NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.2859 8.1693 120.6292 54.4699 43.1130 175.3168 4 S 4.3096 8.4432 114.6567 57.5918 63.6439 173.2705 5 L 4.6794 9.0107 128.9333 54.2137 42.9410 177.5980 6 N 4.6154 7.9805 114.8316 53.4278 39.8708 174.5057 7 N 4.2122 8.5454 113.7893 54.3899 36.0458 175.1784 8 L 4.4077 7.9064 117.2101 54.5599 42.8339 176.8094 9 Q 4.6764 9.1181 120.6545 54.5891 31.9498 174.2255 10 N 4.3486 8.7347 112.0573 54.4497 35.9709 175.0546 11 I 4.2005 7.7331 117.4767 61.2284 38.4506 176.6326 12 I 4.4878 8.4872 127.2127 59.6546 40.2288 174.0268 13 Y 4.8536 8.6550 123.8991 56.7630 39.8048 175.4688 14 N 4.4004 8.9834 119.7911 52.5016 36.8061 173.1098 15 P 4.4545 0.0000 0.0000 62.4143 32.5999 176.7135 16 V 3.8141 8.3170 120.3381 62.8334 32.1751 175.1873 17 I 4.6217 8.0702 127.5239 58.5732 39.0001 173.6425 18 P 4.6075 0.0000 0.0000 62.9180 32.1503 175.1743 19 F 4.7141 8.9824 125.9442 56.4908 41.5338 174.4360 20 V 4.4624 7.6191 125.1075 61.0734 33.8617 174.4886 21 G 4.1332 8.8412 115.2576 44.2673 0.0000 171.0698 22 T 4.6330 8.4418 119.4183 63.2601 68.4019 174.3488 23 I 3.9316 8.7664 128.5603 60.2359 37.8425 175.6481 24 P 4.2012 0.0000 0.0000 64.7717 31.6189 174.9524 25 D 4.2892 6.3735 113.7635 52.1746 44.3960 173.7911 26 Q 4.1559 8.0626 122.0639 55.8240 29.4832 176.4539 27 L 4.6447 8.2266 125.0359 53.5508 40.4475 176.1764 28 D 4.7468 8.0761 122.6052 52.1072 42.4182 174.3292 29 P 4.5749 0.0000 0.0000 64.8568 31.6331 177.0461 30 G 4.0067 9.2764 111.6822 45.2264 0.0000 173.8328 31 T 4.6322 7.8278 110.3677 61.3679 70.7009 173.7018 32 L 5.0035 8.3979 121.4581 54.4916 44.7074 174.6975 33 I 4.6524 8.7437 120.6678 59.4187 40.5249 174.6254 34 V 4.7355 8.3959 126.9096 61.0640 34.2080 174.2283 35 I 4.8655 8.9764 128.4831 59.7259 40.6268 174.4856 36 R 4.9811 8.5172 126.7034 54.5337 33.0684 176.3394 37 G 3.2917 7.4772 107.5298 46.8395 0.0000 171.3379 38 H 4.7750 7.6608 113.5074 54.4596 32.3422 172.9598 39 V 4.5353 8.3394 112.5340 58.8631 34.3329 174.2628 40 P 4.7706 0.0000 0.0000 61.9817 32.1968 177.4122 41 S 4.1540 8.4750 112.9721 60.6796 62.9598 174.6185 42 D 4.6266 7.9211 118.5249 52.8732 39.5965 175.9467 43 A 4.2373 7.6591 123.6981 52.4087 19.2069 177.3974 44 D 5.0361 8.3927 121.0439 55.3160 43.6648 176.1992 45 R 5.2695 7.8510 112.6863 55.9414 32.4239 173.3704 46 F 5.2536 8.1433 114.5788 56.0930 42.0132 172.7971 47 Q 4.5103 9.4434 116.4490 54.5001 32.3640 173.7806 48 V 4.9801 8.6239 121.2223 61.3303 34.4940 173.9278 49 D 5.4070 9.5377 127.0763 52.5652 44.7233 174.6638 50 L 5.0723 9.2073 124.1179 53.8295 43.1089 175.6344 51 Q 5.0501 9.4307 123.6257 54.1330 32.3536 175.0673 52 N 4.8665 9.0320 122.2715 53.2861 38.3688 175.4610 53 G 3.9297 9.7706 114.5525 44.7256 0.0000 171.3838 54 S 4.6872 8.1766 110.1181 57.5129 63.8770 174.0155 55 S 4.1183 8.0384 115.9588 59.2943 62.3940 174.8918 56 V 3.7469 8.4483 126.2419 64.1675 32.0605 175.5479 57 K 4.6220 7.6524 119.9121 53.4957 34.2879 173.8075 58 P 4.4922 0.0000 0.0000 62.3507 31.8377 175.9407 59 R 4.0579 8.7864 119.9314 55.3288 30.3566 176.3203 60 A 4.1299 8.2147 127.7217 52.2502 19.0957 177.0181 61 D 4.4539 8.7818 121.1841 54.5504 42.6456 175.7443 62 V 4.6385 8.5326 122.0552 61.1309 33.1461 175.9158 63 A 4.2609 9.1116 131.6800 54.6454 19.3448 177.2767 64 F 4.8281 8.1966 118.1171 57.3313 42.6709 172.8233 65 H 5.2302 9.2318 127.7212 54.3613 31.8895 172.8677 66 F 4.3809 8.6641 128.8730 56.3324 41.6948 173.2545 67 N 4.7492 7.7443 125.1631 49.2932 39.9417 170.5708 68 P 3.9768 0.0000 0.0000 61.6730 32.9076 175.1005 69 R 4.6943 8.5630 122.6875 54.5526 33.1607 175.9932 70 F 4.6694 9.2780 121.4243 57.0296 40.6104 176.4121 71 K 3.9887 8.2793 121.4076 58.2919 34.0085 176.8303 72 R 3.4654 8.6876 122.8207 57.2397 30.3177 178.8619 73 A 4.0469 9.0224 133.2800 54.0854 18.8142 179.9027 74 G 4.0098 9.5744 100.0600 46.0806 0.0000 171.8174 75 C 4.6309 8.0722 113.0259 57.4392 33.8377 172.4920 76 I 4.4512 8.3079 119.5661 59.2888 40.2007 174.9350 77 V 4.4879 8.0873 127.1629 61.2984 33.5622 174.1806 78 C 5.6624 8.7888 125.1190 57.4758 31.7486 172.5282 79 N 5.2740 8.0372 119.1327 53.5817 42.5716 172.5441 80 T 5.3288 8.8100 115.8756 61.6810 73.0709 172.9079 81 L 4.7287 8.7588 127.4658 53.2733 44.3252 175.0680 82 I 4.7956 8.2230 126.6142 60.0027 41.0290 175.5730 83 N 4.0770 9.4800 123.9638 54.6576 36.5388 174.6102 84 E 3.6461 8.2519 111.1530 56.7299 27.6634 174.5988 85 K 4.5205 7.5197 118.6149 53.9453 34.8188 175.6963 86 W 4.6734 8.6182 123.8835 56.9859 29.6978 177.3377 87 G 4.1298 9.0069 112.5290 46.0795 0.0000 172.2757 88 R 4.6266 8.6238 120.3129 55.4370 30.8615 176.7284 89 E 4.5092 8.8803 122.3200 56.2746 31.2605 175.8163 90 E 4.7061 9.5079 121.5565 54.8833 32.0263 174.8434 91 I 4.6369 8.3676 125.5199 59.7105 39.4272 175.0909 92 T 4.4161 8.6899 124.2022 62.2364 69.8195 175.0774 93 Y 4.0742 8.6832 123.9173 59.0138 38.7832 175.5697 94 D 4.6174 7.9529 119.1119 52.9463 39.9749 174.0611 95 T 4.6077 7.9999 118.8528 59.2103 69.6829 172.2376 96 P 4.4950 0.0000 0.0000 63.3695 32.2096 176.2239 97 F 4.6175 7.6614 118.7392 57.4597 39.8015 174.9780 98 K 5.0340 8.7661 122.3532 54.5025 36.1372 176.0947 99 R 3.9584 8.7308 121.1403 57.8487 30.3903 177.0163 100 E 3.8001 9.1667 120.4657 56.4705 27.9720 173.9209 101 K 4.5387 7.8026 120.2220 54.5584 33.6304 175.9208 102 S 4.6115 8.5258 122.5663 58.1914 64.0214 173.4665 103 F 5.1786 8.3805 117.5109 55.0963 41.7227 173.6469 104 E 5.0215 9.6317 122.4808 54.8548 31.3434 174.3300 105 I 4.7948 9.3023 129.4524 60.1401 39.2228 175.1447 106 V 4.7179 8.7670 127.4457 61.1589 33.9824 174.1051 107 I 4.8414 8.8026 129.7092 59.9263 39.3144 174.1570 108 M 4.9543 9.1444 128.2793 53.7121 34.6590 174.6912 109 V 4.2206 8.6620 126.7257 62.1696 32.3294 175.4709 110 L 4.8439 8.4776 128.2239 52.3808 44.2518 177.4434 111 K 4.0978 8.6289 120.1448 59.3178 32.2288 177.0009 112 D 4.7990 7.7936 116.2327 54.1756 42.4387 175.2416 113 K 4.3548 7.0377 117.7967 55.8504 36.5173 174.5017 114 F 5.0285 8.9559 119.8673 56.4479 40.9837 174.8391 115 Q 5.1212 9.1576 123.7266 54.3155 31.8250 174.1916 116 V 4.9954 9.0394 125.8801 61.0479 34.3871 174.0207 117 A 5.2347 8.8700 128.6043 50.0801 22.7089 174.8803 118 V 4.6410 8.3819 119.6066 61.6459 34.7780 175.5953 119 N 3.9839 9.7729 125.6089 54.5268 36.6171 175.3275 120 G 3.9689 8.4324 102.4876 45.4845 0.0000 173.6293 121 K 4.5935 7.8264 119.0371 53.9287 35.1437 175.2941 122 H 4.3096 8.9356 122.4289 57.6038 30.2836 173.4186 123 T 4.5463 8.3614 122.0787 64.2355 70.3779 174.0868 124 L 4.4925 7.2090 118.3697 55.1797 43.5668 172.7680 125 L 5.3884 8.5878 118.6279 53.3434 45.3029 176.1437 126 Y 4.5452 8.8854 123.1723 56.1053 41.7478 174.5531 127 G 3.8146 8.2562 114.5290 46.0986 0.0000 172.4684 128 H 4.6398 8.4539 120.6372 55.8176 29.2332 175.8303 129 R 4.5495 8.8441 121.5496 56.0914 32.3272 176.2267 130 I 4.5565 7.7023 117.3230 58.6029 39.9690 175.4974 131 G 3.7408 8.7134 113.3143 45.3200 0.0000 172.6814 132 P 4.3757 0.0000 0.0000 65.2358 31.4856 178.1918 133 E 4.0866 8.1146 116.1253 58.5940 29.5029 177.7557 134 K 4.2153 7.9631 117.6846 57.3271 32.5585 176.9126 135 I 4.3163 7.5819 121.3973 61.1425 37.5378 175.2096 136 D 4.9718 9.0889 122.3102 52.9833 41.8199 174.9818 137 T 5.1597 7.8899 115.9307 61.9723 73.0959 172.1566 138 L 5.1307 9.5133 128.5312 53.4712 44.3240 175.0495 139 G 4.4889 9.3583 114.1922 44.4795 0.0000 172.0196 140 I 5.1940 8.3700 124.3972 59.6399 40.9777 174.2152 141 Y 5.0159 9.2612 123.2936 57.0823 42.8644 175.1900 142 G 4.2696 9.1043 106.5609 44.3205 0.0000 174.0806 143 K 4.4791 7.6021 118.8100 55.1803 30.3417 176.2110 144 V 4.2895 7.6571 121.9858 59.3056 35.1945 174.6901 145 N 4.6487 8.6611 122.5448 52.1967 39.8655 173.3859 146 I 4.3856 8.0025 128.0493 61.0436 38.4385 176.6418 147 H 4.5989 9.2575 125.5227 58.4447 29.8858 175.5128 148 S 4.9636 7.5534 110.0583 57.3233 66.2252 173.4244 149 I 4.7130 8.4188 121.7557 59.5840 40.6148 174.9206 150 G 4.4296 8.7426 112.6312 44.7971 0.0000 171.1030 151 F 5.1824 9.0257 117.5526 55.3994 43.6911 174.4270 152 S 4.9351 8.8266 117.0797 56.9250 64.1137 174.1176 153 F 5.0292 9.0163 124.7133 57.0978 40.3792 175.8311 154 S 4.3065 7.9251 120.6698 58.4598 63.0186 173.7134 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 3 L 8.17 4.29 0.00 1.66 1.71 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.44 4.31 0.00 4.06 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 9.01 4.68 0.00 1.63 1.68 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 6 N 7.98 4.62 0.00 2.72 2.75 0.00 0.00 7.23 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.55 4.21 0.00 2.88 2.92 0.00 0.00 6.98 7.85 0.00 0.00 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 L 7.91 4.41 0.00 1.63 1.58 0.86 0.86 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 9 Q 9.12 4.68 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.33 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 10 N 8.73 4.35 0.00 3.13 3.07 0.00 0.00 6.94 7.45 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 11 I 7.73 4.20 1.75 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.45 0.21 0.00 0.00 12 I 8.49 4.49 1.71 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.95 0.92 0.00 0.00 13 Y 8.65 4.85 0.00 2.87 2.83 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 14 N 8.98 4.40 0.00 2.83 2.86 0.00 0.00 6.98 7.63 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 15 P 0.00 4.45 0.00 2.10 1.85 0.00 3.96 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.61 0.00 16 V 8.32 3.81 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 0.85 0.00 0.00 0.97 0.00 0.00 17 I 8.07 4.62 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 1.47 1.17 1.00 0.00 0.00 18 P 0.00 4.61 0.00 2.18 2.30 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 19 F 8.98 4.71 0.00 3.22 2.86 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 0.00 0.00 0.00 20 V 7.62 4.46 1.94 0.00 0.00 0.00 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 0.93 0.00 0.00 21 G 8.84 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.44 4.63 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 1.17 0.00 0.00 23 I 8.77 3.93 1.90 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.98 1.00 0.00 0.00 24 P 0.00 4.20 0.00 1.98 2.05 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.74 0.00 25 D 6.37 4.29 0.00 1.58 1.54 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 26 Q 8.06 4.16 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.19 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 27 L 8.23 4.64 0.00 1.83 1.79 1.18 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.08 4.75 0.00 2.78 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.57 0.00 2.03 2.00 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 30 G 9.28 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 31 T 7.83 4.63 4.25 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 0.00 0.00 0.00 1.52 0.00 0.00 32 L 8.40 5.00 0.00 1.86 1.73 0.84 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.74 4.65 1.83 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 1.29 0.87 0.61 0.00 0.00 34 V 8.40 4.74 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.85 0.00 0.00 35 I 8.98 4.87 1.91 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 1.06 0.60 0.95 0.00 0.00 36 R 8.52 4.98 0.00 1.68 1.71 0.00 3.18 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 37 G 7.48 3.29 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 0.00 0.00 0.00 0.00 38 H 7.66 4.78 0.00 3.08 3.13 0.00 5.24 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.34 4.54 1.78 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 0.75 0.00 0.00 0.07 0.00 0.00 40 P 0.00 4.77 0.00 2.33 2.16 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.88 0.00 41 S 8.48 4.15 0.00 3.99 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 0.00 42 D 7.92 4.63 0.00 2.79 2.78 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 43 A 7.66 4.24 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.39 5.04 0.00 2.63 2.75 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 0.00 0.00 0.00 0.00 45 R 7.85 5.27 0.00 1.82 1.96 0.00 2.96 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 46 F 8.14 5.25 0.00 3.21 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 47 Q 9.44 4.51 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.73 0.00 48 V 8.62 4.98 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 0.96 0.00 0.00 1.12 0.00 0.00 49 D 9.54 5.41 0.00 2.92 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 9.21 5.07 0.00 1.68 1.77 0.97 0.97 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 51 Q 9.43 5.05 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 52 N 9.03 4.87 0.00 2.82 2.78 0.00 0.00 7.26 7.64 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 53 G 9.77 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.18 4.69 0.00 3.94 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 55 S 8.04 4.12 0.00 3.86 3.82 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 56 V 8.45 3.75 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 0.90 0.00 0.00 0.94 0.00 0.00 57 K 7.65 4.62 0.00 1.67 1.61 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.38 7.81 58 P 0.00 4.49 0.00 2.18 2.01 0.00 3.80 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 59 R 8.79 4.06 0.00 1.86 1.75 0.00 3.02 0.00 0.00 2.87 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.00 60 A 8.21 4.13 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.78 4.45 0.00 2.61 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.53 4.64 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 1.27 0.00 0.00 0.88 0.00 0.00 63 A 9.11 4.26 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 64 F 8.20 4.83 0.00 2.61 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 65 H 9.23 5.23 0.00 3.58 3.37 0.00 5.77 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.66 4.38 0.00 1.81 2.21 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 67 N 7.74 4.75 0.00 2.08 2.27 0.00 0.00 7.07 7.17 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 68 P 0.00 3.98 0.00 0.92 0.49 0.00 2.20 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 69 R 8.56 4.69 0.00 1.43 1.65 0.00 2.90 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.43 0.00 70 F 9.28 4.67 0.00 2.97 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.28 3.99 0.00 1.81 1.70 0.00 1.83 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.50 7.81 72 R 8.69 3.47 0.00 1.93 1.27 0.00 3.27 0.00 0.00 3.24 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 73 A 9.02 4.05 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.57 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 75 C 8.07 4.63 0.00 2.66 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 76 I 8.31 4.45 1.62 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.47 0.10 0.00 0.00 77 V 8.09 4.49 1.75 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 0.76 0.00 0.00 0.68 0.00 0.00 78 C 8.79 5.66 0.00 2.96 2.45 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 79 N 8.04 5.27 0.00 2.65 2.66 0.00 0.00 6.90 7.22 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 80 T 8.81 5.33 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 81 L 8.76 4.73 0.00 0.27 1.04 -0.67 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.22 4.80 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.74 0.90 0.00 0.00 83 N 9.48 4.08 0.00 2.82 2.82 0.00 0.00 7.07 7.68 0.00 0.00 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 E 8.25 3.65 0.00 2.05 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 2.11 2.24 0.00 85 K 7.52 4.52 0.00 1.86 1.66 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.33 7.81 86 W 8.62 4.67 0.00 3.17 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 87 G 9.01 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.62 4.63 0.00 1.77 1.93 0.00 3.24 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 89 E 8.88 4.51 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 90 E 9.51 4.71 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 91 I 8.37 4.64 1.60 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 1.17 0.49 0.08 0.00 0.00 92 T 8.69 4.42 4.13 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 0.00 0.00 0.00 1.23 0.00 0.00 93 Y 8.68 4.07 0.00 3.00 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 94 D 7.95 4.62 0.00 2.66 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 95 T 8.00 4.61 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 1.20 0.00 0.00 96 P 0.00 4.50 0.00 1.96 2.00 0.00 3.71 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.68 0.00 97 F 7.66 4.62 0.00 2.80 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.77 5.03 0.00 1.91 1.77 0.00 1.74 0.00 0.00 1.89 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.55 7.81 99 R 8.73 3.96 0.00 1.82 1.82 0.00 3.32 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.61 0.00 100 E 9.17 3.80 0.00 2.11 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 0.00 2.23 2.23 0.00 101 K 7.80 4.54 0.00 1.81 2.05 0.00 1.87 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.43 7.81 102 S 8.53 4.61 0.00 3.75 3.63 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 0.00 103 F 8.38 5.18 0.00 3.14 3.22 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 0.00 104 E 9.63 5.02 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 105 I 9.30 4.79 2.04 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.82 0.69 0.00 0.00 106 V 8.77 4.72 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 0.92 0.00 0.00 107 I 8.80 4.84 1.89 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.48 1.06 0.00 0.00 108 M 9.14 4.95 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 109 V 8.66 4.22 2.27 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 0.72 0.00 0.00 1.16 0.00 0.00 110 L 8.48 4.84 0.00 1.76 1.52 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 111 K 8.63 4.10 0.00 1.69 1.81 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.45 7.81 112 D 7.79 4.80 0.00 2.65 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.04 4.35 0.00 1.91 1.71 0.00 1.26 0.00 0.00 1.61 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.22 1.33 7.81 114 F 8.96 5.03 0.00 2.47 2.73 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 0.00 115 Q 9.16 5.12 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 116 V 9.04 5.00 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 0.76 0.00 0.00 0.94 0.00 0.00 117 A 8.87 5.23 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.38 4.64 1.89 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 0.77 0.00 0.00 0.80 0.00 0.00 119 N 9.77 3.98 0.00 2.85 2.83 0.00 0.00 7.10 6.97 0.00 0.00 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 G 8.43 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.83 4.59 0.00 1.75 1.67 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.47 7.81 122 H 8.94 4.31 0.00 3.08 3.26 0.00 5.87 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.36 4.55 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 1.30 0.00 0.00 124 L 7.21 4.49 0.00 1.81 1.78 1.23 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.59 5.39 0.00 1.57 1.61 0.94 0.79 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 0.00 126 Y 8.89 4.55 0.00 3.10 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 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 0.00 0.00 0.00 128 H 8.45 4.64 0.00 3.12 3.36 0.00 5.61 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.84 4.55 0.00 1.93 2.03 0.00 3.34 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 130 I 7.70 4.56 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.71 0.98 0.00 0.00 131 G 8.71 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 0.00 0.00 0.00 132 P 0.00 4.38 0.00 2.32 2.08 0.00 3.57 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 1.91 1.41 0.00 133 E 8.11 4.09 0.00 2.10 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 0.00 2.28 2.28 0.00 134 K 7.96 4.22 0.00 1.95 1.93 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.42 7.81 135 I 7.58 4.32 2.12 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.61 1.12 0.00 0.00 136 D 9.09 4.97 0.00 2.76 2.83 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 0.00 137 T 7.89 5.16 4.50 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 1.25 0.00 0.00 138 L 9.51 5.13 0.00 1.99 1.88 1.00 0.95 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 0.00 139 G 9.36 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.37 5.19 1.87 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.90 1.05 0.00 0.00 141 Y 9.26 5.02 0.00 2.91 2.83 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 0.00 142 G 9.10 4.27 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 0.00 143 K 7.60 4.48 0.00 1.90 1.75 0.00 1.83 0.00 0.00 2.07 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.37 7.81 144 V 7.66 4.29 1.57 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 0.67 0.00 0.00 0.34 0.00 0.00 145 N 8.66 4.65 0.00 2.61 2.46 0.00 0.00 7.10 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 I 8.00 4.39 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.17 0.82 0.00 0.00 147 H 9.26 4.60 0.00 3.05 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 S 7.55 4.96 0.00 3.50 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 0.00 149 I 8.42 4.71 1.54 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.46 0.47 0.00 0.00 150 G 8.74 4.43 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 0.00 0.00 0.00 151 F 9.03 5.18 0.00 3.03 2.34 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 0.00 152 S 8.83 4.94 0.00 3.77 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 F 9.02 5.03 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 0.00 154 S 7.93 4.31 0.00 3.96 3.84 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