NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2860 8.3049 118.1950 55.2169 31.9171 175.8129 2 L 3.3331 8.0507 114.1579 54.7875 38.3125 173.5263 3 T 4.0083 8.2969 114.1366 64.1146 69.8346 174.3280 4 D 4.4442 7.7924 122.0082 51.1851 42.4725 173.3621 5 P 4.3139 0.0000 0.0000 66.1047 31.3549 177.6671 6 I 3.6331 8.0348 117.2948 64.4920 37.0194 177.8203 7 A 3.8709 8.6124 121.4025 55.5840 18.1770 179.2599 8 D 4.2390 7.7699 116.3988 57.4138 41.0333 178.0698 9 M 3.9801 8.2466 119.1377 58.6819 32.3309 178.2304 10 L 3.9249 8.5220 119.4431 58.0049 41.7033 179.7187 11 T 3.7991 7.7294 115.6124 66.7039 68.2147 176.9173 12 R 4.0068 8.4742 119.3256 58.1721 29.9561 179.0202 13 I 3.7379 7.2291 120.1763 64.0227 37.3876 177.6969 14 R 3.7339 7.6234 119.2182 59.7529 29.7217 178.3240 15 N 4.2995 8.3788 115.6449 55.9382 38.8059 177.0015 16 A 4.1709 7.4944 122.5347 55.0286 18.7710 179.7185 17 T 4.4847 7.7456 109.6705 64.4566 68.6858 176.5399 18 R 3.9292 7.6100 118.6296 57.4469 29.9569 177.3915 19 V 4.2716 6.5020 110.0261 60.2261 33.2698 174.5528 20 Y 2.9743 7.4467 115.2086 58.1562 35.9628 171.2098 21 K 4.0841 7.6985 119.3878 56.7343 33.1002 176.5149 22 E 4.4539 8.9135 124.8561 58.9384 30.5499 176.2432 23 S 4.9468 7.6526 110.4944 57.2253 66.8226 172.9052 24 T 4.3990 8.1942 112.5660 61.3289 70.8310 172.3328 25 D 5.3871 8.5551 127.8060 52.5869 43.3443 176.0983 26 V 4.2544 8.0679 114.9926 60.2476 34.0116 170.0930 27 P 4.5180 0.0000 0.0000 62.9691 32.0240 175.2064 28 A 4.8503 8.2449 124.0604 50.9129 20.9209 176.7004 29 S 4.6112 8.2072 113.3163 55.7127 66.0000 175.3646 30 R 3.9113 8.7006 122.2697 59.5339 30.0680 178.3612 31 F 4.5089 8.2334 119.9600 61.3982 39.3980 176.9606 32 K 3.5657 8.0525 117.6843 59.5064 31.9830 178.7805 33 E 3.4652 7.9217 119.1687 59.3011 29.0413 178.8281 34 E 4.0408 7.7849 117.6552 58.8133 29.9752 178.6068 35 I 3.7071 7.6036 120.1878 64.3530 37.1971 178.1446 36 L 3.8565 7.7448 119.2369 58.0955 41.2378 179.2564 37 R 4.1061 7.7604 118.2167 59.6691 29.7592 178.2534 38 I 3.9152 8.3057 119.2709 64.0143 37.5909 177.9751 39 L 4.1881 8.0709 119.0390 58.1586 41.3879 179.0960 40 A 4.3124 8.2837 121.9842 54.7255 18.2140 179.5820 41 R 4.1616 7.8661 116.5528 58.7687 30.2620 177.6728 42 E 4.3624 8.5652 116.4606 56.0165 29.9001 176.8918 43 G 3.8951 8.5399 109.5583 45.1564 0.0000 175.7245 44 F 4.2282 7.6655 117.9033 59.8632 38.7462 174.8994 45 I 4.6672 7.3086 112.5496 59.2688 40.4098 175.7479 46 K 4.0756 8.4487 120.0062 56.9414 32.2704 176.6930 47 G 4.2137 7.6602 104.9067 43.5184 0.0000 171.6954 48 Y 6.1784 7.8661 117.6509 54.5496 41.4608 174.0716 49 E 4.7080 8.5386 113.1234 55.5359 32.3565 175.4364 50 R 4.5517 8.8963 121.2125 56.9468 30.7374 176.0385 51 V 4.8199 8.8675 119.1265 60.0260 36.2176 173.9388 52 D 4.8765 8.4731 118.2358 53.6010 44.3107 174.9619 53 V 4.5738 8.5425 124.8767 62.3566 33.9927 174.7829 54 D 4.1978 9.9721 127.6191 55.4154 38.2775 174.9239 55 G 4.3726 8.6933 108.5081 45.2569 0.0000 174.4803 56 K 4.2297 7.7843 120.4007 54.2010 32.6407 174.1876 57 P 4.6641 0.0000 0.0000 64.2478 31.4489 174.9115 58 Y 5.0554 8.6083 118.2222 57.2688 43.3836 173.2236 59 L 5.2838 9.2123 120.5597 53.1057 45.3763 175.8825 60 R 4.6899 9.0602 124.0886 54.7010 31.9658 174.8826 61 V 4.4699 8.5287 127.7956 62.4391 33.3830 174.1148 62 Y 4.6267 9.0450 125.8000 56.3896 39.7579 175.8900 63 L 4.5336 8.1866 124.6236 53.8222 43.4536 175.9740 64 K 4.5086 7.7039 119.8290 55.2228 35.5783 174.4333 65 Y 4.9737 8.3445 122.2988 56.7003 43.2613 174.2301 66 G 4.5780 8.7329 109.0632 44.1904 0.0000 171.8977 67 P 4.5666 0.0000 0.0000 62.5136 31.7420 176.3951 68 R 4.0760 8.5964 121.7404 56.9835 30.7523 175.5278 69 R 4.7319 8.3007 120.4904 54.2535 33.4121 175.8713 70 Q 4.1884 8.3337 119.0048 56.2274 29.8285 175.8368 71 G 3.7788 8.5003 105.8185 43.7636 0.0000 171.2044 72 P 4.3517 0.0000 0.0000 62.4991 31.9140 176.0540 73 D 4.2841 8.4392 116.4738 54.8939 38.7159 171.0873 74 P 4.4548 0.0000 0.0000 64.2517 32.3777 177.4835 75 R 3.5274 7.7040 116.8803 54.4255 30.0537 174.0416 76 P 4.5411 0.0000 0.0000 63.1338 32.2124 174.8990 77 E 4.6254 8.6410 119.8695 55.4054 31.4734 175.1440 78 Q 4.8217 8.5738 122.7062 55.5296 29.8564 176.0611 79 V 3.9010 8.4695 120.0098 64.5473 32.1986 176.0846 80 I 4.2922 7.3312 121.2794 59.7927 36.2941 174.8171 81 H 4.3070 8.6999 122.9480 58.5504 29.3109 175.9389 82 H 4.5011 7.9866 118.1593 54.5455 33.4303 172.5397 83 I 4.5754 7.5977 125.0352 59.6311 40.6126 173.8181 84 R 4.5230 8.3383 129.3621 54.2402 33.6626 174.2363 85 R 4.1004 8.6128 126.6464 56.5431 30.1689 175.3811 86 I 3.9836 7.5564 127.2685 62.6207 38.0471 175.3517 87 S 4.3986 7.8836 114.6028 57.2873 63.1474 173.9635 88 K 4.7340 8.1027 126.4694 53.3600 35.2931 175.3467 89 P 4.3133 0.0000 0.0000 65.4615 31.3134 178.2581 90 G 3.6381 8.1059 107.7800 48.0429 0.0000 174.0894 91 R 4.3851 7.7295 122.5357 54.6585 32.6557 174.7606 92 R 4.1672 8.3797 124.5276 55.8490 31.3969 175.8086 93 V 4.3506 8.0178 118.5798 61.5059 35.2028 173.6190 94 Y 5.2735 8.3569 123.0459 56.3250 42.1315 175.0562 95 V 4.4736 9.1080 116.3171 59.3812 35.3899 175.9894 96 G 4.0345 9.0015 114.9309 44.8314 0.0000 174.7150 97 V 3.3004 8.5519 120.7990 64.5550 31.3776 178.7700 98 K 4.2834 7.9895 118.4445 59.4177 32.8331 177.9926 99 E 4.1308 9.2714 119.6114 58.6977 29.7149 177.0909 100 I 3.4480 6.9668 118.3783 59.6817 37.1975 173.7769 101 P 4.5718 0.0000 0.0000 62.6105 31.9468 176.7965 102 R 4.4725 7.9326 118.7272 53.1794 30.3168 174.2273 103 V 3.3645 8.2004 119.8074 64.6450 32.2137 175.1229 104 R 3.1534 9.0175 121.0467 59.3385 27.7596 176.1832 105 R 3.4109 8.2016 126.4408 57.0079 28.7325 174.8023 106 G 4.2777 8.2385 111.4997 46.2368 0.0000 174.8943 107 L 4.0796 7.9907 119.1069 57.2227 41.7675 177.8517 108 G 4.3024 7.4676 104.1806 45.1593 0.0000 173.4586 109 I 4.6535 8.4453 121.8454 60.2768 40.4701 175.0925 110 A 4.9527 8.5944 127.8941 50.7588 21.0932 175.5329 111 I 4.2258 8.1937 122.2065 62.1892 38.7015 175.3416 112 L 4.6368 8.3696 121.8676 55.1223 44.1846 173.2347 113 S 4.8913 8.9873 118.1623 57.5089 64.1113 172.9284 114 T 5.1213 8.6742 116.2858 59.5258 72.4770 174.7314 115 S 4.3409 8.9627 114.8412 59.8732 63.5036 174.4817 116 K 4.4729 7.4918 120.8772 55.6334 31.9810 176.2097 117 G 3.9010 7.5246 109.6820 45.0745 0.0000 170.4240 118 V 4.4865 8.2462 118.6806 61.8892 32.6424 175.9192 119 L 5.0844 8.5040 127.1954 53.3236 46.6175 175.0871 120 T 4.7061 8.2516 110.1386 59.8207 71.7090 174.1135 121 D 4.2958 8.8602 120.3260 56.9702 38.8817 179.6081 122 R 3.8021 7.5497 118.0716 58.2347 30.5019 178.1508 123 E 3.9455 7.9786 117.7001 59.7575 29.6539 179.4229 124 A 4.1596 8.2016 119.3690 54.0548 17.9969 179.1291 125 R 4.0329 7.9686 117.5251 58.5239 30.0507 178.0802 126 K 4.0725 7.7350 118.1174 58.4643 32.3134 177.8820 127 L 4.3833 7.5323 117.5370 53.8063 42.4843 176.2284 128 G 3.9002 7.7083 106.1254 46.7347 0.0000 173.8314 129 V 4.6171 7.9195 110.0992 59.3242 36.0014 176.0222 130 G 4.2230 8.3489 108.7929 45.0413 0.0000 171.8947 131 G 4.2784 8.0149 103.3510 46.2524 0.0000 171.6542 132 E 5.2940 8.3691 121.8278 55.1732 30.7214 176.8250 133 L 4.4487 8.3471 128.9949 55.0284 43.2451 176.7445 134 I 4.1234 8.3706 127.2042 62.7731 37.5098 175.5714 135 C 5.3208 7.3558 113.8612 58.2915 31.9450 171.4686 136 E 4.9578 7.7718 116.2088 55.2376 33.0388 174.5632 137 V 4.6620 8.9258 121.2238 61.0015 35.4066 175.0272 138 W 5.1334 8.4032 123.8529 57.0332 28.2811 174.5266 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 1 M 8.30 4.29 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 2 L 8.05 3.33 0.00 1.89 1.70 0.95 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.30 4.01 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 4 D 7.79 4.44 0.00 2.91 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.31 0.00 2.25 2.16 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 6 I 8.03 3.63 1.93 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.70 0.90 0.00 0.00 7 A 8.61 3.87 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 7.77 4.24 0.00 2.77 2.92 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 9 M 8.25 3.98 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 10 L 8.52 3.92 0.00 1.77 1.60 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.73 3.80 4.41 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 1.17 0.00 0.00 12 R 8.47 4.01 0.00 1.75 1.92 0.00 3.09 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 13 I 7.23 3.74 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.99 0.82 0.00 0.00 14 R 7.62 3.73 0.00 1.93 1.96 0.00 3.02 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 15 N 8.38 4.30 0.00 2.65 2.82 0.00 0.00 7.15 6.91 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 16 A 7.49 4.17 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.75 4.48 4.74 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 1.21 0.00 0.00 18 R 7.61 3.93 0.00 1.79 1.90 0.00 3.04 0.00 0.00 3.09 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 19 V 6.50 4.27 2.04 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 0.68 0.00 0.00 0.98 0.00 0.00 20 Y 7.45 2.97 0.00 2.88 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.70 4.08 0.00 1.77 1.78 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.39 7.81 22 E 8.91 4.45 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 23 S 7.65 4.95 0.00 3.18 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.19 4.40 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 25 D 8.56 5.39 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.25 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 0.72 0.00 0.00 0.96 0.00 0.00 27 P 0.00 4.52 0.00 2.02 2.10 0.00 3.77 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 2.16 2.54 0.00 28 A 8.24 4.85 1.21 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 0.00 0.00 0.00 29 S 8.21 4.61 0.00 4.02 3.95 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 30 R 8.70 3.91 0.00 1.86 2.07 0.00 3.27 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 31 F 8.23 4.51 0.00 3.00 3.01 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 32 K 8.05 3.57 0.00 1.79 1.72 0.00 1.87 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.50 7.81 33 E 7.92 3.47 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 34 E 7.78 4.04 0.00 2.10 1.92 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 2.34 2.52 0.00 35 I 7.60 3.71 1.72 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.69 0.78 0.00 0.00 36 L 7.74 3.86 0.00 1.29 1.31 0.64 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.76 4.11 0.00 2.13 2.21 0.00 3.13 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 38 I 8.31 3.92 2.06 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 1.55 0.79 0.97 0.00 0.00 39 L 8.07 4.19 0.00 1.72 1.89 1.02 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.28 4.31 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 4.16 0.00 1.79 2.22 0.00 3.27 0.00 0.00 3.25 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 42 E 8.57 4.36 0.00 2.26 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 43 G 8.54 3.90 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 0.00 0.00 0.00 44 F 7.67 4.23 0.00 3.27 3.05 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 0.00 0.00 0.00 45 I 7.31 4.67 2.14 0.00 0.00 0.98 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 0.92 0.96 0.00 0.00 46 K 8.45 4.08 0.00 1.88 1.91 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.53 7.81 47 G 7.66 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 0.00 0.00 0.00 0.00 48 Y 7.87 6.18 0.00 3.11 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.54 4.71 0.00 2.00 1.95 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 2.41 2.41 0.00 50 R 8.90 4.55 0.00 1.79 2.00 0.00 3.20 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.80 0.00 51 V 8.87 4.82 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 1.14 0.00 0.00 1.13 0.00 0.00 52 D 8.47 4.88 0.00 2.75 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.54 4.57 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.87 0.00 0.00 54 D 9.97 4.20 0.00 2.91 2.76 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 55 G 8.69 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.78 4.23 0.00 1.92 1.57 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.55 7.81 57 P 0.00 4.66 0.00 1.99 2.05 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.95 0.00 58 Y 8.61 5.06 0.00 2.90 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 9.21 5.28 0.00 1.59 1.62 0.76 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 60 R 9.06 4.69 0.00 1.92 1.99 0.00 3.23 0.00 0.00 3.01 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.23 0.00 61 V 8.53 4.47 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 0.90 0.00 0.00 0.93 0.00 0.00 62 Y 9.05 4.63 0.00 3.20 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 63 L 8.19 4.53 0.00 1.43 1.09 0.83 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.70 4.51 0.00 1.63 1.52 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.43 7.81 65 Y 8.34 4.97 0.00 3.02 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 8.73 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.57 0.00 2.09 2.09 0.00 3.83 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 68 R 8.60 4.08 0.00 1.80 1.86 0.00 3.11 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 69 R 8.30 4.73 0.00 1.86 1.77 0.00 3.22 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 70 Q 8.33 4.19 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.51 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 71 G 8.50 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.35 0.00 2.05 2.00 0.00 3.83 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 73 D 8.44 4.28 0.00 2.72 2.62 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 0.00 74 P 0.00 4.45 0.00 2.18 2.24 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 75 R 7.70 3.53 0.00 1.75 1.36 0.00 3.39 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.79 0.00 76 P 0.00 4.54 0.00 2.15 2.05 0.00 2.63 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 77 E 8.64 4.63 0.00 2.14 1.92 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 2.39 2.42 0.00 78 Q 8.57 4.82 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.72 0.00 0.00 0.00 0.00 0.00 2.43 2.29 0.00 79 V 8.47 3.90 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 1.02 0.00 0.00 0.99 0.00 0.00 80 I 7.33 4.29 1.78 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 1.32 0.84 0.63 0.00 0.00 81 H 8.70 4.31 0.00 3.12 3.34 0.00 5.89 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.99 4.50 0.00 1.93 1.40 0.00 5.75 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 83 I 7.60 4.58 1.58 0.00 0.00 0.67 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 0.63 0.69 0.00 0.00 84 R 8.34 4.52 0.00 1.62 1.54 0.00 3.14 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 85 R 8.61 4.10 0.00 1.77 1.79 0.00 3.31 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 86 I 7.56 3.98 1.85 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 1.28 0.96 0.89 0.00 0.00 87 S 7.88 4.40 0.00 3.76 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.10 4.73 0.00 1.75 1.64 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.51 7.81 89 P 0.00 4.31 0.00 2.17 2.19 0.00 3.76 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 1.98 1.97 0.00 90 G 8.11 3.64 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 0.00 0.00 0.00 91 R 7.73 4.39 0.00 1.74 1.73 0.00 3.07 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 92 R 8.38 4.17 0.00 1.64 1.68 0.00 3.51 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 93 V 8.02 4.35 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 0.89 0.00 0.00 0.85 0.00 0.00 94 Y 8.36 5.27 0.00 2.93 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.11 4.47 2.11 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 0.89 0.00 0.00 1.03 0.00 0.00 96 G 9.00 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 0.00 0.00 0.00 97 V 8.55 3.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.93 0.00 0.00 98 K 7.99 4.28 0.00 1.90 1.99 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.47 7.81 99 E 9.27 4.13 0.00 2.18 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 0.00 2.36 2.29 0.00 100 I 6.97 3.45 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.60 0.93 0.00 0.00 101 P 0.00 4.57 0.00 2.06 2.01 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 102 R 7.93 4.47 0.00 1.71 1.81 0.00 3.29 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 103 V 8.20 3.36 2.26 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 1.07 0.00 0.00 1.02 0.00 0.00 104 R 9.02 3.15 0.00 1.45 1.67 0.00 2.74 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.30 0.00 105 R 8.20 3.41 0.00 1.78 2.12 0.00 3.27 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 106 G 8.24 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.99 4.08 0.00 1.60 1.78 0.88 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.47 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.45 4.65 2.05 0.00 0.00 0.99 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 1.46 1.38 0.00 0.00 110 A 8.59 4.95 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 0.00 111 I 8.19 4.23 1.86 0.00 0.00 0.82 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 1.05 0.88 0.00 0.00 112 L 8.37 4.64 0.00 1.96 1.73 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.99 4.89 0.00 4.13 3.90 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 0.00 114 T 8.67 5.12 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 115 S 8.96 4.34 0.00 4.01 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 0.00 116 K 7.49 4.47 0.00 1.70 1.81 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.35 7.81 117 G 7.52 3.90 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 0.00 0.00 0.00 118 V 8.25 4.49 2.08 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 0.81 0.00 0.00 0.96 0.00 0.00 119 L 8.50 5.08 0.00 1.57 1.55 0.99 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.25 4.71 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 121 D 8.86 4.30 0.00 2.86 2.92 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 0.00 122 R 7.55 3.80 0.00 1.90 2.02 0.00 3.15 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 123 E 7.98 3.95 0.00 2.26 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 0.00 2.35 2.36 0.00 124 A 8.20 4.16 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 0.00 125 R 7.97 4.03 0.00 2.07 2.04 0.00 3.10 0.00 0.00 3.10 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 126 K 7.73 4.07 0.00 1.83 2.18 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.48 7.81 127 L 7.53 4.38 0.00 1.77 1.71 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 128 G 7.71 3.90 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 0.00 0.00 0.00 129 V 7.92 4.62 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 0.75 0.00 0.00 0.96 0.00 0.00 130 G 8.35 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 0.00 0.00 0.00 0.00 131 G 8.01 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.37 5.29 0.00 2.30 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 0.00 2.16 1.79 0.00 133 L 8.35 4.45 0.00 1.73 1.48 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 134 I 8.37 4.12 1.86 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.21 0.89 0.00 0.00 135 C 7.36 5.32 0.00 3.09 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 E 7.77 4.96 0.00 2.09 2.08 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 2.36 2.30 0.00 137 V 8.93 4.66 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 -0.18 0.00 0.00 0.74 0.00 0.00 138 W 8.40 5.13 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