 0.35 0.00 0.00 0.00 0.00 178.15 178.23 1a49 h ALA 5181N 0.94 0.97 -0.05 1.87 0.00 -0.93 -0.15 119.26 121.91 1a49 h ALA 5181Ca -0.00 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1a49 h ALA 5181Cb 0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1a49 h ALA 5181CO 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 179.25 179.09 1a49 h ARG 5182N 0.60 -0.17 -0.77 0.00 3.08 -1.33 0.14 114.38 115.93 1a49 h ARG 5182Ca 0.35 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.44 1a49 h ARG 5182Cb 0.36 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.40 1a49 h ARG 5182CO -0.27 -0.11 0.48 0.93 -1.07 0.00 0.00 179.97 179.93 1a49 h GLU 5183N -0.18 0.90 -0.13 0.04 4.39 -1.15 -2.83 114.58 115.63 1a49 h GLU 5183Ca 0.06 -0.05 -0.20 0.00 0.34 0.00 0.00 59.36 59.51 1a49 h GLU 5183Cb 0.26 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1a49 h GLU 5183CO -0.15 0.60 -0.73 0.00 -1.16 0.00 0.00 179.01 177.56 1a49 h ALA 5184N 1.33 0.48 -0.22 3.43 0.00 -0.11 -2.65 119.26 121.53 1a49 h ALA 5184Ca 0.31 -0.59 0.03 0.00 0.00 0.00 0.00 54.91 54.65 1a49 h ALA 5184Cb 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1a49 h ALA 5184CO -0.12 0.72 0.15 0.93 0.00 0.00 0.00 179.25 180.93 1a49 h GLU 5185N 0.41 0.18 -0.06 0.00 5.08 -0.64 0.13 114.58 119.68 1a49 h GLU 5185Ca -0.03 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 1a49 h GLU 5185Cb 1.32 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1a49 h GLU 5185CO 0.14 0.12 -0.72 0.00 -1.00 0.00 0.00 179.01 177.54 1a49 h ALA 5186N 1.88 0.65 0.00 3.43 0.00 -1.23 -3.11 119.26 120.88 1a49 h ALA 5186Ca 0.09 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1a49 h ALA 5186Cb 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1a49 h ALA 5186CO -0.02 0.78 0.00 0.00 0.00 0.00 0.00 179.25 180.02 1a49 n ALA 5187N -2.49 2.41 -0.70 0.00 0.00 -0.01 -4.55 120.51 115.17 1a49 n ALA 5187Ca -0.04 -0.15 -0.30 0.00 0.00 0.00 0.00 53.44 52.96 1a49 n ALA 5187Cb 0.70 -1.43 0.19 0.00 0.00 0.00 0.00 19.45 18.92 1a49 n ALA 5187CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1a49 s MET 5188N -2.25 0.38 -0.88 0.00 -1.94 -0.94 -4.93 119.30 108.73 1a49 s MET 5188Ca 0.33 1.24 0.01 0.00 -1.71 0.00 0.00 55.69 55.55 1a49 s MET 5188Cb 0.18 -1.68 0.28 0.00 2.01 0.00 0.00 34.83 35.63 1a49 s MET 5188CO 0.35 -2.97 1.16 0.34 -0.01 0.00 0.00 175.02 173.89 1a49 n PHE 5189N -4.43 2.89 -0.26 -0.03 -0.00 -1.26 -4.88 117.46 109.49 1a49 n PHE 5189Ca 0.08 -3.28 -0.08 0.00 -0.00 0.00 0.00 57.45 54.17 1a49 n PHE 5189Cb 0.53 -0.94 -0.04 0.00 -0.00 0.00 0.00 39.48 39.04 1a49 n PHE 5189CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1a49 h HIS 5190N 4.82 -1.37 -0.47 -5.13 3.86 -1.92 -0.13 115.15 114.81 1a49 h HIS 5190Ca 0.20 0.09 0.07 0.00 -1.16 0.00 0.00 60.37 59.58 1a49 h HIS 5190Cb 0.63 0.70 -0.10 0.00 1.06 0.00 0.00 27.41 29.70 1a49 h HIS 5190CO 0.89 -0.42 -0.44 -0.09 0.86 0.00 0.00 177.93 178.73 1a49 h ARG 5191N -0.17 -0.28 -0.11 2.45 1.12 -1.92 0.25 114.38 115.72 1a49 h ARG 5191Ca 0.19 0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 59.08 1a49 h ARG 5191Cb 0.55 0.06 -0.00 0.00 -0.01 0.00 0.00 29.97 30.57 1a49 h ARG 5191CO -0.76 -0.19 0.05 0.87 -3.11 0.00 0.00 179.97 176.83 1a49 h LYS 5192N -0.29 0.16 -0.69 0.20 1.79 -1.83 -2.73 116.57 113.18 1a49 h LYS 5192Ca 0.15 -0.02 0.09 0.00 -2.18 0.00 0.00 60.65 58.69 1a49 h LYS 5192Cb 0.58 -0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 31.13 1a49 h LYS 5192CO -0.62 0.24 0.32 1.25 -1.08 0.00 0.00 179.45 179.56 1a49 h LEU 5193N 0.04 0.41 -0.26 2.94 5.85 -0.14 -1.02 115.31 123.12 1a49 h LEU 5193Ca 0.04 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1a49 h LEU 5193Cb 0.13 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1a49 h LEU 5193CO -0.00 0.23 0.10 0.15 -0.34 0.00 0.00 178.44 178.57 1a49 h PHE 5194N 0.55 0.40 -0.39 1.25 3.57 -0.47 0.33 116.94 122.20 1a49 h PHE 5194Ca 0.34 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.81 1a49 h PHE 5194Cb 0.37 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1a49 h PHE 5194CO -0.12 0.43 0.24 0.93 -2.23 0.00 0.00 178.31 177.55 1a49 h GLU 5195N 0.26 0.52 -0.36 1.11 5.08 -1.12 -0.84 114.58 119.23 1a49 h GLU 5195Ca 0.09 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1a49 h GLU 5195Cb 0.20 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1a49 h GLU 5195CO -0.01 0.38 0.07 0.93 -1.00 0.00 0.00 179.01 179.38 1a49 h GLU 5196N 0.51 0.53 -0.39 2.33 5.08 -0.82 0.11 114.58 121.92 1a49 h GLU 5196Ca 0.14 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 1a49 h GLU 5196Cb -0.01 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1a49 h GLU 5196CO -0.03 0.51 -0.29 -0.07 -1.00 0.00 0.00 179.01 178.13 1a49 h LEU 5197N 0.52 0.88 -0.66 1.33 3.38 -0.32 -0.64 115.31 119.81 1a49 h LEU 5197Ca 0.12 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1a49 h LEU 5197Cb 0.23 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1a49 h LEU 5197CO -0.00 1.11 0.22 0.00 0.09 0.00 0.00 178.44 179.86 1a49 h ALA 5198N 0.94 0.87 0.00 1.53 0.00 -0.55 -2.52 119.26 119.53 1a49 h ALA 5198Ca 0.08 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1a49 h ALA 5198Cb 0.84 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1a49 h ALA 5198CO 0.07 0.53 -0.00 0.00 0.00 0.00 0.00 179.25 179.85 1a49 h ARG 5199N 0.95 -0.00 -0.15 0.00 3.08 -0.50 -2.23 114.38 115.52 1a49 h ARG 5199Ca 0.22 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.31 1a49 h ARG 5199Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1a49 h ARG 5199CO -0.01 0.15 0.26 0.66 -1.07 0.00 0.00 179.97 179.96 1a49 h SER 5200N -0.16 0.00 -0.08 7.04 4.64 -0.92 -0.37 113.55 123.70 1a49 h SER 5200Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a49 h SER 5200Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1a49 h SER 5200CO 0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 1a49 n SER 5201N -3.43 2.25 0.29 4.97 3.41 -0.97 -4.68 113.62 115.46 1a49 n SER 5201Ca 0.01 -2.06 0.13 0.00 -0.26 0.00 0.00 58.87 56.69 1a49 n SER 5201Cb 0.37 -0.08 0.70 0.00 -0.26 0.00 0.00 64.21 64.94 1a49 n SER 5201CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1a49 h SER 5202N 0.49 0.00 0.12 4.04 4.64 -0.44 0.53 113.55 122.93 1a49 h SER 5202Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1a49 h SER 5202Cb 0.59 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1a49 h SER 5202CO 0.00 0.00 -0.35 1.12 -0.87 0.00 0.00 176.83 176.73 1a49 h HIS 5203N 0.00 0.38 -3.91 4.77 2.07 -1.83 -3.44 115.15 113.19 1a49 h HIS 5203Ca 0.00 -0.09 -0.47 0.00 -2.85 0.00 0.00 60.37 56.96 1a49 h HIS 5203Cb 0.63 -0.09 -0.02 0.00 2.57 0.00 0.00 27.41 30.50 1a49 h HIS 5203CO 0.00 0.65 0.23 0.45 -3.07 0.00 0.00 177.93 176.19 1a49 s SER 5204N -6.86 6.84 -0.06 3.10 0.15 0.19 -4.96 113.70 112.10 1a49 s SER 5204Ca -0.05 1.49 0.13 0.00 0.70 0.00 0.00 55.95 58.22 1a49 s SER 5204Cb 0.13 -2.46 0.25 0.00 -1.71 0.00 0.00 66.02 62.24 1a49 s SER 5204CO 0.78 -0.31 1.12 0.41 1.20 0.00 0.00 173.24 176.44 1a49 n THR 5205N -0.60 0.72 -1.70 6.45 -1.04 -1.26 -5.04 114.28 111.82 1a49 n THR 5205Ca 0.05 -1.27 -0.40 0.00 -2.04 0.00 0.00 64.05 60.39 1a49 n THR 5205Cb 0.54 0.39 0.02 0.00 -1.82 0.00 0.00 70.33 69.45 1a49 n THR 5205CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1a49 n ASP 5206N -0.31 2.41 -0.21 8.00 -0.08 -1.26 -4.89 116.55 120.21 1a49 n ASP 5206Ca 0.08 1.06 -0.08 0.00 -1.51 0.00 0.00 54.79 54.34 1a49 n ASP 5206Cb 0.82 -1.50 0.03 0.00 2.34 0.00 0.00 41.12 42.81 1a49 n ASP 5206CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1a49 h LEU 5207N 1.85 0.89 -0.22 -2.67 3.38 -2.00 -1.67 115.31 114.87 1a49 h LEU 5207Ca -0.48 -0.22 -0.17 0.00 0.09 0.00 0.00 57.88 57.10 1a49 h LEU 5207Cb 1.30 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1a49 h LEU 5207CO 0.59 0.88 -0.51 -0.03 0.09 0.00 0.00 178.44 179.45 1a49 h MET 5208N 0.86 0.74 -0.69 1.13 4.05 -1.93 -2.14 114.93 116.95 1a49 h MET 5208Ca 0.19 -0.50 0.08 0.00 -0.28 0.00 0.00 59.70 59.19 1a49 h MET 5208Cb 0.32 0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 31.13 1a49 h MET 5208CO -0.00 1.12 0.36 0.93 0.23 0.00 0.00 176.91 179.54 1a49 h GLU 5209N 0.46 0.61 0.19 0.39 5.08 -1.92 0.35 114.58 119.75 1a49 h GLU 5209Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1a49 h GLU 5209Cb 1.12 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1a49 h GLU 5209CO 0.11 0.41 -0.18 0.00 -1.00 0.00 0.00 179.01 178.35 1a49 h ALA 5210N 1.39 -0.37 -0.64 3.43 0.00 -1.25 0.38 119.26 122.20 1a49 h ALA 5210Ca 0.32 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.28 1a49 h ALA 5210Cb 0.29 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1a49 h ALA 5210CO -0.23 -0.73 0.43 0.52 0.00 0.00 0.00 179.25 179.24 1a49 h MET 5211N -0.40 0.47 -0.10 0.00 2.86 -0.68 0.63 114.93 117.72 1a49 h MET 5211Ca -0.00 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.50 1a49 h MET 5211Cb 0.37 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1a49 h MET 5211CO -0.04 0.31 -0.36 0.00 1.06 0.00 0.00 176.91 177.88 1a49 h ALA 5212N 1.67 0.17 -0.54 6.32 0.00 0.14 0.32 119.26 127.34 1a49 h ALA 5212Ca 0.29 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1a49 h ALA 5212Cb 0.51 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1a49 h ALA 5212CO -0.09 0.26 -0.05 0.52 0.00 0.00 0.00 179.25 179.88 1a49 h MET 5213N -0.03 0.96 -0.26 0.00 2.86 0.68 -0.32 114.93 118.83 1a49 h MET 5213Ca -0.02 -0.32 -0.01 0.00 -2.06 0.00 0.00 59.70 57.30 1a49 h MET 5213Cb 1.00 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 1a49 h MET 5213CO 0.08 0.98 0.13 0.78 1.06 0.00 0.00 176.91 179.94 1a49 h GLY 5214N 0.98 0.40 0.77 8.32 0.00 0.31 0.26 103.07 114.11 1a49 h GLY 5214Ca 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1a49 h GLY 5214CO 0.04 0.19 -0.20 1.76 0.00 0.00 0.00 176.54 178.33 1a49 h SER 5215N 0.29 -0.52 -0.73 0.19 0.02 -0.76 0.09 113.55 112.13 1a49 h SER 5215Ca 0.09 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1a49 h SER 5215Cb 0.11 0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 1a49 h SER 5215CO -0.01 -0.29 0.29 0.58 -1.14 0.00 0.00 176.83 176.26 1a49 h VAL 5216N -0.42 1.25 -0.26 2.27 2.07 -1.01 0.37 116.25 120.51 1a49 h VAL 5216Ca 0.00 -0.79 0.01 0.00 0.82 0.00 0.00 66.70 66.74 1a49 h VAL 5216Cb 0.40 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1a49 h VAL 5216CO -0.05 0.32 0.16 -0.08 0.02 0.00 0.00 177.57 177.94 1a49 h GLU 5217N 1.05 0.32 -0.48 1.57 4.57 -0.70 -0.86 114.58 120.04 1a49 h GLU 5217Ca 0.24 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.44 1a49 h GLU 5217Cb 0.21 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.69 1a49 h GLU 5217CO -0.02 0.21 0.24 0.00 -1.18 0.00 0.00 179.01 178.27 1a49 h ALA 5218N 1.11 0.61 -0.98 2.92 0.00 -0.62 -0.28 119.26 122.02 1a49 h ALA 5218Ca 0.10 0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.18 1a49 h ALA 5218Cb -0.02 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.61 1a49 h ALA 5218CO -0.04 -0.11 0.60 0.66 0.00 0.00 0.00 179.25 180.37 1a49 h SER 5219N 0.48 0.83 -0.27 0.00 4.64 0.50 -1.13 113.55 118.59 1a49 h SER 5219Ca 0.21 0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.53 1a49 h SER 5219Cb 0.12 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1a49 h SER 5219CO -0.15 0.38 -0.12 1.88 -0.87 0.00 0.00 176.83 177.95 1a49 h TYR 5220N 0.86 0.65 0.04 4.77 0.05 -0.30 0.16 116.97 123.21 1a49 h TYR 5220Ca 0.52 -0.16 0.01 0.00 0.05 0.00 0.00 58.73 59.15 1a49 h TYR 5220Cb 0.66 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 1a49 h TYR 5220CO -0.01 0.81 -0.07 -0.22 -1.05 0.00 0.00 178.16 177.61 1a49 h LYS 5221N 0.31 -0.14 -0.40 4.88 1.63 0.18 -2.48 116.57 120.54 1a49 h LYS 5221Ca 0.06 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1a49 h LYS 5221Cb 0.63 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.29 1a49 h LYS 5221CO 0.04 -0.09 0.00 0.00 -3.45 0.00 0.00 179.45 175.95 1a49 n LEU 5223N 1.14 -2.92 -4.45 0.00 4.77 0.42 -4.91 117.00 111.04 1a49 n LEU 5223Ca 0.19 -0.59 -0.36 0.00 -0.03 0.00 0.00 56.01 55.22 1a49 n LEU 5223Cb 0.51 -2.81 0.07 0.00 -2.33 0.00 0.00 43.42 38.86 1a49 n LEU 5223CO 0.14 0.52 0.03 0.00 -1.33 0.00 0.00 177.39 176.75 1a49 n ALA 5224N -4.66 -1.66 0.53 -1.18 0.00 -0.43 -4.89 120.51 108.22 1a49 n ALA 5224Ca 0.01 -0.28 0.13 0.00 0.00 0.00 0.00 53.44 53.30 1a49 n ALA 5224Cb 0.55 -1.84 0.32 0.00 0.00 0.00 0.00 19.45 18.48 1a49 n ALA 5224CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a49 h ALA 5225N -0.48 0.93 -1.73 0.00 0.00 -0.44 -3.44 119.26 114.09 1a49 h ALA 5225Ca -0.45 0.00 0.25 0.00 0.00 0.00 0.00 54.91 54.71 1a49 h ALA 5225Cb 1.34 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 19.00 1a49 h ALA 5225CO 0.42 0.00 0.71 0.00 0.00 0.00 0.00 179.25 180.38 1a49 s ALA 5226N -3.14 -2.03 -0.11 0.00 0.00 -1.26 -4.12 121.76 111.11 1a49 s ALA 5226Ca 0.09 0.91 0.03 0.00 0.00 0.00 0.00 51.96 52.99 1a49 s ALA 5226Cb 0.11 0.27 -0.00 0.00 0.00 0.00 0.00 23.12 23.50 1a49 s ALA 5226CO 0.63 -0.86 -0.22 -0.51 0.00 0.00 0.00 175.76 174.80 1a49 s LEU 5227N -2.66 2.20 -0.22 0.00 1.02 -0.78 -1.25 118.68 116.98 1a49 s LEU 5227Ca 0.11 -0.53 -0.06 0.00 0.02 0.00 0.00 54.13 53.67 1a49 s LEU 5227Cb 0.01 -1.45 -0.03 0.00 0.02 0.00 0.00 46.19 44.74 1a49 s LEU 5227CO -0.04 0.15 0.04 -0.63 0.02 0.00 0.00 176.35 175.89 1a49 s ILE 5228N 0.42 4.25 -0.09 -0.59 1.01 0.19 -0.92 121.20 125.48 1a49 s ILE 5228Ca -0.16 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.31 1a49 s ILE 5228Cb -0.17 -2.95 0.01 0.00 0.01 0.00 0.00 42.46 39.36 1a49 s ILE 5228CO 0.07 0.39 -0.15 -0.69 0.00 0.00 0.00 174.94 174.56 1a49 s VAL 5229N 1.20 1.41 -0.27 2.92 1.01 -0.45 -0.52 120.40 125.70 1a49 s VAL 5229Ca 0.04 -0.62 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 1a49 s VAL 5229Cb -0.14 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 1a49 s VAL 5229CO 0.03 0.42 0.48 -0.76 0.00 0.00 0.00 175.10 175.26 1a49 s LEU 5230N 0.77 4.07 -0.02 3.92 1.43 -1.03 -0.85 118.68 126.97 1a49 s LEU 5230Ca -0.12 0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 53.26 1a49 s LEU 5230Cb -0.16 -2.59 0.02 0.00 0.03 0.00 0.00 46.19 43.49 1a49 s LEU 5230CO 0.02 -0.27 0.30 0.28 0.23 0.00 0.00 176.35 176.91 1a49 s THR 5231N 2.25 0.05 -0.15 5.49 -1.32 -0.38 -4.82 115.64 116.76 1a49 s THR 5231Ca 0.19 -0.45 -0.02 0.00 -1.21 0.00 0.00 61.69 60.21 1a49 s THR 5231Cb -0.16 -0.59 -0.09 0.00 -1.51 0.00 0.00 72.50 70.15 1a49 s THR 5231CO 0.10 -0.25 -0.16 -0.62 -2.21 0.00 0.00 174.62 171.48 1a49 n GLU 5232N 1.43 0.37 0.16 7.08 -0.58 -1.26 -4.00 120.64 123.83 1a49 n GLU 5232Ca -0.21 0.11 0.12 0.00 -0.42 0.00 0.00 57.16 56.75 1a49 n GLU 5232Cb 0.56 -1.23 0.07 0.00 -0.57 0.00 0.00 31.44 30.28 1a49 n GLU 5232CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1a49 h SER 5233N -0.18 0.00 0.00 1.62 4.64 -1.97 -3.42 113.55 114.23 1a49 h SER 5233Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1a49 h SER 5233Cb 1.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 1a49 h SER 5233CO -0.11 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.46 1a49 n GLY 5234N 1.15 3.25 0.36 -0.77 0.00 -1.26 -4.92 105.19 102.99 1a49 n GLY 5234Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1a49 n GLY 5234CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1a49 h ARG 5235N 1.80 -0.03 -0.68 1.61 9.65 -1.96 0.51 114.38 125.27 1a49 h ARG 5235Ca 0.00 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.83 1a49 h ARG 5235Cb 0.00 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.56 1a49 h ARG 5235CO 0.00 -0.02 0.23 0.77 2.80 0.00 0.00 179.97 183.75 1a49 h SER 5236N -0.03 0.98 -0.44 -3.80 0.02 -1.92 -0.66 113.55 107.70 1a49 h SER 5236Ca 0.36 -0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 1a49 h SER 5236Cb 0.61 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 1a49 h SER 5236CO -0.91 0.92 0.03 0.00 -1.14 0.00 0.00 176.83 175.73 1a49 h ALA 5237N 1.10 0.59 -0.83 3.77 0.00 -0.56 -2.56 119.26 120.77 1a49 h ALA 5237Ca 0.22 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 54.99 1a49 h ALA 5237Cb 0.28 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.82 1a49 h ALA 5237CO -0.01 0.36 0.46 0.45 0.00 0.00 0.00 179.25 180.51 1a49 h HIS 5238N 0.61 0.82 0.00 0.00 -0.00 0.60 0.31 115.15 117.50 1a49 h HIS 5238Ca 0.13 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.49 1a49 h HIS 5238Cb 0.45 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.61 1a49 h HIS 5238CO 0.03 0.30 -0.20 1.96 -0.00 0.00 0.00 177.93 180.02 1a49 h GLN 5239N 0.74 0.00 0.05 2.45 1.08 -1.03 -1.35 115.11 117.04 1a49 h GLN 5239Ca 0.42 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 57.34 1a49 h GLN 5239Cb 0.45 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.90 1a49 h GLN 5239CO -0.28 0.20 -1.11 0.28 -0.95 0.00 0.00 178.83 176.98 1a49 h VAL 5240N 0.00 1.31 -0.83 -0.54 2.07 -0.03 -3.23 116.25 114.99 1a49 h VAL 5240Ca -0.00 -2.39 0.06 0.00 0.82 0.00 0.00 66.70 65.19 1a49 h VAL 5240Cb 0.37 2.51 -0.06 0.00 -1.52 0.00 0.00 31.29 32.59 1a49 h VAL 5240CO 0.03 0.73 0.51 0.00 0.02 0.00 0.00 177.57 178.86 1a49 h ALA 5241N 0.43 1.14 -0.86 1.67 0.00 -0.22 -2.29 119.26 119.12 1a49 h ALA 5241Ca -0.14 -0.00 0.21 0.00 0.00 0.00 0.00 54.91 54.98 1a49 h ALA 5241Cb 1.76 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.28 1a49 h ALA 5241CO 0.21 0.24 0.59 0.07 0.00 0.00 0.00 179.25 180.36 1a49 h ARG 5242N 0.93 0.25 -0.01 0.00 0.11 -1.30 0.28 114.38 114.65 1a49 h ARG 5242Ca 0.36 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.43 1a49 h ARG 5242Cb 0.18 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.20 1a49 h ARG 5242CO -0.18 0.16 -0.04 0.66 0.10 0.00 0.00 179.97 180.68 1a49 n TYR 5243N -4.43 0.00 -3.28 4.08 4.01 -0.87 -4.98 117.16 111.70 1a49 n TYR 5243Ca 0.18 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.79 1a49 n TYR 5243Cb 0.76 -0.06 0.04 0.00 -0.31 0.00 0.00 39.34 39.77 1a49 n TYR 5243CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1a49 n ARG 5244N -0.62 -1.73 -0.93 -0.72 5.12 0.99 -4.82 116.66 113.94 1a49 n ARG 5244Ca 0.19 1.02 -0.30 0.00 -1.93 0.00 0.00 57.85 56.84 1a49 n ARG 5244Cb 0.24 -5.37 0.17 0.00 -1.16 0.00 0.00 32.46 26.33 1a49 n ARG 5244CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1a49 s PRO 5245N -4.17 0.79 0.04 5.56 0.04 -1.26 -4.93 135.00 131.07 1a49 s PRO 5245Ca 0.28 1.04 -0.14 0.00 0.04 0.00 0.00 61.00 62.22 1a49 s PRO 5245Cb -0.05 -1.74 -0.33 0.00 0.04 0.00 0.00 34.50 32.42 1a49 s PRO 5245CO 0.77 -2.63 1.05 -0.09 0.04 0.00 0.00 177.00 176.14 1a49 h ARG 5246N -1.84 0.53 -6.97 4.56 2.43 -1.94 -3.47 114.38 107.68 1a49 h ARG 5246Ca -0.50 -0.85 -0.49 0.00 -0.81 0.00 0.00 59.98 57.34 1a49 h ARG 5246Cb 1.29 0.31 0.03 0.00 -0.42 0.00 0.00 29.97 31.17 1a49 h ARG 5246CO 0.50 1.40 0.43 0.00 -1.51 0.00 0.00 179.97 180.79 1a49 s ALA 5247N -2.71 3.06 0.71 2.80 0.00 -1.26 -5.00 121.76 119.36 1a49 s ALA 5247Ca -0.08 0.77 -0.16 0.00 0.00 0.00 0.00 51.96 52.48 1a49 s ALA 5247Cb 0.05 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.89 1a49 s ALA 5247CO 0.94 -0.34 1.25 -0.35 0.00 0.00 0.00 175.76 177.26 1a49 n PRO 5248N -0.19 0.75 -3.76 0.00 -0.04 -1.26 -4.69 135.00 125.81 1a49 n PRO 5248Ca 0.06 0.32 -0.37 0.00 -0.04 0.00 0.00 63.50 63.46 1a49 n PRO 5248Cb 0.49 -2.49 -0.12 0.00 -0.04 0.00 0.00 33.50 31.34 1a49 n PRO 5248CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1a49 s ILE 5249N -1.67 3.65 -0.44 0.52 1.01 0.11 -1.87 121.20 122.51 1a49 s ILE 5249Ca 0.79 -1.32 -0.22 0.00 0.00 0.00 0.00 60.65 59.91 1a49 s ILE 5249Cb -0.35 -3.15 0.02 0.00 0.01 0.00 0.00 42.46 39.00 1a49 s ILE 5249CO 0.44 -0.27 0.72 -0.63 0.00 0.00 0.00 174.94 175.20 1a49 s ILE 5250N 1.35 4.74 -0.27 2.92 1.01 -0.09 0.12 121.20 130.98 1a49 s ILE 5250Ca -0.01 0.30 -0.07 0.00 0.00 0.00 0.00 60.65 60.88 1a49 s ILE 5250Cb -0.20 -4.26 -0.01 0.00 0.01 0.00 0.00 42.46 37.99 1a49 s ILE 5250CO 0.01 -0.64 0.07 0.00 0.00 0.00 0.00 174.94 174.38 1a49 s ALA 5251N 3.06 3.12 -0.18 9.38 0.00 0.81 -1.34 121.76 136.61 1a49 s ALA 5251Ca 0.26 -1.25 -0.15 0.00 0.00 0.00 0.00 51.96 50.83 1a49 s ALA 5251Cb -0.13 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 1a49 s ALA 5251CO 0.21 -0.64 0.35 0.08 0.00 0.00 0.00 175.76 175.75 1a49 s VAL 5252N 1.57 5.26 0.04 0.00 1.01 -0.03 0.30 120.40 128.55 1a49 s VAL 5252Ca 0.05 0.63 -0.11 0.00 0.00 0.00 0.00 61.98 62.56 1a49 s VAL 5252Cb -0.16 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.55 1a49 s VAL 5252CO 0.03 0.32 0.22 0.28 0.00 0.00 0.00 175.10 175.96 1a49 s THR 5253N 0.86 0.10 -1.42 3.92 -1.32 -0.68 -1.25 115.64 115.84 1a49 s THR 5253Ca 0.18 -0.82 0.24 0.00 -1.21 0.00 0.00 61.69 60.08 1a49 s THR 5253Cb -0.14 -0.88 -0.00 0.00 -1.51 0.00 0.00 72.50 69.97 1a49 s THR 5253CO 0.06 -0.45 1.23 0.54 -2.21 0.00 0.00 174.62 173.79 1a49 n ARG 5254N 0.73 0.49 -3.00 7.08 1.74 -1.26 -0.29 116.66 122.15 1a49 n ARG 5254Ca -0.19 -0.35 -0.43 0.00 -0.77 0.00 0.00 57.85 56.10 1a49 n ARG 5254Cb 0.59 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.48 1a49 n ARG 5254CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1a49 s ASN 5255N -2.76 6.33 0.32 0.55 3.84 -1.26 -4.85 114.94 117.11 1a49 s ASN 5255Ca 0.15 -0.43 0.01 0.00 0.21 0.00 0.00 52.86 52.81 1a49 s ASN 5255Cb 0.18 -2.37 0.54 0.00 -0.55 0.00 0.00 41.25 39.05 1a49 s ASN 5255CO 0.67 -0.99 1.93 0.45 -2.79 0.00 0.00 177.10 176.38 1a49 h HIS 5256N 9.07 0.80 -0.50 0.43 3.86 -1.94 -2.18 115.15 124.69 1a49 h HIS 5256Ca -0.26 -0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 58.82 1a49 h HIS 5256Cb 1.09 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 29.29 1a49 h HIS 5256CO 0.81 0.58 -0.12 0.37 0.86 0.00 0.00 177.93 180.43 1a49 h GLN 5257N 0.81 0.97 -0.90 2.45 4.15 -1.97 -2.05 115.11 118.58 1a49 h GLN 5257Ca 0.20 -0.37 0.02 0.00 0.77 0.00 0.00 58.65 59.27 1a49 h GLN 5257Cb 0.08 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.66 1a49 h GLN 5257CO -0.03 1.04 0.59 1.15 -1.93 0.00 0.00 178.83 179.66 1a49 h THR 5258N 0.83 1.19 -0.08 2.39 2.02 -1.76 -0.38 112.91 117.11 1a49 h THR 5258Ca 0.13 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 1a49 h THR 5258Cb 0.69 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1a49 h THR 5258CO 0.05 0.21 0.04 0.00 0.37 0.00 0.00 175.52 176.20 1a49 h ALA 5259N 1.46 0.11 -0.60 6.16 0.00 -1.08 -1.49 119.26 123.82 1a49 h ALA 5259Ca 0.34 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 1a49 h ALA 5259Cb -0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1a49 h ALA 5259CO -0.09 -0.35 0.04 0.00 0.00 0.00 0.00 179.25 178.85 1a49 h ARG 5260N 0.03 1.02 0.00 0.00 3.08 -1.04 -2.98 114.38 114.49 1a49 h ARG 5260Ca 0.03 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1a49 h ARG 5260Cb 0.09 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1a49 h ARG 5260CO -0.00 0.97 0.00 1.96 -1.07 0.00 0.00 179.97 181.83 1a49 h GLN 5261N 0.95 0.00 -0.17 0.04 4.20 -0.91 -3.16 115.11 116.06 1a49 h GLN 5261Ca 0.18 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 1a49 h GLN 5261Cb 0.49 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1a49 h GLN 5261CO 0.02 0.00 0.09 0.00 -0.67 0.00 0.00 178.83 178.27 1a49 h ALA 5262N 2.08 1.83 0.00 3.87 0.00 -1.11 -0.01 119.26 125.93 1a49 h ALA 5262Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1a49 h ALA 5262Cb 0.50 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1a49 h ALA 5262CO 0.00 0.14 0.09 0.45 0.00 0.00 0.00 179.25 179.94 1a49 h HIS 5263N 0.23 0.00 -0.01 0.00 3.86 -1.70 0.24 115.15 117.78 1a49 h HIS 5263Ca 0.06 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.24 1a49 h HIS 5263Cb 0.02 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 1a49 h HIS 5263CO 0.00 0.00 -0.16 1.25 0.86 0.00 0.00 177.93 179.88 1a49 h LEU 5264N 0.00 0.01 -9.68 2.43 5.85 -1.23 -3.39 115.31 109.30 1a49 h LEU 5264Ca 0.00 -0.00 -0.65 0.00 0.84 0.00 0.00 57.88 58.07 1a49 h LEU 5264Cb 0.19 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 1a49 h LEU 5264CO 0.00 0.18 -0.41 -0.31 -0.34 0.00 0.00 178.44 177.56 1a49 s TYR 5265N -4.69 3.62 0.05 1.25 1.51 0.07 -4.48 117.35 114.69 1a49 s TYR 5265Ca -0.04 0.63 -0.34 0.00 -1.01 0.00 0.00 57.07 56.31 1a49 s TYR 5265Cb 0.16 -2.02 -0.13 0.00 -0.11 0.00 0.00 41.96 39.87 1a49 s TYR 5265CO 0.70 0.69 1.73 -2.13 -1.11 0.00 0.00 175.55 175.43 1a49 n ARG 5266N 1.76 2.23 -1.65 -0.62 3.00 -1.26 -3.33 116.66 116.78 1a49 n ARG 5266Ca -0.17 0.81 -0.13 0.00 -0.00 0.00 0.00 57.85 58.36 1a49 n ARG 5266Cb 0.54 -2.63 -0.04 0.00 0.00 0.00 0.00 32.46 30.33 1a49 n ARG 5266CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1a49 n GLY 5267N 3.91 0.93 3.55 5.14 0.00 0.28 -4.76 105.19 114.24 1a49 n GLY 5267Ca 0.19 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 1a49 n GLY 5267CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a49 s ILE 5268N -2.54 5.06 -0.46 -0.61 1.01 -1.21 0.05 121.20 122.50 1a49 s ILE 5268Ca 0.00 0.03 -0.08 0.00 0.00 0.00 0.00 60.65 60.60 1a49 s ILE 5268Cb 0.00 -3.43 0.12 0.00 0.01 0.00 0.00 42.46 39.16 1a49 s ILE 5268CO 0.00 0.23 0.32 -0.36 0.00 0.00 0.00 174.94 175.13 1a49 s PHE 5269N 1.72 3.45 0.13 3.97 0.40 0.32 -4.62 117.98 123.35 1a49 s PHE 5269Ca 0.07 -1.94 -0.30 0.00 -0.60 0.00 0.00 56.93 54.16 1a49 s PHE 5269Cb -0.16 -3.43 -0.07 0.00 0.51 0.00 0.00 43.02 39.87 1a49 s PHE 5269CO 0.09 -0.98 1.20 -1.25 0.70 0.00 0.00 175.22 174.97 1a49 s PRO 5270N 1.33 4.47 -0.20 0.24 0.04 -1.26 -0.13 135.00 139.49 1a49 s PRO 5270Ca 0.06 1.83 -0.00 0.00 0.04 0.00 0.00 61.00 62.93 1a49 s PRO 5270Cb -0.26 -3.28 0.05 0.00 0.04 0.00 0.00 34.50 31.05 1a49 s PRO 5270CO -0.01 -0.15 -0.04 0.08 0.04 0.00 0.00 177.00 176.92 1a49 s VAL 5271N 0.40 1.25 -0.09 -0.36 1.01 0.15 -4.63 120.40 118.12 1a49 s VAL 5271Ca 0.55 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 1a49 s VAL 5271Cb -0.31 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 1a49 s VAL 5271CO 0.33 -0.03 1.06 -0.69 0.00 0.00 0.00 175.10 175.78 1a49 s VAL 5272N 1.54 4.64 -0.39 2.92 1.01 -1.26 -1.69 120.40 127.17 1a49 s VAL 5272Ca -0.03 1.92 -0.21 0.00 0.00 0.00 0.00 61.98 63.66 1a49 s VAL 5272Cb -0.17 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 31.99 1a49 s VAL 5272CO -0.07 0.01 0.67 0.00 0.00 0.00 0.00 175.10 175.71 1a49 n LYS 5274N 6.24 0.42 -0.95 0.00 5.02 -1.26 -4.46 118.16 123.17 1a49 n LYS 5274Ca -0.00 -0.29 -0.30 0.00 -2.02 0.00 0.00 58.31 55.70 1a49 n LYS 5274Cb 0.48 -1.49 0.15 0.00 -0.02 0.00 0.00 35.03 34.15 1a49 n LYS 5274CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a49 s ASP 5275N -2.78 3.20 0.18 4.39 1.01 -1.26 -5.00 116.67 116.41 1a49 s ASP 5275Ca 0.15 1.83 -0.09 0.00 0.71 0.00 0.00 52.55 55.15 1a49 s ASP 5275Cb 0.18 -2.42 -0.07 0.00 1.01 0.00 0.00 42.92 41.62 1a49 s ASP 5275CO 0.66 -2.86 0.49 -2.16 0.21 0.00 0.00 175.17 171.51 1a49 s PRO 5276N -4.76 3.77 -0.16 8.23 0.04 -1.26 -4.98 135.00 135.88 1a49 s PRO 5276Ca 0.65 0.19 -0.35 0.00 0.04 0.00 0.00 61.00 61.53 1a49 s PRO 5276Cb -0.20 -2.77 -0.12 0.00 0.04 0.00 0.00 34.50 31.45 1a49 s PRO 5276CO 0.58 0.40 1.91 0.28 0.04 0.00 0.00 177.00 180.22 1a49 n VAL 5277N 0.15 0.49 -2.44 -0.36 0.31 -1.26 -4.94 118.33 110.28 1a49 n VAL 5277Ca -0.02 -0.13 -0.40 0.00 -0.01 0.00 0.00 64.34 63.78 1a49 n VAL 5277Cb 0.52 -1.79 -0.04 0.00 -0.91 0.00 0.00 33.84 31.63 1a49 n VAL 5277CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1a49 s GLN 5278N 4.36 4.58 0.35 5.55 -1.52 -1.26 -4.93 119.66 126.79 1a49 s GLN 5278Ca 0.96 1.83 0.07 0.00 -1.95 0.00 0.00 55.36 56.27 1a49 s GLN 5278Cb -0.75 -3.13 0.76 0.00 -0.22 0.00 0.00 33.01 29.66 1a49 s GLN 5278CO 0.53 0.15 1.90 1.05 -0.25 0.00 0.00 175.29 178.67 1a49 h GLU 5279N 3.68 0.73 -4.96 2.91 4.11 -2.00 -3.38 114.58 115.67 1a49 h GLU 5279Ca -0.47 -0.04 -0.66 0.00 0.07 0.00 0.00 59.36 58.26 1a49 h GLU 5279Cb 1.21 -0.17 -0.17 0.00 0.50 0.00 0.00 28.75 30.13 1a49 h GLU 5279CO 0.66 0.49 -0.30 0.00 0.07 0.00 0.00 179.01 179.93 1a49 s ALA 5280N -5.70 3.50 0.21 1.06 0.00 -1.26 -4.95 121.76 114.61 1a49 s ALA 5280Ca -0.10 -1.17 -0.14 0.00 0.00 0.00 0.00 51.96 50.55 1a49 s ALA 5280Cb 0.21 -2.80 0.23 0.00 0.00 0.00 0.00 23.12 20.76 1a49 s ALA 5280CO 0.78 -1.01 1.62 2.35 0.00 0.00 0.00 175.76 179.50 1a49 h TRP 5281N 8.44 -0.41 -0.75 0.00 2.91 -2.00 0.60 115.95 124.74 1a49 h TRP 5281Ca -0.30 0.06 0.16 0.00 1.13 0.00 0.00 58.89 59.94 1a49 h TRP 5281Cb 1.15 0.28 -0.11 0.00 -0.51 0.00 0.00 29.16 29.97 1a49 h TRP 5281CO 0.70 -0.29 0.24 0.00 -1.03 0.00 0.00 178.44 178.06 1a49 h ALA 5282N 1.57 1.03 0.02 2.65 0.00 -1.94 0.25 119.26 122.84 1a49 h ALA 5282Ca 0.30 0.15 -0.20 0.00 0.00 0.00 0.00 54.91 55.16 1a49 h ALA 5282Cb 0.48 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1a49 h ALA 5282CO -0.67 -0.29 -0.95 0.93 0.00 0.00 0.00 179.25 178.27 1a49 h GLU 5283N 0.34 0.07 0.39 0.00 5.08 -0.38 0.13 114.58 120.21 1a49 h GLU 5283Ca 0.43 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.68 1a49 h GLU 5283Cb 0.71 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1a49 h GLU 5283CO -0.47 0.96 -0.25 0.22 -1.00 0.00 0.00 179.01 178.47 1a49 h ASP 5284N 0.03 -0.63 0.10 1.42 1.82 0.11 1.11 116.42 120.39 1a49 h ASP 5284Ca -0.03 0.04 0.02 0.00 -0.39 0.00 0.00 57.03 56.67 1a49 h ASP 5284Cb 1.65 0.19 -0.03 0.00 0.68 0.00 0.00 39.33 41.81 1a49 h ASP 5284CO 0.13 -0.39 -0.25 0.58 -1.61 0.00 0.00 179.24 177.70 1a49 h VAL 5285N -0.62 0.44 -0.77 2.25 2.07 -1.05 -0.50 116.25 118.08 1a49 h VAL 5285Ca -0.04 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.64 1a49 h VAL 5285Cb 0.51 0.44 -0.11 0.00 -1.52 0.00 0.00 31.29 30.62 1a49 h VAL 5285CO 0.03 0.00 0.26 0.44 0.02 0.00 0.00 177.57 178.32 1a49 h ASP 5286N -0.45 0.17 -0.21 0.57 5.19 -0.41 0.27 116.42 121.55 1a49 h ASP 5286Ca 0.03 0.13 0.05 0.00 -0.62 0.00 0.00 57.03 56.63 1a49 h ASP 5286Cb 0.48 0.14 -0.05 0.00 0.18 0.00 0.00 39.33 40.08 1a49 h ASP 5286CO -0.15 0.02 -0.10 0.25 -3.12 0.00 0.00 179.24 176.14 1a49 h LEU 5287N 0.36 -0.35 -0.48 1.55 6.46 0.26 -0.90 115.31 122.20 1a49 h LEU 5287Ca 0.44 0.09 -0.12 0.00 -0.12 0.00 0.00 57.88 58.17 1a49 h LEU 5287Cb 0.74 0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.85 1a49 h LEU 5287CO -0.47 -0.14 -0.16 0.03 -0.62 0.00 0.00 178.44 177.08 1a49 h ARG 5288N -0.08 0.96 -0.86 1.25 3.08 0.47 -1.68 114.38 117.52 1a49 h ARG 5288Ca 0.12 -0.39 0.02 0.00 0.07 0.00 0.00 59.98 59.80 1a49 h ARG 5288Cb 0.25 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 1a49 h ARG 5288CO -0.27 1.05 0.57 0.28 -1.07 0.00 0.00 179.97 180.54 1a49 h VAL 5289N 0.81 1.19 -0.48 2.04 2.07 -0.26 -2.28 116.25 119.36 1a49 h VAL 5289Ca 0.12 -0.39 -0.13 0.00 0.82 0.00 0.00 66.70 67.11 1a49 h VAL 5289Cb 0.72 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1a49 h VAL 5289CO 0.06 0.21 -0.23 0.78 0.02 0.00 0.00 177.57 178.40 1a49 h ASN 5290N 1.13 1.02 -0.77 0.57 2.35 -0.79 -2.05 115.58 117.05 1a49 h ASN 5290Ca 0.32 -0.39 0.17 0.00 -0.55 0.00 0.00 56.30 55.85 1a49 h ASN 5290Cb -0.08 -0.28 -0.11 0.00 0.05 0.00 0.00 38.32 37.90 1a49 h ASN 5290CO -0.08 1.19 0.25 0.25 -1.65 0.00 0.00 177.43 177.39 1a49 h LEU 5291N 0.85 0.14 -0.92 1.61 5.85 -1.02 0.36 115.31 122.19 1a49 h LEU 5291Ca 0.11 0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.85 1a49 h LEU 5291Cb 0.81 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1a49 h LEU 5291CO 0.07 0.01 -0.49 0.00 -0.34 0.00 0.00 178.44 177.69 1a49 h ALA 5292N 1.61 1.09 -0.41 1.25 0.00 -0.83 -2.14 119.26 119.83 1a49 h ALA 5292Ca 0.44 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1a49 h ALA 5292Cb 0.75 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1a49 h ALA 5292CO -0.48 0.63 -0.18 0.52 0.00 0.00 0.00 179.25 179.74 1a49 h MET 5293N 0.10 0.85 -0.39 0.00 2.86 0.23 -1.11 114.93 117.47 1a49 h MET 5293Ca 0.00 -0.36 -0.03 0.00 -2.06 0.00 0.00 59.70 57.25 1a49 h MET 5293Cb 0.90 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 1a49 h MET 5293CO 0.07 1.00 0.14 -0.91 1.06 0.00 0.00 176.91 178.26 1a49 h ASN 5294N 0.66 0.56 0.41 1.22 -0.26 -0.56 -0.84 115.58 116.77 1a49 h ASN 5294Ca 0.09 -0.19 -0.01 0.00 -0.56 0.00 0.00 56.30 55.64 1a49 h ASN 5294Cb 0.73 -0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 37.82 1a49 h ASN 5294CO 0.06 0.60 -0.46 0.58 -1.06 0.00 0.00 177.43 177.14 1a49 h VAL 5295N 0.49 0.09 -0.93 2.81 2.07 -1.31 0.96 116.25 120.43 1a49 h VAL 5295Ca 0.13 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.74 1a49 h VAL 5295Cb 0.23 0.09 -0.07 0.00 -1.52 0.00 0.00 31.29 30.02 1a49 h VAL 5295CO -0.01 0.00 0.60 1.23 0.02 0.00 0.00 177.57 179.41 1a49 h GLY 5296N -0.90 1.39 0.79 2.17 0.00 -1.09 1.51 103.07 106.94 1a49 h GLY 5296Ca -0.04 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 1a49 h GLY 5296CO -0.09 0.23 -0.24 0.50 0.00 0.00 0.00 176.54 176.94 1a49 h LYS 5297N 0.97 -0.65 -0.39 4.80 1.57 -0.68 1.12 116.57 123.31 1a49 h LYS 5297Ca 0.43 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 1a49 h LYS 5297Cb 0.35 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1a49 h LYS 5297CO -0.18 -0.36 0.26 0.00 -0.57 0.00 0.00 179.45 178.60 1a49 h ALA 5298N -0.53 0.50 0.00 3.86 0.00 0.20 0.24 119.26 123.53 1a49 h ALA 5298Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1a49 h ALA 5298Cb 0.60 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1a49 h ALA 5298CO 0.11 -0.05 0.00 0.54 0.00 0.00 0.00 179.25 179.85 1a49 n ARG 5299N -4.82 0.03 -1.18 0.00 5.12 0.51 -4.87 116.66 111.45 1a49 n ARG 5299Ca 0.00 0.38 0.00 0.00 -1.93 0.00 0.00 57.85 56.30 1a49 n ARG 5299Cb 0.03 -1.56 0.00 0.00 -1.16 0.00 0.00 32.46 29.76 1a49 n ARG 5299CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1a49 n GLY 5300N -0.62 0.47 0.15 -0.13 0.00 0.07 -4.97 105.19 100.16 1a49 n GLY 5300Ca 0.02 -0.94 0.05 0.00 0.00 0.00 0.00 46.02 45.15 1a49 n GLY 5300CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1a49 h PHE 5301N 0.00 0.00 -1.88 1.61 0.04 0.10 -3.46 116.94 113.35 1a49 h PHE 5301Ca 0.00 0.00 0.18 0.00 2.80 0.00 0.00 57.97 60.95 1a49 h PHE 5301Cb 0.28 0.00 -0.17 0.00 2.20 0.00 0.00 35.95 38.26 1a49 h PHE 5301CO 0.00 0.37 0.65 -0.59 -0.60 0.00 0.00 178.31 178.14 1a49 s PHE 5302N -3.04 -0.24 0.25 -0.55 -0.12 -1.17 -4.88 117.98 108.24 1a49 s PHE 5302Ca 0.03 0.15 0.11 0.00 -0.05 0.00 0.00 56.93 57.18 1a49 s PHE 5302Cb 0.07 0.53 -0.05 0.00 -0.63 0.00 0.00 43.02 42.94 1a49 s PHE 5302CO 0.74 -0.38 -0.20 -1.59 -0.05 0.00 0.00 175.22 173.74 1a49 s LYS 5303N -2.76 1.59 0.13 1.99 -2.85 -1.26 -3.87 119.74 112.70 1a49 s LYS 5303Ca 0.07 -1.68 -0.35 0.00 -1.00 0.00 0.00 55.97 53.01 1a49 s LYS 5303Cb -0.01 -1.70 -0.16 0.00 -2.06 0.00 0.00 37.83 33.90 1a49 s LYS 5303CO -0.07 0.33 1.32 1.17 0.10 0.00 0.00 175.35 178.20 1a49 n LYS 5304N -0.36 1.32 0.00 1.78 4.81 -1.26 -1.22 118.16 123.23 1a49 n LYS 5304Ca -0.07 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 1a49 n LYS 5304Cb 0.59 -2.09 0.00 0.00 0.02 0.00 0.00 35.03 33.55 1a49 n LYS 5304CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1a49 n GLY 5305N 2.44 2.31 3.63 3.14 0.00 -0.34 -4.93 105.19 111.44 1a49 n GLY 5305Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1a49 n GLY 5305CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a49 s ASP 5306N -0.00 2.34 -0.06 1.61 1.01 -0.36 -4.69 116.67 116.52 1a49 s ASP 5306Ca 0.00 1.37 0.01 0.00 0.71 0.00 0.00 52.55 54.64 1a49 s ASP 5306Cb 0.00 -2.06 -0.03 0.00 1.01 0.00 0.00 42.92 41.84 1a49 s ASP 5306CO 0.00 -3.33 -0.06 -0.69 0.21 0.00 0.00 175.17 171.30 1a49 s VAL 5307N -2.81 3.81 0.01 -1.27 1.01 -1.26 -1.21 120.40 118.67 1a49 s VAL 5307Ca 0.66 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.19 1a49 s VAL 5307Cb -0.20 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 1a49 s VAL 5307CO 0.59 0.58 -0.07 0.54 0.00 0.00 0.00 175.10 176.74 1a49 s VAL 5308N -0.85 0.50 -0.06 2.92 0.11 0.17 0.37 120.40 123.57 1a49 s VAL 5308Ca 0.13 -0.49 -0.15 0.00 -2.93 0.00 0.00 61.98 58.54 1a49 s VAL 5308Cb -0.11 -0.46 -0.05 0.00 -1.53 0.00 0.00 36.38 34.22 1a49 s VAL 5308CO 0.02 -0.01 0.39 -0.63 -3.33 0.00 0.00 175.10 171.54 1a49 s ILE 5309N -0.49 5.13 -0.12 7.04 -1.09 -0.38 0.91 121.20 132.21 1a49 s ILE 5309Ca -0.01 0.79 -0.01 0.00 -2.23 0.00 0.00 60.65 59.18 1a49 s ILE 5309Cb -0.04 -3.71 0.04 0.00 -1.58 0.00 0.00 42.46 37.17 1a49 s ILE 5309CO 0.00 0.49 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.50 1a49 s VAL 5310N -0.45 0.63 -0.24 2.92 1.01 0.45 0.57 120.40 125.29 1a49 s VAL 5310Ca 0.23 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.94 1a49 s VAL 5310Cb -0.15 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 1a49 s VAL 5310CO 0.11 0.16 0.03 -0.76 0.00 0.00 0.00 175.10 174.64 1a49 s LEU 5311N 1.85 3.28 0.32 3.92 1.43 0.32 -0.78 118.68 129.03 1a49 s LEU 5311Ca 0.03 -0.25 0.04 0.00 -1.03 0.00 0.00 54.13 52.92 1a49 s LEU 5311Cb -0.14 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 1a49 s LEU 5311CO -0.07 -0.02 0.30 0.42 0.23 0.00 0.00 176.35 177.22 1a49 s THR 5312N 1.51 0.00 -0.12 5.49 -4.23 0.22 -2.46 115.64 116.04 1a49 s THR 5312Ca 0.06 -1.92 -0.15 0.00 -1.18 0.00 0.00 61.69 58.50 1a49 s THR 5312Cb -0.15 -2.53 -0.05 0.00 1.34 0.00 0.00 72.50 71.12 1a49 s THR 5312CO 0.02 0.00 0.35 -0.83 -0.54 0.00 0.00 174.62 173.62 1a49 s GLY 5313N -3.32 2.30 0.35 3.99 0.00 -1.26 -0.83 107.32 108.54 1a49 s GLY 5313Ca 0.39 -0.35 0.09 0.00 0.00 0.00 0.00 44.72 44.84 1a49 s GLY 5313CO 0.25 0.44 1.83 -0.25 0.00 0.00 0.00 173.10 175.37 1a49 h TRP 5314N 6.30 0.24 -4.34 1.90 2.91 -1.87 -3.45 115.95 117.65 1a49 h TRP 5314Ca -0.43 -0.04 -0.16 0.00 1.13 0.00 0.00 58.89 59.38 1a49 h TRP 5314Cb 1.18 -0.06 -0.15 0.00 -0.51 0.00 0.00 29.16 29.62 1a49 h TRP 5314CO 0.63 0.46 -0.64 1.03 -1.03 0.00 0.00 178.44 178.89 1a49 s ARG 5315N -4.48 0.84 0.05 2.65 0.52 -1.26 -5.05 118.95 112.23 1a49 s ARG 5315Ca -0.05 -1.36 -0.34 0.00 -0.52 0.00 0.00 55.73 53.47 1a49 s ARG 5315Cb 0.15 0.24 -0.13 0.00 0.52 0.00 0.00 34.95 35.73 1a49 s ARG 5315CO 0.75 -0.22 1.73 -2.30 0.02 0.00 0.00 175.30 175.27 1a49 n PRO 5316N -0.04 2.22 -3.14 3.54 -0.02 -1.26 -2.05 135.00 134.25 1a49 n PRO 5316Ca -0.08 0.81 -0.08 0.00 -2.02 0.00 0.00 63.50 62.12 1a49 n PRO 5316Cb 0.63 -2.62 0.01 0.00 -0.02 0.00 0.00 33.50 31.49 1a49 n PRO 5316CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a49 n GLY 5317N 3.90 -1.17 0.09 -1.23 0.00 -1.26 -4.88 105.19 100.64 1a49 n GLY 5317Ca 0.19 0.76 0.11 0.00 0.00 0.00 0.00 46.02 47.08 1a49 n GLY 5317CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a49 n SER 5318N -1.38 1.07 0.00 1.61 7.64 -0.87 -4.96 113.62 116.73 1a49 n SER 5318Ca -0.02 -0.94 0.00 0.00 1.01 0.00 0.00 58.87 58.92 1a49 n SER 5318Cb 0.53 0.74 0.00 0.00 -1.01 0.00 0.00 64.21 64.47 1a49 n SER 5318CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a49 n GLY 5319N 1.48 3.16 3.55 0.23 0.00 -1.26 -4.93 105.19 107.41 1a49 n GLY 5319Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 1a49 n GLY 5319CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1a49 s PHE 5320N -1.91 -0.32 -1.14 1.61 -0.71 -1.26 -5.00 117.98 109.25 1a49 s PHE 5320Ca 0.00 0.14 -0.22 0.00 -1.04 0.00 0.00 56.93 55.81 1a49 s PHE 5320Cb 0.00 0.56 -0.02 0.00 -1.21 0.00 0.00 43.02 42.36 1a49 s PHE 5320CO 0.00 -0.64 1.81 0.99 -1.34 0.00 0.00 175.22 176.04 1a49 s THR 5321N -3.23 3.74 -1.26 -4.49 2.01 -1.26 -4.51 115.64 106.64 1a49 s THR 5321Ca 0.06 -1.08 0.13 0.00 0.31 0.00 0.00 61.69 61.10 1a49 s THR 5321Cb -0.01 -4.72 0.51 0.00 0.01 0.00 0.00 72.50 68.29 1a49 s THR 5321CO -0.07 -1.41 1.37 -0.46 -0.69 0.00 0.00 174.62 173.36 1a49 n ASN 5322N 11.84 3.47 -3.85 3.53 0.23 -0.82 -4.68 115.26 124.98 1a49 n ASN 5322Ca 0.43 -2.31 -0.24 0.00 -0.53 0.00 0.00 54.58 51.94 1a49 n ASN 5322Cb 0.47 -0.48 -0.17 0.00 -2.08 0.00 0.00 39.78 37.52 1a49 n ASN 5322CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1a49 s THR 5323N -1.75 0.65 0.01 5.53 2.01 -0.01 -4.81 115.64 117.25 1a49 s THR 5323Ca 0.36 -0.08 0.08 0.00 0.31 0.00 0.00 61.69 62.36 1a49 s THR 5323Cb 0.23 -0.72 -0.02 0.00 0.01 0.00 0.00 72.50 71.99 1a49 s THR 5323CO 0.17 0.29 -0.26 -0.32 -0.69 0.00 0.00 174.62 173.82 1a49 s MET 5324N 1.62 1.94 -0.08 4.92 1.75 -1.26 -0.61 119.30 127.58 1a49 s MET 5324Ca 0.01 -0.98 -0.15 0.00 -1.25 0.00 0.00 55.69 53.32 1a49 s MET 5324Cb -0.13 -1.96 0.03 0.00 2.84 0.00 0.00 34.83 35.61 1a49 s MET 5324CO -0.05 0.53 0.37 1.03 -0.65 0.00 0.00 175.02 176.25 1a49 s ARG 5325N -0.85 0.59 -0.24 4.11 0.52 0.04 -4.96 118.95 118.16 1a49 s ARG 5325Ca 0.10 0.18 -0.15 0.00 -0.52 0.00 0.00 55.73 55.35 1a49 s ARG 5325Cb -0.10 0.27 -0.04 0.00 0.52 0.00 0.00 34.95 35.60 1a49 s ARG 5325CO 0.00 -0.13 0.36 0.54 0.02 0.00 0.00 175.30 176.09 1a49 s VAL 5326N -0.58 5.20 0.01 3.52 0.11 -1.26 -0.41 120.40 126.99 1a49 s VAL 5326Ca -0.07 0.59 0.02 0.00 -2.93 0.00 0.00 61.98 59.59 1a49 s VAL 5326Cb -0.04 -3.69 -0.01 0.00 -1.53 0.00 0.00 36.38 31.11 1a49 s VAL 5326CO 0.03 0.22 -0.05 -0.69 -3.33 0.00 0.00 175.10 171.27 1a49 s VAL 5327N 1.63 0.39 0.02 2.04 1.01 0.26 -4.95 120.40 120.80 1a49 s VAL 5327Ca 0.16 -0.51 -0.26 0.00 0.00 0.00 0.00 61.98 61.36 1a49 s VAL 5327Cb -0.15 -0.39 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 1a49 s VAL 5327CO 0.08 -0.09 0.83 -2.16 0.00 0.00 0.00 175.10 173.76 1a49 s PRO 5328N -0.65 4.53 0.14 2.72 0.04 -1.26 0.46 135.00 140.98 1a49 s PRO 5328Ca -0.03 1.16 -0.31 0.00 0.04 0.00 0.00 61.00 61.86 1a49 s PRO 5328Cb -0.05 -3.40 -0.09 0.00 0.04 0.00 0.00 34.50 31.00 1a49 s PRO 5328CO -0.00 0.16 1.55 0.08 0.04 0.00 0.00 177.00 178.83 1a49 s VAL 5329N 0.35 2.82 -2.01 -0.36 1.01 -0.35 -4.87 120.40 116.99 1a49 s VAL 5329Ca 0.42 0.55 0.32 0.00 0.00 0.00 0.00 61.98 63.27 1a49 s VAL 5329Cb -0.20 -3.35 0.90 0.00 0.00 0.00 0.00 36.38 33.73 1a49 s VAL 5329CO 0.24 0.03 2.22 -2.65 0.00 0.00 0.00 175.10 174.95