NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5535 8.1927 116.7910 58.0260 64.5091 172.8016 3 S 4.3955 7.5019 116.5711 58.2133 69.2094 174.3640 4 T 3.8086 8.3610 110.6338 64.5661 69.7663 174.8634 5 A 4.0735 8.0102 123.8735 54.9821 18.8871 178.4026 6 L 4.0819 8.0064 115.4528 58.2302 41.9540 179.7878 7 E 4.2275 8.0917 116.0336 56.7903 28.9820 178.7088 *9 A 4.0816 8.1024 124.1678 52.3165 20.8173 180.0952 10 S 3.9576 8.0755 112.0655 61.7091 62.5970 176.8180 11 R 3.8316 7.4213 119.9781 59.4704 29.6967 178.2598 12 F 4.6977 7.5635 116.9882 60.6358 38.8164 177.6935 13 V 3.3903 7.7531 117.9632 65.9712 31.1850 177.3888 14 N 4.5987 7.9836 113.2381 54.6169 38.6211 176.7504 15 R 4.1517 7.7203 119.6962 56.9673 30.5639 175.5716 16 S 4.8105 7.3899 114.3152 56.0655 63.8807 172.8089 17 P 4.3566 0.0000 0.0000 65.5794 31.0346 178.5160 18 F 4.4809 8.3057 119.0421 61.4747 39.2526 176.4564 19 N 4.2508 7.9102 114.3567 56.7285 38.7050 177.2205 20 R 4.0768 8.2671 119.1094 59.0115 29.9493 178.8328 21 W 4.1581 8.3502 127.3497 60.4704 30.9473 177.4309 22 L 3.9411 8.3108 117.4537 53.5216 40.9265 173.0428 23 G 3.8309 7.3295 116.7556 44.7133 0.0000 173.4385 *25 S 4.2207 8.1556 118.2631 58.2687 65.1608 172.4986 26 V 4.3310 8.1188 120.1201 61.7949 31.7763 175.0876 27 L 4.4740 9.1675 128.5030 56.5515 42.8970 177.1449 28 E 4.8557 7.8994 115.9118 54.9148 34.3140 174.8859 29 A 4.9116 8.0158 124.9520 51.4063 22.3972 176.2538 30 G 4.0951 8.2220 110.1424 46.3128 0.0000 173.2624 31 E 3.9467 9.1606 118.2640 59.7123 29.5979 178.7005 32 Q 4.1491 8.0332 116.3172 57.1904 30.0496 176.7325 33 G 3.9094 6.1460 107.1891 45.0745 0.0000 171.5199 34 I 5.1298 8.5991 124.2436 59.1385 42.2515 174.9573 35 V 4.9301 8.9375 126.8916 61.2127 34.3874 174.2939 36 L 5.2318 9.2293 127.8438 52.9610 44.9656 175.6687 37 G 4.6313 8.8824 108.2682 44.4192 0.0000 172.0153 38 I 4.8016 8.5136 114.9903 58.7095 41.4163 174.1279 39 K 4.8823 8.5721 122.9809 54.6558 33.2765 176.6890 40 W 4.4204 9.1720 135.0000 57.4522 31.5392 175.4614 41 R 4.0634 6.7082 119.6544 54.0913 32.0881 175.6144 42 E 3.4360 8.1128 118.7706 59.5762 29.5768 179.5201 43 E 4.1247 7.6908 116.5849 58.8362 29.8239 178.0612 44 L 4.2060 7.5872 118.8921 56.6941 41.8844 177.2570 45 I 4.3889 7.3158 119.9078 61.3838 36.8757 174.8897 46 S 4.3290 8.4054 120.0284 58.6067 63.4402 173.4133 47 S 4.5841 8.2256 115.5422 56.1139 62.7196 173.7156 48 P 4.6736 0.0000 0.0000 65.0282 31.6920 177.6349 49 E 4.1544 8.2147 118.4978 59.3782 29.6960 178.0373 50 I 3.9103 7.3997 117.3007 61.9883 37.5064 176.1585 51 R 4.0148 8.4174 118.1955 57.1377 27.8914 176.4359 52 S 4.7316 7.8739 111.4579 58.2340 64.9679 173.6042 53 T 4.6496 9.1267 120.2780 63.5682 69.0666 174.1283 54 H 4.0705 9.4128 126.8364 56.5959 30.6296 176.6151 55 G 3.7606 8.8294 110.9304 47.6264 0.0000 176.2269 56 G 3.8029 8.5550 107.6611 47.7907 0.0000 175.7872 57 I 3.9363 7.7837 121.5493 64.3852 37.2081 178.4427 58 L 4.1005 8.1614 119.1610 57.8508 41.5452 179.3200 59 A 4.0715 8.6797 121.1411 55.4774 18.2419 179.7528 60 T 3.9885 8.2787 114.3124 66.8411 68.4874 176.8537 61 L 4.1012 7.9816 120.9274 57.5635 41.8025 179.5339 62 V 3.6205 7.8942 118.2838 66.0058 31.4397 177.6183 63 D 4.3841 8.3120 117.3789 57.3103 41.1338 177.7285 64 A 3.7765 8.3850 121.4181 55.2706 18.4420 179.2276 65 A 4.1585 8.2708 119.1826 55.4590 18.4356 180.1875 66 G 4.0062 8.0099 104.9815 47.4476 0.0000 175.3126 67 D 3.3700 7.8569 120.9012 57.0922 41.1752 178.1204 68 Y 4.5200 7.6545 116.5386 60.5243 37.6299 177.9694 69 A 4.0034 7.8875 121.5307 55.0299 18.6802 179.5213 70 V 3.5745 7.7445 116.5269 66.1075 31.6199 178.0846 71 A 4.1372 8.2211 122.2231 54.5994 17.9396 179.4937 72 L 4.2200 7.9366 116.6168 57.4732 41.6555 179.1125 73 K 4.1328 7.9253 117.8310 58.3033 32.6284 178.4926 74 T 4.3064 7.8006 108.6986 62.2996 69.3611 175.8773 75 G 4.1777 9.8402 109.2811 45.1343 0.0000 172.6671 76 H 4.5444 8.0008 114.4917 52.6971 31.6611 171.4214 77 P 4.1802 0.0000 0.0000 63.2392 31.7601 175.9882 78 V 4.6995 8.4269 114.1910 58.7284 35.0702 174.0683 79 P 4.5504 0.0000 0.0000 63.3750 32.9045 176.1196 80 T 4.6846 8.2731 118.5984 62.6251 71.0594 172.4531 *82 D 4.2236 8.0897 119.6366 53.6133 40.6010 173.0714 *84 H 4.9041 8.3020 116.9666 56.4381 31.2695 173.2163 85 V 4.7268 7.9144 123.4385 59.9429 34.1962 174.2124 86 D 4.7224 8.9160 124.4007 52.8376 43.0915 174.8104 87 Y 4.6160 8.3980 120.8288 57.2132 38.7304 174.7652 88 H 4.8869 8.9211 121.7285 57.0270 30.5500 175.8740 89 R 4.7155 7.8072 113.9037 53.8925 34.0998 174.9430 90 V 3.5164 8.4285 120.4349 63.2517 32.1085 175.6803 91 A 4.6532 8.4725 129.3385 50.7135 19.3651 176.6104 92 T 4.3888 8.2700 111.3607 61.1308 70.4311 172.6870 93 P 3.4095 0.0000 0.0000 61.6281 31.4135 176.2549 94 G 4.1908 7.2029 113.7879 44.1749 0.0000 171.8840 95 D 4.7591 8.0129 120.6807 54.1756 41.9162 175.8667 96 L 5.0744 8.2664 120.0139 53.0272 45.8080 175.3998 97 R 5.2129 9.0092 122.3975 54.5288 32.9827 174.4073 98 A 5.2460 9.1045 127.4758 50.2765 21.9799 174.6158 99 E 4.9251 9.2806 123.3835 55.2011 31.4661 175.7645 100 G 4.6600 9.3035 111.9752 44.5635 0.0000 171.5888 101 Q 5.0076 8.7463 119.8808 54.4634 32.4501 173.7935 102 V 4.1361 8.3870 121.9436 63.5018 31.8637 175.1128 103 I 4.2767 9.0289 128.9667 62.9434 38.4804 175.6325 104 H 5.0165 8.1248 120.5860 54.2085 33.4537 171.7101 105 F 5.0184 8.7136 126.4276 56.8379 41.6546 173.5670 106 G 4.1408 8.3589 116.6249 43.1846 0.0000 172.0690 107 K 3.9245 8.6184 117.5723 59.0185 32.2396 178.3394 108 R 4.2767 7.6671 115.0439 55.5637 33.4365 175.6421 109 F 5.5596 7.8903 115.8519 55.5115 43.0691 174.2342 110 A 5.3350 9.1464 122.1387 50.6940 22.9181 175.0348 111 T 5.2495 9.2773 117.4534 61.8575 71.6343 173.4867 112 A 5.2236 9.2076 126.0214 50.6329 23.2927 174.4638 113 H 5.6227 9.2269 116.3291 54.0766 32.3312 173.2992 114 A 5.4128 9.4712 122.5413 50.3455 23.1625 175.0969 115 R 4.9828 8.9027 117.4975 54.4414 34.3694 174.5996 116 V 4.7731 8.9499 124.2320 61.2745 33.6045 174.4300 117 L 5.2517 9.2110 127.7068 54.2609 45.5333 175.4372 118 D 4.2719 9.1099 123.8542 55.1109 37.5107 178.0032 *120 D 4.4549 9.2823 118.8728 53.0945 43.2390 176.1281 121 G 3.9180 8.4109 107.3180 45.5009 0.0000 173.1811 122 N 4.5190 8.5054 117.8192 51.9473 39.2571 174.4575 123 L 4.4863 8.4281 124.8507 55.3052 42.4683 176.2130 124 V 4.1890 9.1411 127.2357 64.9731 33.2282 175.0864 125 A 4.9795 7.7949 119.8653 51.6278 22.8785 174.7560 126 S 4.8437 7.8861 112.9822 57.3254 67.2052 173.6985 127 G 4.2303 7.7403 106.9931 46.5894 0.0000 171.4555 128 R 5.4390 8.5011 115.4370 54.9457 33.0611 174.4057 129 A 4.6577 8.7975 119.5952 50.7215 23.0181 174.8309 130 L 4.9165 8.0800 122.9740 53.6483 43.9113 175.3930 131 Y 5.0549 9.1957 123.1997 56.1307 42.0473 174.1318 132 L 4.9154 8.4294 124.3167 53.8170 43.3770 176.3697 133 I 4.0821 8.8606 128.8153 62.5352 36.6760 175.3486 134 R 4.6419 8.0623 131.4775 54.8340 30.7196 174.0418 135 A 4.1277 8.0798 119.9967 52.6970 18.9684 175.9622 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.19 4.55 0.00 3.88 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 7.50 4.40 0.00 3.85 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.36 3.81 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 5 A 8.01 4.07 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.01 4.08 0.00 1.79 1.67 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.09 4.23 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.35 0.00 *9 A 8.10 4.08 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.08 3.96 0.00 3.95 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.42 3.83 0.00 1.77 1.62 0.00 3.27 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 12 F 7.56 4.70 0.00 3.02 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.75 3.39 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.41 0.00 0.00 14 N 7.98 4.60 0.00 2.74 2.85 0.00 0.00 7.05 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.72 4.15 0.00 2.20 2.11 0.00 3.32 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 16 S 7.39 4.81 0.00 4.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.36 0.00 2.28 2.16 0.00 3.74 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 18 F 8.31 4.48 0.00 3.06 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 7.91 4.25 0.00 3.06 2.94 0.00 0.00 7.14 8.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.27 4.08 0.00 2.09 2.03 0.00 3.16 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.95 0.00 21 W 8.35 4.16 0.00 3.36 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.31 3.94 0.00 1.74 1.53 0.48 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.33 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *25 S 8.16 4.22 0.00 3.91 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.12 4.33 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.82 0.00 0.00 27 L 9.17 4.47 0.00 1.51 1.69 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.90 4.86 0.00 1.86 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 29 A 8.02 4.91 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.22 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 9.16 3.95 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 32 Q 8.03 4.15 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.15 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 33 G 6.15 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.60 5.13 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.67 1.02 0.00 0.00 35 V 8.94 4.93 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.94 0.00 0.00 36 L 9.23 5.23 0.00 1.64 1.57 1.14 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.88 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.51 4.80 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.97 0.90 0.00 0.00 39 K 8.57 4.88 0.00 1.52 1.73 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.46 7.81 40 W 9.17 4.42 0.00 3.33 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 6.71 4.06 0.00 1.62 1.49 0.00 2.21 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.03 0.00 42 E 8.11 3.44 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 43 E 7.69 4.12 0.00 2.08 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 44 L 7.59 4.21 0.00 1.48 1.61 0.78 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.32 4.39 2.05 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.70 1.05 0.00 0.00 46 S 8.41 4.33 0.00 3.73 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.23 4.58 0.00 3.90 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.67 0.00 2.25 2.20 0.00 3.83 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 49 E 8.21 4.15 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 50 I 7.40 3.91 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.48 0.92 0.00 0.00 51 R 8.42 4.01 0.00 1.93 2.12 0.00 3.16 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 52 S 7.87 4.73 0.00 3.93 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 9.13 4.65 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 54 H 9.41 4.07 0.00 3.42 3.25 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.83 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.56 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.78 3.94 2.16 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.33 1.01 0.00 0.00 58 L 8.16 4.10 0.00 2.10 1.84 1.18 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.68 4.07 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.28 3.99 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 61 L 7.98 4.10 0.00 2.02 1.78 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.89 3.62 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.93 0.00 0.00 63 D 8.31 4.38 0.00 2.96 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.38 3.78 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.27 4.16 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.01 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 7.86 3.37 0.00 2.56 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 7.65 4.52 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.89 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.74 3.57 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.85 0.00 0.00 71 A 8.22 4.14 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.94 4.22 0.00 1.76 1.75 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.93 4.13 0.00 1.34 1.11 0.00 1.12 0.00 0.00 0.96 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.15 1.34 7.81 74 T 7.80 4.31 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 75 G 9.84 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.00 4.54 0.00 3.16 3.31 0.00 5.29 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.18 0.00 1.93 1.95 0.00 3.21 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.45 0.00 78 V 8.43 4.70 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.71 0.00 0.00 79 P 0.00 4.55 0.00 2.16 2.20 0.00 3.95 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 80 T 8.27 4.68 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 *82 D 8.09 4.22 0.00 2.88 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *84 H 8.30 4.90 0.00 3.23 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.91 4.73 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.34 0.00 0.00 86 D 8.92 4.72 0.00 2.44 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 8.40 4.62 0.00 2.85 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 H 8.92 4.89 0.00 3.07 3.36 0.00 5.81 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 7.81 4.72 0.00 1.79 1.80 0.00 3.24 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 90 V 8.43 3.52 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.94 0.00 0.00 91 A 8.47 4.65 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 T 8.27 4.39 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 93 P 0.00 3.41 0.00 1.27 0.49 0.00 3.62 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.09 0.00 94 G 7.20 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.01 4.76 0.00 2.59 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.27 5.07 0.00 1.67 1.57 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 97 R 9.01 5.21 0.00 1.87 1.77 0.00 3.04 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 98 A 9.10 5.25 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 9.28 4.93 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 100 G 9.30 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.75 5.01 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 102 V 8.39 4.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.88 0.00 0.00 103 I 9.03 4.28 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.18 0.89 0.00 0.00 104 H 8.12 5.02 0.00 3.25 3.17 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.71 5.02 0.00 2.92 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.36 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.62 3.92 0.00 1.61 1.79 0.00 1.57 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.47 7.81 108 R 7.67 4.28 0.00 1.04 0.99 0.00 2.93 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.39 0.00 109 F 7.89 5.56 0.00 2.96 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 9.15 5.34 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 9.28 5.25 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 112 A 9.21 5.22 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 9.23 5.62 0.00 3.09 3.19 0.00 5.58 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 9.47 5.41 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.90 4.98 0.00 1.75 1.81 0.00 3.12 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 116 V 8.95 4.77 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.97 0.00 0.00 117 L 9.21 5.25 0.00 1.53 1.52 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 118 D 9.11 4.27 0.00 2.92 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *120 D 9.28 4.45 0.00 2.83 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.41 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.51 4.52 0.00 2.90 2.75 0.00 0.00 6.67 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.43 4.49 0.00 1.58 1.59 1.08 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 124 V 9.14 4.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.98 0.00 0.00 125 A 7.79 4.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 7.89 4.84 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 7.74 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.50 5.44 0.00 1.98 1.91 0.00 3.16 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 129 A 8.80 4.66 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 8.08 4.92 0.00 1.56 1.54 0.91 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 131 Y 9.20 5.05 0.00 2.99 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.43 4.92 0.00 1.79 1.64 0.81 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 133 I 8.86 4.08 1.81 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.65 0.89 0.00 0.00 134 R 8.06 4.64 0.00 1.80 1.50 0.00 3.22 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.31 0.00 135 A 8.08 4.13 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.