#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrq n GLU 1305N 0.00 1.00 -2.69 2.12 4.07 -1.26 -4.96 120.64 118.92 3hrq n GLU 1305Ca 0.00 0.37 -0.40 0.00 -0.06 0.00 0.00 57.16 57.07 3hrq n GLU 1305Cb 0.00 -1.92 -0.06 0.00 -0.06 0.00 0.00 31.44 29.40 3hrq n GLU 1305CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3hrq s ILE 1306N -1.42 3.97 0.13 6.31 2.07 -1.26 -5.01 121.20 125.98 3hrq s ILE 1306Ca 0.66 1.96 -0.30 0.00 -1.41 0.00 0.00 60.65 61.56 3hrq s ILE 1306Cb -0.52 -4.25 -0.07 0.00 0.13 0.00 0.00 42.46 37.75 3hrq s ILE 1306CO 0.55 0.46 1.14 -0.54 -1.91 0.00 0.00 174.94 174.63 3hrq s LYS 1307N -1.16 4.53 0.38 3.50 -0.14 -1.26 -5.03 119.74 120.57 3hrq s LYS 1307Ca 0.42 1.73 -0.21 0.00 -1.36 0.00 0.00 55.97 56.56 3hrq s LYS 1307Cb -0.27 -3.31 -0.10 0.00 -1.68 0.00 0.00 37.83 32.47 3hrq s LYS 1307CO 0.34 -0.06 0.90 0.95 -0.76 0.00 0.00 175.35 176.71 3hrq s THR 1308N 0.29 4.43 0.03 2.17 -4.23 -1.26 -4.96 115.64 112.10 3hrq s THR 1308Ca 0.53 1.42 0.01 0.00 -1.18 0.00 0.00 61.69 62.47 3hrq s THR 1308Cb -0.29 -3.68 -0.00 0.00 1.34 0.00 0.00 72.50 69.87 3hrq s THR 1308CO 0.33 -0.20 0.03 0.35 -0.54 0.00 0.00 174.62 174.59 3hrq n THR 1309N -0.34 0.00 0.23 3.99 -2.24 0.20 -4.96 114.28 111.16 3hrq n THR 1309Ca 0.05 -0.22 0.06 0.00 -2.27 0.00 0.00 64.05 61.67 3hrq n THR 1309Cb 0.53 0.11 0.54 0.00 -2.10 0.00 0.00 70.33 69.40 3hrq n THR 1309CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3hrq h THR 1310N 1.10 1.10 -0.09 4.28 2.02 -1.78 -2.95 112.91 116.57 3hrq h THR 1310Ca -0.02 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.69 3hrq h THR 1310Cb 0.11 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3hrq h THR 1310CO 0.03 0.13 0.00 0.35 0.37 0.00 0.00 175.52 176.40 3hrq n THR 1311N -4.38 0.20 -3.62 3.16 -2.24 -1.26 -4.64 114.28 101.50 3hrq n THR 1311Ca -0.03 -0.60 -0.28 0.00 -2.27 0.00 0.00 64.05 60.88 3hrq n THR 1311Cb 0.21 1.12 -0.16 0.00 -2.10 0.00 0.00 70.33 69.39 3hrq n THR 1311CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3hrq s LEU 1312N -1.08 0.73 -0.18 3.22 0.20 -1.11 -4.76 118.68 115.70 3hrq s LEU 1312Ca 0.18 -0.97 -0.08 0.00 0.69 0.00 0.00 54.13 53.95 3hrq s LEU 1312Cb 0.12 -0.40 -0.22 0.00 -0.43 0.00 0.00 46.19 45.26 3hrq s LEU 1312CO 0.17 -0.38 0.15 1.41 -0.29 0.00 0.00 176.35 177.41 3hrq n HIS 1313N 5.19 0.83 -3.78 5.38 8.25 -0.17 0.60 115.22 131.53 3hrq n HIS 1313Ca -0.07 0.21 -0.12 0.00 -0.26 0.00 0.00 57.72 57.49 3hrq n HIS 1313Cb 0.46 -1.10 -0.08 0.00 1.12 0.00 0.00 29.99 30.38 3hrq n HIS 1313CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 3hrq s ARG 1314N -2.51 0.75 -0.32 -0.41 3.52 -0.59 -4.87 118.95 114.53 3hrq s ARG 1314Ca -0.28 -0.47 -0.16 0.00 -0.13 0.00 0.00 55.73 54.69 3hrq s ARG 1314Cb 0.08 0.32 -0.02 0.00 -1.56 0.00 0.00 34.95 33.77 3hrq s ARG 1314CO 0.68 -0.23 0.41 0.08 -0.81 0.00 0.00 175.30 175.43 3hrq s VAL 1315N -2.30 5.12 -0.13 7.11 1.01 -1.26 0.10 120.40 130.06 3hrq s VAL 1315Ca -0.07 0.32 -0.20 0.00 0.00 0.00 0.00 61.98 62.04 3hrq s VAL 1315Cb -0.02 -3.82 -0.26 0.00 0.00 0.00 0.00 36.38 32.28 3hrq s VAL 1315CO -0.02 -0.04 0.55 0.58 0.00 0.00 0.00 175.10 176.17 3hrq h VAL 1316N 5.51 1.19 -3.01 2.92 2.07 -0.63 -3.48 116.25 120.82 3hrq h VAL 1316Ca -0.30 -2.35 -0.14 0.00 0.82 0.00 0.00 66.70 64.73 3hrq h VAL 1316Cb 1.14 2.78 -0.23 0.00 -1.52 0.00 0.00 31.29 33.46 3hrq h VAL 1316CO 0.70 0.60 -0.32 -0.70 0.02 0.00 0.00 177.57 177.87 3hrq s GLU 1317N -2.40 0.48 -0.29 1.57 2.12 -0.86 -4.99 118.70 114.35 3hrq s GLU 1317Ca -0.21 0.18 0.02 0.00 0.36 0.00 0.00 54.97 55.32 3hrq s GLU 1317Cb 0.03 0.22 0.17 0.00 0.26 0.00 0.00 34.13 34.81 3hrq s GLU 1317CO 0.72 -0.10 0.45 -2.00 -0.54 0.00 0.00 175.26 173.80 3hrq s GLU 1318N -0.43 0.45 -0.10 4.30 2.12 -1.26 0.40 118.70 124.18 3hrq s GLU 1318Ca -0.05 0.30 0.01 0.00 0.36 0.00 0.00 54.97 55.59 3hrq s GLU 1318Cb -0.04 -0.16 0.02 0.00 0.26 0.00 0.00 34.13 34.21 3hrq s GLU 1318CO 0.02 -0.98 -0.12 0.95 -0.54 0.00 0.00 175.26 174.59 3hrq s THR 1319N 2.62 1.25 0.11 -1.70 -4.23 -0.76 -5.02 115.64 107.92 3hrq s THR 1319Ca 0.11 -0.48 -0.11 0.00 -1.18 0.00 0.00 61.69 60.03 3hrq s THR 1319Cb -0.12 -1.18 -0.06 0.00 1.34 0.00 0.00 72.50 72.47 3hrq s THR 1319CO -0.28 0.40 0.45 -0.89 -0.54 0.00 0.00 174.62 173.76 3hrq s THR 1320N 1.16 5.03 0.11 3.99 2.01 -1.26 -1.78 115.64 124.90 3hrq s THR 1320Ca -0.04 0.52 -0.00 0.00 0.31 0.00 0.00 61.69 62.48 3hrq s THR 1320Cb -0.14 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 3hrq s THR 1320CO -0.03 0.24 0.01 -0.75 -0.69 0.00 0.00 174.62 173.39 3hrq s LYS 1321N -2.03 0.85 0.36 4.92 2.20 0.86 -4.98 119.74 121.93 3hrq s LYS 1321Ca 0.36 -1.38 0.06 0.00 -0.36 0.00 0.00 55.97 54.65 3hrq s LYS 1321Cb -0.14 0.10 0.69 0.00 -1.51 0.00 0.00 37.83 36.97 3hrq s LYS 1321CO 0.19 -0.17 1.92 -1.00 -0.36 0.00 0.00 175.35 175.93 3hrq h PRO 1322N 2.93 0.47 -0.46 4.03 0.13 -1.98 -3.03 132.00 134.09 3hrq h PRO 1322Ca -0.35 -0.09 -0.23 0.00 -0.87 0.00 0.00 66.00 64.47 3hrq h PRO 1322Cb 1.18 -0.08 -0.14 0.00 0.13 0.00 0.00 31.00 32.10 3hrq h PRO 1322CO 0.62 0.48 0.05 1.28 -0.23 0.00 0.00 178.00 180.20 3hrq n LEU 1323N -4.32 4.60 0.00 1.56 4.77 -1.26 -4.56 117.00 117.78 3hrq n LEU 1323Ca 0.01 -3.69 0.00 0.00 -0.03 0.00 0.00 56.01 52.30 3hrq n LEU 1323Cb 0.21 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 3hrq n LEU 1323CO 0.38 1.18 0.00 0.61 -1.33 0.00 0.00 177.39 178.23 3hrq n GLY 1324N -1.07 0.74 3.39 -0.72 0.00 -1.14 -3.17 105.19 103.22 3hrq n GLY 1324Ca 0.37 -1.82 -0.10 0.00 0.00 0.00 0.00 46.02 44.46 3hrq n GLY 1324CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrq s ALA 1325N -1.22 0.38 -0.02 4.61 0.00 -0.79 -0.10 121.76 124.63 3hrq s ALA 1325Ca 0.00 -1.22 -0.01 0.00 0.00 0.00 0.00 51.96 50.73 3hrq s ALA 1325Cb 0.00 1.16 0.02 0.00 0.00 0.00 0.00 23.12 24.30 3hrq s ALA 1325CO 0.00 -0.71 0.05 0.99 0.00 0.00 0.00 175.76 176.09 3hrq s THR 1326N -4.07 -0.02 -0.09 0.00 2.01 -0.73 -1.55 115.64 111.18 3hrq s THR 1326Ca 0.28 0.09 -0.01 0.00 0.31 0.00 0.00 61.69 62.36 3hrq s THR 1326Cb 0.03 -0.09 0.03 0.00 0.01 0.00 0.00 72.50 72.48 3hrq s THR 1326CO 0.09 0.04 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.80 3hrq s LEU 1327N 0.47 0.89 -0.17 4.42 2.96 0.16 -1.82 118.68 125.60 3hrq s LEU 1327Ca -0.04 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 3hrq s LEU 1327Cb -0.05 -0.63 0.01 0.00 0.50 0.00 0.00 46.19 46.01 3hrq s LEU 1327CO -0.02 -0.15 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.99 3hrq s VAL 1328N 1.82 2.37 0.33 1.68 1.01 0.16 -0.31 120.40 127.46 3hrq s VAL 1328Ca 0.05 -0.86 0.10 0.00 0.00 0.00 0.00 61.98 61.27 3hrq s VAL 1328Cb -0.12 -1.99 -0.06 0.00 0.00 0.00 0.00 36.38 34.20 3hrq s VAL 1328CO -0.06 0.52 -0.11 0.68 0.00 0.00 0.00 175.10 176.13 3hrq s VAL 1329N 1.04 2.28 0.04 2.92 -7.23 -0.26 0.11 120.40 119.31 3hrq s VAL 1329Ca -0.01 -2.23 0.04 0.00 -1.81 0.00 0.00 61.98 57.96 3hrq s VAL 1329Cb -0.15 -2.60 -0.02 0.00 0.56 0.00 0.00 36.38 34.17 3hrq s VAL 1329CO -0.05 -0.23 -0.12 -0.70 -0.31 0.00 0.00 175.10 173.69 3hrq s GLU 1330N -3.60 0.75 -0.07 4.82 2.12 0.29 -1.48 118.70 121.53 3hrq s GLU 1330Ca 0.32 -0.74 -0.03 0.00 0.36 0.00 0.00 54.97 54.88 3hrq s GLU 1330Cb 0.01 -0.70 0.04 0.00 0.26 0.00 0.00 34.13 33.74 3hrq s GLU 1330CO 0.16 0.16 0.08 0.99 -0.54 0.00 0.00 175.26 176.11 3hrq s THR 1331N -1.01 -0.13 -0.69 -1.70 2.01 -0.53 -1.00 115.64 112.60 3hrq s THR 1331Ca -0.02 0.32 -0.23 0.00 0.31 0.00 0.00 61.69 62.07 3hrq s THR 1331Cb -0.08 -0.24 0.07 0.00 0.01 0.00 0.00 72.50 72.25 3hrq s THR 1331CO 0.01 0.10 1.02 -0.62 -0.69 0.00 0.00 174.62 174.44 3hrq s ASP 1332N 2.18 6.20 0.00 3.53 -1.08 -1.26 -0.82 116.67 125.41 3hrq s ASP 1332Ca 0.04 -0.98 0.08 0.00 -0.52 0.00 0.00 52.55 51.17 3hrq s ASP 1332Cb -0.13 -2.44 0.46 0.00 -1.46 0.00 0.00 42.92 39.35 3hrq s ASP 1332CO -0.04 -1.48 0.89 2.30 0.52 0.00 0.00 175.17 177.36 3hrq n ILE 1333N 5.98 0.00 0.44 4.11 -5.35 -0.79 -1.80 119.36 121.95 3hrq n ILE 1333Ca -0.01 0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.58 3hrq n ILE 1333Cb 0.46 -0.54 -0.07 0.00 -1.74 0.00 0.00 39.64 37.75 3hrq n ILE 1333CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3hrq n SER 1334N -0.76 0.51 -4.71 7.28 7.64 -1.26 -3.62 113.62 118.68 3hrq n SER 1334Ca 0.06 -0.27 -0.43 0.00 1.01 0.00 0.00 58.87 59.24 3hrq n SER 1334Cb 0.03 1.22 -0.02 0.00 -1.01 0.00 0.00 64.21 64.42 3hrq n SER 1334CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3hrq n ARG 1335N -2.01 2.46 -0.01 1.43 0.63 -0.74 -4.58 116.66 113.83 3hrq n ARG 1335Ca 0.00 0.88 0.23 0.00 -0.92 0.00 0.00 57.85 58.03 3hrq n ARG 1335Cb 0.47 -2.62 0.72 0.00 0.45 0.00 0.00 32.46 31.48 3hrq n ARG 1335CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3hrq h LYS 1336N 4.80 0.00 0.00 -0.14 1.57 -1.92 0.44 116.57 121.32 3hrq h LYS 1336Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3hrq h LYS 1336Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3hrq h LYS 1336CO 0.80 0.00 0.00 0.38 -0.57 0.00 0.00 179.45 180.06 3hrq h ASP 1337N 0.00 0.00 0.00 0.86 2.03 -1.96 -3.37 116.42 113.98 3hrq h ASP 1337Ca 0.28 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.58 3hrq h ASP 1337Cb 1.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.73 3hrq h ASP 1337CO -0.00 0.00 -0.52 0.55 -1.03 0.00 0.00 179.24 178.24 3hrq n VAL 1338N -2.51 0.00 -0.19 4.15 3.14 -0.28 -4.80 118.33 117.83 3hrq n VAL 1338Ca 0.05 -0.09 -0.00 0.00 -2.96 0.00 0.00 64.34 61.33 3hrq n VAL 1338Cb 0.43 0.52 0.10 0.00 -1.06 0.00 0.00 33.84 33.83 3hrq n VAL 1338CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 3hrq h ASN 1339N 0.00 0.14 -0.74 6.55 -1.24 -0.26 -0.48 115.58 119.55 3hrq h ASN 1339Ca 0.00 0.09 0.05 0.00 0.71 0.00 0.00 56.30 57.14 3hrq h ASN 1339Cb 0.00 0.09 -0.05 0.00 0.73 0.00 0.00 38.32 39.09 3hrq h ASN 1339CO 0.00 0.09 0.45 1.23 -1.29 0.00 0.00 177.43 177.91 3hrq h GLY 1340N 0.34 1.08 1.79 1.57 0.00 -1.83 -2.40 103.07 103.63 3hrq h GLY 1340Ca 0.30 -0.33 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 3hrq h GLY 1340CO -0.33 0.24 -0.33 1.41 0.00 0.00 0.00 176.54 177.54 3hrq h LEU 1341N 0.84 0.24 -0.90 3.11 3.38 -1.54 -2.67 115.31 117.77 3hrq h LEU 1341Ca 0.31 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3hrq h LEU 1341Cb 0.11 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3hrq h LEU 1341CO -0.15 0.56 0.00 0.00 0.09 0.00 0.00 178.44 178.95 3hrq h ALA 1342N 1.45 1.00 -2.28 1.53 0.00 -0.62 -3.30 119.26 117.04 3hrq h ALA 1342Ca 0.03 0.00 -0.77 0.00 0.00 0.00 0.00 54.91 54.17 3hrq h ALA 1342Cb 0.69 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.17 3hrq h ALA 1342CO 0.05 0.00 0.40 0.54 0.00 0.00 0.00 179.25 180.24 3hrq n ARG 1343N -2.42 3.70 0.03 0.00 1.74 -1.01 -3.25 116.66 115.46 3hrq n ARG 1343Ca 0.02 -4.53 -0.19 0.00 -0.77 0.00 0.00 57.85 52.37 3hrq n ARG 1343Cb 0.24 -2.48 -0.13 0.00 -1.02 0.00 0.00 32.46 29.07 3hrq n ARG 1343CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3hrq h GLY 1344N 5.72 0.40 -2.75 -0.13 0.00 -1.49 -3.40 103.07 101.42 3hrq h GLY 1344Ca 0.19 -0.86 -0.62 0.00 0.00 0.00 0.00 47.33 46.04 3hrq h GLY 1344CO 1.11 0.76 -0.75 0.30 0.00 0.00 0.00 176.54 177.96 3hrq s HIS 1345N -2.76 2.43 -0.13 5.60 3.76 -1.12 -1.41 115.29 121.66 3hrq s HIS 1345Ca -0.13 -0.30 -0.01 0.00 -0.15 0.00 0.00 55.06 54.47 3hrq s HIS 1345Cb 0.02 -1.12 0.04 0.00 1.11 0.00 0.00 32.58 32.63 3hrq s HIS 1345CO 0.83 0.61 -0.02 -1.17 -0.85 0.00 0.00 174.74 174.14 3hrq s LEU 1346N -3.20 1.07 -0.16 0.89 2.96 0.04 -0.79 118.68 119.50 3hrq s LEU 1346Ca 0.27 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.77 3hrq s LEU 1346Cb -0.07 -0.66 0.02 0.00 0.50 0.00 0.00 46.19 45.98 3hrq s LEU 1346CO 0.15 -0.20 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.09 3hrq s VAL 1347N 1.82 1.94 -1.48 1.68 1.01 -0.42 -1.02 120.40 123.94 3hrq s VAL 1347Ca 0.03 -0.89 -0.09 0.00 0.00 0.00 0.00 61.98 61.04 3hrq s VAL 1347Cb -0.14 -1.75 0.06 0.00 0.00 0.00 0.00 36.38 34.55 3hrq s VAL 1347CO -0.07 0.52 0.79 0.47 0.00 0.00 0.00 175.10 176.81 3hrq n ASP 1348N 4.43 -2.89 0.00 3.32 8.00 -1.26 -0.56 116.55 127.58 3hrq n ASP 1348Ca -0.20 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.44 3hrq n ASP 1348Cb 0.51 -3.62 0.00 0.00 -0.02 0.00 0.00 41.12 37.99 3hrq n ASP 1348CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hrq n GLY 1349N -1.67 0.54 3.53 0.44 0.00 -1.26 -4.99 105.19 101.77 3hrq n GLY 1349Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 3hrq n GLY 1349CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hrq s ILE 1350N -2.55 4.67 0.32 -0.61 1.01 0.27 -5.08 121.20 119.23 3hrq s ILE 1350Ca 0.00 -0.06 -0.28 0.00 0.00 0.00 0.00 60.65 60.31 3hrq s ILE 1350Cb 0.00 -3.18 -0.10 0.00 0.01 0.00 0.00 42.46 39.20 3hrq s ILE 1350CO 0.00 0.34 1.15 -2.16 0.00 0.00 0.00 174.94 174.28 3hrq s PRO 1351N 1.36 4.46 0.00 2.79 0.04 -1.26 -1.30 135.00 141.09 3hrq s PRO 1351Ca 0.06 1.88 0.03 0.00 0.04 0.00 0.00 61.00 63.00 3hrq s PRO 1351Cb -0.15 -3.04 -0.01 0.00 0.04 0.00 0.00 34.50 31.34 3hrq s PRO 1351CO 0.05 0.02 -0.09 -0.51 0.04 0.00 0.00 177.00 176.51 3hrq s LEU 1352N -1.77 2.05 0.03 -3.56 1.43 0.03 -4.09 118.68 112.81 3hrq s LEU 1352Ca 0.48 -0.22 -0.24 0.00 -1.03 0.00 0.00 54.13 53.13 3hrq s LEU 1352Cb -0.33 -0.42 -0.05 0.00 0.03 0.00 0.00 46.19 45.41 3hrq s LEU 1352CO 0.42 0.07 0.73 0.00 0.23 0.00 0.00 176.35 177.80 3hrq s THR 1354N -0.05 4.86 0.50 0.00 -4.23 -1.26 -4.67 115.64 110.79 3hrq s THR 1354Ca 0.37 0.44 0.22 0.00 -1.18 0.00 0.00 61.69 61.54 3hrq s THR 1354Cb -0.20 -3.73 0.38 0.00 1.34 0.00 0.00 72.50 70.29 3hrq s THR 1354CO 0.22 -0.46 1.98 -0.65 -0.54 0.00 0.00 174.62 175.16 3hrq h PRO 1355N 1.38 0.14 0.00 3.99 0.11 -1.97 0.79 132.00 136.43 3hrq h PRO 1355Ca -0.47 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hrq h PRO 1355Cb 1.19 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3hrq h PRO 1355CO 0.64 0.09 -0.01 0.66 -0.21 0.00 0.00 178.00 179.17 3hrq h SER 1356N 0.14 0.00 -0.19 -2.05 4.64 -1.93 -1.48 113.55 112.68 3hrq h SER 1356Ca 0.28 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.57 3hrq h SER 1356Cb 0.90 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.99 3hrq h SER 1356CO -0.04 0.01 0.03 0.15 -0.87 0.00 0.00 176.83 176.11 3hrq h PHE 1357N 0.00 0.33 -0.62 4.77 3.57 -1.12 -1.59 116.94 122.28 3hrq h PHE 1357Ca -0.00 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.37 3hrq h PHE 1357Cb 0.04 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 3hrq h PHE 1357CO 0.00 0.47 0.05 1.88 -2.23 0.00 0.00 178.31 178.48 3hrq h TYR 1358N 0.09 1.14 -0.84 0.41 0.05 -1.45 -2.92 116.97 113.45 3hrq h TYR 1358Ca 0.06 -0.18 0.05 0.00 0.05 0.00 0.00 58.73 58.71 3hrq h TYR 1358Cb 0.32 -0.30 -0.05 0.00 1.01 0.00 0.00 36.73 37.71 3hrq h TYR 1358CO 0.02 0.98 0.55 0.00 -1.05 0.00 0.00 178.16 178.66 3hrq h ALA 1359N 1.01 1.55 -0.09 3.88 0.00 -1.08 0.81 119.26 125.34 3hrq h ALA 1359Ca 0.18 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hrq h ALA 1359Cb 0.50 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hrq h ALA 1359CO 0.02 0.34 0.04 0.22 0.00 0.00 0.00 179.25 179.87 3hrq h ASP 1360N 0.97 0.12 -0.50 0.00 3.58 -1.11 -1.06 116.42 118.43 3hrq h ASP 1360Ca 0.35 -0.14 -0.05 0.00 0.42 0.00 0.00 57.03 57.61 3hrq h ASP 1360Cb 0.16 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 3hrq h ASP 1360CO -0.12 0.23 0.13 0.40 -2.88 0.00 0.00 179.24 177.01 3hrq h ILE 1361N 0.01 1.23 -0.59 2.25 2.04 -1.31 -2.00 117.51 119.13 3hrq h ILE 1361Ca 0.03 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 65.04 3hrq h ILE 1361Cb 0.15 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 3hrq h ILE 1361CO -0.00 0.31 0.23 0.00 0.00 0.00 0.00 178.15 178.68 3hrq h ALA 1362N 1.33 0.76 -0.77 1.87 0.00 -0.57 -0.62 119.26 121.27 3hrq h ALA 1362Ca 0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3hrq h ALA 1362Cb 0.30 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3hrq h ALA 1362CO -0.00 0.38 0.41 0.52 0.00 0.00 0.00 179.25 180.56 3hrq h MET 1363N 0.81 1.07 0.30 0.00 2.86 -0.86 0.62 114.93 119.74 3hrq h MET 1363Ca 0.19 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 3hrq h MET 1363Cb 0.21 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.67 3hrq h MET 1363CO -0.01 0.80 -0.15 1.96 1.06 0.00 0.00 176.91 180.57 3hrq h GLN 1364N 1.06 -0.39 0.00 1.72 4.20 -0.79 0.23 115.11 121.14 3hrq h GLN 1364Ca 0.27 0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.95 3hrq h GLN 1364Cb 0.05 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3hrq h GLN 1364CO -0.04 -0.15 -0.27 -0.39 -0.67 0.00 0.00 178.83 177.31 3hrq h VAL 1365N -0.59 0.77 -0.01 -0.54 -1.51 -1.08 -2.03 116.25 111.27 3hrq h VAL 1365Ca -0.04 -1.10 -0.03 0.00 -1.23 0.00 0.00 66.70 64.30 3hrq h VAL 1365Cb 0.43 1.68 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 3hrq h VAL 1365CO 0.07 0.26 -0.11 1.23 -1.23 0.00 0.00 177.57 177.79 3hrq h GLY 1366N 1.56 0.10 1.34 5.19 0.00 -0.72 -1.71 103.07 108.83 3hrq h GLY 1366Ca -0.00 -0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.18 3hrq h GLY 1366CO 0.03 0.14 0.44 1.46 0.00 0.00 0.00 176.54 178.62 3hrq h GLN 1367N -0.61 0.88 0.24 4.80 4.20 -0.47 -0.13 115.11 124.03 3hrq h GLN 1367Ca -0.01 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 3hrq h GLN 1367Cb 0.85 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.43 3hrq h GLN 1367CO 0.02 0.58 -0.12 -0.92 -0.67 0.00 0.00 178.83 177.73 3hrq h TYR 1368N 0.91 -0.30 -0.51 2.96 3.20 -1.40 -1.97 116.97 119.86 3hrq h TYR 1368Ca 0.24 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.15 3hrq h TYR 1368Cb -0.10 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.22 3hrq h TYR 1368CO 0.00 0.03 0.25 0.77 -1.64 0.00 0.00 178.16 177.57 3hrq h SER 1369N -0.66 0.36 -0.86 -2.11 0.02 -1.05 -1.82 113.55 107.44 3hrq h SER 1369Ca -0.03 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3hrq h SER 1369Cb 0.47 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.93 3hrq h SER 1369CO 0.05 0.25 0.50 -0.03 -1.14 0.00 0.00 176.83 176.47 3hrq h MET 1370N 0.49 1.18 0.00 3.45 1.85 -1.04 -2.82 114.93 118.05 3hrq h MET 1370Ca 0.22 -0.12 -0.07 0.00 -0.61 0.00 0.00 59.70 59.13 3hrq h MET 1370Cb 0.14 -0.24 -0.01 0.00 0.43 0.00 0.00 31.60 31.91 3hrq h MET 1370CO -0.16 0.84 -0.32 1.96 -0.40 0.00 0.00 176.91 178.83 3hrq h GLN 1371N 1.20 0.00 0.00 0.39 4.20 -0.87 -3.28 115.11 116.74 3hrq h GLN 1371Ca 0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.02 3hrq h GLN 1371Cb -0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3hrq h GLN 1371CO -0.06 0.32 -0.63 2.89 -0.67 0.00 0.00 178.83 180.69 3hrq n ARG 1372N -3.29 0.15 0.00 1.46 1.85 -0.73 -3.68 116.66 112.43 3hrq n ARG 1372Ca 0.01 0.03 0.12 0.00 -1.00 0.00 0.00 57.85 57.02 3hrq n ARG 1372Cb 0.58 -1.58 0.24 0.00 -1.05 0.00 0.00 32.46 30.65 3hrq n ARG 1372CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3hrq n LEU 1373N -1.79 1.42 0.00 2.89 4.77 -1.11 -5.10 117.00 118.08 3hrq n LEU 1373Ca 0.04 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 3hrq n LEU 1373Cb 0.39 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3hrq n LEU 1373CO 0.36 0.26 0.00 0.54 -1.33 0.00 0.00 177.39 177.23 3hrq n ARG 1374N -0.38 0.00 -0.10 3.23 1.74 -1.24 -3.90 116.66 116.02 3hrq n ARG 1374Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 3hrq n ARG 1374Cb 0.39 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.83 3hrq n ARG 1374CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hrq n GLY 1385N 4.87 -0.27 3.70 -0.13 0.00 -1.26 -5.05 105.19 107.05 3hrq n GLY 1385Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3hrq n GLY 1385CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hrq s LEU 1386N 0.00 4.29 -0.20 0.99 1.43 -1.26 -5.03 118.68 118.90 3hrq s LEU 1386Ca 0.00 1.43 -0.07 0.00 -1.03 0.00 0.00 54.13 54.45 3hrq s LEU 1386Cb 0.00 -3.39 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 3hrq s LEU 1386CO 0.00 -0.29 0.07 -0.69 0.23 0.00 0.00 176.35 175.66 3hrq s VAL 1387N 1.40 4.66 -0.22 -1.59 1.01 -1.26 -1.93 120.40 122.47 3hrq s VAL 1387Ca 0.45 -0.07 -0.06 0.00 0.00 0.00 0.00 61.98 62.30 3hrq s VAL 1387Cb -0.19 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 3hrq s VAL 1387CO 0.20 0.42 0.02 -0.62 0.00 0.00 0.00 175.10 175.13 3hrq s ASP 1388N 0.73 4.89 -0.79 3.32 -1.08 0.14 -4.58 116.67 119.30 3hrq s ASP 1388Ca 0.03 -0.22 -0.21 0.00 -0.52 0.00 0.00 52.55 51.63 3hrq s ASP 1388Cb -0.13 -1.85 0.09 0.00 -1.46 0.00 0.00 42.92 39.57 3hrq s ASP 1388CO 0.02 0.02 1.06 -0.69 0.52 0.00 0.00 175.17 176.10 3hrq s VAL 1389N 1.28 4.46 0.40 1.11 1.01 -0.69 -0.71 120.40 127.26 3hrq s VAL 1389Ca 0.04 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 61.21 3hrq s VAL 1389Cb -0.15 -4.75 -0.02 0.00 0.00 0.00 0.00 36.38 31.46 3hrq s VAL 1389CO 0.02 -1.51 0.35 -0.94 0.00 0.00 0.00 175.10 173.02 3hrq s SER 1390N 3.75 5.10 -1.53 3.32 1.04 -0.34 -2.43 113.70 122.62 3hrq s SER 1390Ca 0.28 -0.69 -0.06 0.00 0.48 0.00 0.00 55.95 55.96 3hrq s SER 1390Cb -0.11 -0.67 0.05 0.00 0.10 0.00 0.00 66.02 65.40 3hrq s SER 1390CO 0.01 -0.58 0.48 0.47 0.98 0.00 0.00 173.24 174.61 3hrq n ASP 1391N -1.50 -1.13 -4.68 7.02 8.00 -0.19 -0.45 116.55 123.62 3hrq n ASP 1391Ca 0.02 -1.05 -0.42 0.00 0.71 0.00 0.00 54.79 54.05 3hrq n ASP 1391Cb 0.61 -2.76 -0.03 0.00 -0.02 0.00 0.00 41.12 38.93 3hrq n ASP 1391CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3hrq s MET 1392N -6.79 4.31 -0.11 -1.24 -2.45 -0.01 -4.12 119.30 108.88 3hrq s MET 1392Ca 0.25 1.69 0.00 0.00 -1.25 0.00 0.00 55.69 56.38 3hrq s MET 1392Cb -0.14 -3.62 0.02 0.00 1.25 0.00 0.00 34.83 32.35 3hrq s MET 1392CO 0.92 -0.53 -0.09 0.08 1.05 0.00 0.00 175.02 176.44 3hrq s VAL 1393N 2.60 1.14 -0.32 10.11 1.01 0.18 -2.08 120.40 133.05 3hrq s VAL 1393Ca 0.56 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 62.06 3hrq s VAL 1393Cb -0.24 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 3hrq s VAL 1393CO 0.20 0.38 0.18 -0.69 0.00 0.00 0.00 175.10 175.17 3hrq s VAL 1394N 1.54 4.80 -0.20 2.92 1.01 -0.97 -1.45 120.40 128.05 3hrq s VAL 1394Ca 0.02 -0.35 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 3hrq s VAL 1394Cb -0.13 -3.45 -0.20 0.00 0.00 0.00 0.00 36.38 32.60 3hrq s VAL 1394CO -0.07 0.05 0.05 0.47 0.00 0.00 0.00 175.10 175.60 3hrq n ASP 1395N 5.02 2.01 -3.88 3.32 8.00 0.17 -4.94 116.55 126.26 3hrq n ASP 1395Ca -0.14 0.15 -0.13 0.00 0.71 0.00 0.00 54.79 55.39 3hrq n ASP 1395Cb 0.49 -0.73 -0.14 0.00 -0.02 0.00 0.00 41.12 40.72 3hrq n ASP 1395CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3hrq s LYS 1396N -2.51 0.06 0.57 -1.24 1.02 -0.82 -5.05 119.74 111.76 3hrq s LYS 1396Ca -0.30 -0.01 -0.21 0.00 0.02 0.00 0.00 55.97 55.47 3hrq s LYS 1396Cb 0.08 -0.07 -0.04 0.00 -0.52 0.00 0.00 37.83 37.28 3hrq s LYS 1396CO 0.65 0.00 1.34 0.00 -0.92 0.00 0.00 175.35 176.42 3hrq s ALA 1397N 0.06 2.72 -0.25 5.17 0.00 -1.26 -4.58 121.76 123.62 3hrq s ALA 1397Ca -0.00 1.30 -0.01 0.00 0.00 0.00 0.00 51.96 53.25 3hrq s ALA 1397Cb -0.01 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.58 3hrq s ALA 1397CO -0.00 -1.41 -0.08 -1.17 0.00 0.00 0.00 175.76 173.10 3hrq s LEU 1398N -3.71 3.21 -0.40 0.00 2.96 -1.26 -4.99 118.68 114.49 3hrq s LEU 1398Ca 0.74 -0.99 -0.10 0.00 -0.22 0.00 0.00 54.13 53.55 3hrq s LEU 1398Cb -0.40 -1.63 0.05 0.00 0.50 0.00 0.00 46.19 44.72 3hrq s LEU 1398CO 0.46 -0.14 0.24 -0.69 -1.32 0.00 0.00 176.35 174.90 3hrq s VAL 1399N 1.27 4.46 -0.80 1.68 1.01 -1.26 -1.25 120.40 125.51 3hrq s VAL 1399Ca -0.02 -1.11 -0.25 0.00 0.00 0.00 0.00 61.98 60.60 3hrq s VAL 1399Cb -0.17 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 3hrq s VAL 1399CO -0.05 -0.38 1.95 -2.84 0.00 0.00 0.00 175.10 173.78 3hrq s PRO 1400N 1.50 2.53 0.37 2.72 0.02 -1.26 -4.82 135.00 136.06 3hrq s PRO 1400Ca 0.02 0.06 0.11 0.00 0.02 0.00 0.00 61.00 61.21 3hrq s PRO 1400Cb -0.21 -4.83 0.73 0.00 0.02 0.00 0.00 34.50 30.21 3hrq s PRO 1400CO 0.05 -3.22 1.85 1.12 -0.33 0.00 0.00 177.00 176.47 3hrq h HIS 1401N 12.68 0.11 -1.24 6.54 2.07 -1.95 -3.47 115.15 129.89 3hrq h HIS 1401Ca -0.03 -0.02 -0.26 0.00 -2.85 0.00 0.00 60.37 57.22 3hrq h HIS 1401Cb 1.06 -0.03 -0.05 0.00 2.57 0.00 0.00 27.41 30.96 3hrq h HIS 1401CO 1.16 0.38 -0.28 0.41 -3.07 0.00 0.00 177.93 176.53 3hrq n GLY 1402N -0.61 0.56 3.01 6.13 0.00 -1.26 -4.95 105.19 108.07 3hrq n GLY 1402Ca -0.02 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 3hrq n GLY 1402CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hrq n LYS 1403N -2.41 2.60 0.00 1.61 5.02 -1.26 -5.02 118.16 118.70 3hrq n LYS 1403Ca -0.14 -4.50 0.00 0.00 -2.02 0.00 0.00 58.31 51.65 3hrq n LYS 1403Cb 0.52 -2.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.15 3hrq n LYS 1403CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hrq n GLY 1404N 2.06 -2.40 3.75 0.72 0.00 -1.26 -4.91 105.19 103.15 3hrq n GLY 1404Ca 0.22 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 3hrq n GLY 1404CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hrq n PRO 1405N -0.41 2.63 -3.57 1.61 -0.02 -1.26 -4.72 135.00 129.26 3hrq n PRO 1405Ca 0.00 0.93 -0.29 0.00 -2.02 0.00 0.00 63.50 62.12 3hrq n PRO 1405Cb 0.00 -2.67 -0.13 0.00 -0.02 0.00 0.00 33.50 30.67 3hrq n PRO 1405CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3hrq s GLN 1406N -1.19 0.62 -0.33 -0.52 0.74 -1.26 -5.01 119.66 112.71 3hrq s GLN 1406Ca 0.60 -1.22 -0.27 0.00 0.05 0.00 0.00 55.36 54.51 3hrq s GLN 1406Cb -0.50 -1.55 0.01 0.00 1.10 0.00 0.00 33.01 32.07 3hrq s GLN 1406CO 0.55 -1.12 0.97 -0.51 -0.55 0.00 0.00 175.29 174.63 3hrq s LEU 1407N 1.27 3.99 -0.30 3.68 1.43 -1.24 -1.88 118.68 125.62 3hrq s LEU 1407Ca 0.15 0.85 -0.14 0.00 -1.03 0.00 0.00 54.13 53.95 3hrq s LEU 1407Cb -0.21 -3.36 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 3hrq s LEU 1407CO -0.12 -0.81 0.33 -0.22 0.23 0.00 0.00 176.35 175.77 3hrq s LEU 1408N 3.43 4.22 -0.20 1.79 2.96 -0.00 -0.96 118.68 129.91 3hrq s LEU 1408Ca 0.40 -0.00 -0.09 0.00 -0.22 0.00 0.00 54.13 54.22 3hrq s LEU 1408Cb -0.13 -2.33 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 3hrq s LEU 1408CO 0.15 -0.23 0.10 -0.60 -1.32 0.00 0.00 176.35 174.45 3hrq s ARG 1409N 1.99 4.05 -0.21 1.98 3.52 0.23 -1.45 118.95 129.06 3hrq s ARG 1409Ca 0.12 -0.30 -0.04 0.00 -0.13 0.00 0.00 55.73 55.38 3hrq s ARG 1409Cb -0.16 -3.34 -0.02 0.00 -1.56 0.00 0.00 34.95 29.87 3hrq s ARG 1409CO 0.11 0.23 -0.03 0.99 -0.81 0.00 0.00 175.30 175.79 3hrq s THR 1410N 0.53 3.62 -0.20 4.11 2.01 -0.55 -1.46 115.64 123.70 3hrq s THR 1410Ca 0.05 -0.42 -0.01 0.00 0.31 0.00 0.00 61.69 61.62 3hrq s THR 1410Cb -0.12 -2.64 0.01 0.00 0.01 0.00 0.00 72.50 69.76 3hrq s THR 1410CO 0.00 0.43 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.36 3hrq s THR 1411N 1.19 2.74 -0.11 -0.82 2.01 -0.16 -1.10 115.64 119.39 3hrq s THR 1411Ca 0.03 -0.73 -0.01 0.00 0.31 0.00 0.00 61.69 61.29 3hrq s THR 1411Cb -0.14 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.12 3hrq s THR 1411CO -0.00 0.46 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.09 3hrq s LEU 1412N 1.38 3.07 0.00 4.42 0.20 0.57 -1.10 118.68 127.23 3hrq s LEU 1412Ca 0.05 -0.13 0.03 0.00 0.69 0.00 0.00 54.13 54.77 3hrq s LEU 1412Cb -0.14 -1.69 -0.01 0.00 -0.43 0.00 0.00 46.19 43.92 3hrq s LEU 1412CO -0.08 0.26 -0.08 0.42 -0.29 0.00 0.00 176.35 176.58 3hrq s THR 1413N -0.22 0.64 0.14 3.68 -4.23 -0.00 -0.66 115.64 114.99 3hrq s THR 1413Ca 0.03 -0.48 0.04 0.00 -1.18 0.00 0.00 61.69 60.10 3hrq s THR 1413Cb -0.13 -0.57 -0.04 0.00 1.34 0.00 0.00 72.50 73.10 3hrq s THR 1413CO 0.03 0.09 -0.09 -0.04 -0.54 0.00 0.00 174.62 174.07 3hrq s MET 1414N -0.43 1.01 0.01 3.99 -1.94 -0.60 -1.35 119.30 119.99 3hrq s MET 1414Ca 0.01 -1.43 -0.09 0.00 -1.71 0.00 0.00 55.69 52.47 3hrq s MET 1414Cb -0.04 -0.51 0.01 0.00 2.01 0.00 0.00 34.83 36.29 3hrq s MET 1414CO -0.00 0.05 0.19 -1.21 -0.01 0.00 0.00 175.02 174.04 3hrq s GLU 1415N -3.77 0.58 -0.07 2.03 2.02 -1.26 -1.88 118.70 116.35 3hrq s GLU 1415Ca 0.16 -0.43 -0.30 0.00 0.02 0.00 0.00 54.97 54.42 3hrq s GLU 1415Cb 0.03 0.25 0.11 0.00 0.10 0.00 0.00 34.13 34.62 3hrq s GLU 1415CO -0.01 -0.15 0.96 1.67 0.02 0.00 0.00 175.26 177.75 3hrq s TRP 1416N -1.72 -0.32 0.73 1.61 -2.14 -1.19 -4.89 118.94 111.02 3hrq s TRP 1416Ca -0.12 0.30 -0.13 0.00 2.66 0.00 0.00 56.10 58.82 3hrq s TRP 1416Cb -0.05 0.51 0.04 0.00 -3.10 0.00 0.00 33.47 30.87 3hrq s TRP 1416CO 0.01 -0.44 1.11 -2.14 -2.66 0.00 0.00 176.95 172.82 3hrq s PRO 1417N -2.48 2.38 0.11 3.25 0.02 -1.26 -4.45 135.00 132.57 3hrq s PRO 1417Ca 0.04 1.32 -0.34 0.00 0.02 0.00 0.00 61.00 62.04 3hrq s PRO 1417Cb -0.01 -1.90 -0.18 0.00 0.02 0.00 0.00 34.50 32.43 3hrq s PRO 1417CO -0.06 -1.56 0.86 -2.30 -0.33 0.00 0.00 177.00 173.61 3hrq n PRO 1418N -3.08 0.21 -3.67 5.54 -0.02 -1.26 -1.46 135.00 131.26 3hrq n PRO 1418Ca 0.10 0.07 -0.25 0.00 -2.02 0.00 0.00 63.50 61.40 3hrq n PRO 1418Cb 0.52 -1.37 -0.04 0.00 -0.02 0.00 0.00 33.50 32.59 3hrq n PRO 1418CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3hrq n LYS 1419N 1.33 -1.92 -0.13 -0.52 2.85 -1.26 -4.76 118.16 113.75 3hrq n LYS 1419Ca 0.18 0.14 0.05 0.00 -1.05 0.00 0.00 58.31 57.64 3hrq n LYS 1419Cb 0.18 -4.72 0.07 0.00 -0.65 0.00 0.00 35.03 29.91 3hrq n LYS 1419CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3hrq n ALA 1420N -3.46 2.04 -0.24 0.58 0.00 -0.53 -4.80 120.51 114.11 3hrq n ALA 1420Ca 0.06 -1.77 0.15 0.00 0.00 0.00 0.00 53.44 51.88 3hrq n ALA 1420Cb 0.48 -0.29 0.45 0.00 0.00 0.00 0.00 19.45 20.09 3hrq n ALA 1420CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hrq h ALA 1421N 0.00 2.01 0.00 0.00 0.00 -1.86 -1.21 119.26 118.20 3hrq h ALA 1421Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hrq h ALA 1421Cb 0.96 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3hrq h ALA 1421CO 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 179.25 178.99 3hrq h ALA 1422N 1.62 1.00 -0.02 0.00 0.00 -1.87 -2.03 119.26 117.95 3hrq h ALA 1422Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3hrq h ALA 1422Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3hrq h ALA 1422CO -0.18 0.00 -0.16 0.25 0.00 0.00 0.00 179.25 179.16 3hrq n THR 1423N -2.78 0.00 -1.71 0.00 -2.24 -0.46 -4.83 114.28 102.26 3hrq n THR 1423Ca -0.02 -0.39 -0.43 0.00 -2.27 0.00 0.00 64.05 60.94 3hrq n THR 1423Cb 0.09 1.32 -0.03 0.00 -2.10 0.00 0.00 70.33 69.61 3hrq n THR 1423CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3hrq n THR 1424N 0.77 0.21 -0.18 4.28 -1.04 -0.77 -4.90 114.28 112.65 3hrq n THR 1424Ca 0.13 -0.05 0.01 0.00 -2.04 0.00 0.00 64.05 62.10 3hrq n THR 1424Cb 0.53 -1.88 0.02 0.00 -1.82 0.00 0.00 70.33 67.18 3hrq n THR 1424CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3hrq n ARG 1425N 3.49 2.68 -3.54 -2.82 1.74 -1.26 -4.91 116.66 112.03 3hrq n ARG 1425Ca 0.15 -1.64 -0.11 0.00 -0.77 0.00 0.00 57.85 55.48 3hrq n ARG 1425Cb 0.34 -1.06 -0.03 0.00 -1.02 0.00 0.00 32.46 30.69 3hrq n ARG 1425CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3hrq s SER 1426N -1.25 -0.41 -0.12 0.55 1.04 -1.26 -0.58 113.70 111.67 3hrq s SER 1426Ca 0.05 -0.17 -0.18 0.00 0.48 0.00 0.00 55.95 56.13 3hrq s SER 1426Cb 0.04 0.55 0.04 0.00 0.10 0.00 0.00 66.02 66.76 3hrq s SER 1426CO 0.00 -0.94 0.45 0.00 0.98 0.00 0.00 173.24 173.73 3hrq s ALA 1427N -3.78 -1.12 0.02 5.32 0.00 -0.12 -4.78 121.76 117.29 3hrq s ALA 1427Ca 0.03 1.04 -0.21 0.00 0.00 0.00 0.00 51.96 52.82 3hrq s ALA 1427Cb -0.00 -0.44 -0.06 0.00 0.00 0.00 0.00 23.12 22.62 3hrq s ALA 1427CO -0.11 -0.25 0.61 0.15 0.00 0.00 0.00 175.76 176.16 3hrq s LYS 1428N -0.35 4.32 -0.03 0.00 -0.14 -0.46 -1.08 119.74 121.99 3hrq s LYS 1428Ca -0.05 0.77 0.04 0.00 -1.36 0.00 0.00 55.97 55.37 3hrq s LYS 1428Cb -0.03 -3.32 -0.00 0.00 -1.68 0.00 0.00 37.83 32.79 3hrq s LYS 1428CO 0.03 0.41 -0.15 0.08 -0.76 0.00 0.00 175.35 174.96 3hrq s VAL 1429N -0.36 1.27 0.02 3.17 1.01 0.19 -0.82 120.40 124.88 3hrq s VAL 1429Ca 0.31 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.71 3hrq s VAL 1429Cb -0.19 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 3hrq s VAL 1429CO 0.18 0.37 -0.17 -0.54 0.00 0.00 0.00 175.10 174.94 3hrq s LYS 1430N 0.01 1.22 -0.15 2.72 1.02 -0.26 -1.39 119.74 122.92 3hrq s LYS 1430Ca -0.02 -0.75 0.01 0.00 0.02 0.00 0.00 55.97 55.23 3hrq s LYS 1430Cb -0.10 -1.24 0.02 0.00 -0.52 0.00 0.00 37.83 35.98 3hrq s LYS 1430CO 0.01 0.32 -0.18 -0.06 -0.92 0.00 0.00 175.35 174.53 3hrq s PHE 1431N -0.65 2.40 -0.02 3.18 0.40 0.30 -0.99 117.98 122.60 3hrq s PHE 1431Ca 0.05 -1.30 -0.18 0.00 -0.60 0.00 0.00 56.93 54.90 3hrq s PHE 1431Cb -0.08 -1.70 0.03 0.00 0.51 0.00 0.00 43.02 41.79 3hrq s PHE 1431CO 0.01 -0.65 0.38 0.00 0.70 0.00 0.00 175.22 175.66 3hrq s ALA 1432N 1.18 -0.98 0.05 5.36 0.00 -0.54 -0.69 121.76 126.14 3hrq s ALA 1432Ca -0.00 0.52 -0.03 0.00 0.00 0.00 0.00 51.96 52.45 3hrq s ALA 1432Cb -0.14 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 3hrq s ALA 1432CO -0.07 -0.28 0.24 0.95 0.00 0.00 0.00 175.76 176.60 3hrq s THR 1433N -1.30 5.35 0.03 0.00 -4.23 -0.07 0.75 115.64 116.17 3hrq s THR 1433Ca -0.13 -0.16 0.04 0.00 -1.18 0.00 0.00 61.69 60.26 3hrq s THR 1433Cb -0.04 -3.60 -0.02 0.00 1.34 0.00 0.00 72.50 70.18 3hrq s THR 1433CO 0.05 0.21 -0.12 -0.31 -0.54 0.00 0.00 174.62 173.91 3hrq s TYR 1434N -1.45 1.05 0.16 3.99 2.02 -0.14 0.66 117.35 123.63 3hrq s TYR 1434Ca 0.33 -0.35 0.03 0.00 -0.37 0.00 0.00 57.07 56.72 3hrq s TYR 1434Cb -0.13 -0.62 -0.02 0.00 -0.40 0.00 0.00 41.96 40.78 3hrq s TYR 1434CO 0.23 0.01 1.37 0.74 -1.57 0.00 0.00 175.55 176.33 3hrq h PHE 1435N 4.98 0.23 -3.26 2.71 -1.00 -1.95 -3.28 116.94 115.37 3hrq h PHE 1435Ca -0.36 -0.13 -0.53 0.00 2.81 0.00 0.00 57.97 59.75 3hrq h PHE 1435Cb 1.18 -0.02 0.08 0.00 3.61 0.00 0.00 35.95 40.80 3hrq h PHE 1435CO 0.54 0.97 0.89 -1.17 -1.61 0.00 0.00 178.31 177.92 3hrq s LEU 1440N -7.31 4.35 -0.05 1.54 0.20 -1.26 -5.01 118.68 111.13 3hrq s LEU 1440Ca -0.02 2.92 -0.09 0.00 0.69 0.00 0.00 54.13 57.63 3hrq s LEU 1440Cb 0.10 -3.63 -0.03 0.00 -0.43 0.00 0.00 46.19 42.20 3hrq s LEU 1440CO 0.82 -0.91 -0.17 -0.67 -0.29 0.00 0.00 176.35 175.14 3hrq n ASP 1441N 2.38 1.41 -3.64 3.68 2.03 0.21 -5.08 116.55 117.54 3hrq n ASP 1441Ca 0.09 0.22 -0.12 0.00 0.52 0.00 0.00 54.79 55.49 3hrq n ASP 1441Cb 0.37 -0.53 -0.07 0.00 -0.72 0.00 0.00 41.12 40.17 3hrq n ASP 1441CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3hrq s THR 1442N -2.35 -0.00 -0.32 5.18 2.01 -1.02 -4.98 115.64 114.16 3hrq s THR 1442Ca -0.14 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.67 3hrq s THR 1442Cb 0.02 -0.96 -0.01 0.00 0.01 0.00 0.00 72.50 71.56 3hrq s THR 1442CO 0.21 0.00 0.58 -1.61 -0.69 0.00 0.00 174.62 173.11 3hrq s GLU 1443N 0.65 3.80 -0.24 4.92 2.02 -1.26 -0.89 118.70 127.70 3hrq s GLU 1443Ca -0.02 0.11 -0.16 0.00 0.02 0.00 0.00 54.97 54.92 3hrq s GLU 1443Cb -0.05 -3.76 -0.16 0.00 0.10 0.00 0.00 34.13 30.26 3hrq s GLU 1443CO -0.04 -0.59 -0.07 0.72 0.02 0.00 0.00 175.26 175.30 3hrq n HIS 1444N 5.83 0.51 -4.01 1.61 8.25 0.13 -4.22 115.22 123.32 3hrq n HIS 1444Ca -0.03 0.20 -0.11 0.00 -0.26 0.00 0.00 57.72 57.52 3hrq n HIS 1444Cb 0.49 -1.05 -0.03 0.00 1.12 0.00 0.00 29.99 30.51 3hrq n HIS 1444CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hrq s ALA 1445N -2.45 0.12 0.08 -1.41 0.00 -1.03 0.45 121.76 117.52 3hrq s ALA 1445Ca -0.33 -1.14 -0.22 0.00 0.00 0.00 0.00 51.96 50.27 3hrq s ALA 1445Cb 0.10 1.04 0.05 0.00 0.00 0.00 0.00 23.12 24.32 3hrq s ALA 1445CO 0.56 -0.85 0.52 -1.54 0.00 0.00 0.00 175.76 174.44 3hrq s SER 1446N -3.12 -0.43 0.20 0.00 1.04 -0.52 -0.54 113.70 110.32 3hrq s SER 1446Ca 0.25 0.07 -0.23 0.00 0.48 0.00 0.00 55.95 56.51 3hrq s SER 1446Cb -0.01 0.51 0.05 0.00 0.10 0.00 0.00 66.02 66.67 3hrq s SER 1446CO 0.14 -0.79 0.78 0.00 0.98 0.00 0.00 173.24 174.36 3hrq s THR 1448N -3.64 2.11 0.11 0.00 2.01 0.40 -0.64 115.64 116.00 3hrq s THR 1448Ca 0.09 -1.27 -0.26 0.00 0.31 0.00 0.00 61.69 60.57 3hrq s THR 1448Cb -0.03 -2.05 -0.07 0.00 0.01 0.00 0.00 72.50 70.36 3hrq s THR 1448CO 0.01 0.27 0.79 0.68 -0.69 0.00 0.00 174.62 175.68 3hrq s VAL 1449N 1.20 4.53 -0.01 3.82 -7.23 -0.24 -1.20 120.40 121.26 3hrq s VAL 1449Ca -0.02 1.72 0.05 0.00 -1.81 0.00 0.00 61.98 61.92 3hrq s VAL 1449Cb -0.16 -4.15 -0.01 0.00 0.56 0.00 0.00 36.38 32.61 3hrq s VAL 1449CO -0.09 0.44 -0.16 -0.13 -0.31 0.00 0.00 175.10 174.84 3hrq s ARG 1450N -0.57 1.30 -0.91 4.82 0.52 0.12 -0.95 118.95 123.28 3hrq s ARG 1450Ca 0.38 -0.57 -0.14 0.00 -0.52 0.00 0.00 55.73 54.88 3hrq s ARG 1450Cb -0.22 -1.26 0.22 0.00 0.52 0.00 0.00 34.95 34.21 3hrq s ARG 1450CO 0.25 0.34 0.91 -0.06 0.02 0.00 0.00 175.30 176.77 3hrq s PHE 1451N -0.36 3.76 0.75 -0.53 0.08 0.26 0.23 117.98 122.17 3hrq s PHE 1451Ca 0.06 -2.05 -0.07 0.00 0.12 0.00 0.00 56.93 54.99 3hrq s PHE 1451Cb -0.06 -3.91 0.10 0.00 -0.57 0.00 0.00 43.02 38.58 3hrq s PHE 1451CO -0.01 -1.07 1.06 -0.08 -0.10 0.00 0.00 175.22 175.03 3hrq s THR 1452N 0.30 2.21 0.67 0.64 -1.32 -0.81 -4.87 115.64 112.46 3hrq s THR 1452Ca 0.23 -0.29 -0.03 0.00 -1.21 0.00 0.00 61.69 60.39 3hrq s THR 1452Cb -0.09 -2.92 0.08 0.00 -1.51 0.00 0.00 72.50 68.06 3hrq s THR 1452CO -0.09 0.00 0.95 -0.94 -2.21 0.00 0.00 174.62 172.34 3hrq s SER 1453N -4.62 4.74 -0.16 8.08 1.04 -1.26 -4.34 113.70 117.18 3hrq s SER 1453Ca 0.64 0.10 0.14 0.00 0.48 0.00 0.00 55.95 57.31 3hrq s SER 1453Cb -0.09 -0.72 0.70 0.00 0.10 0.00 0.00 66.02 66.01 3hrq s SER 1453CO 0.46 -1.59 1.58 -0.90 0.98 0.00 0.00 173.24 173.77 3hrq n ASP 1454N -2.77 4.80 -0.04 7.02 5.68 -1.26 -4.45 116.55 125.53 3hrq n ASP 1454Ca 0.10 -2.62 -0.09 0.00 -0.50 0.00 0.00 54.79 51.68 3hrq n ASP 1454Cb 0.60 -0.61 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 3hrq n ASP 1454CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hrq h ALA 1455N 3.91 0.23 -0.37 2.12 0.00 -1.99 -0.43 119.26 122.72 3hrq h ALA 1455Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3hrq h ALA 1455Cb 1.58 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 3hrq h ALA 1455CO 0.33 -0.35 0.17 0.37 0.00 0.00 0.00 179.25 179.77 3hrq h GLN 1456N 0.18 0.54 -0.18 0.00 4.15 -2.00 -1.37 115.11 116.43 3hrq h GLN 1456Ca 0.09 -0.09 0.04 0.00 0.77 0.00 0.00 58.65 59.47 3hrq h GLN 1456Cb 0.05 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 27.60 3hrq h GLN 1456CO -0.08 0.50 -0.11 1.25 -1.93 0.00 0.00 178.83 178.45 3hrq h LEU 1457N 0.46 -0.36 -1.17 -2.39 5.85 -1.78 0.21 115.31 116.13 3hrq h LEU 1457Ca 0.13 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.98 3hrq h LEU 1457Cb 0.14 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 3hrq h LEU 1457CO -0.01 -0.15 0.57 0.11 -0.34 0.00 0.00 178.44 178.62 3hrq h LYS 1458N -0.11 1.01 -0.31 1.25 1.57 -0.88 -0.24 116.57 118.87 3hrq h LYS 1458Ca 0.10 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 3hrq h LYS 1458Cb 0.26 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3hrq h LYS 1458CO -0.25 0.67 -0.01 1.03 -0.57 0.00 0.00 179.45 180.32 3hrq h SER 1459N 1.04 0.54 -0.84 0.86 0.87 -0.26 -2.75 113.55 113.02 3hrq h SER 1459Ca 0.36 -0.32 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 3hrq h SER 1459Cb 0.11 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 61.89 3hrq h SER 1459CO -0.12 0.73 0.45 -0.07 -0.53 0.00 0.00 176.83 177.29 3hrq h LEU 1460N 0.35 1.06 -1.55 2.23 3.38 0.06 -2.06 115.31 118.78 3hrq h LEU 1460Ca 0.09 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3hrq h LEU 1460Cb 0.46 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3hrq h LEU 1460CO 0.02 0.85 0.15 0.03 0.09 0.00 0.00 178.44 179.58 3hrq h ARG 1461N 1.18 0.45 0.00 1.13 3.08 -0.91 -1.05 114.38 118.26 3hrq h ARG 1461Ca 0.30 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.30 3hrq h ARG 1461Cb 0.04 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3hrq h ARG 1461CO -0.05 0.36 0.00 0.00 -1.07 0.00 0.00 179.97 179.21 3hrq h ARG 1462N 0.46 0.00 -0.22 0.04 3.08 -1.09 -3.10 114.38 113.55 3hrq h ARG 1462Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3hrq h ARG 1462Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3hrq h ARG 1462CO -0.02 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.31 3hrq n SER 1463N -3.05 2.87 -0.09 7.04 7.64 -0.44 -4.57 113.62 123.01 3hrq n SER 1463Ca 0.03 -1.91 -0.07 0.00 1.01 0.00 0.00 58.87 57.93 3hrq n SER 1463Cb 0.42 -0.13 -0.00 0.00 -1.01 0.00 0.00 64.21 63.49 3hrq n SER 1463CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3hrq h VAL 1464N 3.99 0.41 -0.47 0.44 2.07 -1.36 -0.68 116.25 120.65 3hrq h VAL 1464Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3hrq h VAL 1464Cb 0.87 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3hrq h VAL 1464CO 0.00 0.00 0.31 0.77 0.02 0.00 0.00 177.57 178.67 3hrq h SER 1465N -0.17 0.37 -0.33 0.57 4.64 -1.85 -0.17 113.55 116.61 3hrq h SER 1465Ca 0.17 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.41 3hrq h SER 1465Cb 0.44 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3hrq h SER 1465CO -0.44 0.25 -0.13 -0.08 -0.87 0.00 0.00 176.83 175.55 3hrq h GLU 1466N 0.42 0.67 -0.57 4.77 4.81 -1.48 -1.33 114.58 121.88 3hrq h GLU 1466Ca 0.20 -0.28 -0.07 0.00 -0.13 0.00 0.00 59.36 59.08 3hrq h GLU 1466Cb 0.26 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3hrq h GLU 1466CO -0.05 0.87 0.07 1.88 -0.73 0.00 0.00 179.01 181.05 3hrq h TYR 1467N 0.44 1.03 -0.96 0.92 0.05 -0.47 -1.98 116.97 116.00 3hrq h TYR 1467Ca 0.08 -0.15 0.03 0.00 0.05 0.00 0.00 58.73 58.73 3hrq h TYR 1467Cb 0.65 -0.28 -0.05 0.00 1.01 0.00 0.00 36.73 38.05 3hrq h TYR 1467CO 0.06 0.91 0.63 0.87 -1.05 0.00 0.00 178.16 179.57 3hrq h LYS 1468N 0.86 1.20 -0.62 4.88 1.79 -0.93 -0.77 116.57 122.98 3hrq h LYS 1468Ca 0.17 -0.07 -0.09 0.00 -2.18 0.00 0.00 60.65 58.47 3hrq h LYS 1468Cb 0.45 -0.27 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 3hrq h LYS 1468CO 0.02 0.79 0.02 1.15 -1.08 0.00 0.00 179.45 180.35 3hrq h THR 1469N 1.23 1.27 -0.48 -0.16 2.02 -0.91 0.13 112.91 116.00 3hrq h THR 1469Ca 0.38 -1.14 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 3hrq h THR 1469Cb -0.03 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 3hrq h THR 1469CO -0.11 0.42 0.22 0.45 0.37 0.00 0.00 175.52 176.87 3hrq h HIS 1470N 0.99 0.70 -0.29 3.16 3.86 -0.69 0.41 115.15 123.30 3hrq h HIS 1470Ca 0.18 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 3hrq h HIS 1470Cb 0.54 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 3hrq h HIS 1470CO 0.04 0.57 0.14 0.82 0.86 0.00 0.00 177.93 180.36 3hrq h ILE 1471N 0.63 1.16 -0.84 2.45 2.04 -0.88 -2.16 117.51 119.91 3hrq h ILE 1471Ca 0.16 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.57 3hrq h ILE 1471Cb 0.14 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 3hrq h ILE 1471CO -0.02 0.16 0.53 -0.09 0.00 0.00 0.00 178.15 178.74 3hrq h ARG 1472N 0.34 1.12 -0.14 2.37 2.43 -0.49 -2.27 114.38 117.74 3hrq h ARG 1472Ca 0.10 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 3hrq h ARG 1472Cb 0.13 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3hrq h ARG 1472CO -0.01 0.76 -0.19 1.96 -1.51 0.00 0.00 179.97 180.98 3hrq h GLN 1473N 1.15 0.24 -0.39 0.20 4.20 -0.67 -0.39 115.11 119.44 3hrq h GLN 1473Ca 0.30 -0.07 -0.12 0.00 0.06 0.00 0.00 58.65 58.83 3hrq h GLN 1473Cb -0.09 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 3hrq h GLN 1473CO -0.06 0.43 -0.23 -0.07 -0.67 0.00 0.00 178.83 178.22 3hrq h LEU 1474N 0.22 0.87 -0.80 1.46 3.38 -0.85 -0.55 115.31 119.05 3hrq h LEU 1474Ca 0.04 -0.42 -0.11 0.00 0.09 0.00 0.00 57.88 57.48 3hrq h LEU 1474Cb 0.47 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3hrq h LEU 1474CO 0.03 1.11 -0.27 0.45 0.09 0.00 0.00 178.44 179.85 3hrq h HIS 1475N 0.64 0.68 -0.35 1.13 3.86 -1.01 -1.56 115.15 118.55 3hrq h HIS 1475Ca 0.08 -0.16 -0.11 0.00 -1.16 0.00 0.00 60.37 59.02 3hrq h HIS 1475Cb 0.80 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 3hrq h HIS 1475CO 0.06 0.81 -0.22 -0.44 0.86 0.00 0.00 177.93 179.00 3hrq h ASP 1476N 0.52 0.68 -0.52 2.45 3.32 -0.91 -0.85 116.42 121.11 3hrq h ASP 1476Ca 0.07 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 56.84 3hrq h ASP 1476Cb 0.74 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 3hrq h ASP 1476CO 0.06 0.90 0.15 1.23 -1.72 0.00 0.00 179.24 179.86 3hrq h GLY 1477N 0.99 0.88 1.00 2.75 0.00 -0.72 -2.61 103.07 105.36 3hrq h GLY 1477Ca 0.09 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 3hrq h GLY 1477CO 0.05 0.50 0.24 0.84 0.00 0.00 0.00 176.54 178.17 3hrq h HIS 1478N 0.72 0.92 0.00 5.60 -0.00 -1.02 0.15 115.15 121.53 3hrq h HIS 1478Ca 0.17 -0.07 0.00 0.00 -0.00 0.00 0.00 60.37 60.47 3hrq h HIS 1478Cb 0.29 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.43 3hrq h HIS 1478CO 0.02 0.74 0.00 0.00 -0.00 0.00 0.00 177.93 178.68 3hrq n ALA 1479N -2.37 1.12 0.14 5.26 0.00 -0.35 -0.55 120.51 123.76 3hrq n ALA 1479Ca 0.04 0.19 0.07 0.00 0.00 0.00 0.00 53.44 53.73 3hrq n ALA 1479Cb 0.17 -1.32 0.13 0.00 0.00 0.00 0.00 19.45 18.42 3hrq n ALA 1479CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hrq n LYS 1480N -2.25 1.96 -1.03 0.00 5.02 -0.75 -4.97 118.16 116.14 3hrq n LYS 1480Ca -0.01 -1.79 -0.01 0.00 -2.02 0.00 0.00 58.31 54.48 3hrq n LYS 1480Cb 0.06 -1.30 -0.00 0.00 -0.02 0.00 0.00 35.03 33.76 3hrq n LYS 1480CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hrq n GLY 1481N 0.76 0.48 0.13 0.72 0.00 0.28 -4.96 105.19 102.61 3hrq n GLY 1481Ca 0.11 -0.92 -0.20 0.00 0.00 0.00 0.00 46.02 45.01 3hrq n GLY 1481CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3hrq h GLN 1482N 0.10 0.31 -6.31 1.61 4.20 -0.90 -3.48 115.11 110.64 3hrq h GLN 1482Ca -0.02 -0.53 -0.61 0.00 0.06 0.00 0.00 58.65 57.55 3hrq h GLN 1482Cb 0.08 0.20 -0.17 0.00 0.30 0.00 0.00 27.48 27.89 3hrq h GLN 1482CO 0.03 1.20 -0.79 -0.06 -0.67 0.00 0.00 178.83 178.54 3hrq s PHE 1483N -2.58 2.19 0.25 2.96 0.08 -1.23 -4.94 117.98 114.71 3hrq s PHE 1483Ca -0.15 -0.38 -0.28 0.00 0.12 0.00 0.00 56.93 56.24 3hrq s PHE 1483Cb 0.06 -1.03 -0.09 0.00 -0.57 0.00 0.00 43.02 41.39 3hrq s PHE 1483CO 0.83 0.55 0.91 -1.64 -0.10 0.00 0.00 175.22 175.77 3hrq s MET 1484N -3.05 4.72 -0.16 0.44 -1.94 -1.14 -4.46 119.30 113.72 3hrq s MET 1484Ca 0.23 1.38 0.00 0.00 -1.71 0.00 0.00 55.69 55.59 3hrq s MET 1484Cb -0.06 -3.14 0.02 0.00 2.01 0.00 0.00 34.83 33.66 3hrq s MET 1484CO 0.11 0.46 -0.14 0.50 -0.01 0.00 0.00 175.02 175.94 3hrq s ARG 1485N -1.42 2.35 -0.17 2.03 3.52 -1.26 -0.59 118.95 123.41 3hrq s ARG 1485Ca 0.43 -0.61 -0.07 0.00 -0.13 0.00 0.00 55.73 55.34 3hrq s ARG 1485Cb -0.23 -2.19 -0.04 0.00 -1.56 0.00 0.00 34.95 30.93 3hrq s ARG 1485CO 0.29 -0.25 0.06 0.71 -0.81 0.00 0.00 175.30 175.29 3hrq s TYR 1486N 1.46 3.26 0.53 5.12 2.02 0.40 -4.94 117.35 125.19 3hrq s TYR 1486Ca 0.04 0.10 -0.15 0.00 -0.37 0.00 0.00 57.07 56.69 3hrq s TYR 1486Cb -0.13 -2.04 -0.07 0.00 -0.40 0.00 0.00 41.96 39.32 3hrq s TYR 1486CO -0.11 0.21 0.98 -0.80 -1.57 0.00 0.00 175.55 174.26 3hrq s ASN 1487N 0.17 6.54 0.08 2.29 0.01 -1.26 -1.75 114.94 121.02 3hrq s ASN 1487Ca 0.04 1.50 -0.18 0.00 -0.71 0.00 0.00 52.86 53.52 3hrq s ASN 1487Cb -0.12 -2.49 -0.05 0.00 0.41 0.00 0.00 41.25 39.01 3hrq s ASN 1487CO 0.01 -0.63 1.30 -0.09 -1.51 0.00 0.00 177.10 176.18 3hrq h ARG 1488N 0.71 -0.07 -0.35 -0.60 2.43 -1.50 -0.71 114.38 114.28 3hrq h ARG 1488Ca -0.46 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.70 3hrq h ARG 1488Cb 1.19 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 3hrq h ARG 1488CO 0.62 -0.05 0.18 0.87 -1.51 0.00 0.00 179.97 180.08 3hrq h LYS 1489N -0.08 0.48 -0.25 0.20 1.57 -1.89 -2.14 116.57 114.47 3hrq h LYS 1489Ca 0.07 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.65 3hrq h LYS 1489Cb 0.26 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3hrq h LYS 1489CO -0.46 0.37 -0.49 1.15 -0.57 0.00 0.00 179.45 179.44 3hrq h THR 1490N 0.49 1.30 -0.40 -0.16 2.02 -1.82 -1.08 112.91 113.27 3hrq h THR 1490Ca 0.13 -1.70 -0.05 0.00 0.77 0.00 0.00 66.41 65.56 3hrq h THR 1490Cb 0.03 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 3hrq h THR 1490CO -0.02 0.54 0.07 1.23 0.37 0.00 0.00 175.52 177.71 3hrq h GLY 1491N 0.93 0.70 1.68 2.16 0.00 -0.58 -0.73 103.07 107.25 3hrq h GLY 1491Ca 0.02 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 46.80 3hrq h GLY 1491CO 0.10 0.43 -0.28 -0.97 0.00 0.00 0.00 176.54 175.82 3hrq h TYR 1492N 0.51 0.41 -0.68 5.60 0.05 -1.36 -2.31 116.97 119.18 3hrq h TYR 1492Ca 0.12 -0.09 -0.03 0.00 0.05 0.00 0.00 58.73 58.78 3hrq h TYR 1492Cb 0.36 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.97 3hrq h TYR 1492CO 0.02 0.62 0.30 -0.22 -1.05 0.00 0.00 178.16 177.83 3hrq h LYS 1493N 0.32 1.00 -0.39 4.88 3.64 -0.84 -0.79 116.57 124.39 3hrq h LYS 1493Ca 0.05 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 59.29 3hrq h LYS 1493Cb 0.66 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 3hrq h LYS 1493CO 0.05 0.81 0.26 1.25 -2.27 0.00 0.00 179.45 179.55 3hrq h LEU 1494N 0.95 0.37 -0.46 5.20 5.85 -0.58 -2.06 115.31 124.58 3hrq h LEU 1494Ca 0.23 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3hrq h LEU 1494Cb 0.16 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3hrq h LEU 1494CO -0.02 0.25 -0.47 0.23 -0.34 0.00 0.00 178.44 178.09 3hrq n MET 1495N -4.48 0.66 0.12 1.25 2.81 -0.91 -4.58 117.12 111.99 3hrq n MET 1495Ca 0.04 -0.46 0.19 0.00 -1.81 0.00 0.00 57.70 55.65 3hrq n MET 1495Cb 0.14 -1.49 0.77 0.00 -0.71 0.00 0.00 33.22 31.93 3hrq n MET 1495CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3hrq h SER 1496N 1.13 0.00 1.44 7.83 4.64 -0.40 -0.29 113.55 127.90 3hrq h SER 1496Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3hrq h SER 1496Cb 0.57 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 3hrq h SER 1496CO 0.00 0.00 -0.23 0.77 -0.87 0.00 0.00 176.83 176.50 3hrq h SER 1497N 0.00 0.00 0.01 4.97 4.64 -1.81 -3.32 113.55 118.05 3hrq h SER 1497Ca 0.16 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.22 3hrq h SER 1497Cb 0.81 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.86 3hrq h SER 1497CO -0.00 0.23 -1.43 0.80 -0.87 0.00 0.00 176.83 175.56 3hrq n MET 1498N -3.22 0.58 -3.59 4.77 0.00 -0.27 -4.91 117.12 110.48 3hrq n MET 1498Ca 0.02 0.53 -0.16 0.00 0.00 0.00 0.00 57.70 58.08 3hrq n MET 1498Cb 0.55 -1.72 -0.07 0.00 0.00 0.00 0.00 33.22 31.98 3hrq n MET 1498CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3hrq s ALA 1499N -2.39 -1.50 0.26 -5.12 0.00 -0.33 -4.49 121.76 108.20 3hrq s ALA 1499Ca -0.29 1.10 0.09 0.00 0.00 0.00 0.00 51.96 52.86 3hrq s ALA 1499Cb 0.07 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 3hrq s ALA 1499CO 0.60 -0.34 0.01 1.03 0.00 0.00 0.00 175.76 177.06 3hrq s ARG 1500N -1.10 2.33 0.10 0.00 0.52 -0.19 -3.74 118.95 116.87 3hrq s ARG 1500Ca -0.11 -1.39 0.10 0.00 -0.52 0.00 0.00 55.73 53.81 3hrq s ARG 1500Cb -0.02 -2.19 -0.04 0.00 0.52 0.00 0.00 34.95 33.23 3hrq s ARG 1500CO 0.08 0.37 -0.24 -0.06 0.02 0.00 0.00 175.30 175.46 3hrq s PHE 1501N -2.30 2.10 0.29 -0.53 0.08 -1.26 -0.78 117.98 115.58 3hrq s PHE 1501Ca 0.31 -0.40 -0.30 0.00 0.12 0.00 0.00 56.93 56.67 3hrq s PHE 1501Cb -0.07 -1.17 -0.11 0.00 -0.57 0.00 0.00 43.02 41.10 3hrq s PHE 1501CO 0.20 0.24 1.61 1.21 -0.10 0.00 0.00 175.22 178.38 3hrq s ASN 1502N -1.80 6.36 0.44 1.36 3.84 -0.50 -4.84 114.94 119.79 3hrq s ASN 1502Ca 0.11 2.96 0.21 0.00 0.21 0.00 0.00 52.86 56.35 3hrq s ASN 1502Cb -0.10 -2.63 1.18 0.00 -0.55 0.00 0.00 41.25 39.14 3hrq s ASN 1502CO 0.04 -0.93 1.86 -0.65 -2.79 0.00 0.00 177.10 174.63 3hrq h PRO 1503N 4.92 0.30 0.00 0.43 0.11 -1.93 0.32 132.00 136.15 3hrq h PRO 1503Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3hrq h PRO 1503Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3hrq h PRO 1503CO 0.80 0.20 0.00 -0.25 -0.21 0.00 0.00 178.00 178.54 3hrq n ASP 1504N -4.47 0.42 -0.43 -2.05 8.00 -1.26 -1.97 116.55 114.79 3hrq n ASP 1504Ca 0.20 0.61 0.11 0.00 0.71 0.00 0.00 54.79 56.42 3hrq n ASP 1504Cb 0.77 -0.70 -0.01 0.00 -0.02 0.00 0.00 41.12 41.16 3hrq n ASP 1504CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3hrq n TYR 1505N -1.98 0.00 -2.17 1.24 4.02 0.11 -4.65 117.16 113.74 3hrq n TYR 1505Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.49 3hrq n TYR 1505Cb 0.19 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 3hrq n TYR 1505CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 3hrq n MET 1506N -0.21 3.58 0.00 -0.72 2.81 -0.83 -4.65 117.12 117.09 3hrq n MET 1506Ca 0.09 -3.33 0.11 0.00 -1.81 0.00 0.00 57.70 52.76 3hrq n MET 1506Cb 0.45 -2.96 0.07 0.00 -0.71 0.00 0.00 33.22 30.07 3hrq n MET 1506CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3hrq n LEU 1507N 4.04 2.58 -4.61 4.03 4.77 -1.26 -4.78 117.00 121.78 3hrq n LEU 1507Ca 0.45 -0.93 -0.43 0.00 -0.03 0.00 0.00 56.01 55.06 3hrq n LEU 1507Cb 0.35 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.42 3hrq n LEU 1507CO 0.82 0.45 0.97 -0.76 -1.33 0.00 0.00 177.39 177.54 3hrq s LEU 1508N -1.98 3.77 0.08 2.23 1.02 -1.26 -0.78 118.68 121.74 3hrq s LEU 1508Ca 0.23 0.61 -0.15 0.00 0.02 0.00 0.00 54.13 54.85 3hrq s LEU 1508Cb 0.18 -3.50 -0.19 0.00 0.02 0.00 0.00 46.19 42.70 3hrq s LEU 1508CO 0.35 -1.11 1.24 -0.78 0.02 0.00 0.00 176.35 176.07 3hrq h ASP 1509N 8.85 0.85 -4.96 2.29 3.58 -0.89 -3.37 116.42 122.77 3hrq h ASP 1509Ca -0.22 -0.67 0.03 0.00 0.42 0.00 0.00 57.03 56.59 3hrq h ASP 1509Cb 1.06 -0.25 -0.11 0.00 1.72 0.00 0.00 39.33 41.75 3hrq h ASP 1509CO 1.09 1.39 0.28 -0.72 -2.88 0.00 0.00 179.24 178.39 3hrq s TYR 1510N -3.59 -0.41 -0.23 0.28 1.13 -1.15 -1.71 117.35 111.67 3hrq s TYR 1510Ca -0.11 0.15 -0.11 0.00 -1.41 0.00 0.00 57.07 55.59 3hrq s TYR 1510Cb 0.07 0.59 0.08 0.00 -1.10 0.00 0.00 41.96 41.60 3hrq s TYR 1510CO 0.89 -0.87 0.54 -1.17 -2.51 0.00 0.00 175.55 172.42 3hrq s LEU 1511N -2.75 -0.60 -0.21 -3.49 0.20 -0.72 -1.56 118.68 109.55 3hrq s LEU 1511Ca 0.04 1.21 -0.08 0.00 0.69 0.00 0.00 54.13 55.99 3hrq s LEU 1511Cb -0.02 1.83 -0.04 0.00 -0.43 0.00 0.00 46.19 47.53 3hrq s LEU 1511CO -0.07 -0.22 0.09 -0.69 -0.29 0.00 0.00 176.35 175.17 3hrq s VAL 1512N 1.84 4.78 -0.11 1.68 1.01 -0.03 -0.45 120.40 129.11 3hrq s VAL 1512Ca -0.08 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 61.91 3hrq s VAL 1512Cb -0.08 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 33.11 3hrq s VAL 1512CO -0.16 0.40 -0.22 -0.22 0.00 0.00 0.00 175.10 174.90 3hrq s LEU 1513N 0.87 2.05 -0.64 3.92 2.96 0.24 -1.94 118.68 126.15 3hrq s LEU 1513Ca 0.05 -0.56 -0.12 0.00 -0.22 0.00 0.00 54.13 53.27 3hrq s LEU 1513Cb -0.14 -1.38 0.16 0.00 0.50 0.00 0.00 46.19 45.34 3hrq s LEU 1513CO 0.03 0.11 0.56 0.21 -1.32 0.00 0.00 176.35 175.93 3hrq s ASN 1514N 0.59 6.19 0.44 3.68 2.47 0.69 -2.87 114.94 126.12 3hrq s ASN 1514Ca -0.13 -2.24 0.13 0.00 0.42 0.00 0.00 52.86 51.03 3hrq s ASN 1514Cb -0.17 -2.13 1.02 0.00 -1.45 0.00 0.00 41.25 38.52 3hrq s ASN 1514CO 0.04 -0.67 2.01 -0.33 -3.72 0.00 0.00 177.10 174.42 3hrq h GLU 1515N 8.21 0.39 -0.45 0.43 5.08 -1.94 -1.97 114.58 124.32 3hrq h GLU 1515Ca -0.11 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.33 3hrq h GLU 1515Cb 1.06 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 3hrq h GLU 1515CO 0.87 0.26 0.31 0.00 -1.00 0.00 0.00 179.01 179.45 3hrq h ALA 1516N 1.73 2.19 0.00 3.43 0.00 -1.95 -2.57 119.26 122.08 3hrq h ALA 1516Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hrq h ALA 1516Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hrq h ALA 1516CO -0.06 -0.30 -0.05 0.39 0.00 0.00 0.00 179.25 179.23 3hrq n GLU 1517N -4.45 1.56 -4.22 0.00 -0.58 -0.99 -4.94 120.64 107.02 3hrq n GLU 1517Ca 0.07 -2.04 -0.32 0.00 -0.42 0.00 0.00 57.16 54.45 3hrq n GLU 1517Cb 0.40 -1.22 -0.06 0.00 -0.57 0.00 0.00 31.44 29.99 3hrq n GLU 1517CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3hrq n ASN 1518N -0.98 -0.58 -4.45 1.62 3.02 -0.86 -2.72 115.26 110.31 3hrq n ASN 1518Ca 0.09 -1.14 -0.34 0.00 -0.03 0.00 0.00 54.58 53.17 3hrq n ASN 1518Cb 0.53 -2.26 -0.13 0.00 -0.61 0.00 0.00 39.78 37.31 3hrq n ASN 1518CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3hrq s GLU 1519N -7.02 3.58 0.02 3.52 2.12 -0.80 -1.66 118.70 118.46 3hrq s GLU 1519Ca 0.25 -0.57 0.01 0.00 0.36 0.00 0.00 54.97 55.01 3hrq s GLU 1519Cb -0.14 -2.84 -0.02 0.00 0.26 0.00 0.00 34.13 31.39 3hrq s GLU 1519CO 0.96 0.22 -0.04 0.00 -0.54 0.00 0.00 175.26 175.85 3hrq s ALA 1520N 0.40 0.22 -0.11 6.30 0.00 0.19 -0.23 121.76 128.53 3hrq s ALA 1520Ca -0.06 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.33 3hrq s ALA 1520Cb -0.15 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.10 3hrq s ALA 1520CO 0.04 -0.11 -0.14 0.00 0.00 0.00 0.00 175.76 175.54 3hrq s ALA 1521N -1.33 1.63 0.07 0.00 0.00 -0.82 -1.60 121.76 119.71 3hrq s ALA 1521Ca -0.13 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.16 3hrq s ALA 1521Cb -0.09 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 3hrq s ALA 1521CO -0.01 -0.16 -0.11 0.45 0.00 0.00 0.00 175.76 175.93 3hrq s SER 1522N 1.15 1.37 -0.26 0.00 0.15 0.44 -0.85 113.70 115.69 3hrq s SER 1522Ca -0.04 -0.67 -0.07 0.00 0.70 0.00 0.00 55.95 55.87 3hrq s SER 1522Cb -0.14 -0.01 -0.02 0.00 -1.71 0.00 0.00 66.02 64.14 3hrq s SER 1522CO -0.04 -0.18 0.08 -0.83 1.20 0.00 0.00 173.24 173.47 3hrq s GLY 1523N -1.95 1.77 -0.17 9.45 0.00 -0.60 -0.71 107.32 115.11 3hrq s GLY 1523Ca -0.02 -1.17 -0.04 0.00 0.00 0.00 0.00 44.72 43.49 3hrq s GLY 1523CO 0.01 0.55 -0.03 -1.34 0.00 0.00 0.00 173.10 172.30 3hrq s VAL 1524N 1.61 3.92 -0.31 1.40 -7.23 -0.16 -0.15 120.40 119.48 3hrq s VAL 1524Ca 0.06 -0.34 0.03 0.00 -1.81 0.00 0.00 61.98 59.92 3hrq s VAL 1524Cb -0.15 -2.73 0.08 0.00 0.56 0.00 0.00 36.38 34.14 3hrq s VAL 1524CO 0.04 0.48 -0.02 -0.62 -0.31 0.00 0.00 175.10 174.67 3hrq s ASP 1525N 0.51 4.64 0.09 4.85 -1.08 0.04 0.20 116.67 125.92 3hrq s ASP 1525Ca -0.03 -1.83 0.15 0.00 -0.52 0.00 0.00 52.55 50.33 3hrq s ASP 1525Cb -0.14 -1.60 0.66 0.00 -1.46 0.00 0.00 42.92 40.38 3hrq s ASP 1525CO 0.03 -0.30 1.47 0.49 0.52 0.00 0.00 175.17 177.38 3hrq n PHE 1526N 4.33 0.27 0.98 -5.34 3.72 -0.64 -1.80 117.46 118.97 3hrq n PHE 1526Ca -0.04 0.11 0.12 0.00 -0.05 0.00 0.00 57.45 57.60 3hrq n PHE 1526Cb 0.42 -0.68 0.57 0.00 -0.94 0.00 0.00 39.48 38.85 3hrq n PHE 1526CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3hrq n SER 1527N -1.75 0.00 0.00 4.37 3.41 -1.15 -3.21 113.62 115.30 3hrq n SER 1527Ca 0.02 0.33 0.13 0.00 -0.26 0.00 0.00 58.87 59.08 3hrq n SER 1527Cb 0.15 -0.44 0.60 0.00 -0.26 0.00 0.00 64.21 64.26 3hrq n SER 1527CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hrq n LEU 1528N -1.44 0.00 -4.32 1.04 4.77 -0.74 -4.85 117.00 111.45 3hrq n LEU 1528Ca 0.08 0.40 -0.17 0.00 -0.03 0.00 0.00 56.01 56.29 3hrq n LEU 1528Cb 0.27 -0.40 -0.10 0.00 -2.33 0.00 0.00 43.42 40.86 3hrq n LEU 1528CO 0.22 -0.05 -0.23 -0.83 -1.33 0.00 0.00 177.39 175.18 3hrq s GLY 1529N -2.81 1.87 -0.05 -0.72 0.00 -1.20 -4.92 107.32 99.50 3hrq s GLY 1529Ca 0.18 -1.80 -0.12 0.00 0.00 0.00 0.00 44.72 42.98 3hrq s GLY 1529CO 0.44 -1.59 0.31 -0.45 0.00 0.00 0.00 173.10 171.81 3hrq s SER 1530N -3.34 6.65 -0.35 1.64 0.15 -1.26 -5.01 113.70 112.18 3hrq s SER 1530Ca 0.37 0.77 0.15 0.00 0.70 0.00 0.00 55.95 57.93 3hrq s SER 1530Cb 0.07 -2.18 0.43 0.00 -1.71 0.00 0.00 66.02 62.62 3hrq s SER 1530CO 0.15 0.35 1.03 -1.54 1.20 0.00 0.00 173.24 174.43 3hrq n SER 1531N 1.94 0.43 -4.76 5.45 3.41 -1.26 -4.79 113.62 114.03 3hrq n SER 1531Ca -0.16 -2.73 -0.39 0.00 -0.26 0.00 0.00 58.87 55.33 3hrq n SER 1531Cb 0.53 -0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 3hrq n SER 1531CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3hrq s GLU 1532N -2.13 4.54 0.00 4.33 0.41 -1.26 -4.91 118.70 119.69 3hrq s GLU 1532Ca 0.27 1.73 0.00 0.00 -0.41 0.00 0.00 54.97 56.56 3hrq s GLU 1532Cb 0.43 -3.05 0.00 0.00 -1.78 0.00 0.00 34.13 29.72 3hrq s GLU 1532CO -0.01 0.14 0.00 0.41 -0.49 0.00 0.00 175.26 175.32 3hrq n GLY 1533N 1.02 0.82 3.29 -1.39 0.00 -1.26 -5.06 105.19 102.61 3hrq n GLY 1533Ca 0.00 -2.09 -0.32 0.00 0.00 0.00 0.00 46.02 43.61 3hrq n GLY 1533CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hrq s THR 1534N -1.08 2.14 0.28 2.61 -4.23 -1.26 -4.99 115.64 109.12 3hrq s THR 1534Ca 0.00 -1.04 -0.11 0.00 -1.18 0.00 0.00 61.69 59.36 3hrq s THR 1534Cb 0.00 -1.77 0.00 0.00 1.34 0.00 0.00 72.50 72.07 3hrq s THR 1534CO 0.00 0.57 0.51 -0.36 -0.54 0.00 0.00 174.62 174.80 3hrq s PHE 1535N -0.24 0.50 -0.20 3.99 0.08 -1.26 -1.98 117.98 118.87 3hrq s PHE 1535Ca -0.01 -0.86 -0.09 0.00 0.12 0.00 0.00 56.93 56.08 3hrq s PHE 1535Cb -0.13 0.19 -0.20 0.00 -0.57 0.00 0.00 43.02 42.30 3hrq s PHE 1535CO 0.03 -1.08 0.06 0.00 -0.10 0.00 0.00 175.22 174.13 3hrq n ALA 1536N -0.44 1.05 -3.44 5.36 0.00 -1.26 -4.84 120.51 116.94 3hrq n ALA 1536Ca -0.02 -0.78 -0.16 0.00 0.00 0.00 0.00 53.44 52.49 3hrq n ALA 1536Cb 0.62 -0.37 -0.11 0.00 0.00 0.00 0.00 19.45 19.58 3hrq n ALA 1536CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hrq s ALA 1537N -2.50 -0.53 -0.03 0.00 0.00 -1.26 -4.92 121.76 112.53 3hrq s ALA 1537Ca -0.30 0.33 -0.36 0.00 0.00 0.00 0.00 51.96 51.63 3hrq s ALA 1537Cb 0.08 -1.51 -0.15 0.00 0.00 0.00 0.00 23.12 21.55 3hrq s ALA 1537CO 0.64 -1.32 1.63 1.58 0.00 0.00 0.00 175.76 178.29 3hrq n HIS 1538N 5.33 2.02 -0.23 0.00 -0.00 -1.26 -4.50 115.22 116.58 3hrq n HIS 1538Ca -0.04 0.37 0.15 0.00 0.46 0.00 0.00 57.72 58.66 3hrq n HIS 1538Cb 0.49 -2.49 0.45 0.00 -0.12 0.00 0.00 29.99 28.32 3hrq n HIS 1538CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3hrq h PRO 1539N 6.65 0.51 -0.37 1.57 0.11 -1.94 -1.33 132.00 137.20 3hrq h PRO 1539Ca -0.47 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.45 3hrq h PRO 1539Cb 1.30 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3hrq h PRO 1539CO 0.89 0.34 -0.41 0.00 -0.21 0.00 0.00 178.00 178.61 3hrq h ALA 1540N 1.62 0.55 -0.27 -0.75 0.00 -1.89 -1.22 119.26 117.31 3hrq h ALA 1540Ca 0.44 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3hrq h ALA 1540Cb 0.89 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3hrq h ALA 1540CO -0.18 0.68 0.06 0.45 0.00 0.00 0.00 179.25 180.26 3hrq h HIS 1541N 0.75 0.45 -0.46 0.00 3.86 -1.61 -1.24 115.15 116.91 3hrq h HIS 1541Ca 0.05 -0.06 -0.11 0.00 -1.16 0.00 0.00 60.37 59.09 3hrq h HIS 1541Cb 1.01 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.34 3hrq h HIS 1541CO 0.07 0.52 -0.15 0.28 0.86 0.00 0.00 177.93 179.51 3hrq h VAL 1542N 0.26 1.27 -0.74 2.45 2.07 -1.34 -2.78 116.25 117.44 3hrq h VAL 1542Ca 0.08 -1.29 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 3hrq h VAL 1542Cb 0.30 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3hrq h VAL 1542CO 0.00 0.44 0.33 -0.78 0.02 0.00 0.00 177.57 177.59 3hrq h ASP 1543N 0.76 0.97 -1.00 0.57 3.58 -1.14 -2.08 116.42 118.08 3hrq h ASP 1543Ca 0.11 -0.12 0.08 0.00 0.42 0.00 0.00 57.03 57.52 3hrq h ASP 1543Cb 0.71 -0.25 -0.07 0.00 1.72 0.00 0.00 39.33 41.44 3hrq h ASP 1543CO 0.05 0.84 0.64 0.00 -2.88 0.00 0.00 179.24 177.89 3hrq h ALA 1544N 1.31 1.41 -0.36 -0.78 0.00 -0.97 0.92 119.26 120.80 3hrq h ALA 1544Ca 0.25 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3hrq h ALA 1544Cb 0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3hrq h ALA 1544CO -0.03 0.39 0.22 0.82 0.00 0.00 0.00 179.25 180.65 3hrq h ILE 1545N 1.13 1.11 0.00 0.00 2.04 -1.12 -2.26 117.51 118.41 3hrq h ILE 1545Ca 0.45 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 66.02 3hrq h ILE 1545Cb 0.24 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3hrq h ILE 1545CO -0.19 0.11 -0.20 0.71 0.00 0.00 0.00 178.15 178.58 3hrq h THR 1546N 0.47 0.52 -0.11 -0.27 1.35 -0.99 -2.85 112.91 111.03 3hrq h THR 1546Ca 0.13 -0.99 -0.01 0.00 -0.55 0.00 0.00 66.41 64.99 3hrq h THR 1546Cb -0.01 1.68 -0.01 0.00 -1.73 0.00 0.00 68.15 68.09 3hrq h THR 1546CO -0.03 0.19 0.02 1.56 -0.25 0.00 0.00 175.52 177.02 3hrq h GLN 1547N 0.00 0.15 -0.82 4.72 4.20 -0.25 -1.73 115.11 121.38 3hrq h GLN 1547Ca -0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3hrq h GLN 1547Cb 0.67 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.38 3hrq h GLN 1547CO 0.03 0.15 0.53 0.28 -0.67 0.00 0.00 178.83 179.15 3hrq h VAL 1548N 0.15 1.22 -0.19 -0.54 2.07 -1.44 0.18 116.25 117.70 3hrq h VAL 1548Ca 0.04 -0.42 -0.20 0.00 0.82 0.00 0.00 66.70 66.94 3hrq h VAL 1548Cb 0.08 0.02 0.01 0.00 -1.52 0.00 0.00 31.29 29.87 3hrq h VAL 1548CO -0.00 0.21 -0.66 0.00 0.02 0.00 0.00 177.57 177.15 3hrq h ALA 1549N 1.29 0.34 -0.74 1.67 0.00 -1.54 -1.86 119.26 118.41 3hrq h ALA 1549Ca 0.30 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3hrq h ALA 1549Cb -0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3hrq h ALA 1549CO -0.06 0.63 0.41 0.78 0.00 0.00 0.00 179.25 181.00 3hrq h GLY 1550N 0.52 1.11 0.90 0.00 0.00 -0.88 -2.22 103.07 102.50 3hrq h GLY 1550Ca -0.03 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 46.74 3hrq h GLY 1550CO 0.14 0.48 -0.05 -2.75 0.00 0.00 0.00 176.54 174.36 3hrq h PHE 1551N 1.02 0.67 -0.99 5.60 3.57 -0.65 -1.75 116.94 124.42 3hrq h PHE 1551Ca 0.26 -0.13 0.16 0.00 3.53 0.00 0.00 57.97 61.79 3hrq h PHE 1551Cb 0.03 -0.17 -0.10 0.00 2.79 0.00 0.00 35.95 38.51 3hrq h PHE 1551CO -0.00 0.76 0.60 0.00 -2.23 0.00 0.00 178.31 177.44 3hrq h ALA 1552N 0.82 1.57 0.12 2.41 0.00 -1.02 0.19 119.26 123.34 3hrq h ALA 1552Ca 0.09 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3hrq h ALA 1552Cb 0.52 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3hrq h ALA 1552CO 0.03 0.05 -0.06 0.52 0.00 0.00 0.00 179.25 179.79 3hrq h MET 1553N 0.84 -0.15 0.00 0.00 2.86 -1.23 -3.35 114.93 113.91 3hrq h MET 1553Ca 0.54 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.19 3hrq h MET 1553Cb 0.71 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.41 3hrq h MET 1553CO -0.34 0.33 0.00 -0.91 1.06 0.00 0.00 176.91 177.06 3hrq h ASN 1554N -0.86 0.00 0.18 1.22 -0.26 -1.07 -3.11 115.58 111.68 3hrq h ASN 1554Ca -0.02 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 3hrq h ASN 1554Cb 0.55 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.81 3hrq h ASN 1554CO 0.03 0.00 -0.09 0.00 -1.06 0.00 0.00 177.43 176.30 3hrq n ALA 1555N -1.99 2.76 -1.82 -0.83 0.00 0.65 -4.82 120.51 114.46 3hrq n ALA 1555Ca 0.02 -0.33 -0.41 0.00 0.00 0.00 0.00 53.44 52.72 3hrq n ALA 1555Cb 0.35 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.51 3hrq n ALA 1555CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3hrq s ASN 1556N -2.28 6.56 0.49 0.00 3.84 -1.18 -4.88 114.94 117.49 3hrq s ASN 1556Ca 0.33 2.79 0.19 0.00 0.21 0.00 0.00 52.86 56.38 3hrq s ASN 1556Cb 0.20 -2.64 1.22 0.00 -0.55 0.00 0.00 41.25 39.48 3hrq s ASN 1556CO 0.43 -0.75 2.01 -0.78 -2.79 0.00 0.00 177.10 175.22 3hrq h ASP 1557N 4.50 0.16 0.50 -4.21 3.58 -1.92 -1.22 116.42 117.80 3hrq h ASP 1557Ca -0.47 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.98 3hrq h ASP 1557Cb 1.22 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.24 3hrq h ASP 1557CO 0.75 0.10 -0.04 0.59 -2.88 0.00 0.00 179.24 177.76 3hrq n ASN 1558N -4.44 0.13 -4.56 2.28 5.03 -1.26 -4.71 115.26 107.72 3hrq n ASN 1558Ca 0.08 -0.29 -0.40 0.00 0.87 0.00 0.00 54.58 54.84 3hrq n ASN 1558Cb 0.43 -0.21 -0.10 0.00 -1.02 0.00 0.00 39.78 38.88 3hrq n ASN 1558CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3hrq s VAL 1559N -2.53 5.21 -0.67 2.41 1.01 -0.46 -5.03 120.40 120.33 3hrq s VAL 1559Ca 0.29 0.10 -0.19 0.00 0.00 0.00 0.00 61.98 62.18 3hrq s VAL 1559Cb 0.20 -3.75 0.12 0.00 0.00 0.00 0.00 36.38 32.95 3hrq s VAL 1559CO 0.46 0.00 0.80 -0.62 0.00 0.00 0.00 175.10 175.75 3hrq s ASP 1560N 1.72 6.30 0.00 3.32 -1.08 -1.26 -4.83 116.67 120.85 3hrq s ASP 1560Ca 0.11 -1.61 0.10 0.00 -0.52 0.00 0.00 52.55 50.63 3hrq s ASP 1560Cb -0.16 -2.32 0.57 0.00 -1.46 0.00 0.00 42.92 39.55 3hrq s ASP 1560CO 0.11 -1.09 1.06 2.30 0.52 0.00 0.00 175.17 178.08 3hrq n ILE 1561N 5.42 0.13 0.28 4.11 -5.35 -1.25 -0.79 119.36 121.91 3hrq n ILE 1561Ca -0.02 0.03 0.12 0.00 -0.27 0.00 0.00 62.75 62.62 3hrq n ILE 1561Cb 0.44 -0.88 0.14 0.00 -1.74 0.00 0.00 39.64 37.60 3hrq n ILE 1561CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3hrq h GLU 1562N 0.00 0.00 0.00 6.28 4.81 -1.97 -3.40 114.58 120.30 3hrq h GLU 1562Ca 0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 3hrq h GLU 1562Cb 0.02 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3hrq h GLU 1562CO 0.00 0.00 -1.22 1.63 -0.73 0.00 0.00 179.01 178.69 3hrq n LYS 1563N -2.72 0.09 -3.84 1.92 5.02 0.03 -4.63 118.16 114.04 3hrq n LYS 1563Ca 0.03 0.02 -0.13 0.00 -2.02 0.00 0.00 58.31 56.21 3hrq n LYS 1563Cb 0.51 -1.04 -0.14 0.00 -0.02 0.00 0.00 35.03 34.34 3hrq n LYS 1563CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3hrq s GLN 1564N -2.08 0.00 0.04 1.97 2.00 -0.45 -0.15 119.66 121.00 3hrq s GLN 1564Ca -0.05 0.08 0.00 0.00 -2.00 0.00 0.00 55.36 53.39 3hrq s GLN 1564Cb 0.01 -0.07 -0.03 0.00 0.80 0.00 0.00 33.01 33.73 3hrq s GLN 1564CO 0.09 -0.05 -0.04 0.14 -0.50 0.00 0.00 175.29 174.92 3hrq s VAL 1565N 0.33 0.28 -0.25 1.34 -7.23 -0.21 -3.84 120.40 110.81 3hrq s VAL 1565Ca -0.03 -1.35 -0.14 0.00 -1.81 0.00 0.00 61.98 58.65 3hrq s VAL 1565Cb -0.04 -0.89 -0.04 0.00 0.56 0.00 0.00 36.38 35.97 3hrq s VAL 1565CO -0.01 -0.69 0.32 -0.31 -0.31 0.00 0.00 175.10 174.10 3hrq s TYR 1566N -2.51 3.28 0.28 2.82 2.02 -1.26 -1.00 117.35 120.97 3hrq s TYR 1566Ca -0.04 0.38 0.10 0.00 -0.37 0.00 0.00 57.07 57.14 3hrq s TYR 1566Cb -0.02 -2.49 -0.05 0.00 -0.40 0.00 0.00 41.96 39.01 3hrq s TYR 1566CO -0.04 -0.13 -0.05 0.14 -1.57 0.00 0.00 175.55 173.90 3hrq s VAL 1567N 1.71 3.12 0.56 0.71 -7.23 -0.11 -4.86 120.40 114.29 3hrq s VAL 1567Ca 0.13 -2.05 -0.21 0.00 -1.81 0.00 0.00 61.98 58.05 3hrq s VAL 1567Cb -0.15 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 34.05 3hrq s VAL 1567CO 0.09 -0.37 1.32 0.20 -0.31 0.00 0.00 175.10 176.03 3hrq s ASN 1568N -3.64 5.26 0.00 4.85 0.01 -1.26 -0.48 114.94 119.68 3hrq s ASN 1568Ca 0.31 2.67 0.00 0.00 -0.71 0.00 0.00 52.86 55.13 3hrq s ASN 1568Cb -0.06 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 38.98 3hrq s ASN 1568CO 0.19 -1.57 0.00 1.57 -1.51 0.00 0.00 177.10 175.78 3hrq n HIS 1569N -1.15 0.00 -1.08 2.20 -0.00 -0.73 -4.67 115.22 109.78 3hrq n HIS 1569Ca 0.11 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.29 3hrq n HIS 1569Cb 0.46 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.33 3hrq n HIS 1569CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3hrq n GLY 1570N 2.50 0.16 3.52 1.57 0.00 -1.18 -2.29 105.19 109.48 3hrq n GLY 1570Ca 0.00 -1.34 -0.08 0.00 0.00 0.00 0.00 46.02 44.60 3hrq n GLY 1570CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3hrq s TRP 1571N -3.48 -0.35 0.01 1.61 -2.14 -0.88 -1.02 118.94 112.69 3hrq s TRP 1571Ca 0.00 0.18 -0.08 0.00 2.66 0.00 0.00 56.10 58.86 3hrq s TRP 1571Cb 0.00 0.56 -0.30 0.00 -3.10 0.00 0.00 33.47 30.63 3hrq s TRP 1571CO 0.00 -0.65 0.88 -0.44 -2.66 0.00 0.00 176.95 174.08 3hrq h ASP 1572N 2.00 0.55 -4.26 -2.66 3.32 -1.17 0.01 116.42 114.21 3hrq h ASP 1572Ca -0.24 -0.70 -0.09 0.00 0.02 0.00 0.00 57.03 56.02 3hrq h ASP 1572Cb 1.25 -0.18 -0.22 0.00 0.22 0.00 0.00 39.33 40.41 3hrq h ASP 1572CO 0.31 1.58 -0.06 -0.55 -1.72 0.00 0.00 179.24 178.80 3hrq s SER 1573N -7.21 -0.53 -0.11 6.45 0.15 -0.54 -1.03 113.70 110.89 3hrq s SER 1573Ca -0.10 0.89 -0.04 0.00 0.70 0.00 0.00 55.95 57.40 3hrq s SER 1573Cb 0.06 0.91 0.06 0.00 -1.71 0.00 0.00 66.02 65.33 3hrq s SER 1573CO 0.88 -0.30 0.20 0.12 1.20 0.00 0.00 173.24 175.34 3hrq s PHE 1574N -0.19 -0.26 -0.00 3.44 5.99 -1.02 -0.47 117.98 125.47 3hrq s PHE 1574Ca -0.04 0.68 0.04 0.00 0.00 0.00 0.00 56.93 57.62 3hrq s PHE 1574Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 43.02 42.77 3hrq s PHE 1574CO 0.03 -0.33 -0.14 -0.65 -0.00 0.00 0.00 175.22 174.13 3hrq s GLN 1575N 2.33 1.08 -0.13 10.12 -0.21 -0.73 -1.70 119.66 130.43 3hrq s GLN 1575Ca 0.03 -0.55 0.02 0.00 0.02 0.00 0.00 55.36 54.88 3hrq s GLN 1575Cb -0.12 -1.06 0.00 0.00 1.00 0.00 0.00 33.01 32.83 3hrq s GLN 1575CO -0.07 0.29 -0.19 0.42 -2.12 0.00 0.00 175.29 173.61 3hrq s ILE 1576N -0.43 2.37 -0.12 1.08 1.01 -1.26 -1.07 121.20 122.79 3hrq s ILE 1576Ca 0.05 -0.89 0.14 0.00 0.00 0.00 0.00 60.65 59.95 3hrq s ILE 1576Cb -0.06 -1.96 -0.21 0.00 0.01 0.00 0.00 42.46 40.24 3hrq s ILE 1576CO -0.00 0.54 0.36 -1.22 0.00 0.00 0.00 174.94 174.62 3hrq n TYR 1577N 3.82 0.00 -4.02 3.97 4.02 0.13 -4.91 117.16 120.18 3hrq n TYR 1577Ca -0.19 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.55 3hrq n TYR 1577Cb 0.52 -0.28 -0.15 0.00 -0.02 0.00 0.00 39.34 39.41 3hrq n TYR 1577CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 3hrq s GLN 1578N -2.90 0.27 0.44 -0.72 0.74 -1.07 -5.01 119.66 111.41 3hrq s GLN 1578Ca -0.04 -0.07 -0.23 0.00 0.05 0.00 0.00 55.36 55.07 3hrq s GLN 1578Cb 0.10 -0.31 -0.10 0.00 1.10 0.00 0.00 33.01 33.79 3hrq s GLN 1578CO 0.60 0.02 0.90 -0.35 -0.55 0.00 0.00 175.29 175.91 3hrq n PRO 1579N 3.29 1.12 -2.96 1.67 -0.04 -1.26 -4.87 135.00 131.95 3hrq n PRO 1579Ca -0.16 0.41 -0.44 0.00 -0.04 0.00 0.00 63.50 63.26 3hrq n PRO 1579Cb 0.57 -1.93 -0.01 0.00 -0.04 0.00 0.00 33.50 32.09 3hrq n PRO 1579CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hrq s LEU 1580N -0.16 5.13 0.06 1.53 1.43 -1.26 -5.00 118.68 120.40 3hrq s LEU 1580Ca 0.64 -2.72 -0.30 0.00 -1.03 0.00 0.00 54.13 50.72 3hrq s LEU 1580Cb -0.55 -2.39 -0.09 0.00 0.03 0.00 0.00 46.19 43.19 3hrq s LEU 1580CO 0.56 -0.82 1.86 -0.62 0.23 0.00 0.00 176.35 177.56 3hrq s ASP 1581N 3.01 6.48 0.00 2.29 -1.08 -1.26 -4.89 116.67 121.21 3hrq s ASP 1581Ca 0.39 2.63 0.11 0.00 -0.52 0.00 0.00 52.55 55.16 3hrq s ASP 1581Cb -0.04 -2.54 0.66 0.00 -1.46 0.00 0.00 42.92 39.53 3hrq s ASP 1581CO -0.03 -1.01 1.19 -0.46 0.52 0.00 0.00 175.17 175.38 3hrq n ASN 1582N 6.76 0.00 -0.25 -0.34 0.23 -1.26 -2.13 115.26 118.26 3hrq n ASN 1582Ca 0.19 -1.05 0.05 0.00 -0.53 0.00 0.00 54.58 53.23 3hrq n ASN 1582Cb 0.40 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.11 3hrq n ASN 1582CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3hrq n SER 1583N -0.75 1.29 -4.78 0.53 3.41 -1.26 -2.91 113.62 109.15 3hrq n SER 1583Ca 0.08 -1.15 -0.22 0.00 -0.26 0.00 0.00 58.87 57.33 3hrq n SER 1583Cb 0.04 0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 64.37 3hrq n SER 1583CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hrq s LYS 1584N -1.35 2.65 0.13 4.33 1.02 -0.91 -4.69 119.74 120.92 3hrq s LYS 1584Ca 0.09 -1.28 0.07 0.00 0.02 0.00 0.00 55.97 54.88 3hrq s LYS 1584Cb 0.08 -2.39 -0.04 0.00 -0.52 0.00 0.00 37.83 34.96 3hrq s LYS 1584CO 0.25 0.26 -0.08 -1.54 -0.92 0.00 0.00 175.35 173.33 3hrq s SER 1585N -3.85 4.48 0.14 2.83 1.04 -1.26 -1.63 113.70 115.45 3hrq s SER 1585Ca 0.36 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.38 3hrq s SER 1585Cb -0.06 -0.87 -0.04 0.00 0.10 0.00 0.00 66.02 65.15 3hrq s SER 1585CO 0.24 0.15 0.02 -0.31 0.98 0.00 0.00 173.24 174.32 3hrq s TYR 1586N -1.39 0.98 -0.15 5.02 2.02 0.13 -4.92 117.35 119.03 3hrq s TYR 1586Ca 0.23 -1.11 -0.04 0.00 -0.37 0.00 0.00 57.07 55.78 3hrq s TYR 1586Cb -0.10 -0.56 -0.03 0.00 -0.40 0.00 0.00 41.96 40.86 3hrq s TYR 1586CO 0.15 -0.36 -0.02 -0.65 -1.57 0.00 0.00 175.55 173.11 3hrq s GLN 1587N -3.97 3.60 -0.07 -0.62 1.11 -0.27 -0.98 119.66 118.46 3hrq s GLN 1587Ca 0.22 -0.47 0.05 0.00 0.01 0.00 0.00 55.36 55.16 3hrq s GLN 1587Cb 0.07 -2.94 -0.00 0.00 -1.01 0.00 0.00 33.01 29.13 3hrq s GLN 1587CO 0.01 0.33 -0.23 0.08 0.01 0.00 0.00 175.29 175.49 3hrq s VAL 1588N 0.14 1.94 -0.01 1.09 1.01 0.11 -0.04 120.40 124.63 3hrq s VAL 1588Ca 0.00 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.03 3hrq s VAL 1588Cb -0.13 -1.66 -0.00 0.00 0.00 0.00 0.00 36.38 34.59 3hrq s VAL 1588CO 0.02 0.54 -0.09 -0.47 0.00 0.00 0.00 175.10 175.10 3hrq s TYR 1589N 0.07 0.80 -0.09 5.22 5.04 -0.43 -0.42 117.35 127.54 3hrq s TYR 1589Ca -0.09 -0.16 -0.20 0.00 -2.44 0.00 0.00 57.07 54.17 3hrq s TYR 1589Cb -0.15 -0.53 0.05 0.00 0.35 0.00 0.00 41.96 41.68 3hrq s TYR 1589CO 0.05 -0.03 0.49 -0.08 -1.34 0.00 0.00 175.55 174.64 3hrq s THR 1590N -0.12 0.02 -0.39 4.34 -1.32 -0.63 -1.26 115.64 116.29 3hrq s THR 1590Ca 0.02 -0.16 0.01 0.00 -1.21 0.00 0.00 61.69 60.35 3hrq s THR 1590Cb -0.04 -0.75 0.12 0.00 -1.51 0.00 0.00 72.50 70.32 3hrq s THR 1590CO -0.00 -0.09 0.18 -0.75 -2.21 0.00 0.00 174.62 171.75 3hrq s LYS 1591N -0.66 1.09 0.11 7.08 2.20 -1.26 -0.64 119.74 127.66 3hrq s LYS 1591Ca -0.08 -1.68 -0.13 0.00 -0.36 0.00 0.00 55.97 53.72 3hrq s LYS 1591Cb -0.03 -2.23 -0.13 0.00 -1.51 0.00 0.00 37.83 33.93 3hrq s LYS 1591CO 0.04 -1.10 1.35 0.52 -0.36 0.00 0.00 175.35 175.80 3hrq h MET 1592N 7.21 0.81 0.00 4.03 2.86 -1.43 -3.41 114.93 124.99 3hrq h MET 1592Ca -0.05 -0.59 0.00 0.00 -2.06 0.00 0.00 59.70 57.01 3hrq h MET 1592Cb 0.96 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.72 3hrq h MET 1592CO 0.47 1.21 0.00 0.41 1.06 0.00 0.00 176.91 180.06 3hrq n GLY 1593N 0.54 -2.45 0.16 8.32 0.00 -1.10 -4.49 105.19 106.16 3hrq n GLY 1593Ca -0.06 -1.61 -0.05 0.00 0.00 0.00 0.00 46.02 44.30 3hrq n GLY 1593CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3hrq h GLN 1594N 0.00 -0.29 0.00 1.61 1.08 -1.92 -3.45 115.11 112.14 3hrq h GLN 1594Ca 0.00 0.02 0.07 0.00 -1.45 0.00 0.00 58.65 57.29 3hrq h GLN 1594Cb 0.00 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 3hrq h GLN 1594CO 0.00 -0.17 -0.09 0.00 -0.95 0.00 0.00 178.83 177.62 3hrq n ALA 1595N -2.75 -0.65 0.00 3.87 0.00 -1.26 -4.92 120.51 114.80 3hrq n ALA 1595Ca -0.04 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3hrq n ALA 1595Cb 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.36 3hrq n ALA 1595CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3hrq n ASN 1598N -1.99 0.00 -0.00 0.00 6.94 -1.26 -4.88 115.26 114.07 3hrq n ASN 1598Ca 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 54.58 54.66 3hrq n ASN 1598Cb 0.11 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.40 3hrq n ASN 1598CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 3hrq n ASP 1599N -0.39 0.73 -4.46 0.53 2.03 -1.26 -5.00 116.55 108.74 3hrq n ASP 1599Ca 0.00 -0.71 -0.27 0.00 0.52 0.00 0.00 54.79 54.33 3hrq n ASP 1599Cb 0.00 1.27 -0.11 0.00 -0.72 0.00 0.00 41.12 41.56 3hrq n ASP 1599CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hrq s LEU 1600N -3.40 2.57 0.04 -2.67 1.02 -1.26 -1.57 118.68 113.41 3hrq s LEU 1600Ca 0.03 -0.79 0.05 0.00 0.02 0.00 0.00 54.13 53.44 3hrq s LEU 1600Cb 0.15 -1.30 -0.02 0.00 0.02 0.00 0.00 46.19 45.04 3hrq s LEU 1600CO 0.86 0.12 -0.14 0.68 0.02 0.00 0.00 176.35 177.89 3hrq s VAL 1601N -1.65 1.10 0.04 -1.59 -7.23 -0.44 -4.81 120.40 105.81 3hrq s VAL 1601Ca 0.22 -1.03 -0.05 0.00 -1.81 0.00 0.00 61.98 59.31 3hrq s VAL 1601Cb -0.08 -1.01 -0.01 0.00 0.56 0.00 0.00 36.38 35.84 3hrq s VAL 1601CO 0.11 -0.02 0.09 -1.38 -0.31 0.00 0.00 175.10 173.58 3hrq s HIS 1602N -0.90 0.23 0.04 2.82 -3.43 -1.26 -1.26 115.29 111.53 3hrq s HIS 1602Ca 0.01 -0.57 -0.28 0.00 -0.80 0.00 0.00 55.06 53.41 3hrq s HIS 1602Cb -0.08 -0.16 0.10 0.00 -1.43 0.00 0.00 32.58 31.01 3hrq s HIS 1602CO 0.01 -0.38 1.20 0.20 -2.00 0.00 0.00 174.74 173.77 3hrq s GLY 1603N -2.26 -0.32 0.12 -1.38 0.00 -0.65 -4.73 107.32 98.10 3hrq s GLY 1603Ca -0.03 0.45 0.02 0.00 0.00 0.00 0.00 44.72 45.15 3hrq s GLY 1603CO -0.06 0.64 0.26 0.99 0.00 0.00 0.00 173.10 174.93 3hrq s ASP 1604N -3.06 6.34 -0.08 1.64 1.01 -1.26 -0.31 116.67 120.95 3hrq s ASP 1604Ca 0.15 0.20 -0.00 0.00 0.71 0.00 0.00 52.55 53.61 3hrq s ASP 1604Cb 0.03 -1.92 0.02 0.00 1.01 0.00 0.00 42.92 42.06 3hrq s ASP 1604CO -0.02 0.09 -0.04 -0.69 0.21 0.00 0.00 175.17 174.72 3hrq s VAL 1605N -1.67 0.68 0.02 -1.27 1.01 -0.14 -4.00 120.40 115.03 3hrq s VAL 1605Ca 0.35 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.26 3hrq s VAL 1605Cb -0.12 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 3hrq s VAL 1605CO 0.28 0.30 -0.07 0.54 0.00 0.00 0.00 175.10 176.15 3hrq s VAL 1606N 1.59 3.60 -0.11 2.92 0.11 -0.39 -0.58 120.40 127.54 3hrq s VAL 1606Ca 0.01 -0.86 0.03 0.00 -2.93 0.00 0.00 61.98 58.22 3hrq s VAL 1606Cb -0.13 -2.58 0.00 0.00 -1.53 0.00 0.00 36.38 32.14 3hrq s VAL 1606CO -0.05 0.34 -0.23 -0.69 -3.33 0.00 0.00 175.10 171.15 3hrq s VAL 1607N -1.04 2.09 0.21 2.04 1.01 -0.47 -1.31 120.40 122.93 3hrq s VAL 1607Ca 0.18 -1.00 0.10 0.00 0.00 0.00 0.00 61.98 61.26 3hrq s VAL 1607Cb -0.11 -1.81 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 3hrq s VAL 1607CO 0.09 0.56 -0.19 -0.76 0.00 0.00 0.00 175.10 174.80 3hrq s LEU 1608N 0.50 2.52 -0.49 3.92 1.43 0.94 -0.54 118.68 126.96 3hrq s LEU 1608Ca -0.15 -0.96 0.03 0.00 -1.03 0.00 0.00 54.13 52.03 3hrq s LEU 1608Cb -0.17 -0.92 0.15 0.00 0.03 0.00 0.00 46.19 45.28 3hrq s LEU 1608CO 0.05 -0.03 0.33 -0.62 0.23 0.00 0.00 176.35 176.32 3hrq s ASP 1609N -3.10 3.22 1.40 2.29 2.15 0.12 -1.11 116.67 121.64 3hrq s ASP 1609Ca 0.23 -3.04 0.00 0.00 0.43 0.00 0.00 52.55 50.16 3hrq s ASP 1609Cb -0.04 -0.96 0.00 0.00 -0.30 0.00 0.00 42.92 41.61 3hrq s ASP 1609CO 0.10 -0.19 0.00 0.61 -0.17 0.00 0.00 175.17 175.51 3hrq n GLY 1610N 2.97 2.23 0.73 2.66 0.00 -1.26 -1.76 105.19 110.76 3hrq n GLY 1610Ca 0.18 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.22 3hrq n GLY 1610CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hrq n GLU 1611N 5.71 1.89 -3.44 1.61 -0.58 -1.26 -4.95 120.64 119.63 3hrq n GLU 1611Ca 0.00 -1.47 -0.38 0.00 -0.42 0.00 0.00 57.16 54.89 3hrq n GLU 1611Cb 0.00 -1.47 -0.06 0.00 -0.57 0.00 0.00 31.44 29.34 3hrq n GLU 1611CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3hrq s GLN 1612N -2.12 4.10 -0.17 3.49 2.00 -0.72 -4.99 119.66 121.24 3hrq s GLN 1612Ca 0.28 0.39 -0.28 0.00 -2.00 0.00 0.00 55.36 53.75 3hrq s GLN 1612Cb 0.20 -3.31 -0.00 0.00 0.80 0.00 0.00 33.01 30.69 3hrq s GLN 1612CO 0.37 0.47 0.96 0.42 -0.50 0.00 0.00 175.29 177.01 3hrq s ILE 1613N -0.35 4.78 -0.25 -2.34 -1.09 -1.26 -0.70 121.20 119.99 3hrq s ILE 1613Ca 0.24 1.91 -0.03 0.00 -2.23 0.00 0.00 60.65 60.53 3hrq s ILE 1613Cb -0.16 -4.26 -0.14 0.00 -1.58 0.00 0.00 42.46 36.32 3hrq s ILE 1613CO 0.11 -0.06 -0.26 0.52 -1.23 0.00 0.00 174.94 174.03 3hrq n VAL 1614N 4.89 1.40 -3.69 2.92 0.31 0.29 -4.54 118.33 119.92 3hrq n VAL 1614Ca 0.09 -0.47 -0.08 0.00 -0.01 0.00 0.00 64.34 63.86 3hrq n VAL 1614Cb 0.48 -1.53 -0.02 0.00 -0.91 0.00 0.00 33.84 31.86 3hrq n VAL 1614CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hrq s ALA 1615N -2.48 -1.41 -0.24 3.52 0.00 -1.15 0.21 121.76 120.21 3hrq s ALA 1615Ca -0.34 0.05 -0.13 0.00 0.00 0.00 0.00 51.96 51.54 3hrq s ALA 1615Cb 0.10 0.82 0.07 0.00 0.00 0.00 0.00 23.12 24.12 3hrq s ALA 1615CO 0.52 -0.94 0.58 0.12 0.00 0.00 0.00 175.76 176.04 3hrq s PHE 1616N -3.77 -0.90 -0.21 0.00 5.36 -0.23 -1.37 117.98 116.86 3hrq s PHE 1616Ca 0.08 1.82 -0.07 0.00 -0.96 0.00 0.00 56.93 57.79 3hrq s PHE 1616Cb -0.04 0.50 -0.04 0.00 -0.34 0.00 0.00 43.02 43.11 3hrq s PHE 1616CO -0.01 -0.47 0.06 -0.06 -1.46 0.00 0.00 175.22 173.29 3hrq s PHE 1617N 1.62 3.17 -0.18 10.12 0.08 0.26 -1.77 117.98 131.27 3hrq s PHE 1617Ca -0.10 -0.13 -0.03 0.00 0.12 0.00 0.00 56.93 56.80 3hrq s PHE 1617Cb -0.07 -2.15 -0.01 0.00 -0.57 0.00 0.00 43.02 40.22 3hrq s PHE 1617CO -0.17 -0.07 -0.06 0.50 -0.10 0.00 0.00 175.22 175.32 3hrq s ARG 1618N 0.91 3.44 -0.59 0.44 3.52 0.38 -0.97 118.95 126.07 3hrq s ARG 1618Ca 0.04 -0.62 -0.03 0.00 -0.13 0.00 0.00 55.73 54.99 3hrq s ARG 1618Cb -0.14 -2.89 0.00 0.00 -1.56 0.00 0.00 34.95 30.37 3hrq s ARG 1618CO 0.03 0.00 0.43 0.41 -0.81 0.00 0.00 175.30 175.36 3hrq n GLY 1619N 4.20 0.29 3.72 8.12 0.00 -1.17 -1.46 105.19 118.88 3hrq n GLY 1619Ca -0.18 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 3hrq n GLY 1619CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hrq s LEU 1620N -3.50 4.37 -0.09 0.99 2.96 0.58 -2.38 118.68 121.60 3hrq s LEU 1620Ca 0.21 2.63 0.03 0.00 -0.22 0.00 0.00 54.13 56.78 3hrq s LEU 1620Cb -0.09 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 42.99 3hrq s LEU 1620CO 0.27 -0.83 -0.19 -0.89 -1.32 0.00 0.00 176.35 173.39 3hrq s THR 1621N 1.12 2.60 0.07 3.68 2.01 -0.19 -1.63 115.64 123.30 3hrq s THR 1621Ca 0.70 -0.85 0.09 0.00 0.31 0.00 0.00 61.69 61.95 3hrq s THR 1621Cb -0.44 -2.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.01 3hrq s THR 1621CO 0.31 0.55 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.78 3hrq s LEU 1622N 0.04 2.22 -0.07 4.42 1.43 -0.39 -1.78 118.68 124.54 3hrq s LEU 1622Ca -0.07 -0.63 0.05 0.00 -1.03 0.00 0.00 54.13 52.45 3hrq s LEU 1622Cb -0.15 -1.21 -0.01 0.00 0.03 0.00 0.00 46.19 44.85 3hrq s LEU 1622CO 0.05 0.22 -0.23 -0.60 0.23 0.00 0.00 176.35 176.02 3hrq s ARG 1623N -1.49 2.71 -0.18 1.70 3.52 0.37 -1.33 118.95 124.25 3hrq s ARG 1623Ca 0.12 -0.86 -0.27 0.00 -0.13 0.00 0.00 55.73 54.58 3hrq s ARG 1623Cb -0.10 -2.25 -0.01 0.00 -1.56 0.00 0.00 34.95 31.04 3hrq s ARG 1623CO 0.03 0.35 0.93 0.45 -0.81 0.00 0.00 175.30 176.26 3hrq s SER 1624N -0.08 7.05 0.06 -2.12 0.15 -0.61 -0.94 113.70 117.23 3hrq s SER 1624Ca -0.06 1.30 0.03 0.00 0.70 0.00 0.00 55.95 57.93 3hrq s SER 1624Cb -0.14 -2.50 -0.03 0.00 -1.71 0.00 0.00 66.02 61.64 3hrq s SER 1624CO 0.04 -0.50 -0.09 0.68 1.20 0.00 0.00 173.24 174.58 3hrq s VAL 1625N 2.48 0.71 0.30 4.45 -7.23 -0.17 -4.96 120.40 115.97 3hrq s VAL 1625Ca 0.42 -1.33 -0.29 0.00 -1.81 0.00 0.00 61.98 58.97 3hrq s VAL 1625Cb -0.16 -0.96 -0.10 0.00 0.56 0.00 0.00 36.38 35.72 3hrq s VAL 1625CO 0.11 -0.46 1.36 -2.84 -0.31 0.00 0.00 175.10 172.96 3hrq s PRO 1626N -2.14 4.31 0.22 4.82 0.02 -1.26 -1.05 135.00 139.92 3hrq s PRO 1626Ca -0.03 2.26 -0.09 0.00 0.02 0.00 0.00 61.00 63.16 3hrq s PRO 1626Cb -0.07 -3.09 0.18 0.00 0.02 0.00 0.00 34.50 31.55 3hrq s PRO 1626CO -0.00 -0.30 1.86 -0.09 -0.33 0.00 0.00 177.00 178.14 3hrq h ARG 1627N 4.07 1.14 -0.02 5.54 9.65 -0.81 -1.82 114.38 132.13 3hrq h ARG 1627Ca -0.48 -0.11 -0.00 0.00 -1.10 0.00 0.00 59.98 58.29 3hrq h ARG 1627Cb 1.22 -0.24 -0.00 0.00 -1.39 0.00 0.00 29.97 29.57 3hrq h ARG 1627CO 0.70 0.81 0.00 0.78 2.80 0.00 0.00 179.97 185.06 3hrq h GLY 1628N 1.15 0.03 0.54 2.80 0.00 -1.82 -2.37 103.07 103.40 3hrq h GLY 1628Ca 0.30 -0.02 0.07 0.00 0.00 0.00 0.00 47.33 47.68 3hrq h GLY 1628CO -0.05 0.02 0.28 0.00 0.00 0.00 0.00 176.54 176.78 3hrq h ALA 1629N 0.73 0.79 -0.39 3.60 0.00 -1.91 0.65 119.26 122.73 3hrq h ALA 1629Ca 0.00 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.04 3hrq h ALA 1629Cb 0.29 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 3hrq h ALA 1629CO 0.00 -0.11 -0.07 1.25 0.00 0.00 0.00 179.25 180.32 3hrq h LEU 1630N 0.50 -0.30 0.08 0.00 5.85 -1.24 0.10 115.31 120.30 3hrq h LEU 1630Ca 0.29 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 59.11 3hrq h LEU 1630Cb 0.28 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.53 3hrq h LEU 1630CO -0.24 -0.11 -0.04 -0.09 -0.34 0.00 0.00 178.44 177.63 3hrq h ARG 1631N 0.03 -0.10 -0.40 1.25 2.43 -0.71 -1.82 114.38 115.06 3hrq h ARG 1631Ca 0.19 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.43 3hrq h ARG 1631Cb 0.28 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.80 3hrq h ARG 1631CO -0.38 -0.06 0.06 0.28 -1.51 0.00 0.00 179.97 178.36 3hrq h VAL 1632N -0.11 0.77 -0.16 0.20 2.07 -0.32 0.04 116.25 118.73 3hrq h VAL 1632Ca -0.01 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 3hrq h VAL 1632Cb 0.09 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3hrq h VAL 1632CO 0.02 0.03 0.10 0.58 0.02 0.00 0.00 177.57 178.32 3hrq h VAL 1633N 0.18 1.08 -0.65 2.57 2.07 -0.88 -1.81 116.25 118.81 3hrq h VAL 1633Ca 0.19 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3hrq h VAL 1633Cb 0.24 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3hrq h VAL 1633CO -0.27 0.07 0.34 -0.07 0.02 0.00 0.00 177.57 177.67 3hrq h LEU 1634N 0.18 0.81 -0.15 2.57 3.38 -0.95 -0.96 115.31 120.19 3hrq h LEU 1634Ca 0.06 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hrq h LEU 1634Cb 0.04 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3hrq h LEU 1634CO -0.01 0.66 0.00 0.00 0.09 0.00 0.00 178.44 179.18 3hrq n GLN 1635N -4.37 0.10 0.00 1.13 6.02 -0.03 -5.07 117.38 115.17 3hrq n GLN 1635Ca 0.06 0.20 0.12 0.00 -0.01 0.00 0.00 57.00 57.38 3hrq n GLN 1635Cb 0.11 -1.65 0.20 0.00 1.02 0.00 0.00 30.24 29.92 3hrq n GLN 1635CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46