#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrr s ILE 1306N 0.00 3.39 0.07 3.84 2.07 -1.26 -4.94 121.20 124.37 3hrr s ILE 1306Ca 0.00 0.94 -0.31 0.00 -1.41 0.00 0.00 60.65 59.88 3hrr s ILE 1306Cb 0.00 -3.61 -0.07 0.00 0.13 0.00 0.00 42.46 38.91 3hrr s ILE 1306CO 0.00 0.05 1.49 -0.75 -1.91 0.00 0.00 174.94 173.81 3hrr s LYS 1307N 1.55 4.26 0.49 3.50 2.20 -1.26 -5.02 119.74 125.46 3hrr s LYS 1307Ca 0.65 2.14 -0.19 0.00 -0.36 0.00 0.00 55.97 58.22 3hrr s LYS 1307Cb -0.36 -3.44 -0.09 0.00 -1.51 0.00 0.00 37.83 32.44 3hrr s LYS 1307CO 0.29 -0.58 0.99 0.95 -0.36 0.00 0.00 175.35 176.64 3hrr s THR 1308N 1.96 4.27 0.19 3.43 -4.23 -1.26 -4.97 115.64 115.03 3hrr s THR 1308Ca 0.68 1.27 0.01 0.00 -1.18 0.00 0.00 61.69 62.47 3hrr s THR 1308Cb -0.37 -3.59 -0.00 0.00 1.34 0.00 0.00 72.50 69.88 3hrr s THR 1308CO 0.30 -0.45 0.22 0.35 -0.54 0.00 0.00 174.62 174.50 3hrr n THR 1309N -1.16 0.00 -0.06 3.99 -2.24 0.68 -4.98 114.28 110.52 3hrr n THR 1309Ca 0.07 -1.13 0.04 0.00 -2.27 0.00 0.00 64.05 60.77 3hrr n THR 1309Cb 0.54 0.63 0.38 0.00 -2.10 0.00 0.00 70.33 69.78 3hrr n THR 1309CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3hrr h THR 1310N 1.57 1.11 -0.30 4.28 2.02 -1.75 -3.05 112.91 116.79 3hrr h THR 1310Ca -0.14 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.81 3hrr h THR 1310Cb 0.65 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 3hrr h THR 1310CO 0.20 0.12 0.00 0.35 0.37 0.00 0.00 175.52 176.56 3hrr n THR 1311N -4.46 0.58 -3.60 3.16 -2.24 -1.26 -4.68 114.28 101.79 3hrr n THR 1311Ca 0.05 -0.79 -0.22 0.00 -2.27 0.00 0.00 64.05 60.82 3hrr n THR 1311Cb 0.07 0.85 -0.16 0.00 -2.10 0.00 0.00 70.33 68.99 3hrr n THR 1311CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3hrr s LEU 1312N -1.14 0.15 -0.22 3.22 0.20 -1.15 -4.76 118.68 114.99 3hrr s LEU 1312Ca 0.27 -0.29 0.09 0.00 0.69 0.00 0.00 54.13 54.89 3hrr s LEU 1312Cb 0.16 -0.01 -0.19 0.00 -0.43 0.00 0.00 46.19 45.71 3hrr s LEU 1312CO 0.22 -0.31 -0.08 1.41 -0.29 0.00 0.00 176.35 177.29 3hrr n HIS 1313N 5.30 0.00 -3.47 5.38 8.25 -0.01 -0.23 115.22 130.44 3hrr n HIS 1313Ca -0.06 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.26 3hrr n HIS 1313Cb 0.49 -0.93 -0.04 0.00 1.12 0.00 0.00 29.99 30.64 3hrr n HIS 1313CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3hrr s ARG 1314N -2.47 1.12 -0.12 -0.41 1.70 -1.00 -4.88 118.95 112.89 3hrr s ARG 1314Ca -0.22 -0.14 -0.23 0.00 -0.47 0.00 0.00 55.73 54.68 3hrr s ARG 1314Cb 0.07 0.52 -0.03 0.00 -0.57 0.00 0.00 34.95 34.94 3hrr s ARG 1314CO 0.66 -0.43 0.69 0.08 -1.08 0.00 0.00 175.30 175.22 3hrr s VAL 1315N -2.55 5.02 -0.14 4.99 1.01 -1.26 -0.40 120.40 127.08 3hrr s VAL 1315Ca -0.04 1.38 -0.04 0.00 0.00 0.00 0.00 61.98 63.28 3hrr s VAL 1315Cb -0.01 -4.02 -0.25 0.00 0.00 0.00 0.00 36.38 32.11 3hrr s VAL 1315CO -0.03 0.19 0.29 0.52 0.00 0.00 0.00 175.10 176.07 3hrr n VAL 1316N 4.14 1.73 -3.68 2.92 0.31 0.26 -4.94 118.33 119.07 3hrr n VAL 1316Ca -0.01 -0.65 -0.14 0.00 -0.01 0.00 0.00 64.34 63.53 3hrr n VAL 1316Cb 0.51 -1.65 -0.08 0.00 -0.91 0.00 0.00 33.84 31.71 3hrr n VAL 1316CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3hrr s GLU 1317N -2.55 0.68 -0.28 5.55 2.12 -0.90 -4.98 118.70 118.33 3hrr s GLU 1317Ca -0.23 0.60 0.01 0.00 0.36 0.00 0.00 54.97 55.70 3hrr s GLU 1317Cb 0.07 0.33 0.15 0.00 0.26 0.00 0.00 34.13 34.94 3hrr s GLU 1317CO 0.75 -0.11 0.39 -2.00 -0.54 0.00 0.00 175.26 173.75 3hrr s GLU 1318N -0.04 0.39 -0.15 4.30 2.12 -1.26 -0.46 118.70 123.59 3hrr s GLU 1318Ca -0.03 0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.53 3hrr s GLU 1318Cb -0.03 -0.38 0.03 0.00 0.26 0.00 0.00 34.13 34.00 3hrr s GLU 1318CO 0.02 -0.93 -0.13 0.95 -0.54 0.00 0.00 175.26 174.64 3hrr s THR 1319N 2.53 1.52 0.18 -1.70 -4.23 -0.30 -5.02 115.64 108.63 3hrr s THR 1319Ca 0.11 -0.66 -0.01 0.00 -1.18 0.00 0.00 61.69 59.94 3hrr s THR 1319Cb -0.13 -1.47 -0.04 0.00 1.34 0.00 0.00 72.50 72.19 3hrr s THR 1319CO -0.27 0.39 0.37 0.42 -0.54 0.00 0.00 174.62 175.00 3hrr s THR 1320N 1.50 5.22 0.15 3.99 -4.23 -1.26 -1.17 115.64 119.84 3hrr s THR 1320Ca 0.04 -0.37 -0.09 0.00 -1.18 0.00 0.00 61.69 60.09 3hrr s THR 1320Cb -0.13 -3.72 -0.01 0.00 1.34 0.00 0.00 72.50 69.98 3hrr s THR 1320CO -0.10 -0.13 0.26 -0.75 -0.54 0.00 0.00 174.62 173.36 3hrr s LYS 1321N -3.23 1.10 0.16 3.99 2.20 0.48 -4.97 119.74 119.48 3hrr s LYS 1321Ca 0.38 -1.15 -0.18 0.00 -0.36 0.00 0.00 55.97 54.66 3hrr s LYS 1321Cb -0.11 0.37 0.09 0.00 -1.51 0.00 0.00 37.83 36.66 3hrr s LYS 1321CO 0.29 -0.39 1.65 -1.00 -0.36 0.00 0.00 175.35 175.54 3hrr h PRO 1322N 2.58 -0.07 -0.55 4.03 0.13 -1.99 -3.29 132.00 132.84 3hrr h PRO 1322Ca -0.32 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.72 3hrr h PRO 1322Cb 1.22 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.31 3hrr h PRO 1322CO 0.50 -0.04 0.10 1.28 -0.23 0.00 0.00 178.00 179.60 3hrr n LEU 1323N -5.34 5.37 0.00 1.56 4.77 -1.26 -4.45 117.00 117.66 3hrr n LEU 1323Ca 0.02 -3.12 0.00 0.00 -0.03 0.00 0.00 56.01 52.87 3hrr n LEU 1323Cb 0.25 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 3hrr n LEU 1323CO 0.14 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 3hrr n GLY 1324N -0.05 -0.29 3.42 -0.72 0.00 -1.24 -2.39 105.19 103.90 3hrr n GLY 1324Ca 0.32 -1.50 -0.16 0.00 0.00 0.00 0.00 46.02 44.68 3hrr n GLY 1324CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrr s ALA 1325N -1.00 -1.39 -0.07 4.61 0.00 -0.15 -0.39 121.76 123.38 3hrr s ALA 1325Ca 0.00 0.99 0.04 0.00 0.00 0.00 0.00 51.96 52.99 3hrr s ALA 1325Cb 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.07 3hrr s ALA 1325CO 0.00 -0.32 -0.20 0.99 0.00 0.00 0.00 175.76 176.23 3hrr s THR 1326N -1.12 1.66 -0.11 0.00 2.01 -0.32 -0.66 115.64 117.10 3hrr s THR 1326Ca -0.11 -0.82 -0.01 0.00 0.31 0.00 0.00 61.69 61.06 3hrr s THR 1326Cb -0.02 -1.44 0.03 0.00 0.01 0.00 0.00 72.50 71.08 3hrr s THR 1326CO 0.07 0.47 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.20 3hrr s LEU 1327N 0.20 1.12 -0.18 4.42 2.96 0.37 -1.15 118.68 126.42 3hrr s LEU 1327Ca -0.10 -0.32 -0.00 0.00 -0.22 0.00 0.00 54.13 53.49 3hrr s LEU 1327Cb -0.15 -0.77 0.01 0.00 0.50 0.00 0.00 46.19 45.78 3hrr s LEU 1327CO 0.05 -0.15 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.08 3hrr s VAL 1328N 1.75 2.46 0.33 1.68 1.01 0.39 -0.34 120.40 127.68 3hrr s VAL 1328Ca 0.04 -0.81 0.09 0.00 0.00 0.00 0.00 61.98 61.30 3hrr s VAL 1328Cb -0.13 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 3hrr s VAL 1328CO -0.08 0.51 -0.02 0.68 0.00 0.00 0.00 175.10 176.19 3hrr s VAL 1329N 1.21 2.65 0.01 2.92 -7.23 -0.13 0.90 120.40 120.73 3hrr s VAL 1329Ca 0.02 -2.03 0.02 0.00 -1.81 0.00 0.00 61.98 58.18 3hrr s VAL 1329Cb -0.14 -2.74 -0.01 0.00 0.56 0.00 0.00 36.38 34.06 3hrr s VAL 1329CO -0.08 -0.24 -0.07 -0.70 -0.31 0.00 0.00 175.10 173.71 3hrr s GLU 1330N -3.68 0.53 -0.11 4.82 2.12 0.47 -1.04 118.70 121.80 3hrr s GLU 1330Ca 0.34 -0.34 -0.02 0.00 0.36 0.00 0.00 54.97 55.30 3hrr s GLU 1330Cb -0.01 -0.47 0.04 0.00 0.26 0.00 0.00 34.13 33.94 3hrr s GLU 1330CO 0.19 0.12 0.01 0.99 -0.54 0.00 0.00 175.26 176.03 3hrr s THR 1331N -0.40 0.46 -0.65 -1.70 2.01 0.72 -0.83 115.64 115.25 3hrr s THR 1331Ca 0.00 -0.11 -0.26 0.00 0.31 0.00 0.00 61.69 61.63 3hrr s THR 1331Cb -0.04 -0.71 0.04 0.00 0.01 0.00 0.00 72.50 71.79 3hrr s THR 1331CO -0.00 0.13 1.15 -0.62 -0.69 0.00 0.00 174.62 174.59 3hrr s ASP 1332N 1.92 6.28 0.00 3.53 -1.08 -1.26 -0.45 116.67 125.61 3hrr s ASP 1332Ca 0.03 -0.34 0.16 0.00 -0.52 0.00 0.00 52.55 51.89 3hrr s ASP 1332Cb -0.14 -2.52 0.70 0.00 -1.46 0.00 0.00 42.92 39.50 3hrr s ASP 1332CO -0.06 -1.57 1.52 2.30 0.52 0.00 0.00 175.17 177.88 3hrr n ILE 1333N 6.38 0.87 0.60 4.11 -5.35 -0.44 -1.38 119.36 124.15 3hrr n ILE 1333Ca 0.04 0.22 0.13 0.00 -0.27 0.00 0.00 62.75 62.86 3hrr n ILE 1333Cb 0.48 -0.94 0.39 0.00 -1.74 0.00 0.00 39.64 37.84 3hrr n ILE 1333CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3hrr h SER 1334N 0.00 0.00 -3.71 7.28 0.02 -1.84 -3.27 113.55 112.04 3hrr h SER 1334Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 3hrr h SER 1334Cb 0.28 0.00 0.12 0.00 0.14 0.00 0.00 62.40 62.94 3hrr h SER 1334CO 0.00 0.00 0.64 -1.14 -1.14 0.00 0.00 176.83 175.19 3hrr n ARG 1335N -2.31 2.32 0.25 3.45 0.63 -0.48 -4.63 116.66 115.89 3hrr n ARG 1335Ca 0.05 0.82 0.08 0.00 -0.92 0.00 0.00 57.85 57.88 3hrr n ARG 1335Cb 0.44 -2.52 0.62 0.00 0.45 0.00 0.00 32.46 31.44 3hrr n ARG 1335CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 3hrr h LYS 1336N 2.56 0.00 0.00 -0.14 1.63 -1.91 -1.01 116.57 117.69 3hrr h LYS 1336Ca -0.49 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 3hrr h LYS 1336Cb 1.27 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.90 3hrr h LYS 1336CO 0.62 0.06 0.00 0.38 -3.45 0.00 0.00 179.45 177.06 3hrr h ASP 1337N 0.00 0.00 0.00 4.20 2.03 -1.96 -3.36 116.42 117.33 3hrr h ASP 1337Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3hrr h ASP 1337Cb 0.11 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.61 3hrr h ASP 1337CO 0.01 0.00 -1.02 0.55 -1.03 0.00 0.00 179.24 177.75 3hrr n VAL 1338N -3.03 0.00 -0.21 4.15 3.14 -0.54 -4.73 118.33 117.11 3hrr n VAL 1338Ca 0.02 -0.17 -0.08 0.00 -2.96 0.00 0.00 64.34 61.15 3hrr n VAL 1338Cb 0.40 0.51 0.03 0.00 -1.06 0.00 0.00 33.84 33.72 3hrr n VAL 1338CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 3hrr h ASN 1339N 0.00 0.91 -0.35 6.55 -1.24 -1.29 0.14 115.58 120.30 3hrr h ASN 1339Ca 0.00 -0.23 0.07 0.00 0.71 0.00 0.00 56.30 56.84 3hrr h ASN 1339Cb 0.20 -0.24 -0.06 0.00 0.73 0.00 0.00 38.32 38.95 3hrr h ASN 1339CO 0.00 0.91 -0.05 1.23 -1.29 0.00 0.00 177.43 178.22 3hrr h GLY 1340N 0.87 0.29 1.11 1.57 0.00 -1.86 -2.72 103.07 102.33 3hrr h GLY 1340Ca 0.19 0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.55 3hrr h GLY 1340CO 0.00 -0.11 0.26 -2.00 0.00 0.00 0.00 176.54 174.69 3hrr h LEU 1341N 0.04 1.04 -1.85 3.11 5.85 -1.66 -2.56 115.31 119.28 3hrr h LEU 1341Ca 0.17 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3hrr h LEU 1341Cb 0.25 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 3hrr h LEU 1341CO -0.33 0.94 -0.14 0.00 -0.34 0.00 0.00 178.44 178.58 3hrr h ALA 1342N 1.20 1.41 -1.25 1.25 0.00 -0.50 -3.30 119.26 118.07 3hrr h ALA 1342Ca 0.24 -0.13 -0.76 0.00 0.00 0.00 0.00 54.91 54.27 3hrr h ALA 1342Cb 0.25 -0.02 -0.18 0.00 0.00 0.00 0.00 17.79 17.84 3hrr h ALA 1342CO -0.01 0.17 1.68 0.54 0.00 0.00 0.00 179.25 181.63 3hrr n ARG 1343N -3.85 3.67 0.07 0.00 1.74 -0.97 -3.18 116.66 114.15 3hrr n ARG 1343Ca -0.02 -3.75 -0.21 0.00 -0.77 0.00 0.00 57.85 53.09 3hrr n ARG 1343Cb 0.24 -2.89 -0.13 0.00 -1.02 0.00 0.00 32.46 28.66 3hrr n ARG 1343CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3hrr h GLY 1344N 7.92 0.59 -2.28 -0.13 0.00 -1.47 -3.39 103.07 104.30 3hrr h GLY 1344Ca 0.35 -1.26 -0.54 0.00 0.00 0.00 0.00 47.33 45.88 3hrr h GLY 1344CO 1.49 1.10 -0.73 0.30 0.00 0.00 0.00 176.54 178.71 3hrr s HIS 1345N -2.87 2.07 -0.08 5.60 3.76 -1.06 -1.72 115.29 120.98 3hrr s HIS 1345Ca -0.11 -0.49 -0.02 0.00 -0.15 0.00 0.00 55.06 54.29 3hrr s HIS 1345Cb 0.04 -1.00 0.04 0.00 1.11 0.00 0.00 32.58 32.76 3hrr s HIS 1345CO 0.90 0.51 0.03 -1.17 -0.85 0.00 0.00 174.74 174.16 3hrr s LEU 1346N -3.45 0.47 -0.16 0.89 2.96 0.73 -1.22 118.68 118.90 3hrr s LEU 1346Ca 0.28 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 54.04 3hrr s LEU 1346Cb -0.01 -0.34 0.02 0.00 0.50 0.00 0.00 46.19 46.36 3hrr s LEU 1346CO 0.12 -0.24 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.02 3hrr s VAL 1347N 2.04 1.99 -1.43 1.68 1.01 -0.51 -0.89 120.40 124.30 3hrr s VAL 1347Ca 0.04 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 3hrr s VAL 1347Cb -0.13 -1.79 0.03 0.00 0.00 0.00 0.00 36.38 34.50 3hrr s VAL 1347CO -0.05 0.53 0.67 0.47 0.00 0.00 0.00 175.10 176.72 3hrr n ASP 1348N 4.44 -1.82 0.00 3.32 8.00 -1.26 -0.50 116.55 128.72 3hrr n ASP 1348Ca -0.20 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.40 3hrr n ASP 1348Cb 0.51 -3.55 0.00 0.00 -0.02 0.00 0.00 41.12 38.06 3hrr n ASP 1348CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hrr n GLY 1349N -1.72 0.22 3.59 0.44 0.00 -1.26 -4.99 105.19 101.47 3hrr n GLY 1349Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 3hrr n GLY 1349CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hrr s ILE 1350N -1.61 5.21 0.43 -0.61 1.01 0.34 -5.07 121.20 120.90 3hrr s ILE 1350Ca 0.00 0.36 -0.23 0.00 0.00 0.00 0.00 60.65 60.78 3hrr s ILE 1350Cb 0.00 -3.67 -0.08 0.00 0.01 0.00 0.00 42.46 38.72 3hrr s ILE 1350CO 0.00 0.14 1.09 -2.16 0.00 0.00 0.00 174.94 174.01 3hrr s PRO 1351N 1.97 3.98 -0.02 2.79 0.04 -1.26 -1.42 135.00 141.07 3hrr s PRO 1351Ca 0.12 1.59 0.02 0.00 0.04 0.00 0.00 61.00 62.77 3hrr s PRO 1351Cb -0.16 -2.45 0.01 0.00 0.04 0.00 0.00 34.50 31.94 3hrr s PRO 1351CO 0.11 -0.32 -0.06 -0.51 0.04 0.00 0.00 177.00 176.25 3hrr s LEU 1352N -2.86 1.71 0.20 -3.56 1.43 -0.36 -4.04 118.68 111.19 3hrr s LEU 1352Ca 0.61 -0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 53.28 3hrr s LEU 1352Cb -0.24 -0.42 -0.08 0.00 0.03 0.00 0.00 46.19 45.48 3hrr s LEU 1352CO 0.29 0.03 1.18 0.00 0.23 0.00 0.00 176.35 178.08 3hrr s THR 1354N -0.20 4.94 0.48 0.00 -4.23 -1.26 -4.66 115.64 110.72 3hrr s THR 1354Ca 0.52 0.27 0.24 0.00 -1.18 0.00 0.00 61.69 61.54 3hrr s THR 1354Cb -0.32 -3.71 0.42 0.00 1.34 0.00 0.00 72.50 70.22 3hrr s THR 1354CO 0.37 -0.34 1.89 -0.65 -0.54 0.00 0.00 174.62 175.36 3hrr h PRO 1355N 1.70 0.18 -0.15 3.99 0.11 -1.97 0.54 132.00 136.41 3hrr h PRO 1355Ca -0.47 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.67 3hrr h PRO 1355Cb 1.19 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3hrr h PRO 1355CO 0.66 0.12 0.17 0.66 -0.21 0.00 0.00 178.00 179.40 3hrr h SER 1356N 0.19 0.00 -0.23 -2.05 4.64 -1.94 -1.55 113.55 112.61 3hrr h SER 1356Ca 0.42 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.68 3hrr h SER 1356Cb 1.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 3hrr h SER 1356CO -0.08 0.00 -0.06 0.15 -0.87 0.00 0.00 176.83 175.97 3hrr h PHE 1357N 0.00 0.50 -0.66 4.77 3.57 -1.17 -1.15 116.94 122.81 3hrr h PHE 1357Ca 0.07 -0.11 -0.08 0.00 3.53 0.00 0.00 57.97 61.38 3hrr h PHE 1357Cb 0.40 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 3hrr h PHE 1357CO 0.00 0.68 0.11 1.88 -2.23 0.00 0.00 178.31 178.75 3hrr h TYR 1358N 0.18 1.15 -0.79 0.41 0.05 -1.47 -2.91 116.97 113.59 3hrr h TYR 1358Ca 0.06 -0.15 -0.02 0.00 0.05 0.00 0.00 58.73 58.67 3hrr h TYR 1358Cb 0.52 -0.32 -0.04 0.00 1.01 0.00 0.00 36.73 37.90 3hrr h TYR 1358CO 0.05 0.96 0.42 0.00 -1.05 0.00 0.00 178.16 178.54 3hrr h ALA 1359N 1.09 1.25 -0.19 3.88 0.00 -1.12 0.87 119.26 125.05 3hrr h ALA 1359Ca 0.20 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hrr h ALA 1359Cb 0.43 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3hrr h ALA 1359CO 0.01 0.60 0.11 0.22 0.00 0.00 0.00 179.25 180.19 3hrr h ASP 1360N 1.10 0.23 -0.57 0.00 3.58 -1.02 -0.75 116.42 118.99 3hrr h ASP 1360Ca 0.28 -0.06 -0.10 0.00 0.42 0.00 0.00 57.03 57.56 3hrr h ASP 1360Cb 0.05 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 3hrr h ASP 1360CO -0.04 0.23 -0.03 0.40 -2.88 0.00 0.00 179.24 176.92 3hrr h ILE 1361N 0.22 1.27 -0.42 2.25 2.04 -1.26 -1.81 117.51 119.80 3hrr h ILE 1361Ca 0.07 -1.17 0.03 0.00 1.00 0.00 0.00 64.86 64.79 3hrr h ILE 1361Cb 0.04 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 3hrr h ILE 1361CO -0.01 0.42 0.21 0.00 0.00 0.00 0.00 178.15 178.77 3hrr h ALA 1362N 0.96 0.53 -0.96 1.87 0.00 -0.63 -0.10 119.26 120.93 3hrr h ALA 1362Ca 0.16 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.13 3hrr h ALA 1362Cb 0.58 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 3hrr h ALA 1362CO 0.03 -0.14 0.62 0.52 0.00 0.00 0.00 179.25 180.28 3hrr h MET 1363N 0.43 1.14 -0.04 0.00 2.86 -0.79 0.09 114.93 118.62 3hrr h MET 1363Ca 0.18 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 3hrr h MET 1363Cb 0.09 -0.26 -0.00 0.00 0.06 0.00 0.00 31.60 31.49 3hrr h MET 1363CO -0.13 0.75 -0.03 1.96 1.06 0.00 0.00 176.91 180.53 3hrr h GLN 1364N 1.18 0.09 -0.25 1.72 4.20 -0.44 0.18 115.11 121.80 3hrr h GLN 1364Ca 0.40 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.93 3hrr h GLN 1364Cb 0.07 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3hrr h GLN 1364CO -0.14 0.52 -0.41 -0.39 -0.67 0.00 0.00 178.83 177.73 3hrr h VAL 1365N -0.33 1.30 0.20 -0.54 -1.51 -1.02 -1.48 116.25 112.86 3hrr h VAL 1365Ca 0.01 -1.58 -0.01 0.00 -1.23 0.00 0.00 66.70 63.89 3hrr h VAL 1365Cb 0.49 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 3hrr h VAL 1365CO 0.01 0.50 -0.09 1.23 -1.23 0.00 0.00 177.57 177.98 3hrr h GLY 1366N 1.04 -0.27 0.84 5.19 0.00 -0.98 -0.62 103.07 108.27 3hrr h GLY 1366Ca 0.04 0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.51 3hrr h GLY 1366CO 0.08 -0.10 0.55 1.46 0.00 0.00 0.00 176.54 178.53 3hrr h GLN 1367N -0.33 1.03 0.27 4.80 4.20 -0.58 0.35 115.11 124.83 3hrr h GLN 1367Ca -0.03 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 3hrr h GLN 1367Cb 0.26 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3hrr h GLN 1367CO 0.04 0.68 -0.13 -0.92 -0.67 0.00 0.00 178.83 177.84 3hrr h TYR 1368N 1.06 -0.33 -0.76 2.96 3.20 -1.26 -0.72 116.97 121.12 3hrr h TYR 1368Ca 0.35 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.33 3hrr h TYR 1368Cb 0.04 0.11 -0.08 0.00 1.54 0.00 0.00 36.73 38.34 3hrr h TYR 1368CO -0.02 -0.05 0.38 0.77 -1.64 0.00 0.00 178.16 177.59 3hrr h SER 1369N -0.59 0.47 -0.42 -2.11 0.02 -0.94 -0.58 113.55 109.41 3hrr h SER 1369Ca -0.04 0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.91 3hrr h SER 1369Cb 0.43 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 3hrr h SER 1369CO 0.06 0.24 -0.05 -0.03 -1.14 0.00 0.00 176.83 175.91 3hrr h MET 1370N 0.61 0.78 -0.53 3.45 1.85 -0.83 -3.01 114.93 117.25 3hrr h MET 1370Ca 0.39 -0.27 -0.09 0.00 -0.61 0.00 0.00 59.70 59.11 3hrr h MET 1370Cb 0.47 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.42 3hrr h MET 1370CO -0.31 0.88 -0.05 1.96 -0.40 0.00 0.00 176.91 178.99 3hrr h GLN 1371N 0.60 0.93 0.00 0.39 4.20 -0.70 -1.76 115.11 118.77 3hrr h GLN 1371Ca 0.11 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.52 3hrr h GLN 1371Cb 0.56 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.26 3hrr h GLN 1371CO 0.03 0.95 0.00 2.89 -0.67 0.00 0.00 178.83 182.04 3hrr n ARG 1372N -4.17 0.15 -0.00 1.46 -4.01 -0.26 -2.88 116.66 106.94 3hrr n ARG 1372Ca 0.02 0.22 0.07 0.00 -1.04 0.00 0.00 57.85 57.12 3hrr n ARG 1372Cb 0.35 -1.72 -0.10 0.00 -3.04 0.00 0.00 32.46 27.96 3hrr n ARG 1372CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 3hrr n LEU 1373N -1.99 0.22 -1.20 2.89 4.77 -1.14 -5.09 117.00 115.45 3hrr n LEU 1373Ca 0.05 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3hrr n LEU 1373Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3hrr n LEU 1373CO 0.25 0.05 -0.02 0.54 -1.33 0.00 0.00 177.39 176.88 3hrr n ARG 1374N -1.77 -0.25 0.00 3.23 1.74 -0.67 -4.66 116.66 114.28 3hrr n ARG 1374Ca -0.01 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 3hrr n ARG 1374Cb 0.32 -0.68 0.00 0.00 -1.02 0.00 0.00 32.46 31.08 3hrr n ARG 1374CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hrr n GLY 1385N -0.48 1.68 3.77 -0.13 0.00 -1.26 -4.82 105.19 103.94 3hrr n GLY 1385Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3hrr n GLY 1385CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hrr s LEU 1386N -0.75 4.39 -0.20 0.99 1.43 -1.26 -4.99 118.68 118.29 3hrr s LEU 1386Ca 0.00 1.02 -0.12 0.00 -1.03 0.00 0.00 54.13 54.00 3hrr s LEU 1386Cb 0.00 -2.78 -0.05 0.00 0.03 0.00 0.00 46.19 43.39 3hrr s LEU 1386CO 0.00 0.13 0.21 -0.69 0.23 0.00 0.00 176.35 176.22 3hrr s VAL 1387N -0.17 5.35 -0.21 -1.59 1.01 -1.26 -1.47 120.40 122.06 3hrr s VAL 1387Ca 0.28 0.33 -0.06 0.00 0.00 0.00 0.00 61.98 62.53 3hrr s VAL 1387Cb -0.17 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 3hrr s VAL 1387CO 0.14 0.39 0.02 -0.62 0.00 0.00 0.00 175.10 175.03 3hrr s ASP 1388N 0.61 5.01 -0.82 3.32 -1.08 0.90 -4.56 116.67 120.06 3hrr s ASP 1388Ca 0.11 -0.16 -0.22 0.00 -0.52 0.00 0.00 52.55 51.77 3hrr s ASP 1388Cb -0.12 -1.87 0.08 0.00 -1.46 0.00 0.00 42.92 39.56 3hrr s ASP 1388CO 0.02 0.06 1.12 -0.69 0.52 0.00 0.00 175.17 176.21 3hrr s VAL 1389N 1.02 4.35 0.33 1.11 1.01 -0.58 -0.82 120.40 126.81 3hrr s VAL 1389Ca 0.03 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.30 3hrr s VAL 1389Cb -0.14 -4.80 -0.03 0.00 0.00 0.00 0.00 36.38 31.41 3hrr s VAL 1389CO 0.02 -1.59 0.21 -0.94 0.00 0.00 0.00 175.10 172.81 3hrr s SER 1390N 3.87 5.02 -1.52 3.32 1.04 -0.25 -2.05 113.70 123.13 3hrr s SER 1390Ca 0.31 -0.60 -0.09 0.00 0.48 0.00 0.00 55.95 56.04 3hrr s SER 1390Cb -0.09 -0.89 0.07 0.00 0.10 0.00 0.00 66.02 65.21 3hrr s SER 1390CO 0.01 -0.30 0.71 0.47 0.98 0.00 0.00 173.24 175.11 3hrr n ASP 1391N -1.25 -2.48 -4.69 7.02 8.00 0.03 -0.53 116.55 122.66 3hrr n ASP 1391Ca -0.03 -0.93 -0.42 0.00 0.71 0.00 0.00 54.79 54.12 3hrr n ASP 1391Cb 0.60 -3.30 -0.03 0.00 -0.02 0.00 0.00 41.12 38.38 3hrr n ASP 1391CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3hrr s MET 1392N -6.62 4.39 -0.14 -1.24 -2.45 -0.21 -4.06 119.30 108.98 3hrr s MET 1392Ca 0.40 1.53 0.00 0.00 -1.25 0.00 0.00 55.69 56.37 3hrr s MET 1392Cb -0.21 -3.55 0.02 0.00 1.25 0.00 0.00 34.83 32.35 3hrr s MET 1392CO 0.88 -0.38 -0.12 0.08 1.05 0.00 0.00 175.02 176.53 3hrr s VAL 1393N 2.08 1.42 -0.39 10.11 1.01 0.11 -2.08 120.40 132.66 3hrr s VAL 1393Ca 0.52 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.84 3hrr s VAL 1393Cb -0.22 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 34.84 3hrr s VAL 1393CO 0.20 0.43 0.24 -0.69 0.00 0.00 0.00 175.10 175.29 3hrr s VAL 1394N 1.54 4.86 -0.21 2.92 1.01 -0.38 -1.89 120.40 128.25 3hrr s VAL 1394Ca 0.05 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 3hrr s VAL 1394Cb -0.13 -3.70 -0.19 0.00 0.00 0.00 0.00 36.38 32.36 3hrr s VAL 1394CO -0.10 -0.25 0.00 -0.67 0.00 0.00 0.00 175.10 174.08 3hrr n ASP 1395N 5.06 2.00 -3.94 3.32 2.03 0.67 -4.89 116.55 120.80 3hrr n ASP 1395Ca -0.12 0.16 -0.18 0.00 0.52 0.00 0.00 54.79 55.18 3hrr n ASP 1395Cb 0.47 -0.73 -0.15 0.00 -0.72 0.00 0.00 41.12 39.98 3hrr n ASP 1395CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3hrr s LYS 1396N -2.50 0.65 0.36 -0.67 1.02 -0.74 -5.06 119.74 112.80 3hrr s LYS 1396Ca -0.31 -0.17 -0.26 0.00 0.02 0.00 0.00 55.97 55.25 3hrr s LYS 1396Cb 0.09 -0.64 -0.12 0.00 -0.52 0.00 0.00 37.83 36.63 3hrr s LYS 1396CO 0.63 0.04 0.99 0.00 -0.92 0.00 0.00 175.35 176.09 3hrr n ALA 1397N 3.42 -0.06 -3.81 5.17 0.00 -1.26 -4.65 120.51 119.32 3hrr n ALA 1397Ca -0.19 0.30 -0.34 0.00 0.00 0.00 0.00 53.44 53.21 3hrr n ALA 1397Cb 0.55 -2.04 -0.15 0.00 0.00 0.00 0.00 19.45 17.80 3hrr n ALA 1397CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3hrr s LEU 1398N 0.04 2.48 -0.40 0.00 2.96 -1.26 -5.00 118.68 117.51 3hrr s LEU 1398Ca 0.61 -0.53 -0.09 0.00 -0.22 0.00 0.00 54.13 53.91 3hrr s LEU 1398Cb -0.62 -1.60 0.06 0.00 0.50 0.00 0.00 46.19 44.53 3hrr s LEU 1398CO 0.59 -0.00 0.22 -0.69 -1.32 0.00 0.00 176.35 175.14 3hrr s VAL 1399N 1.35 4.13 -0.81 1.68 1.01 -1.26 -1.15 120.40 125.35 3hrr s VAL 1399Ca 0.05 -1.30 -0.26 0.00 0.00 0.00 0.00 61.98 60.47 3hrr s VAL 1399Cb -0.14 -3.47 0.02 0.00 0.00 0.00 0.00 36.38 32.79 3hrr s VAL 1399CO -0.08 -0.41 1.46 -2.84 0.00 0.00 0.00 175.10 173.23 3hrr s PRO 1400N 1.42 3.17 0.39 2.72 0.02 -1.26 -4.85 135.00 136.61 3hrr s PRO 1400Ca 0.02 -0.36 0.16 0.00 0.02 0.00 0.00 61.00 60.83 3hrr s PRO 1400Cb -0.22 -4.60 0.79 0.00 0.02 0.00 0.00 34.50 30.49 3hrr s PRO 1400CO 0.03 -2.35 1.83 1.12 -0.33 0.00 0.00 177.00 177.30 3hrr h HIS 1401N 10.78 0.00 -1.26 6.54 2.07 -1.95 -3.47 115.15 127.87 3hrr h HIS 1401Ca -0.12 0.00 -0.26 0.00 -2.85 0.00 0.00 60.37 57.15 3hrr h HIS 1401Cb 1.05 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.98 3hrr h HIS 1401CO 1.17 0.35 -0.29 0.41 -3.07 0.00 0.00 177.93 176.50 3hrr n GLY 1402N -0.33 0.56 2.72 6.13 0.00 -1.26 -4.97 105.19 108.03 3hrr n GLY 1402Ca -0.02 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 3hrr n GLY 1402CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hrr n LYS 1403N -2.42 1.87 0.00 1.61 5.02 -1.26 -5.04 118.16 117.95 3hrr n LYS 1403Ca -0.14 -4.42 0.00 0.00 -2.02 0.00 0.00 58.31 51.73 3hrr n LYS 1403Cb 0.52 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 3hrr n LYS 1403CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hrr n GLY 1404N 1.71 -0.34 3.72 0.72 0.00 -1.26 -4.95 105.19 104.79 3hrr n GLY 1404Ca 0.23 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 3hrr n GLY 1404CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hrr n PRO 1405N -0.31 2.02 -3.62 1.61 -0.02 -1.26 -4.68 135.00 128.73 3hrr n PRO 1405Ca 0.00 0.72 -0.29 0.00 -2.02 0.00 0.00 63.50 61.91 3hrr n PRO 1405Cb 0.00 -2.46 -0.15 0.00 -0.02 0.00 0.00 33.50 30.86 3hrr n PRO 1405CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3hrr s GLN 1406N -2.30 0.36 -0.44 -0.52 0.74 -1.26 -4.97 119.66 111.27 3hrr s GLN 1406Ca 0.61 -0.62 -0.17 0.00 0.05 0.00 0.00 55.36 55.24 3hrr s GLN 1406Cb -0.49 -1.55 0.04 0.00 1.10 0.00 0.00 33.01 32.11 3hrr s GLN 1406CO 0.58 -0.93 0.44 -0.51 -0.55 0.00 0.00 175.29 174.31 3hrr s LEU 1407N 1.95 5.05 -0.30 3.68 1.43 -1.03 -1.33 118.68 128.13 3hrr s LEU 1407Ca 0.07 -0.86 -0.24 0.00 -1.03 0.00 0.00 54.13 52.07 3hrr s LEU 1407Cb -0.16 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.72 3hrr s LEU 1407CO -0.28 -0.63 0.82 -0.22 0.23 0.00 0.00 176.35 176.28 3hrr s LEU 1408N 2.07 4.07 -0.24 1.79 2.96 0.40 0.73 118.68 130.47 3hrr s LEU 1408Ca 0.10 0.75 -0.10 0.00 -0.22 0.00 0.00 54.13 54.67 3hrr s LEU 1408Cb -0.19 -3.14 -0.04 0.00 0.50 0.00 0.00 46.19 43.32 3hrr s LEU 1408CO 0.12 -0.63 0.13 -0.60 -1.32 0.00 0.00 176.35 174.05 3hrr s ARG 1409N 3.02 3.95 -0.24 1.98 3.52 0.35 -0.20 118.95 131.33 3hrr s ARG 1409Ca 0.34 -0.33 -0.05 0.00 -0.13 0.00 0.00 55.73 55.56 3hrr s ARG 1409Cb -0.14 -3.47 -0.00 0.00 -1.56 0.00 0.00 34.95 29.77 3hrr s ARG 1409CO 0.12 -0.01 -0.01 0.99 -0.81 0.00 0.00 175.30 175.59 3hrr s THR 1410N 1.21 3.54 -0.26 4.11 2.01 -0.21 -1.76 115.64 124.29 3hrr s THR 1410Ca 0.06 -0.55 -0.05 0.00 0.31 0.00 0.00 61.69 61.46 3hrr s THR 1410Cb -0.14 -2.68 0.00 0.00 0.01 0.00 0.00 72.50 69.69 3hrr s THR 1410CO 0.05 0.32 0.01 -0.89 -0.69 0.00 0.00 174.62 173.43 3hrr s THR 1411N 1.48 3.64 -0.15 -0.82 2.01 -0.23 -0.96 115.64 120.62 3hrr s THR 1411Ca 0.05 -0.60 -0.05 0.00 0.31 0.00 0.00 61.69 61.40 3hrr s THR 1411Cb -0.15 -2.78 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 3hrr s THR 1411CO -0.01 0.25 0.01 -0.22 -0.69 0.00 0.00 174.62 173.96 3hrr s LEU 1412N 1.48 3.55 -0.02 4.42 0.20 0.54 -1.11 118.68 127.74 3hrr s LEU 1412Ca 0.04 0.01 0.04 0.00 0.69 0.00 0.00 54.13 54.91 3hrr s LEU 1412Cb -0.16 -1.86 -0.01 0.00 -0.43 0.00 0.00 46.19 43.73 3hrr s LEU 1412CO -0.00 0.21 -0.15 0.42 -0.29 0.00 0.00 176.35 176.54 3hrr s THR 1413N 0.11 1.20 0.08 3.68 -4.23 0.24 -0.48 115.64 116.24 3hrr s THR 1413Ca 0.02 -0.62 0.07 0.00 -1.18 0.00 0.00 61.69 59.97 3hrr s THR 1413Cb -0.13 -1.02 -0.03 0.00 1.34 0.00 0.00 72.50 72.66 3hrr s THR 1413CO 0.02 0.35 -0.17 -0.04 -0.54 0.00 0.00 174.62 174.23 3hrr s MET 1414N -0.16 0.97 0.05 3.99 -1.94 0.17 -1.46 119.30 120.93 3hrr s MET 1414Ca 0.02 -1.04 0.03 0.00 -1.71 0.00 0.00 55.69 52.99 3hrr s MET 1414Cb -0.08 -1.10 -0.03 0.00 2.01 0.00 0.00 34.83 35.63 3hrr s MET 1414CO 0.00 0.25 -0.11 -1.21 -0.01 0.00 0.00 175.02 173.95 3hrr s GLU 1415N -1.78 0.66 0.22 2.03 2.02 -1.26 -0.98 118.70 119.62 3hrr s GLU 1415Ca 0.02 -0.82 -0.23 0.00 0.02 0.00 0.00 54.97 53.96 3hrr s GLU 1415Cb -0.10 -0.54 0.05 0.00 0.10 0.00 0.00 34.13 33.64 3hrr s GLU 1415CO 0.03 0.11 0.88 1.67 0.02 0.00 0.00 175.26 177.97 3hrr s TRP 1416N -1.28 -0.11 0.58 1.61 -2.14 -1.01 -4.90 118.94 111.70 3hrr s TRP 1416Ca -0.06 -0.29 -0.14 0.00 2.66 0.00 0.00 56.10 58.27 3hrr s TRP 1416Cb -0.10 0.69 -0.05 0.00 -3.10 0.00 0.00 33.47 30.91 3hrr s TRP 1416CO 0.01 -1.03 1.02 -2.14 -2.66 0.00 0.00 176.95 172.15 3hrr s PRO 1417N -3.30 3.59 -0.33 3.25 0.02 -1.26 -4.57 135.00 132.41 3hrr s PRO 1417Ca 0.13 0.96 -0.41 0.00 0.02 0.00 0.00 61.00 61.70 3hrr s PRO 1417Cb -0.03 -2.08 -0.16 0.00 0.02 0.00 0.00 34.50 32.25 3hrr s PRO 1417CO 0.05 -0.57 1.79 -2.30 -0.33 0.00 0.00 177.00 175.64 3hrr n PRO 1418N -2.17 0.94 -1.00 5.54 -0.02 -1.26 -1.69 135.00 135.34 3hrr n PRO 1418Ca 0.07 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3hrr n PRO 1418Cb 0.54 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 3hrr n PRO 1418CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3hrr n LYS 1419N 5.61 -0.01 -0.20 -0.52 4.81 -1.26 -4.83 118.16 121.75 3hrr n LYS 1419Ca 0.30 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.80 3hrr n LYS 1419Cb 0.10 -2.81 0.15 0.00 0.02 0.00 0.00 35.03 32.50 3hrr n LYS 1419CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3hrr n ALA 1420N 1.00 2.36 -0.36 3.14 0.00 -0.68 -4.69 120.51 121.28 3hrr n ALA 1420Ca 0.00 -1.55 0.26 0.00 0.00 0.00 0.00 53.44 52.15 3hrr n ALA 1420Cb 0.00 -0.42 0.53 0.00 0.00 0.00 0.00 19.45 19.57 3hrr n ALA 1420CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hrr h ALA 1421N 1.38 2.29 0.00 0.00 0.00 -1.89 0.37 119.26 121.42 3hrr h ALA 1421Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3hrr h ALA 1421Cb 0.89 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3hrr h ALA 1421CO 0.06 -0.79 0.00 0.00 0.00 0.00 0.00 179.25 178.52 3hrr h ALA 1422N 1.65 1.00 -0.04 0.00 0.00 -1.84 -2.38 119.26 117.66 3hrr h ALA 1422Ca 0.67 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.58 3hrr h ALA 1422Cb 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.57 3hrr h ALA 1422CO -0.38 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.12 3hrr n THR 1423N -2.96 0.04 -2.25 0.00 -2.24 0.12 -4.86 114.28 102.13 3hrr n THR 1423Ca -0.01 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 3hrr n THR 1423Cb 0.21 0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 3hrr n THR 1423CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3hrr s THR 1424N -1.96 3.49 -0.28 4.28 2.01 -0.90 -4.92 115.64 117.36 3hrr s THR 1424Ca 0.38 1.09 0.02 0.00 0.31 0.00 0.00 61.69 63.49 3hrr s THR 1424Cb 0.20 -3.70 0.02 0.00 0.01 0.00 0.00 72.50 69.03 3hrr s THR 1424CO 0.32 0.09 0.60 0.54 -0.69 0.00 0.00 174.62 175.48 3hrr n ARG 1425N 3.77 -0.47 -3.77 4.92 3.00 -1.26 -4.89 116.66 117.96 3hrr n ARG 1425Ca 0.10 -0.69 -0.10 0.00 -0.01 0.00 0.00 57.85 57.15 3hrr n ARG 1425Cb 0.43 -1.04 -0.04 0.00 0.00 0.00 0.00 32.46 31.81 3hrr n ARG 1425CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3hrr s SER 1426N -0.24 -0.22 -0.09 0.55 1.04 -1.26 -1.07 113.70 112.41 3hrr s SER 1426Ca 0.03 -0.54 -0.09 0.00 0.48 0.00 0.00 55.95 55.82 3hrr s SER 1426Cb 0.02 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.73 3hrr s SER 1426CO 0.03 -1.04 0.26 0.00 0.98 0.00 0.00 173.24 173.47 3hrr s ALA 1427N -3.89 -0.65 0.00 5.32 0.00 -0.11 -4.77 121.76 117.66 3hrr s ALA 1427Ca 0.10 0.69 -0.26 0.00 0.00 0.00 0.00 51.96 52.50 3hrr s ALA 1427Cb -0.01 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 3hrr s ALA 1427CO -0.02 -0.13 0.79 0.15 0.00 0.00 0.00 175.76 176.55 3hrr s LYS 1428N 0.00 4.50 -0.06 0.00 -0.14 -0.54 -1.18 119.74 122.32 3hrr s LYS 1428Ca -0.01 1.09 0.05 0.00 -1.36 0.00 0.00 55.97 55.73 3hrr s LYS 1428Cb -0.02 -3.41 -0.00 0.00 -1.68 0.00 0.00 37.83 32.72 3hrr s LYS 1428CO 0.01 0.15 -0.21 0.08 -0.76 0.00 0.00 175.35 174.62 3hrr s VAL 1429N 0.41 1.76 0.04 3.17 1.01 0.26 -0.59 120.40 126.46 3hrr s VAL 1429Ca 0.41 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.57 3hrr s VAL 1429Cb -0.20 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 3hrr s VAL 1429CO 0.23 0.50 -0.18 -0.54 0.00 0.00 0.00 175.10 175.10 3hrr s LYS 1430N 0.08 1.23 -0.19 2.72 1.02 -0.27 -1.33 119.74 123.00 3hrr s LYS 1430Ca -0.08 -0.87 0.01 0.00 0.02 0.00 0.00 55.97 55.05 3hrr s LYS 1430Cb -0.14 -1.30 0.04 0.00 -0.52 0.00 0.00 37.83 35.90 3hrr s LYS 1430CO 0.04 0.33 -0.12 -0.06 -0.92 0.00 0.00 175.35 174.62 3hrr s PHE 1431N -0.80 2.49 -0.06 3.18 0.40 -0.09 -1.06 117.98 122.03 3hrr s PHE 1431Ca 0.05 -1.59 -0.05 0.00 -0.60 0.00 0.00 56.93 54.74 3hrr s PHE 1431Cb -0.08 -1.69 0.01 0.00 0.51 0.00 0.00 43.02 41.77 3hrr s PHE 1431CO 0.02 -0.75 0.16 0.00 0.70 0.00 0.00 175.22 175.34 3hrr s ALA 1432N 1.38 -0.38 0.16 5.36 0.00 -0.72 0.26 121.76 127.81 3hrr s ALA 1432Ca 0.00 0.43 -0.13 0.00 0.00 0.00 0.00 51.96 52.27 3hrr s ALA 1432Cb -0.15 -0.25 -0.07 0.00 0.00 0.00 0.00 23.12 22.65 3hrr s ALA 1432CO -0.09 -0.07 0.54 0.95 0.00 0.00 0.00 175.76 177.08 3hrr s THR 1433N 0.07 4.89 0.09 0.00 -4.23 0.34 -0.49 115.64 116.31 3hrr s THR 1433Ca -0.00 0.71 0.07 0.00 -1.18 0.00 0.00 61.69 61.29 3hrr s THR 1433Cb -0.01 -3.70 -0.03 0.00 1.34 0.00 0.00 72.50 70.10 3hrr s THR 1433CO 0.00 0.16 -0.19 -0.31 -0.54 0.00 0.00 174.62 173.74 3hrr s TYR 1434N -1.55 1.65 -0.03 3.99 2.02 0.22 -0.18 117.35 123.47 3hrr s TYR 1434Ca 0.40 -0.43 -0.01 0.00 -0.37 0.00 0.00 57.07 56.67 3hrr s TYR 1434Cb -0.14 -0.91 -0.00 0.00 -0.40 0.00 0.00 41.96 40.50 3hrr s TYR 1434CO 0.20 0.17 0.06 0.74 -1.57 0.00 0.00 175.55 175.14 3hrr h PHE 1435N 4.16 -0.02 0.00 2.71 -1.00 -1.94 -2.72 116.94 118.13 3hrr h PHE 1435Ca -0.45 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.33 3hrr h PHE 1435Cb 1.18 0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.75 3hrr h PHE 1435CO 0.61 -0.02 -0.68 0.36 -1.61 0.00 0.00 178.31 176.98 3hrr n LYS 1439N -3.07 0.16 -1.69 1.51 2.85 -1.26 -4.94 118.16 111.72 3hrr n LYS 1439Ca -0.00 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.83 3hrr n LYS 1439Cb 0.01 -0.84 -0.03 0.00 -0.65 0.00 0.00 35.03 33.52 3hrr n LYS 1439CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 3hrr n LEU 1440N -2.14 4.05 -0.01 -5.58 7.94 -1.26 -4.91 117.00 115.08 3hrr n LEU 1440Ca 0.00 0.99 -0.01 0.00 -1.11 0.00 0.00 56.01 55.88 3hrr n LEU 1440Cb 0.34 -1.55 -0.00 0.00 0.53 0.00 0.00 43.42 42.74 3hrr n LEU 1440CO 0.00 0.18 -0.07 -0.67 -1.11 0.00 0.00 177.39 175.72 3hrr n ASP 1441N 5.54 0.23 -3.83 1.96 -0.08 0.75 -4.95 116.55 116.17 3hrr n ASP 1441Ca 0.18 0.04 -0.12 0.00 -1.51 0.00 0.00 54.79 53.38 3hrr n ASP 1441Cb 0.37 -0.41 -0.09 0.00 2.34 0.00 0.00 41.12 43.33 3hrr n ASP 1441CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 3hrr s THR 1442N -1.22 0.07 -0.30 5.18 2.01 -1.11 -4.99 115.64 115.28 3hrr s THR 1442Ca -0.03 -0.60 -0.16 0.00 0.31 0.00 0.00 61.69 61.21 3hrr s THR 1442Cb 0.00 -0.50 -0.02 0.00 0.01 0.00 0.00 72.50 71.99 3hrr s THR 1442CO 0.04 -0.33 0.42 -1.61 -0.69 0.00 0.00 174.62 172.46 3hrr s GLU 1443N -1.34 3.85 -0.21 4.92 2.02 -1.26 -0.51 118.70 126.16 3hrr s GLU 1443Ca -0.14 -0.05 -0.07 0.00 0.02 0.00 0.00 54.97 54.73 3hrr s GLU 1443Cb -0.07 -3.72 -0.19 0.00 0.10 0.00 0.00 34.13 30.25 3hrr s GLU 1443CO 0.03 -0.42 -0.01 0.72 0.02 0.00 0.00 175.26 175.60 3hrr n HIS 1444N 5.47 0.53 -3.75 1.61 8.25 0.14 -4.32 115.22 123.15 3hrr n HIS 1444Ca -0.07 0.15 -0.07 0.00 -0.26 0.00 0.00 57.72 57.46 3hrr n HIS 1444Cb 0.50 -1.06 -0.02 0.00 1.12 0.00 0.00 29.99 30.53 3hrr n HIS 1444CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hrr s ALA 1445N -2.51 -1.39 0.10 -1.41 0.00 -1.12 -0.24 121.76 115.20 3hrr s ALA 1445Ca -0.31 -0.03 -0.17 0.00 0.00 0.00 0.00 51.96 51.44 3hrr s ALA 1445Cb 0.09 0.80 0.04 0.00 0.00 0.00 0.00 23.12 24.05 3hrr s ALA 1445CO 0.63 -0.98 0.42 -1.54 0.00 0.00 0.00 175.76 174.29 3hrr s SER 1446N -2.87 -0.27 0.28 0.00 1.04 -0.79 -0.91 113.70 110.18 3hrr s SER 1446Ca 0.09 -0.20 -0.17 0.00 0.48 0.00 0.00 55.95 56.16 3hrr s SER 1446Cb -0.04 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.56 3hrr s SER 1446CO 0.02 -0.80 0.63 0.00 0.98 0.00 0.00 173.24 174.07 3hrr s THR 1448N -3.77 2.31 0.20 0.00 2.01 0.31 -0.57 115.64 116.13 3hrr s THR 1448Ca 0.16 -1.25 -0.29 0.00 0.31 0.00 0.00 61.69 60.62 3hrr s THR 1448Cb -0.04 -2.19 -0.08 0.00 0.01 0.00 0.00 72.50 70.20 3hrr s THR 1448CO 0.09 0.21 0.92 0.68 -0.69 0.00 0.00 174.62 175.83 3hrr s VAL 1449N 1.22 4.22 -0.03 3.82 -7.23 -0.33 -1.09 120.40 120.98 3hrr s VAL 1449Ca -0.02 2.02 0.06 0.00 -1.81 0.00 0.00 61.98 62.23 3hrr s VAL 1449Cb -0.17 -4.30 -0.01 0.00 0.56 0.00 0.00 36.38 32.46 3hrr s VAL 1449CO -0.07 0.46 -0.21 -0.13 -0.31 0.00 0.00 175.10 174.83 3hrr s ARG 1450N -0.89 1.96 -0.58 4.82 0.52 -0.00 -0.94 118.95 123.84 3hrr s ARG 1450Ca 0.41 -0.76 -0.17 0.00 -0.52 0.00 0.00 55.73 54.69 3hrr s ARG 1450Cb -0.25 -1.78 0.12 0.00 0.52 0.00 0.00 34.95 33.56 3hrr s ARG 1450CO 0.30 0.39 0.61 -0.06 0.02 0.00 0.00 175.30 176.56 3hrr s PHE 1451N -0.28 3.14 0.40 -0.53 0.08 -0.23 -0.07 117.98 120.49 3hrr s PHE 1451Ca 0.02 -1.15 0.08 0.00 0.12 0.00 0.00 56.93 56.00 3hrr s PHE 1451Cb -0.11 -3.91 -0.03 0.00 -0.57 0.00 0.00 43.02 38.40 3hrr s PHE 1451CO 0.01 -1.16 0.28 -0.08 -0.10 0.00 0.00 175.22 174.18 3hrr s THR 1452N 2.10 2.65 0.81 0.64 -1.32 -0.54 -4.86 115.64 115.13 3hrr s THR 1452Ca 0.08 -1.50 -0.11 0.00 -1.21 0.00 0.00 61.69 58.95 3hrr s THR 1452Cb -0.27 -3.01 0.11 0.00 -1.51 0.00 0.00 72.50 67.82 3hrr s THR 1452CO 0.04 -0.03 1.16 -0.94 -2.21 0.00 0.00 174.62 172.64 3hrr s SER 1453N -4.02 4.20 -0.01 8.08 1.04 -1.26 -4.15 113.70 117.59 3hrr s SER 1453Ca 0.44 0.46 0.20 0.00 0.48 0.00 0.00 55.95 57.54 3hrr s SER 1453Cb -0.01 -0.87 0.61 0.00 0.10 0.00 0.00 66.02 65.85 3hrr s SER 1453CO 0.26 -2.04 1.51 -0.90 0.98 0.00 0.00 173.24 173.04 3hrr n ASP 1454N -3.29 3.75 -0.23 7.02 5.75 -1.26 -4.46 116.55 123.83 3hrr n ASP 1454Ca 0.10 -2.06 -0.03 0.00 -0.01 0.00 0.00 54.79 52.79 3hrr n ASP 1454Cb 0.60 -0.47 0.07 0.00 -1.03 0.00 0.00 41.12 40.30 3hrr n ASP 1454CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hrr h ALA 1455N 4.22 0.86 -0.13 2.12 0.00 -1.99 0.98 119.26 125.32 3hrr h ALA 1455Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hrr h ALA 1455Cb 0.97 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3hrr h ALA 1455CO 0.03 0.15 0.08 0.37 0.00 0.00 0.00 179.25 179.87 3hrr h GLN 1456N 0.78 0.18 -0.62 0.00 4.15 -2.00 -0.85 115.11 116.76 3hrr h GLN 1456Ca 0.27 -0.02 0.13 0.00 0.77 0.00 0.00 58.65 59.80 3hrr h GLN 1456Cb 0.05 -0.04 -0.10 0.00 0.21 0.00 0.00 27.48 27.61 3hrr h GLN 1456CO -0.12 0.19 0.07 1.25 -1.93 0.00 0.00 178.83 178.30 3hrr h LEU 1457N 0.13 -0.13 -0.93 -2.39 5.85 -1.70 0.12 115.31 116.26 3hrr h LEU 1457Ca 0.05 0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 3hrr h LEU 1457Cb 0.06 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3hrr h LEU 1457CO -0.01 -0.06 0.29 0.11 -0.34 0.00 0.00 178.44 178.43 3hrr h LYS 1458N 0.19 1.06 -0.33 1.25 1.57 -0.42 -1.18 116.57 118.71 3hrr h LYS 1458Ca 0.33 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 3hrr h LYS 1458Cb 0.53 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3hrr h LYS 1458CO -0.48 0.86 0.10 1.03 -0.57 0.00 0.00 179.45 180.39 3hrr h SER 1459N 1.04 0.49 -1.00 0.86 0.87 -0.21 -2.88 113.55 112.72 3hrr h SER 1459Ca 0.24 -0.21 0.02 0.00 -1.23 0.00 0.00 61.79 60.61 3hrr h SER 1459Cb 0.20 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 61.98 3hrr h SER 1459CO -0.02 0.57 0.66 -0.07 -0.53 0.00 0.00 176.83 177.44 3hrr h LEU 1460N 0.38 1.13 -1.51 2.23 3.38 -0.36 -2.11 115.31 118.45 3hrr h LEU 1460Ca 0.11 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3hrr h LEU 1460Cb 0.26 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3hrr h LEU 1460CO -0.00 0.81 0.23 0.03 0.09 0.00 0.00 178.44 179.60 3hrr h ARG 1461N 1.34 0.56 0.00 1.13 3.08 -1.13 -1.22 114.38 118.13 3hrr h ARG 1461Ca 0.37 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.31 3hrr h ARG 1461Cb -0.13 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 3hrr h ARG 1461CO -0.09 0.41 -0.31 0.00 -1.07 0.00 0.00 179.97 178.92 3hrr h ARG 1462N 0.57 0.00 -0.01 0.04 3.08 -1.18 -3.02 114.38 113.87 3hrr h ARG 1462Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3hrr h ARG 1462Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3hrr h ARG 1462CO -0.03 0.31 -0.09 0.43 -1.07 0.00 0.00 179.97 179.52 3hrr n SER 1463N -3.44 1.50 -0.13 7.04 7.64 -0.52 -4.55 113.62 121.17 3hrr n SER 1463Ca 0.00 -1.37 -0.07 0.00 1.01 0.00 0.00 58.87 58.45 3hrr n SER 1463Cb 0.49 0.05 -0.00 0.00 -1.01 0.00 0.00 64.21 63.74 3hrr n SER 1463CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3hrr h VAL 1464N 2.22 0.27 -0.58 0.44 2.07 -1.27 -0.34 116.25 119.05 3hrr h VAL 1464Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3hrr h VAL 1464Cb 0.55 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3hrr h VAL 1464CO 0.00 0.00 0.38 0.77 0.02 0.00 0.00 177.57 178.74 3hrr h SER 1465N -0.21 0.53 -0.11 0.57 4.64 -1.84 0.19 113.55 117.32 3hrr h SER 1465Ca 0.19 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.46 3hrr h SER 1465Cb 0.52 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3hrr h SER 1465CO -0.54 0.36 -0.09 -0.08 -0.87 0.00 0.00 176.83 175.61 3hrr h GLU 1466N 0.61 0.26 -0.65 4.77 4.81 -1.43 -1.39 114.58 121.57 3hrr h GLU 1466Ca 0.24 -0.13 0.04 0.00 -0.13 0.00 0.00 59.36 59.38 3hrr h GLU 1466Cb 0.19 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 3hrr h GLU 1466CO -0.07 0.65 0.39 1.88 -0.73 0.00 0.00 179.01 181.13 3hrr h TYR 1467N -0.13 0.72 -0.29 0.92 0.05 0.12 -2.06 116.97 116.30 3hrr h TYR 1467Ca 0.02 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.80 3hrr h TYR 1467Cb 0.59 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 38.09 3hrr h TYR 1467CO 0.08 0.38 0.07 0.87 -1.05 0.00 0.00 178.16 178.51 3hrr h LYS 1468N 0.74 0.41 -0.30 4.88 1.79 -0.60 -1.47 116.57 122.03 3hrr h LYS 1468Ca 0.27 -0.06 -0.17 0.00 -2.18 0.00 0.00 60.65 58.52 3hrr h LYS 1468Cb 0.09 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 30.66 3hrr h LYS 1468CO -0.13 0.38 -0.46 1.15 -1.08 0.00 0.00 179.45 179.30 3hrr h THR 1469N 0.41 1.28 -0.76 -0.16 2.02 -0.73 -0.39 112.91 114.58 3hrr h THR 1469Ca 0.10 -1.65 0.00 0.00 0.77 0.00 0.00 66.41 65.63 3hrr h THR 1469Cb 0.16 1.61 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 3hrr h THR 1469CO -0.00 0.54 0.49 0.45 0.37 0.00 0.00 175.52 177.36 3hrr h HIS 1470N 0.61 0.97 -0.05 3.16 3.86 -0.78 -0.16 115.15 122.77 3hrr h HIS 1470Ca 0.03 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 3hrr h HIS 1470Cb 1.07 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 29.21 3hrr h HIS 1470CO 0.07 0.63 0.02 0.82 0.86 0.00 0.00 177.93 180.33 3hrr h ILE 1471N 1.04 1.12 -0.82 2.45 2.04 -1.06 -1.65 117.51 120.62 3hrr h ILE 1471Ca 0.28 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 3hrr h ILE 1471Cb -0.09 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 3hrr h ILE 1471CO -0.06 0.10 0.49 -0.09 0.00 0.00 0.00 178.15 178.59 3hrr h ARG 1472N -0.06 1.10 -0.10 2.37 2.43 -0.90 -1.83 114.38 117.39 3hrr h ARG 1472Ca 0.02 -0.09 -0.07 0.00 -0.81 0.00 0.00 59.98 59.02 3hrr h ARG 1472Cb 0.14 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3hrr h ARG 1472CO -0.00 0.77 -0.25 1.96 -1.51 0.00 0.00 179.97 180.94 3hrr h GLN 1473N 1.12 0.16 -0.25 0.20 4.20 -0.75 -0.39 115.11 119.40 3hrr h GLN 1473Ca 0.29 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.86 3hrr h GLN 1473Cb -0.05 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 3hrr h GLN 1473CO -0.06 0.41 -0.20 -0.07 -0.67 0.00 0.00 178.83 178.24 3hrr h LEU 1474N 0.15 0.60 -0.86 1.46 3.38 -0.53 -1.86 115.31 117.65 3hrr h LEU 1474Ca 0.03 -0.45 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 3hrr h LEU 1474Cb 0.52 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3hrr h LEU 1474CO 0.04 0.93 0.17 0.45 0.09 0.00 0.00 178.44 180.11 3hrr h HIS 1475N 0.28 1.05 -0.36 1.13 3.86 -1.10 -1.66 115.15 118.34 3hrr h HIS 1475Ca 0.05 -0.11 0.01 0.00 -1.16 0.00 0.00 60.37 59.16 3hrr h HIS 1475Cb 0.74 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 3hrr h HIS 1475CO 0.07 0.85 0.23 -0.44 0.86 0.00 0.00 177.93 179.50 3hrr h ASP 1476N 0.96 0.38 -0.60 2.45 3.32 -1.04 -0.49 116.42 121.41 3hrr h ASP 1476Ca 0.21 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 3hrr h ASP 1476Cb 0.33 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 3hrr h ASP 1476CO -0.00 0.27 0.23 1.23 -1.72 0.00 0.00 179.24 179.25 3hrr h GLY 1477N 0.46 0.97 0.99 2.75 0.00 -1.11 -2.49 103.07 104.63 3hrr h GLY 1477Ca 0.14 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 3hrr h GLY 1477CO -0.05 0.51 0.28 0.84 0.00 0.00 0.00 176.54 178.11 3hrr h HIS 1478N 0.83 0.87 0.00 5.60 -0.00 -1.02 0.77 115.15 122.20 3hrr h HIS 1478Ca 0.20 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.52 3hrr h HIS 1478Cb 0.22 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.37 3hrr h HIS 1478CO 0.01 0.67 0.00 0.00 -0.00 0.00 0.00 177.93 178.61 3hrr n ALA 1479N -2.34 1.14 -0.05 5.26 0.00 -0.22 -1.26 120.51 123.03 3hrr n ALA 1479Ca 0.04 0.15 0.09 0.00 0.00 0.00 0.00 53.44 53.72 3hrr n ALA 1479Cb 0.13 -1.28 0.21 0.00 0.00 0.00 0.00 19.45 18.51 3hrr n ALA 1479CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hrr n LYS 1480N -2.13 2.50 -1.03 0.00 5.02 -0.73 -4.98 118.16 116.82 3hrr n LYS 1480Ca -0.01 -2.21 -0.01 0.00 -2.02 0.00 0.00 58.31 54.07 3hrr n LYS 1480Cb 0.06 -1.41 -0.00 0.00 -0.02 0.00 0.00 35.03 33.65 3hrr n LYS 1480CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hrr n GLY 1481N 1.11 0.47 0.09 0.72 0.00 -0.39 -4.96 105.19 102.23 3hrr n GLY 1481Ca 0.17 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 3hrr n GLY 1481CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hrr n GLN 1482N -2.93 0.65 -4.27 1.61 6.02 0.19 -4.96 117.38 113.68 3hrr n GLN 1482Ca -0.01 0.23 -0.21 0.00 -0.01 0.00 0.00 57.00 57.01 3hrr n GLN 1482Cb 0.04 -1.73 -0.13 0.00 1.02 0.00 0.00 30.24 29.44 3hrr n GLN 1482CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3hrr s PHE 1483N -2.57 1.41 0.31 1.08 0.08 -1.24 -4.94 117.98 112.11 3hrr s PHE 1483Ca -0.07 -0.42 -0.28 0.00 0.12 0.00 0.00 56.93 56.27 3hrr s PHE 1483Cb 0.08 -0.80 -0.10 0.00 -0.57 0.00 0.00 43.02 41.63 3hrr s PHE 1483CO 0.82 0.09 1.14 -1.64 -0.10 0.00 0.00 175.22 175.53 3hrr s MET 1484N -1.62 4.50 -0.17 0.44 -1.94 -1.10 -4.40 119.30 115.00 3hrr s MET 1484Ca 0.02 1.86 0.01 0.00 -1.71 0.00 0.00 55.69 55.86 3hrr s MET 1484Cb -0.09 -3.07 0.02 0.00 2.01 0.00 0.00 34.83 33.70 3hrr s MET 1484CO 0.03 0.06 -0.17 0.50 -0.01 0.00 0.00 175.02 175.43 3hrr s ARG 1485N -1.67 2.65 -0.27 2.03 3.52 -1.26 -0.99 118.95 122.97 3hrr s ARG 1485Ca 0.47 -0.72 -0.11 0.00 -0.13 0.00 0.00 55.73 55.24 3hrr s ARG 1485Cb -0.32 -2.37 -0.05 0.00 -1.56 0.00 0.00 34.95 30.64 3hrr s ARG 1485CO 0.42 -0.23 0.18 0.71 -0.81 0.00 0.00 175.30 175.57 3hrr s TYR 1486N 1.37 3.24 0.66 5.12 2.02 0.25 -4.94 117.35 125.08 3hrr s TYR 1486Ca 0.05 0.14 -0.17 0.00 -0.37 0.00 0.00 57.07 56.72 3hrr s TYR 1486Cb -0.13 -2.35 -0.00 0.00 -0.40 0.00 0.00 41.96 39.08 3hrr s TYR 1486CO -0.12 -0.10 1.20 -0.80 -1.57 0.00 0.00 175.55 174.16 3hrr s ASN 1487N 1.58 4.75 0.08 2.29 0.01 -1.26 -1.59 114.94 120.80 3hrr s ASN 1487Ca 0.07 2.35 -0.15 0.00 -0.71 0.00 0.00 52.86 54.41 3hrr s ASN 1487Cb -0.15 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 38.88 3hrr s ASN 1487CO 0.09 -1.89 1.16 -1.14 -1.51 0.00 0.00 177.10 173.81 3hrr n ARG 1488N -2.15 -0.22 -0.06 -0.60 0.63 -0.47 -0.95 116.66 112.84 3hrr n ARG 1488Ca 0.13 1.14 -0.01 0.00 -0.92 0.00 0.00 57.85 58.20 3hrr n ARG 1488Cb 0.50 -1.69 0.27 0.00 0.45 0.00 0.00 32.46 31.99 3hrr n ARG 1488CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3hrr h LYS 1489N 0.00 0.66 -0.38 -0.14 1.57 -1.89 -1.99 116.57 114.40 3hrr h LYS 1489Ca 0.08 -0.12 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 3hrr h LYS 1489Cb 0.20 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3hrr h LYS 1489CO -0.46 0.60 -0.26 1.15 -0.57 0.00 0.00 179.45 179.91 3hrr h THR 1490N 0.64 1.28 -0.26 -0.16 2.02 -1.84 -0.11 112.91 114.47 3hrr h THR 1490Ca 0.15 -1.42 0.05 0.00 0.77 0.00 0.00 66.41 65.96 3hrr h THR 1490Cb 0.25 1.36 -0.05 0.00 -1.74 0.00 0.00 68.15 67.97 3hrr h THR 1490CO -0.00 0.47 -0.06 1.23 0.37 0.00 0.00 175.52 177.53 3hrr h GLY 1491N 0.65 0.20 1.82 2.16 0.00 -0.54 -0.31 103.07 107.04 3hrr h GLY 1491Ca 0.07 0.08 -0.08 0.00 0.00 0.00 0.00 47.33 47.41 3hrr h GLY 1491CO 0.07 -0.10 -0.28 -0.97 0.00 0.00 0.00 176.54 175.26 3hrr h TYR 1492N 0.01 0.24 -0.46 5.60 0.05 -1.27 -2.27 116.97 118.86 3hrr h TYR 1492Ca 0.13 -0.05 -0.04 0.00 0.05 0.00 0.00 58.73 58.82 3hrr h TYR 1492Cb 0.19 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.85 3hrr h TYR 1492CO -0.26 0.49 0.14 -0.22 -1.05 0.00 0.00 178.16 177.26 3hrr h LYS 1493N 0.20 0.72 -0.94 4.88 3.64 -0.64 -1.28 116.57 123.14 3hrr h LYS 1493Ca 0.03 -0.16 0.12 0.00 -1.27 0.00 0.00 60.65 59.37 3hrr h LYS 1493Cb 0.61 -0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.25 3hrr h LYS 1493CO 0.04 0.70 0.60 1.25 -2.27 0.00 0.00 179.45 179.77 3hrr h LEU 1494N 0.61 0.81 0.00 5.20 5.85 -0.51 -2.04 115.31 125.23 3hrr h LEU 1494Ca 0.15 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3hrr h LEU 1494Cb 0.28 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3hrr h LEU 1494CO -0.00 0.44 -0.31 0.23 -0.34 0.00 0.00 178.44 178.46 3hrr n MET 1495N -4.58 0.07 0.29 1.25 2.81 -0.94 -4.53 117.12 111.49 3hrr n MET 1495Ca 0.18 0.03 0.16 0.00 -1.81 0.00 0.00 57.70 56.26 3hrr n MET 1495Cb 0.38 -1.56 0.85 0.00 -0.71 0.00 0.00 33.22 32.19 3hrr n MET 1495CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3hrr h SER 1496N 0.00 0.00 1.40 7.83 4.64 -0.47 -0.04 113.55 126.91 3hrr h SER 1496Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3hrr h SER 1496Cb 0.56 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3hrr h SER 1496CO 0.00 0.06 -0.12 0.77 -0.87 0.00 0.00 176.83 176.67 3hrr h SER 1497N 0.00 0.00 0.00 4.97 4.64 -1.80 -3.34 113.55 118.03 3hrr h SER 1497Ca -0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 3hrr h SER 1497Cb 0.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 3hrr h SER 1497CO 0.01 0.12 -0.74 -0.03 -0.87 0.00 0.00 176.83 175.32 3hrr h MET 1498N 0.00 0.00 -3.04 4.77 -1.53 -1.37 -3.48 114.93 110.29 3hrr h MET 1498Ca -0.00 0.00 -0.12 0.00 -3.44 0.00 0.00 59.70 56.14 3hrr h MET 1498Cb 0.85 0.00 -0.21 0.00 -0.55 0.00 0.00 31.60 31.69 3hrr h MET 1498CO 0.02 0.72 -0.29 0.00 0.14 0.00 0.00 176.91 177.49 3hrr s ALA 1499N -2.42 -0.77 0.28 0.39 0.00 -0.53 -4.59 121.76 114.12 3hrr s ALA 1499Ca -0.21 0.40 0.08 0.00 0.00 0.00 0.00 51.96 52.22 3hrr s ALA 1499Cb 0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 3hrr s ALA 1499CO 0.49 -0.24 0.15 1.03 0.00 0.00 0.00 175.76 177.19 3hrr s ARG 1500N -1.09 2.67 -0.04 0.00 0.52 -0.06 -3.81 118.95 117.14 3hrr s ARG 1500Ca -0.11 -1.24 0.05 0.00 -0.52 0.00 0.00 55.73 53.91 3hrr s ARG 1500Cb -0.05 -2.40 -0.01 0.00 0.52 0.00 0.00 34.95 33.01 3hrr s ARG 1500CO 0.04 0.31 -0.20 -0.06 0.02 0.00 0.00 175.30 175.41 3hrr s PHE 1501N -2.24 1.92 0.04 -0.53 0.08 -1.26 -0.19 117.98 115.79 3hrr s PHE 1501Ca 0.34 -0.52 -0.38 0.00 0.12 0.00 0.00 56.93 56.49 3hrr s PHE 1501Cb -0.07 -1.27 -0.19 0.00 -0.57 0.00 0.00 43.02 40.93 3hrr s PHE 1501CO 0.24 -0.15 1.17 -1.71 -0.10 0.00 0.00 175.22 174.67 3hrr n ASN 1502N 2.99 0.68 -0.10 1.36 2.85 -0.70 -4.84 115.26 117.50 3hrr n ASN 1502Ca -0.17 1.14 0.24 0.00 -0.11 0.00 0.00 54.58 55.68 3hrr n ASN 1502Cb 0.53 -1.04 0.70 0.00 1.24 0.00 0.00 39.78 41.21 3hrr n ASN 1502CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3hrr h PRO 1503N 3.61 0.01 0.00 1.20 0.11 -1.94 0.23 132.00 135.22 3hrr h PRO 1503Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3hrr h PRO 1503Cb 1.39 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.50 3hrr h PRO 1503CO 0.70 0.01 0.00 -0.44 -0.21 0.00 0.00 178.00 178.06 3hrr h ASP 1504N 0.01 0.00 0.06 -2.05 3.32 -1.88 -1.72 116.42 114.17 3hrr h ASP 1504Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 3hrr h ASP 1504Cb 1.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.92 3hrr h ASP 1504CO -0.01 0.00 -0.45 -1.22 -1.72 0.00 0.00 179.24 175.85 3hrr n TYR 1505N -2.48 0.00 -2.33 4.55 4.02 0.80 -4.63 117.16 117.09 3hrr n TYR 1505Ca 0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.48 3hrr n TYR 1505Cb 0.24 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 3hrr n TYR 1505CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 3hrr n MET 1506N -0.30 3.35 0.00 -0.72 2.81 -0.65 -4.60 117.12 117.00 3hrr n MET 1506Ca 0.10 -3.34 0.05 0.00 -1.81 0.00 0.00 57.70 52.69 3hrr n MET 1506Cb 0.43 -3.09 0.04 0.00 -0.71 0.00 0.00 33.22 29.88 3hrr n MET 1506CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3hrr n LEU 1507N 5.19 1.74 -4.58 4.03 4.77 -1.26 -4.80 117.00 122.09 3hrr n LEU 1507Ca 0.43 -0.98 -0.42 0.00 -0.03 0.00 0.00 56.01 55.00 3hrr n LEU 1507Cb 0.39 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 3hrr n LEU 1507CO 0.80 0.34 1.04 -0.76 -1.33 0.00 0.00 177.39 177.47 3hrr s LEU 1508N -0.84 3.56 -0.01 2.23 1.02 -1.26 -0.87 118.68 122.50 3hrr s LEU 1508Ca 0.11 0.15 -0.20 0.00 0.02 0.00 0.00 54.13 54.21 3hrr s LEU 1508Cb 0.08 -3.23 -0.27 0.00 0.02 0.00 0.00 46.19 42.79 3hrr s LEU 1508CO 0.13 -1.40 1.02 -0.78 0.02 0.00 0.00 176.35 175.34 3hrr h ASP 1509N 9.44 0.52 -5.08 2.29 3.58 -1.16 -3.35 116.42 122.67 3hrr h ASP 1509Ca -0.25 -0.83 -0.06 0.00 0.42 0.00 0.00 57.03 56.31 3hrr h ASP 1509Cb 1.06 -0.16 -0.14 0.00 1.72 0.00 0.00 39.33 41.81 3hrr h ASP 1509CO 1.16 1.30 -0.13 -0.72 -2.88 0.00 0.00 179.24 177.97 3hrr s TYR 1510N -2.91 -0.16 -0.13 0.28 1.13 -1.17 -1.37 117.35 113.02 3hrr s TYR 1510Ca -0.13 -0.11 -0.06 0.00 -1.41 0.00 0.00 57.07 55.35 3hrr s TYR 1510Cb 0.03 0.20 0.05 0.00 -1.10 0.00 0.00 41.96 41.14 3hrr s TYR 1510CO 0.83 -0.64 0.30 -1.17 -2.51 0.00 0.00 175.55 172.36 3hrr s LEU 1511N -2.63 0.14 -0.21 -3.49 0.20 -0.62 -1.93 118.68 110.14 3hrr s LEU 1511Ca 0.01 0.66 -0.08 0.00 0.69 0.00 0.00 54.13 55.41 3hrr s LEU 1511Cb 0.02 0.94 -0.04 0.00 -0.43 0.00 0.00 46.19 46.68 3hrr s LEU 1511CO -0.10 -0.18 0.09 -0.69 -0.29 0.00 0.00 176.35 175.18 3hrr s VAL 1512N 1.48 4.80 -0.16 1.68 1.01 0.44 -0.58 120.40 129.07 3hrr s VAL 1512Ca -0.08 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.89 3hrr s VAL 1512Cb -0.10 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.09 3hrr s VAL 1512CO -0.10 0.40 -0.20 -0.22 0.00 0.00 0.00 175.10 174.98 3hrr s LEU 1513N 0.86 2.05 -0.61 3.92 2.96 -0.16 -1.60 118.68 126.12 3hrr s LEU 1513Ca 0.05 -0.61 -0.18 0.00 -0.22 0.00 0.00 54.13 53.17 3hrr s LEU 1513Cb -0.13 -1.42 0.12 0.00 0.50 0.00 0.00 46.19 45.26 3hrr s LEU 1513CO 0.03 0.02 0.66 0.21 -1.32 0.00 0.00 176.35 175.94 3hrr s ASN 1514N 1.16 6.25 0.35 3.68 2.47 0.27 -2.73 114.94 126.38 3hrr s ASN 1514Ca 0.01 -1.68 0.06 0.00 0.42 0.00 0.00 52.86 51.67 3hrr s ASN 1514Cb -0.14 -2.27 0.64 0.00 -1.45 0.00 0.00 41.25 38.04 3hrr s ASN 1514CO -0.09 -0.98 1.87 -0.33 -3.72 0.00 0.00 177.10 173.84 3hrr h GLU 1515N 8.96 0.40 -0.37 0.43 5.08 -1.93 -2.04 114.58 125.11 3hrr h GLU 1515Ca -0.25 -0.10 0.11 0.00 -1.00 0.00 0.00 59.36 58.12 3hrr h GLU 1515Cb 1.09 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 3hrr h GLU 1515CO 1.05 0.50 0.27 0.00 -1.00 0.00 0.00 179.01 179.84 3hrr h ALA 1516N 1.53 2.32 0.00 3.43 0.00 -1.96 -2.41 119.26 122.18 3hrr h ALA 1516Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hrr h ALA 1516Cb 0.40 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3hrr h ALA 1516CO 0.02 -0.46 -0.03 0.39 0.00 0.00 0.00 179.25 179.17 3hrr n GLU 1517N -4.37 1.97 -4.02 0.00 -0.58 -0.98 -4.99 120.64 107.66 3hrr n GLU 1517Ca 0.06 -1.74 -0.27 0.00 -0.42 0.00 0.00 57.16 54.78 3hrr n GLU 1517Cb 0.45 -1.09 -0.03 0.00 -0.57 0.00 0.00 31.44 30.20 3hrr n GLU 1517CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3hrr n ASN 1518N -0.74 -0.66 -4.18 1.62 3.02 -0.85 -2.56 115.26 110.91 3hrr n ASN 1518Ca 0.05 -1.03 -0.32 0.00 -0.03 0.00 0.00 54.58 53.25 3hrr n ASN 1518Cb 0.43 -2.89 -0.17 0.00 -0.61 0.00 0.00 39.78 36.54 3hrr n ASN 1518CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3hrr s GLU 1519N -6.68 3.00 0.02 3.52 2.12 -0.83 -1.35 118.70 118.50 3hrr s GLU 1519Ca 0.11 -0.85 0.02 0.00 0.36 0.00 0.00 54.97 54.61 3hrr s GLU 1519Cb -0.06 -2.38 -0.01 0.00 0.26 0.00 0.00 34.13 31.93 3hrr s GLU 1519CO 0.90 0.03 -0.07 0.00 -0.54 0.00 0.00 175.26 175.58 3hrr s ALA 1520N 0.70 0.58 -0.09 6.30 0.00 0.21 -0.57 121.76 128.89 3hrr s ALA 1520Ca -0.10 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.36 3hrr s ALA 1520Cb -0.16 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 22.91 3hrr s ALA 1520CO 0.01 0.07 -0.18 0.00 0.00 0.00 0.00 175.76 175.65 3hrr s ALA 1521N -0.74 1.76 0.01 0.00 0.00 -0.62 -1.47 121.76 120.69 3hrr s ALA 1521Ca -0.03 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.22 3hrr s ALA 1521Cb -0.06 -0.73 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 3hrr s ALA 1521CO 0.00 0.15 -0.08 0.45 0.00 0.00 0.00 175.76 176.29 3hrr s SER 1522N 0.59 0.91 -0.21 0.00 0.15 -0.18 -0.42 113.70 114.54 3hrr s SER 1522Ca -0.15 -0.23 -0.17 0.00 0.70 0.00 0.00 55.95 56.10 3hrr s SER 1522Cb -0.17 -0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.04 3hrr s SER 1522CO 0.05 0.03 0.47 -0.83 1.20 0.00 0.00 173.24 174.16 3hrr s GLY 1523N -0.48 2.04 -0.17 9.45 0.00 -0.81 -0.82 107.32 116.52 3hrr s GLY 1523Ca 0.01 -0.49 -0.05 0.00 0.00 0.00 0.00 44.72 44.18 3hrr s GLY 1523CO -0.00 1.00 -0.00 -1.34 0.00 0.00 0.00 173.10 172.76 3hrr s VAL 1524N 1.63 4.13 -0.33 1.40 -7.23 0.14 -0.54 120.40 119.60 3hrr s VAL 1524Ca 0.21 -0.26 0.03 0.00 -1.81 0.00 0.00 61.98 60.15 3hrr s VAL 1524Cb -0.15 -2.84 0.10 0.00 0.56 0.00 0.00 36.38 34.05 3hrr s VAL 1524CO 0.09 0.47 0.06 -0.62 -0.31 0.00 0.00 175.10 174.78 3hrr s ASP 1525N 0.54 4.60 0.26 4.85 -1.08 -0.05 0.50 116.67 126.28 3hrr s ASP 1525Ca -0.01 -2.03 0.22 0.00 -0.52 0.00 0.00 52.55 50.21 3hrr s ASP 1525Cb -0.14 -1.46 1.00 0.00 -1.46 0.00 0.00 42.92 40.86 3hrr s ASP 1525CO 0.02 -0.38 1.66 0.49 0.52 0.00 0.00 175.17 177.48 3hrr n PHE 1526N 4.39 0.73 0.48 -5.34 3.72 -0.41 -1.74 117.46 119.29 3hrr n PHE 1526Ca 0.02 0.32 0.10 0.00 -0.05 0.00 0.00 57.45 57.84 3hrr n PHE 1526Cb 0.42 -1.01 0.43 0.00 -0.94 0.00 0.00 39.48 38.38 3hrr n PHE 1526CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3hrr n SER 1527N -2.19 0.41 0.00 4.37 3.41 -1.07 -3.07 113.62 115.48 3hrr n SER 1527Ca 0.01 0.59 0.10 0.00 -0.26 0.00 0.00 58.87 59.32 3hrr n SER 1527Cb 0.16 -0.68 0.48 0.00 -0.26 0.00 0.00 64.21 63.91 3hrr n SER 1527CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hrr n LEU 1528N -1.95 0.00 -4.49 1.04 4.77 -0.71 -4.83 117.00 110.84 3hrr n LEU 1528Ca 0.03 0.43 -0.25 0.00 -0.03 0.00 0.00 56.01 56.19 3hrr n LEU 1528Cb 0.23 -0.43 -0.08 0.00 -2.33 0.00 0.00 43.42 40.81 3hrr n LEU 1528CO 0.19 -0.12 -0.20 -0.83 -1.33 0.00 0.00 177.39 175.10 3hrr s GLY 1529N -2.86 2.52 -0.12 -0.72 0.00 -1.17 -4.91 107.32 100.05 3hrr s GLY 1529Ca 0.14 -1.36 -0.03 0.00 0.00 0.00 0.00 44.72 43.47 3hrr s GLY 1529CO 0.37 -1.81 -0.01 -0.45 0.00 0.00 0.00 173.10 171.19 3hrr s SER 1530N -3.58 5.07 -0.38 1.64 0.15 -1.26 -5.04 113.70 110.31 3hrr s SER 1530Ca 0.26 0.02 0.12 0.00 0.70 0.00 0.00 55.95 57.06 3hrr s SER 1530Cb 0.03 -1.62 0.37 0.00 -1.71 0.00 0.00 66.02 63.10 3hrr s SER 1530CO 0.15 0.28 0.80 -1.54 1.20 0.00 0.00 173.24 174.13 3hrr n SER 1531N 2.82 1.36 -4.74 5.45 3.41 -1.26 -4.84 113.62 115.83 3hrr n SER 1531Ca -0.18 -3.02 -0.41 0.00 -0.26 0.00 0.00 58.87 55.00 3hrr n SER 1531Cb 0.53 -0.59 -0.04 0.00 -0.26 0.00 0.00 64.21 63.84 3hrr n SER 1531CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3hrr s GLU 1532N -2.69 4.66 0.00 4.33 0.41 -1.26 -4.89 118.70 119.26 3hrr s GLU 1532Ca 0.38 1.59 0.00 0.00 -0.41 0.00 0.00 54.97 56.54 3hrr s GLU 1532Cb 0.37 -3.32 0.00 0.00 -1.78 0.00 0.00 34.13 29.40 3hrr s GLU 1532CO -0.06 0.17 0.00 0.41 -0.49 0.00 0.00 175.26 175.29 3hrr n GLY 1533N 2.08 0.82 3.17 -1.39 0.00 -1.26 -5.06 105.19 103.55 3hrr n GLY 1533Ca 0.02 -1.85 -0.24 0.00 0.00 0.00 0.00 46.02 43.95 3hrr n GLY 1533CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hrr s THR 1534N -2.27 1.38 0.16 2.61 -4.23 -1.26 -4.98 115.64 107.05 3hrr s THR 1534Ca 0.00 -0.80 -0.14 0.00 -1.18 0.00 0.00 61.69 59.56 3hrr s THR 1534Cb 0.00 -1.16 0.02 0.00 1.34 0.00 0.00 72.50 72.70 3hrr s THR 1534CO 0.00 0.34 0.41 -0.36 -0.54 0.00 0.00 174.62 174.47 3hrr s PHE 1535N -0.47 -0.00 -0.06 3.99 0.08 -1.26 -1.86 117.98 118.40 3hrr s PHE 1535Ca 0.06 -0.35 -0.19 0.00 0.12 0.00 0.00 56.93 56.57 3hrr s PHE 1535Cb -0.07 0.21 -0.31 0.00 -0.57 0.00 0.00 43.02 42.29 3hrr s PHE 1535CO -0.00 -0.78 0.80 0.00 -0.10 0.00 0.00 175.22 175.13 3hrr h ALA 1536N 2.37 -0.02 -2.48 5.36 0.00 -1.97 -3.46 119.26 119.06 3hrr h ALA 1536Ca -0.31 -0.84 -0.31 0.00 0.00 0.00 0.00 54.91 53.45 3hrr h ALA 1536Cb 1.25 0.23 -0.35 0.00 0.00 0.00 0.00 17.79 18.91 3hrr h ALA 1536CO 0.44 0.55 -0.62 0.00 0.00 0.00 0.00 179.25 179.62 3hrr s ALA 1537N -2.46 -0.32 -0.01 0.00 0.00 -1.26 -4.93 121.76 112.79 3hrr s ALA 1537Ca -0.15 0.28 -0.35 0.00 0.00 0.00 0.00 51.96 51.74 3hrr s ALA 1537Cb 0.02 -1.35 -0.13 0.00 0.00 0.00 0.00 23.12 21.66 3hrr s ALA 1537CO 0.82 -1.23 1.71 1.58 0.00 0.00 0.00 175.76 178.65 3hrr n HIS 1538N 5.32 2.21 0.16 0.00 -0.00 -1.26 -4.47 115.22 117.18 3hrr n HIS 1538Ca -0.05 0.20 0.15 0.00 0.46 0.00 0.00 57.72 58.48 3hrr n HIS 1538Cb 0.49 -2.57 0.73 0.00 -0.12 0.00 0.00 29.99 28.52 3hrr n HIS 1538CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3hrr h PRO 1539N 7.46 0.00 -0.24 1.57 0.11 -1.95 -1.32 132.00 137.62 3hrr h PRO 1539Ca -0.47 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.44 3hrr h PRO 1539Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3hrr h PRO 1539CO 0.91 0.00 -0.63 0.00 -0.21 0.00 0.00 178.00 178.07 3hrr h ALA 1540N 1.83 0.40 -0.13 -0.75 0.00 -1.89 -1.79 119.26 116.94 3hrr h ALA 1540Ca 0.11 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 3hrr h ALA 1540Cb 0.50 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3hrr h ALA 1540CO -0.00 0.68 -0.02 0.45 0.00 0.00 0.00 179.25 180.36 3hrr h HIS 1541N 0.63 0.27 -0.39 0.00 3.86 -1.61 -0.30 115.15 117.60 3hrr h HIS 1541Ca -0.01 -0.05 -0.11 0.00 -1.16 0.00 0.00 60.37 59.04 3hrr h HIS 1541Cb 1.25 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.64 3hrr h HIS 1541CO 0.08 0.52 -0.17 0.28 0.86 0.00 0.00 177.93 179.50 3hrr h VAL 1542N -0.05 1.28 -0.95 2.45 2.07 -1.37 -2.63 116.25 117.05 3hrr h VAL 1542Ca 0.03 -1.29 0.05 0.00 0.82 0.00 0.00 66.70 66.31 3hrr h VAL 1542Cb 0.42 1.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 3hrr h VAL 1542CO 0.01 0.43 0.61 -0.78 0.02 0.00 0.00 177.57 177.87 3hrr h ASP 1543N 0.61 1.00 -0.90 0.57 3.58 -1.29 -1.45 116.42 118.55 3hrr h ASP 1543Ca 0.09 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.58 3hrr h ASP 1543Cb 0.72 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.50 3hrr h ASP 1543CO 0.05 0.66 0.59 0.00 -2.88 0.00 0.00 179.24 177.67 3hrr h ALA 1544N 1.41 1.44 -0.30 -0.78 0.00 -0.77 0.21 119.26 120.48 3hrr h ALA 1544Ca 0.40 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.29 3hrr h ALA 1544Cb 0.09 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3hrr h ALA 1544CO -0.15 0.46 0.13 0.82 0.00 0.00 0.00 179.25 180.51 3hrr h ILE 1545N 1.11 0.96 0.00 0.00 2.04 -0.92 -2.62 117.51 118.07 3hrr h ILE 1545Ca 0.36 -0.09 -0.07 0.00 1.00 0.00 0.00 64.86 66.06 3hrr h ILE 1545Cb 0.05 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3hrr h ILE 1545CO -0.11 0.05 -0.34 0.71 0.00 0.00 0.00 178.15 178.46 3hrr h THR 1546N 0.27 0.85 -0.43 -0.27 1.35 -0.89 -2.63 112.91 111.16 3hrr h THR 1546Ca 0.13 -1.38 0.07 0.00 -0.55 0.00 0.00 66.41 64.68 3hrr h THR 1546Cb 0.07 1.84 -0.02 0.00 -1.73 0.00 0.00 68.15 68.31 3hrr h THR 1546CO -0.11 0.33 0.29 1.56 -0.25 0.00 0.00 175.52 177.34 3hrr h GLN 1547N 0.00 0.30 -0.41 4.72 4.20 -0.23 -2.12 115.11 121.57 3hrr h GLN 1547Ca -0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3hrr h GLN 1547Cb 0.82 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.51 3hrr h GLN 1547CO 0.04 0.20 0.26 0.28 -0.67 0.00 0.00 178.83 178.94 3hrr h VAL 1548N 0.31 1.12 -0.36 -0.54 2.07 -1.39 0.35 116.25 117.81 3hrr h VAL 1548Ca 0.19 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 3hrr h VAL 1548Cb 0.37 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3hrr h VAL 1548CO -0.04 0.12 -0.00 0.00 0.02 0.00 0.00 177.57 177.67 3hrr h ALA 1549N 1.13 0.49 -0.73 1.67 0.00 -1.61 -1.24 119.26 118.97 3hrr h ALA 1549Ca 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3hrr h ALA 1549Cb -0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3hrr h ALA 1549CO -0.03 0.26 0.37 0.78 0.00 0.00 0.00 179.25 180.63 3hrr h GLY 1550N 0.46 1.11 0.96 0.00 0.00 -1.12 -2.36 103.07 102.11 3hrr h GLY 1550Ca 0.10 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 3hrr h GLY 1550CO 0.02 0.51 0.17 -2.75 0.00 0.00 0.00 176.54 174.49 3hrr h PHE 1551N 1.01 0.72 -0.87 5.60 3.57 -0.23 -0.60 116.94 126.14 3hrr h PHE 1551Ca 0.25 -0.06 0.14 0.00 3.53 0.00 0.00 57.97 61.83 3hrr h PHE 1551Cb 0.09 -0.21 -0.09 0.00 2.79 0.00 0.00 35.95 38.52 3hrr h PHE 1551CO 0.00 0.63 0.48 0.00 -2.23 0.00 0.00 178.31 177.19 3hrr h ALA 1552N 1.02 1.31 0.07 2.41 0.00 -0.79 0.22 119.26 123.50 3hrr h ALA 1552Ca 0.15 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hrr h ALA 1552Cb 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3hrr h ALA 1552CO -0.01 -0.02 -0.04 0.52 0.00 0.00 0.00 179.25 179.71 3hrr h MET 1553N 0.70 -0.10 0.00 0.00 2.86 -1.19 -3.33 114.93 113.87 3hrr h MET 1553Ca 0.46 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 58.09 3hrr h MET 1553Cb 0.60 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.28 3hrr h MET 1553CO -0.33 0.45 -0.08 -0.91 1.06 0.00 0.00 176.91 177.10 3hrr h ASN 1554N -0.75 0.00 0.12 1.22 -0.26 -0.82 -2.91 115.58 112.18 3hrr h ASN 1554Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 3hrr h ASN 1554Cb 0.59 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.85 3hrr h ASN 1554CO 0.02 0.08 -0.09 0.00 -1.06 0.00 0.00 177.43 176.38 3hrr n ALA 1555N -2.13 2.76 -1.80 -0.83 0.00 0.04 -4.80 120.51 113.74 3hrr n ALA 1555Ca 0.01 -0.38 -0.42 0.00 0.00 0.00 0.00 53.44 52.65 3hrr n ALA 1555Cb 0.40 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 18.61 3hrr n ALA 1555CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3hrr s ASN 1556N -2.22 6.46 0.52 0.00 3.84 -1.10 -4.88 114.94 117.55 3hrr s ASN 1556Ca 0.33 2.84 0.21 0.00 0.21 0.00 0.00 52.86 56.46 3hrr s ASN 1556Cb 0.20 -2.62 1.32 0.00 -0.55 0.00 0.00 41.25 39.60 3hrr s ASN 1556CO 0.41 -0.87 2.04 -0.78 -2.79 0.00 0.00 177.10 175.12 3hrr h ASP 1557N 5.37 0.05 -0.03 -4.21 3.58 -1.91 -0.98 116.42 118.28 3hrr h ASP 1557Ca -0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.99 3hrr h ASP 1557Cb 1.22 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.26 3hrr h ASP 1557CO 0.83 0.03 0.00 0.59 -2.88 0.00 0.00 179.24 177.80 3hrr n ASN 1558N -4.43 1.47 -4.56 2.28 5.03 -1.26 -4.73 115.26 109.05 3hrr n ASN 1558Ca 0.06 -1.51 -0.41 0.00 0.87 0.00 0.00 54.58 53.60 3hrr n ASN 1558Cb 0.43 -0.01 -0.09 0.00 -1.02 0.00 0.00 39.78 39.09 3hrr n ASN 1558CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3hrr s VAL 1559N -1.97 5.14 -0.57 2.41 1.01 -0.37 -5.03 120.40 121.02 3hrr s VAL 1559Ca 0.38 0.19 -0.21 0.00 0.00 0.00 0.00 61.98 62.34 3hrr s VAL 1559Cb 0.21 -3.83 0.07 0.00 0.00 0.00 0.00 36.38 32.83 3hrr s VAL 1559CO 0.33 -0.07 0.77 -0.62 0.00 0.00 0.00 175.10 175.50 3hrr s ASP 1560N 1.72 6.22 0.00 3.32 -1.08 -1.26 -4.84 116.67 120.76 3hrr s ASP 1560Ca 0.14 -0.95 0.17 0.00 -0.52 0.00 0.00 52.55 51.39 3hrr s ASP 1560Cb -0.16 -2.35 0.83 0.00 -1.46 0.00 0.00 42.92 39.78 3hrr s ASP 1560CO 0.12 -1.12 1.53 2.30 0.52 0.00 0.00 175.17 178.52 3hrr n ILE 1561N 5.77 0.62 0.38 4.11 -5.35 -1.25 -1.36 119.36 122.28 3hrr n ILE 1561Ca -0.05 0.15 0.14 0.00 -0.27 0.00 0.00 62.75 62.72 3hrr n ILE 1561Cb 0.45 -0.86 0.48 0.00 -1.74 0.00 0.00 39.64 37.97 3hrr n ILE 1561CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 3hrr h GLU 1562N 0.00 0.00 0.00 6.28 4.39 -1.96 -3.39 114.58 119.90 3hrr h GLU 1562Ca 0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 3hrr h GLU 1562Cb 0.22 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 3hrr h GLU 1562CO 0.00 0.00 -1.34 1.63 -1.16 0.00 0.00 179.01 178.14 3hrr n LYS 1563N -2.62 0.14 -4.15 2.33 5.02 -0.60 -4.57 118.16 113.71 3hrr n LYS 1563Ca 0.03 0.05 -0.17 0.00 -2.02 0.00 0.00 58.31 56.20 3hrr n LYS 1563Cb 0.34 -0.84 -0.15 0.00 -0.02 0.00 0.00 35.03 34.37 3hrr n LYS 1563CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3hrr s GLN 1564N -2.11 0.51 0.05 1.97 -2.07 -0.46 -0.50 119.66 117.04 3hrr s GLN 1564Ca -0.08 -0.15 0.04 0.00 -1.82 0.00 0.00 55.36 53.35 3hrr s GLN 1564Cb 0.03 -0.52 -0.02 0.00 -1.09 0.00 0.00 33.01 31.41 3hrr s GLN 1564CO 0.12 0.05 -0.13 0.14 -1.32 0.00 0.00 175.29 174.15 3hrr s VAL 1565N 0.20 0.98 -0.20 3.63 -7.23 0.06 -3.91 120.40 113.92 3hrr s VAL 1565Ca -0.02 -1.11 -0.20 0.00 -1.81 0.00 0.00 61.98 58.84 3hrr s VAL 1565Cb -0.06 -0.94 -0.03 0.00 0.56 0.00 0.00 36.38 35.92 3hrr s VAL 1565CO -0.00 -0.15 0.59 -0.31 -0.31 0.00 0.00 175.10 174.92 3hrr s TYR 1566N -1.09 3.37 0.08 2.82 2.02 -1.26 -0.18 117.35 123.11 3hrr s TYR 1566Ca -0.02 0.87 0.09 0.00 -0.37 0.00 0.00 57.07 57.64 3hrr s TYR 1566Cb -0.09 -2.76 -0.04 0.00 -0.40 0.00 0.00 41.96 38.68 3hrr s TYR 1566CO 0.01 -0.16 -0.22 0.08 -1.57 0.00 0.00 175.55 173.70 3hrr s VAL 1567N 1.86 2.57 0.06 0.71 1.01 -0.25 -4.90 120.40 121.46 3hrr s VAL 1567Ca 0.27 -1.44 -0.31 0.00 0.00 0.00 0.00 61.98 60.50 3hrr s VAL 1567Cb -0.16 -2.11 -0.06 0.00 0.00 0.00 0.00 36.38 34.05 3hrr s VAL 1567CO 0.10 0.22 1.31 0.21 0.00 0.00 0.00 175.10 176.94 3hrr s ASN 1568N -1.74 6.93 -0.01 3.32 2.47 -1.26 -0.68 114.94 123.97 3hrr s ASN 1568Ca 0.15 2.13 0.13 0.00 0.42 0.00 0.00 52.86 55.69 3hrr s ASN 1568Cb -0.10 -2.58 -0.19 0.00 -1.45 0.00 0.00 41.25 36.93 3hrr s ASN 1568CO 0.06 -0.60 0.35 1.57 -3.72 0.00 0.00 177.10 174.76 3hrr n HIS 1569N 4.37 0.00 0.00 0.43 -0.00 -0.04 -4.89 115.22 115.09 3hrr n HIS 1569Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.83 3hrr n HIS 1569Cb 0.44 -0.24 0.00 0.00 -0.00 0.00 0.00 29.99 30.20 3hrr n HIS 1569CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3hrr n GLY 1570N 1.64 0.89 3.53 1.57 0.00 -1.20 -1.25 105.19 110.37 3hrr n GLY 1570Ca -0.01 -1.82 -0.07 0.00 0.00 0.00 0.00 46.02 44.11 3hrr n GLY 1570CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3hrr s TRP 1571N -3.11 -0.29 0.05 1.61 -2.14 -0.88 -1.03 118.94 113.15 3hrr s TRP 1571Ca 0.00 0.21 -0.03 0.00 2.66 0.00 0.00 56.10 58.94 3hrr s TRP 1571Cb 0.00 0.53 -0.28 0.00 -3.10 0.00 0.00 33.47 30.62 3hrr s TRP 1571CO 0.00 -0.44 1.05 -0.44 -2.66 0.00 0.00 176.95 174.46 3hrr h ASP 1572N 2.04 0.37 -4.17 -2.66 3.32 -1.15 -0.50 116.42 113.67 3hrr h ASP 1572Ca -0.18 -0.44 -0.09 0.00 0.02 0.00 0.00 57.03 56.34 3hrr h ASP 1572Cb 1.22 -0.12 -0.22 0.00 0.22 0.00 0.00 39.33 40.42 3hrr h ASP 1572CO 0.29 1.35 -0.08 -0.55 -1.72 0.00 0.00 179.24 178.53 3hrr s SER 1573N -7.04 -0.53 -0.10 6.45 0.15 -0.75 -0.79 113.70 111.10 3hrr s SER 1573Ca -0.05 0.92 -0.04 0.00 0.70 0.00 0.00 55.95 57.48 3hrr s SER 1573Cb 0.07 0.94 0.05 0.00 -1.71 0.00 0.00 66.02 65.37 3hrr s SER 1573CO 0.87 -0.26 0.20 0.12 1.20 0.00 0.00 173.24 175.37 3hrr s PHE 1574N -0.07 -0.28 0.00 3.44 5.99 -0.87 -0.78 117.98 125.40 3hrr s PHE 1574Ca -0.03 0.76 0.03 0.00 0.00 0.00 0.00 56.93 57.69 3hrr s PHE 1574Cb -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 43.02 42.83 3hrr s PHE 1574CO 0.02 -0.30 -0.10 -0.65 -0.00 0.00 0.00 175.22 174.19 3hrr s GLN 1575N 2.21 0.80 -0.11 10.12 -0.21 -0.90 -1.52 119.66 130.04 3hrr s GLN 1575Ca 0.01 -0.42 0.03 0.00 0.02 0.00 0.00 55.36 55.00 3hrr s GLN 1575Cb -0.12 -0.77 0.00 0.00 1.00 0.00 0.00 33.01 33.13 3hrr s GLN 1575CO -0.07 0.21 -0.23 0.42 -2.12 0.00 0.00 175.29 173.50 3hrr s ILE 1576N -0.37 2.12 -0.06 1.08 1.01 -1.26 -1.70 121.20 122.03 3hrr s ILE 1576Ca 0.03 -0.99 0.10 0.00 0.00 0.00 0.00 60.65 59.79 3hrr s ILE 1576Cb -0.05 -1.82 -0.15 0.00 0.01 0.00 0.00 42.46 40.45 3hrr s ILE 1576CO -0.00 0.56 0.24 -1.22 0.00 0.00 0.00 174.94 174.51 3hrr n TYR 1577N 3.62 0.00 -3.96 3.97 4.02 0.82 -4.92 117.16 120.71 3hrr n TYR 1577Ca -0.19 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.60 3hrr n TYR 1577Cb 0.53 -0.21 -0.11 0.00 -0.02 0.00 0.00 39.34 39.53 3hrr n TYR 1577CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 3hrr s GLN 1578N -2.62 0.30 0.25 -0.72 0.74 -1.08 -4.99 119.66 111.53 3hrr s GLN 1578Ca -0.03 -0.52 -0.28 0.00 0.05 0.00 0.00 55.36 54.58 3hrr s GLN 1578Cb 0.07 0.11 -0.15 0.00 1.10 0.00 0.00 33.01 34.13 3hrr s GLN 1578CO 0.42 -0.05 0.82 -0.35 -0.55 0.00 0.00 175.29 175.57 3hrr n PRO 1579N 1.73 0.80 -3.01 1.67 -0.04 -1.26 -4.91 135.00 129.98 3hrr n PRO 1579Ca -0.23 0.28 -0.44 0.00 -0.04 0.00 0.00 63.50 63.07 3hrr n PRO 1579Cb 0.56 -1.51 -0.00 0.00 -0.04 0.00 0.00 33.50 32.50 3hrr n PRO 1579CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hrr s LEU 1580N 1.46 5.26 -0.07 1.53 1.43 -1.26 -5.03 118.68 122.01 3hrr s LEU 1580Ca 0.62 -2.97 -0.30 0.00 -1.03 0.00 0.00 54.13 50.45 3hrr s LEU 1580Cb -0.80 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.02 3hrr s LEU 1580CO 0.58 -0.71 1.14 -0.62 0.23 0.00 0.00 176.35 176.97 3hrr s ASP 1581N 2.70 7.11 0.00 2.29 -1.08 -1.26 -4.87 116.67 121.56 3hrr s ASP 1581Ca 0.39 1.73 0.18 0.00 -0.52 0.00 0.00 52.55 54.34 3hrr s ASP 1581Cb -0.04 -2.56 1.10 0.00 -1.46 0.00 0.00 42.92 39.96 3hrr s ASP 1581CO -0.02 -0.54 1.57 -0.46 0.52 0.00 0.00 175.17 176.23 3hrr n ASN 1582N 5.14 0.00 -0.76 -0.34 0.23 -1.26 -1.55 115.26 116.71 3hrr n ASN 1582Ca 0.10 -0.98 0.09 0.00 -0.53 0.00 0.00 54.58 53.26 3hrr n ASN 1582Cb 0.47 0.00 0.09 0.00 -2.08 0.00 0.00 39.78 38.26 3hrr n ASN 1582CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3hrr n SER 1583N -0.87 2.61 -4.59 0.53 3.41 -1.26 -2.61 113.62 110.84 3hrr n SER 1583Ca 0.14 -1.79 -0.25 0.00 -0.26 0.00 0.00 58.87 56.70 3hrr n SER 1583Cb 0.06 -0.02 -0.09 0.00 -0.26 0.00 0.00 64.21 63.91 3hrr n SER 1583CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hrr s LYS 1584N -1.52 2.12 0.13 4.33 1.02 -0.60 -4.63 119.74 120.58 3hrr s LYS 1584Ca 0.23 -1.34 0.05 0.00 0.02 0.00 0.00 55.97 54.93 3hrr s LYS 1584Cb 0.16 -2.14 -0.04 0.00 -0.52 0.00 0.00 37.83 35.28 3hrr s LYS 1584CO 0.23 0.41 0.04 -1.54 -0.92 0.00 0.00 175.35 173.57 3hrr s SER 1585N -3.12 5.12 0.08 2.83 1.04 -1.26 -1.29 113.70 117.09 3hrr s SER 1585Ca 0.27 -0.21 0.01 0.00 0.48 0.00 0.00 55.95 56.50 3hrr s SER 1585Cb -0.08 -1.23 -0.04 0.00 0.10 0.00 0.00 66.02 64.77 3hrr s SER 1585CO 0.17 0.13 -0.06 -0.31 0.98 0.00 0.00 173.24 174.14 3hrr s TYR 1586N -1.53 0.77 -0.16 5.02 2.02 0.18 -4.93 117.35 118.72 3hrr s TYR 1586Ca 0.28 -0.88 -0.07 0.00 -0.37 0.00 0.00 57.07 56.02 3hrr s TYR 1586Cb -0.11 -0.47 -0.04 0.00 -0.40 0.00 0.00 41.96 40.95 3hrr s TYR 1586CO 0.20 -0.19 0.08 -0.65 -1.57 0.00 0.00 175.55 173.42 3hrr s GLN 1587N -3.51 3.76 -0.09 -0.62 1.11 -0.44 -0.68 119.66 119.19 3hrr s GLN 1587Ca 0.07 -0.28 0.03 0.00 0.01 0.00 0.00 55.36 55.20 3hrr s GLN 1587Cb 0.04 -3.19 0.00 0.00 -1.01 0.00 0.00 33.01 28.85 3hrr s GLN 1587CO -0.05 0.45 -0.20 0.08 0.01 0.00 0.00 175.29 175.58 3hrr s VAL 1588N -0.12 1.76 -0.02 1.09 1.01 0.00 0.11 120.40 124.23 3hrr s VAL 1588Ca 0.08 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.26 3hrr s VAL 1588Cb -0.12 -1.54 -0.00 0.00 0.00 0.00 0.00 36.38 34.72 3hrr s VAL 1588CO 0.01 0.49 -0.13 -0.47 0.00 0.00 0.00 175.10 175.00 3hrr s TYR 1589N 0.48 1.25 -0.04 5.22 5.04 -0.44 -1.01 117.35 127.86 3hrr s TYR 1589Ca -0.17 -0.29 -0.10 0.00 -2.44 0.00 0.00 57.07 54.07 3hrr s TYR 1589Cb -0.17 -0.84 0.02 0.00 0.35 0.00 0.00 41.96 41.32 3hrr s TYR 1589CO 0.07 -0.08 0.24 -0.08 -1.34 0.00 0.00 175.55 174.36 3hrr s THR 1590N -0.09 0.05 -0.28 4.34 -1.32 -0.54 -1.39 115.64 116.40 3hrr s THR 1590Ca 0.01 -0.38 0.00 0.00 -1.21 0.00 0.00 61.69 60.12 3hrr s THR 1590Cb -0.08 -0.47 0.08 0.00 -1.51 0.00 0.00 72.50 70.53 3hrr s THR 1590CO 0.00 -0.21 0.04 -0.75 -2.21 0.00 0.00 174.62 171.49 3hrr s LYS 1591N -0.83 1.12 -0.04 7.08 2.20 -1.25 -0.62 119.74 127.39 3hrr s LYS 1591Ca -0.09 -1.12 -0.13 0.00 -0.36 0.00 0.00 55.97 54.27 3hrr s LYS 1591Cb -0.05 -2.41 -0.31 0.00 -1.51 0.00 0.00 37.83 33.55 3hrr s LYS 1591CO 0.02 -0.82 0.72 0.52 -0.36 0.00 0.00 175.35 175.42 3hrr h MET 1592N 7.98 0.40 0.00 4.03 2.86 -1.32 -3.39 114.93 125.48 3hrr h MET 1592Ca -0.13 -0.68 0.00 0.00 -2.06 0.00 0.00 59.70 56.82 3hrr h MET 1592Cb 1.04 0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.96 3hrr h MET 1592CO 0.45 1.33 0.00 0.41 1.06 0.00 0.00 176.91 180.15 3hrr n GLY 1593N 1.82 0.90 3.84 8.32 0.00 -1.06 -4.40 105.19 114.61 3hrr n GLY 1593Ca -0.23 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 44.67 3hrr n GLY 1593CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hrr s GLN 1594N 0.00 3.68 0.68 1.61 -1.52 -1.26 -4.82 119.66 118.02 3hrr s GLN 1594Ca 0.00 -0.00 -0.15 0.00 -1.95 0.00 0.00 55.36 53.26 3hrr s GLN 1594Cb 0.00 -3.24 0.01 0.00 -0.22 0.00 0.00 33.01 29.56 3hrr s GLN 1594CO 0.00 0.67 1.13 0.00 -0.25 0.00 0.00 175.29 176.84 3hrr s ALA 1595N -0.79 2.38 0.00 6.09 0.00 -1.26 -4.89 121.76 123.29 3hrr s ALA 1595Ca 0.16 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.72 3hrr s ALA 1595Cb -0.13 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.64 3hrr s ALA 1595CO 0.05 -1.43 0.00 0.27 0.00 0.00 0.00 175.76 174.66 3hrr n ASN 1598N -2.54 0.00 0.12 0.00 6.94 -1.26 -5.13 115.26 113.39 3hrr n ASN 1598Ca 0.11 0.00 0.12 0.00 -0.02 0.00 0.00 54.58 54.79 3hrr n ASN 1598Cb 0.52 0.00 0.46 0.00 -2.36 0.00 0.00 39.78 38.40 3hrr n ASN 1598CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 3hrr n ASP 1599N 0.00 0.74 -4.27 0.53 -0.08 -1.26 -4.94 116.55 107.27 3hrr n ASP 1599Ca 0.00 0.63 -0.27 0.00 -1.51 0.00 0.00 54.79 53.64 3hrr n ASP 1599Cb 0.00 -0.81 -0.15 0.00 2.34 0.00 0.00 41.12 42.50 3hrr n ASP 1599CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3hrr s LEU 1600N -4.54 2.14 0.16 -2.67 1.43 -1.26 -0.53 118.68 113.41 3hrr s LEU 1600Ca 0.07 -0.51 0.09 0.00 -1.03 0.00 0.00 54.13 52.75 3hrr s LEU 1600Cb 0.10 -1.08 -0.04 0.00 0.03 0.00 0.00 46.19 45.20 3hrr s LEU 1600CO 0.47 0.21 -0.21 0.68 0.23 0.00 0.00 176.35 177.73 3hrr s VAL 1601N -0.74 1.98 0.05 -1.59 -7.23 0.16 -4.88 120.40 108.15 3hrr s VAL 1601Ca 0.09 -1.86 -0.04 0.00 -1.81 0.00 0.00 61.98 58.36 3hrr s VAL 1601Cb -0.09 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 34.96 3hrr s VAL 1601CO 0.01 -0.18 0.05 -1.38 -0.31 0.00 0.00 175.10 173.30 3hrr s HIS 1602N -1.68 0.32 -0.04 2.82 -3.43 -1.26 -1.38 115.29 110.64 3hrr s HIS 1602Ca 0.15 -0.74 -0.30 0.00 -0.80 0.00 0.00 55.06 53.36 3hrr s HIS 1602Cb -0.08 -0.23 0.12 0.00 -1.43 0.00 0.00 32.58 30.96 3hrr s HIS 1602CO 0.07 -0.38 1.33 0.20 -2.00 0.00 0.00 174.74 173.95 3hrr s GLY 1603N -2.49 -0.33 0.15 -1.38 0.00 -0.46 -4.69 107.32 98.11 3hrr s GLY 1603Ca 0.00 0.50 -0.01 0.00 0.00 0.00 0.00 44.72 45.22 3hrr s GLY 1603CO -0.07 2.41 0.32 0.99 0.00 0.00 0.00 173.10 176.75 3hrr s ASP 1604N -3.32 6.39 -0.08 1.64 1.01 -1.26 -0.53 116.67 120.51 3hrr s ASP 1604Ca 0.21 0.35 -0.00 0.00 0.71 0.00 0.00 52.55 53.82 3hrr s ASP 1604Cb 0.03 -1.99 0.02 0.00 1.01 0.00 0.00 42.92 42.00 3hrr s ASP 1604CO -0.03 0.04 -0.05 -0.69 0.21 0.00 0.00 175.17 174.65 3hrr s VAL 1605N -1.72 0.72 0.06 -1.27 1.01 -0.03 -3.89 120.40 115.28 3hrr s VAL 1605Ca 0.37 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.28 3hrr s VAL 1605Cb -0.12 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 3hrr s VAL 1605CO 0.28 0.30 -0.08 0.54 0.00 0.00 0.00 175.10 176.14 3hrr s VAL 1606N 1.58 3.53 -0.14 2.92 0.11 -0.49 -0.43 120.40 127.48 3hrr s VAL 1606Ca 0.01 -1.03 0.02 0.00 -2.93 0.00 0.00 61.98 58.05 3hrr s VAL 1606Cb -0.13 -2.60 0.01 0.00 -1.53 0.00 0.00 36.38 32.13 3hrr s VAL 1606CO -0.05 0.24 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.07 3hrr s VAL 1607N -1.12 1.94 0.22 2.04 1.01 -0.06 -1.33 120.40 123.11 3hrr s VAL 1607Ca 0.20 -0.91 0.10 0.00 0.00 0.00 0.00 61.98 61.37 3hrr s VAL 1607Cb -0.11 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 3hrr s VAL 1607CO 0.11 0.53 -0.11 -0.76 0.00 0.00 0.00 175.10 174.87 3hrr s LEU 1608N 0.89 2.87 -0.47 3.92 1.43 0.12 -0.52 118.68 126.92 3hrr s LEU 1608Ca -0.06 -0.73 0.03 0.00 -1.03 0.00 0.00 54.13 52.34 3hrr s LEU 1608Cb -0.15 -1.49 0.14 0.00 0.03 0.00 0.00 46.19 44.72 3hrr s LEU 1608CO -0.03 0.07 0.27 -0.62 0.23 0.00 0.00 176.35 176.27 3hrr s ASP 1609N -3.15 3.73 1.73 2.29 2.15 -0.02 -1.33 116.67 122.06 3hrr s ASP 1609Ca 0.27 -2.82 0.00 0.00 0.43 0.00 0.00 52.55 50.43 3hrr s ASP 1609Cb -0.07 -1.15 0.00 0.00 -0.30 0.00 0.00 42.92 41.40 3hrr s ASP 1609CO 0.16 -0.24 0.00 0.61 -0.17 0.00 0.00 175.17 175.52 3hrr n GLY 1610N 3.30 2.63 0.01 2.66 0.00 -1.26 -1.46 105.19 111.07 3hrr n GLY 1610Ca 0.10 0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.36 3hrr n GLY 1610CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hrr n GLU 1611N 6.84 0.04 -3.46 1.61 -0.58 -1.26 -4.95 120.64 118.88 3hrr n GLU 1611Ca 0.00 -0.02 -0.38 0.00 -0.42 0.00 0.00 57.16 56.34 3hrr n GLU 1611Cb 0.00 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.31 3hrr n GLU 1611CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3hrr s GLN 1612N -2.97 3.97 -0.17 3.49 2.00 -0.53 -4.99 119.66 120.46 3hrr s GLN 1612Ca 0.13 0.47 -0.29 0.00 -2.00 0.00 0.00 55.36 53.67 3hrr s GLN 1612Cb 0.18 -3.23 -0.01 0.00 0.80 0.00 0.00 33.01 30.76 3hrr s GLN 1612CO 0.61 0.67 1.12 0.42 -0.50 0.00 0.00 175.29 177.61 3hrr s ILE 1613N -1.05 4.53 -0.21 -2.34 -1.09 -1.26 -0.84 121.20 118.93 3hrr s ILE 1613Ca 0.25 1.83 -0.01 0.00 -2.23 0.00 0.00 60.65 60.49 3hrr s ILE 1613Cb -0.17 -4.18 -0.12 0.00 -1.58 0.00 0.00 42.46 36.40 3hrr s ILE 1613CO 0.14 -0.12 -0.20 0.52 -1.23 0.00 0.00 174.94 174.05 3hrr n VAL 1614N 5.14 1.17 -3.64 2.92 0.31 0.32 -4.52 118.33 120.03 3hrr n VAL 1614Ca 0.12 -0.42 -0.07 0.00 -0.01 0.00 0.00 64.34 63.96 3hrr n VAL 1614Cb 0.46 -1.34 -0.02 0.00 -0.91 0.00 0.00 33.84 32.03 3hrr n VAL 1614CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hrr s ALA 1615N -2.40 -1.63 -0.25 3.52 0.00 -1.12 -0.13 121.76 119.75 3hrr s ALA 1615Ca -0.28 0.39 -0.11 0.00 0.00 0.00 0.00 51.96 51.96 3hrr s ALA 1615Cb 0.08 0.65 0.09 0.00 0.00 0.00 0.00 23.12 23.94 3hrr s ALA 1615CO 0.45 -0.89 0.57 0.12 0.00 0.00 0.00 175.76 176.02 3hrr s PHE 1616N -3.42 -1.01 -0.20 0.00 5.36 -0.69 -0.88 117.98 117.15 3hrr s PHE 1616Ca 0.08 1.92 -0.14 0.00 -0.96 0.00 0.00 56.93 57.83 3hrr s PHE 1616Cb -0.02 0.55 -0.04 0.00 -0.34 0.00 0.00 43.02 43.17 3hrr s PHE 1616CO -0.03 -0.52 0.29 -0.06 -1.46 0.00 0.00 175.22 173.44 3hrr s PHE 1617N 2.12 3.39 -0.20 10.12 0.08 0.42 -2.12 117.98 131.79 3hrr s PHE 1617Ca -0.07 0.50 -0.06 0.00 0.12 0.00 0.00 56.93 57.41 3hrr s PHE 1617Cb -0.09 -2.38 -0.03 0.00 -0.57 0.00 0.00 43.02 39.95 3hrr s PHE 1617CO -0.17 0.11 0.04 0.50 -0.10 0.00 0.00 175.22 175.59 3hrr s ARG 1618N 0.92 3.76 -0.96 0.44 3.52 0.04 -0.85 118.95 125.83 3hrr s ARG 1618Ca 0.15 -0.45 -0.06 0.00 -0.13 0.00 0.00 55.73 55.24 3hrr s ARG 1618Cb -0.14 -3.17 0.01 0.00 -1.56 0.00 0.00 34.95 30.09 3hrr s ARG 1618CO 0.05 0.08 0.83 0.41 -0.81 0.00 0.00 175.30 175.86 3hrr n GLY 1619N 4.09 -0.11 3.69 8.12 0.00 -1.16 -1.80 105.19 118.01 3hrr n GLY 1619Ca -0.17 -0.02 -0.44 0.00 0.00 0.00 0.00 46.02 45.39 3hrr n GLY 1619CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hrr n LEU 1620N -3.67 3.46 -4.20 0.99 7.94 0.31 -2.35 117.00 119.47 3hrr n LEU 1620Ca -0.01 1.11 -0.32 0.00 -1.11 0.00 0.00 56.01 55.68 3hrr n LEU 1620Cb 0.55 -1.48 -0.16 0.00 0.53 0.00 0.00 43.42 42.85 3hrr n LEU 1620CO 0.46 -0.21 -0.54 -0.89 -1.11 0.00 0.00 177.39 175.10 3hrr s THR 1621N 0.45 2.15 -0.05 1.96 2.01 -0.19 -1.36 115.64 120.60 3hrr s THR 1621Ca 0.72 -0.96 0.04 0.00 0.31 0.00 0.00 61.69 61.80 3hrr s THR 1621Cb -0.61 -1.85 -0.02 0.00 0.01 0.00 0.00 72.50 70.03 3hrr s THR 1621CO 0.43 0.55 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.98 3hrr s LEU 1622N 0.62 2.56 -0.14 4.42 1.43 -0.48 -0.86 118.68 126.22 3hrr s LEU 1622Ca -0.12 -0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 52.67 3hrr s LEU 1622Cb -0.16 -1.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 3hrr s LEU 1622CO 0.03 0.32 -0.05 -0.60 0.23 0.00 0.00 176.35 176.28 3hrr s ARG 1623N -0.57 3.56 -0.21 1.70 3.52 0.15 -0.67 118.95 126.42 3hrr s ARG 1623Ca 0.08 -0.53 -0.29 0.00 -0.13 0.00 0.00 55.73 54.86 3hrr s ARG 1623Cb -0.11 -2.86 -0.02 0.00 -1.56 0.00 0.00 34.95 30.39 3hrr s ARG 1623CO 0.01 0.29 1.51 0.45 -0.81 0.00 0.00 175.30 176.75 3hrr s SER 1624N 0.22 6.54 0.06 -2.12 0.15 0.31 -1.09 113.70 117.77 3hrr s SER 1624Ca -0.03 1.60 0.09 0.00 0.70 0.00 0.00 55.95 58.31 3hrr s SER 1624Cb -0.14 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.61 3hrr s SER 1624CO 0.03 -1.13 -0.24 0.68 1.20 0.00 0.00 173.24 173.79 3hrr s VAL 1625N 4.71 1.91 0.20 4.45 -7.23 0.75 -4.95 120.40 120.24 3hrr s VAL 1625Ca 0.66 -1.37 -0.31 0.00 -1.81 0.00 0.00 61.98 59.15 3hrr s VAL 1625Cb -0.24 -1.66 -0.11 0.00 0.56 0.00 0.00 36.38 34.94 3hrr s VAL 1625CO 0.26 0.22 1.58 -2.84 -0.31 0.00 0.00 175.10 174.01 3hrr s PRO 1626N -1.38 4.19 0.19 4.82 0.02 -1.26 -0.76 135.00 140.82 3hrr s PRO 1626Ca 0.10 2.42 -0.12 0.00 0.02 0.00 0.00 61.00 63.42 3hrr s PRO 1626Cb -0.09 -3.12 0.14 0.00 0.02 0.00 0.00 34.50 31.45 3hrr s PRO 1626CO 0.03 -0.61 1.84 -0.09 -0.33 0.00 0.00 177.00 177.83 3hrr h ARG 1627N 6.31 0.75 -0.03 5.54 9.65 -1.06 0.14 114.38 135.68 3hrr h ARG 1627Ca -0.44 -0.04 -0.08 0.00 -1.10 0.00 0.00 59.98 58.32 3hrr h ARG 1627Cb 1.21 -0.17 0.01 0.00 -1.39 0.00 0.00 29.97 29.62 3hrr h ARG 1627CO 0.89 0.49 -0.29 0.78 2.80 0.00 0.00 179.97 184.64 3hrr h GLY 1628N 0.77 0.27 2.00 2.80 0.00 -1.80 -2.59 103.07 104.51 3hrr h GLY 1628Ca 0.25 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 3hrr h GLY 1628CO -0.09 0.37 -0.04 0.00 0.00 0.00 0.00 176.54 176.78 3hrr h ALA 1629N 0.34 1.08 -0.55 3.60 0.00 -1.93 -1.60 119.26 120.20 3hrr h ALA 1629Ca -0.03 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 3hrr h ALA 1629Cb 0.99 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3hrr h ALA 1629CO 0.06 0.06 -0.12 1.25 0.00 0.00 0.00 179.25 180.50 3hrr h LEU 1630N 0.00 1.05 -0.27 0.00 6.46 -0.62 -3.04 115.31 118.89 3hrr h LEU 1630Ca -0.00 -0.35 -0.02 0.00 -0.12 0.00 0.00 57.88 57.38 3hrr h LEU 1630Cb 0.32 -0.29 -0.01 0.00 -0.73 0.00 0.00 40.66 39.96 3hrr h LEU 1630CO 0.01 1.16 0.08 -0.09 -0.62 0.00 0.00 178.44 178.97 3hrr h ARG 1631N 0.92 0.43 0.46 1.25 2.43 -0.91 -2.05 114.38 116.92 3hrr h ARG 1631Ca 0.14 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3hrr h ARG 1631Cb 0.69 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 3hrr h ARG 1631CO 0.05 0.51 -0.51 0.28 -1.51 0.00 0.00 179.97 178.78 3hrr h VAL 1632N 0.28 0.00 -0.24 0.20 2.07 -1.45 -0.68 116.25 116.43 3hrr h VAL 1632Ca 0.09 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.67 3hrr h VAL 1632Cb 0.26 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.97 3hrr h VAL 1632CO -0.00 0.00 -0.20 0.58 0.02 0.00 0.00 177.57 177.97 3hrr h VAL 1633N -0.99 0.47 -0.76 2.57 2.07 -1.49 -0.61 116.25 117.51 3hrr h VAL 1633Ca -0.06 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 3hrr h VAL 1633Cb 0.87 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 3hrr h VAL 1633CO -0.09 0.00 0.47 -0.07 0.02 0.00 0.00 177.57 177.90 3hrr h LEU 1634N -0.20 0.90 -0.48 2.57 3.38 -1.23 -1.81 115.31 118.45 3hrr h LEU 1634Ca 0.14 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3hrr h LEU 1634Cb 0.40 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3hrr h LEU 1634CO -0.35 0.68 0.00 1.56 0.09 0.00 0.00 178.44 180.42 3hrr h GLN 1635N 1.04 0.00 -0.02 1.13 4.20 -0.68 -3.51 115.11 117.28 3hrr h GLN 1635Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 3hrr h GLN 1635Cb -0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.72 3hrr h GLN 1635CO -0.05 0.00 0.00 2.41 -0.67 0.00 0.00 178.83 180.52