NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3376 8.3027 121.7403 56.1419 31.4017 173.8978 2 Q 4.6502 8.7725 128.7965 54.9496 29.7764 173.4791 3 L 4.7504 8.6223 127.3600 53.6285 44.4031 176.0881 4 T 4.1856 8.1630 111.4355 60.9363 70.6455 175.3707 5 K 3.3783 8.7627 122.0566 60.2145 31.9456 179.2031 6 C 4.4127 8.0255 115.4353 59.4273 38.4241 175.9168 7 E 3.9039 7.9836 120.4531 59.3697 29.0665 178.8105 8 V 3.5137 7.4525 117.7685 66.2170 31.2376 177.3227 9 F 3.9044 7.9587 119.0601 61.8068 38.9807 177.1391 10 R 4.1394 8.7163 117.4186 59.7333 29.8646 179.0920 11 E 4.1158 8.6483 116.5809 58.4302 29.6900 178.2488 12 L 4.3697 8.2176 118.4491 54.1957 41.9179 177.8901 13 K 3.6337 7.4439 122.5686 59.8254 32.0416 178.0392 14 D 4.5957 7.8087 115.1466 55.5181 41.3093 177.0495 15 L 4.0052 7.8561 119.5599 55.9273 41.9924 176.5820 16 K 3.8925 7.4287 119.8852 57.9025 32.3169 176.8433 17 G 3.9265 9.0014 113.9059 45.7643 0.0000 172.1923 18 Y 4.0495 8.5454 123.0432 58.3288 39.1200 176.0325 19 G 3.5407 8.6802 114.5248 46.1122 0.0000 173.5801 20 G 3.8467 7.9148 105.0121 45.8932 0.0000 173.9311 21 V 4.1527 7.5847 120.0095 60.7103 32.8560 175.9575 22 S 4.7620 8.6857 122.5049 57.7138 65.2764 175.5314 23 L 4.0823 8.3368 122.3215 57.7194 41.4449 178.0780 24 P 4.7033 0.0000 0.0000 65.5049 31.2778 178.4077 25 E 3.8075 7.8864 116.4171 59.2873 29.2566 179.4890 26 W 4.3539 7.8781 118.6444 59.4842 29.0089 178.6117 27 V 3.7153 8.5276 118.7047 66.3657 31.0088 176.9818 28 C 2.4500 7.5997 117.8401 59.5893 43.5449 175.9495 29 T 3.8181 7.6559 117.2250 66.6461 67.9483 177.0869 30 T 3.9082 8.3928 112.2579 64.5069 68.9398 176.2517 31 F 3.4415 8.5199 124.0899 61.5350 39.0453 177.0359 32 H 4.0824 7.8874 113.7974 58.5660 28.5675 177.8802 33 T 4.1389 7.9513 117.5252 66.1447 69.0160 176.2823 34 S 4.6789 8.8645 114.9087 57.0097 64.2761 175.4435 35 G 3.2717 7.5344 109.8513 46.0890 0.0000 173.6249 36 Y 3.7715 7.8449 114.2355 58.1249 35.2722 168.0928 37 D 5.1084 7.5550 120.1840 52.8756 41.3286 177.0483 38 T 4.0851 9.0288 119.0974 63.8810 69.4007 175.3511 39 Q 4.7790 8.4541 119.4482 55.3013 29.9375 175.8185 40 A 4.1293 8.0259 122.7751 52.7129 19.6425 177.1616 41 I 4.7845 8.1842 121.3250 59.6578 40.9217 174.7149 42 V 4.3443 8.3888 127.3720 61.0837 33.8146 174.1517 43 Q 5.0234 8.6116 126.3397 54.2737 31.1110 175.1680 44 N 4.5834 9.6546 121.9595 52.9081 40.4569 175.3272 45 N 3.4174 7.4556 123.1422 54.4697 39.6253 174.9924 46 D 4.8302 7.8724 114.8067 53.0729 41.1367 175.6646 47 S 4.8761 8.8494 115.1060 57.2715 66.5272 172.4422 48 T 5.0677 9.0135 114.7173 60.5269 71.0527 172.2617 49 E 5.4333 9.3541 126.4842 54.8390 33.5619 174.4837 50 Y 4.8694 8.7340 119.7696 57.4436 41.7254 177.1716 51 G 4.5635 9.6105 114.6049 44.8343 0.0000 172.9937 52 L 3.9332 8.6827 118.9524 57.2555 41.8446 179.1526 53 F 4.7802 8.1127 113.6048 57.1238 40.0923 175.1528 54 Q 3.7102 8.0295 118.9232 57.0715 26.4647 174.3478 55 I 4.1847 7.9149 119.2132 61.3728 38.5552 177.6126 56 N 5.4040 9.4534 125.3081 52.4312 39.1541 174.9184 57 N 5.5628 8.4672 116.5034 52.7409 38.0150 176.2289 58 K 4.4629 9.0167 121.9082 59.4702 32.6771 178.8806 59 I 4.2566 7.6954 109.8357 59.6258 39.8904 177.7684 60 W 4.4531 8.3272 122.6760 58.9286 29.6844 174.5889 61 C 5.7704 8.1073 111.7697 53.2498 40.2604 172.6515 62 K 4.8036 8.9217 119.8310 56.3222 34.2036 175.6799 63 D 4.5603 8.0769 120.7711 52.8071 41.8380 174.1831 64 D 4.4777 8.8498 117.0827 57.4158 41.2935 177.5069 65 Q 4.1269 8.3539 119.1854 58.8199 29.5258 176.4245 66 N 5.0323 8.1513 114.8026 50.6236 38.7990 172.3534 67 P 4.3274 0.0000 0.0000 65.4765 31.8942 177.5762 68 H 4.8279 7.7930 114.8895 54.6065 29.2826 175.0258 69 S 4.2331 7.8015 113.4620 58.8389 62.6481 174.6104 70 S 4.0707 8.2699 120.0603 59.1998 63.7236 173.4056 71 N 4.1574 8.1438 119.4617 54.4644 36.9187 175.0292 72 I 3.7311 8.2940 120.3331 64.8341 37.7004 177.6112 73 C 4.4938 8.8379 115.9009 57.3587 40.7716 172.7650 74 N 4.1312 8.2800 116.0853 53.2426 35.6907 173.6303 75 I 4.2893 8.2420 116.6861 59.6131 42.0171 173.1891 76 S 4.4904 8.2134 120.5138 58.0056 63.0747 175.6776 77 C 3.6907 9.0058 125.6604 60.0050 34.0559 176.0631 78 D 4.2884 7.7470 119.8707 57.6515 40.2305 179.2248 79 K 4.1349 7.3558 116.2309 58.1558 32.2910 177.6174 80 F 5.4471 7.7692 118.1123 57.4428 38.8608 176.7755 81 L 5.3162 8.0710 118.6460 53.7197 42.8116 176.3545 82 D 4.8014 7.8011 118.2415 52.3107 41.4638 175.5012 83 D 4.4177 8.5305 117.1180 55.6634 41.1624 176.1297 84 D 4.6464 8.2028 119.4930 53.0010 40.6282 176.4559 85 L 4.5798 8.2119 128.0414 55.1199 41.8243 178.6366 86 T 3.8278 8.1021 117.5868 67.0409 68.4943 175.8201 87 D 4.4346 8.0909 120.0613 56.2841 39.6759 177.7530 88 D 3.8301 8.3799 119.9429 57.3503 40.8977 178.8071 89 I 3.2295 8.0448 120.1431 64.5181 36.8272 178.3653 90 M 3.8648 7.6215 119.1821 58.4383 31.7810 178.0773 91 C 4.2030 8.0379 118.5744 59.6317 44.7676 175.4721 92 V 3.2722 7.4321 120.0963 66.0036 30.6667 178.2457 93 K 3.6386 7.5493 117.7745 59.2217 31.8623 179.3563 94 K 3.9555 7.5425 118.5506 59.5369 31.9893 179.3531 95 I 2.9045 7.3670 119.7495 64.1616 37.0279 178.3147 96 L 4.1493 8.0823 119.7834 58.2809 41.3018 179.5446 97 D 4.5047 8.3305 117.6477 56.4767 40.7449 178.2812 98 K 4.4522 7.9997 117.8594 58.1850 33.0808 178.5312 99 V 4.4604 8.2510 108.4238 60.9474 33.2664 177.4625 100 G 4.0171 8.2759 108.8261 45.3226 0.0000 173.9348 101 I 4.0515 8.2394 116.6008 63.9840 38.0039 177.7510 102 N 4.7167 8.1727 115.1679 54.1351 38.7823 175.0054 103 Y 3.8965 8.0047 120.3701 60.1671 38.8638 176.5589 104 W 4.3025 8.4580 122.3811 55.6500 28.7454 177.2094 105 L 4.0561 8.3997 124.7529 57.2237 41.5807 179.6663 106 A 4.0388 8.0746 120.2888 54.8038 18.2318 178.9217 107 H 3.9875 8.0676 117.0217 59.3514 29.7751 177.4168 108 K 4.0031 8.2280 120.6268 58.8042 32.2622 178.2077 109 A 4.1334 7.5820 119.8299 54.8598 18.5382 178.2550 110 L 4.6366 8.4147 114.0336 54.8836 43.7480 176.8768 111 C 4.9682 8.2195 114.2881 56.6601 38.8113 174.4462 112 S 4.5751 8.0288 114.1751 58.0014 63.0836 173.1969 113 E 4.5635 7.4801 117.0985 55.1988 32.7794 174.6114 114 K 3.8607 8.5576 116.3122 57.7892 29.5344 176.2741 115 L 4.6257 7.6632 118.5333 57.1415 42.8871 179.5655 116 D 4.4147 8.3679 118.9280 57.3137 40.8478 178.5444 117 Q 3.7843 7.9944 115.6353 58.4317 28.2477 177.2595 118 W 4.8148 7.8995 116.7952 56.4593 29.2452 176.2223 119 L 4.3059 7.4814 119.0627 54.2119 42.0372 175.3272 120 C 4.7939 7.8694 119.4120 56.0656 42.2760 174.7074 121 E 4.4765 9.1574 120.6762 54.9881 30.9291 173.8347 122 K 4.0725 7.8351 125.6271 56.5719 32.6692 178.8612 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 E 8.30 4.34 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 2.29 2.34 0.00 2 Q 8.77 4.65 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 3 L 8.62 4.75 0.00 1.48 1.47 0.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.16 4.19 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 5 K 8.76 3.38 0.00 1.85 1.83 0.00 1.73 0.00 0.00 2.06 0.00 0.00 3.12 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.60 1.81 7.81 6 C 8.03 4.41 0.00 2.98 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.98 3.90 0.00 2.15 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 2.31 2.29 0.00 8 V 7.45 3.51 2.09 0.00 0.00 0.00 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 0.53 0.00 0.00 9 F 7.96 3.90 0.00 3.20 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 10 R 8.72 4.14 0.00 2.05 2.00 0.00 3.25 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 11 E 8.65 4.12 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 12 L 8.22 4.37 0.00 1.57 1.48 0.80 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.44 3.63 0.00 1.81 1.80 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.38 7.81 14 D 7.81 4.60 0.00 2.59 2.58 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 15 L 7.86 4.01 0.00 1.64 1.49 -0.17 0.10 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 16 K 7.43 3.89 0.00 1.72 1.80 0.00 1.85 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.37 7.81 17 G 9.00 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 18 Y 8.55 4.05 0.00 3.10 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 19 G 8.68 3.54 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 0.00 0.00 0.00 20 G 7.91 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.58 4.15 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 0.30 0.00 0.00 0.83 0.00 0.00 22 S 8.69 4.76 0.00 4.16 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 23 L 8.34 4.08 0.00 1.64 1.55 0.97 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.70 0.00 2.30 2.34 0.00 3.72 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.52 0.00 25 E 7.89 3.81 0.00 2.11 1.73 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 2.40 2.31 0.00 26 W 7.88 4.35 0.00 3.40 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 27 V 8.53 3.72 2.39 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 1.42 0.00 0.00 1.24 0.00 0.00 28 C 7.60 2.45 0.00 1.23 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 29 T 7.66 3.82 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 1.15 0.00 0.00 30 T 8.39 3.91 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 1.08 0.00 0.00 31 F 8.52 3.44 0.00 2.60 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 32 H 7.89 4.08 0.00 3.27 3.35 0.00 5.90 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.95 4.14 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 1.56 0.00 0.00 34 S 8.86 4.68 0.00 4.05 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 0.00 35 G 7.53 3.27 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 36 Y 7.84 3.77 0.00 3.28 3.07 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 0.00 0.00 0.00 37 D 7.55 5.11 0.00 3.00 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 38 T 9.03 4.09 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 1.21 0.00 0.00 39 Q 8.45 4.78 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.32 0.00 40 A 8.03 4.13 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.18 4.78 1.80 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 0.98 0.83 0.69 0.00 0.00 42 V 8.39 4.34 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 0.94 0.00 0.00 0.97 0.00 0.00 43 Q 8.61 5.02 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.70 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 44 N 9.65 4.58 0.00 2.66 2.63 0.00 0.00 6.84 6.63 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 45 N 7.46 3.42 0.00 2.90 3.10 0.00 0.00 6.16 8.06 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 46 D 7.87 4.83 0.00 2.77 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 47 S 8.85 4.88 0.00 4.00 3.99 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 48 T 9.01 5.07 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 1.26 0.00 0.00 49 E 9.35 5.43 0.00 2.04 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 2.33 2.28 0.00 50 Y 8.73 4.87 0.00 3.30 3.07 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 0.00 0.00 0.00 51 G 9.61 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.68 3.93 0.00 1.42 1.26 0.84 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.11 4.78 0.00 3.12 3.40 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 54 Q 8.03 3.71 0.00 2.44 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.83 0.00 0.00 0.00 0.00 0.00 2.54 2.64 0.00 55 I 7.91 4.18 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 1.15 1.00 1.01 0.00 0.00 56 N 9.45 5.40 0.00 3.06 3.35 0.00 0.00 6.25 7.00 0.00 0.00 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 N 8.47 5.56 0.00 2.97 3.23 0.00 0.00 6.97 7.29 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 58 K 9.02 4.46 0.00 1.92 1.86 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.48 1.45 7.81 59 I 7.70 4.26 1.21 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.36 0.68 0.00 0.00 60 W 8.33 4.45 0.00 3.70 3.23 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 61 C 8.11 5.77 0.00 3.01 3.32 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 62 K 8.92 4.80 0.00 1.76 1.91 0.00 1.20 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.35 7.81 63 D 8.08 4.56 0.00 2.66 2.53 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 64 D 8.85 4.48 0.00 2.72 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.35 4.13 0.00 2.07 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.33 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 66 N 8.15 5.03 0.00 2.74 2.73 0.00 0.00 6.97 8.99 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 67 P 0.00 4.33 0.00 2.05 2.11 0.00 3.81 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 68 H 7.79 4.83 0.00 3.12 3.34 0.00 5.93 0.00 0.00 0.00 0.00 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.80 4.23 0.00 3.99 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.27 4.07 0.00 4.08 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 71 N 8.14 4.16 0.00 2.92 2.79 0.00 0.00 7.23 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.29 3.73 1.73 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.51 1.06 0.00 0.00 73 C 8.84 4.49 0.00 3.37 3.34 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 74 N 8.28 4.13 0.00 2.90 2.90 0.00 0.00 6.68 7.15 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 75 I 8.24 4.29 1.95 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.15 0.76 0.00 0.00 76 S 8.21 4.49 0.00 3.76 3.54 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 77 C 9.01 3.69 0.00 1.99 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 78 D 7.75 4.29 0.00 2.53 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.36 4.13 0.00 1.36 1.92 0.00 1.63 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.47 7.81 80 F 7.77 5.45 0.00 3.31 3.07 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 0.00 0.00 0.00 81 L 8.07 5.32 0.00 1.88 1.77 1.18 1.03 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 82 D 7.80 4.80 0.00 2.79 2.74 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 83 D 8.53 4.42 0.00 2.71 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.20 4.65 0.00 2.64 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 85 L 8.21 4.58 0.00 1.75 1.77 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.10 3.83 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 1.19 0.00 0.00 87 D 8.09 4.43 0.00 3.07 2.97 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 88 D 8.38 3.83 0.00 3.04 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 89 I 8.04 3.23 1.95 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.85 0.62 0.00 0.00 90 M 7.62 3.86 0.00 1.94 2.20 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.62 0.00 91 C 8.04 4.20 0.00 3.15 2.85 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 0.00 0.00 0.00 0.00 92 V 7.43 3.27 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 0.11 0.00 0.00 -0.48 0.00 0.00 93 K 7.55 3.64 0.00 1.74 1.46 0.00 1.32 0.00 0.00 0.91 0.00 0.00 2.18 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.30 1.02 7.81 94 K 7.54 3.96 0.00 1.94 1.99 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.50 7.81 95 I 7.37 2.90 1.71 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.22 -0.03 0.00 0.00 96 L 8.08 4.15 0.00 2.08 1.94 1.23 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.33 4.50 0.00 2.89 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 98 K 8.00 4.45 0.00 2.15 2.09 0.00 1.94 0.00 0.00 1.83 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.62 7.81 99 V 8.25 4.46 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 1.05 0.00 0.00 1.11 0.00 0.00 100 G 8.28 4.02 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 0.00 0.00 0.00 101 I 8.24 4.05 1.76 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.88 0.81 0.00 0.00 102 N 8.17 4.72 0.00 2.81 2.89 0.00 0.00 6.84 7.46 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 0.00 103 Y 8.00 3.90 0.00 2.65 2.32 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 0.00 104 W 8.46 4.30 0.00 3.76 3.13 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 0.00 105 L 8.40 4.06 0.00 1.73 1.70 0.78 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.07 4.04 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 0.00 107 H 8.07 3.99 0.00 3.08 3.41 0.00 5.59 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.23 4.00 0.00 1.83 1.84 0.00 1.68 0.00 0.00 0.78 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.38 7.81 109 A 7.58 4.13 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 0.00 110 L 8.41 4.64 0.00 1.68 1.67 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.22 4.97 0.00 2.95 2.79 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 0.00 0.00 0.00 112 S 8.03 4.58 0.00 3.80 3.79 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 0.00 0.00 0.00 113 E 7.48 4.56 0.00 2.03 1.87 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 2.19 2.37 0.00 114 K 8.56 3.86 0.00 1.98 1.91 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.37 1.47 7.81 115 L 7.66 4.63 0.00 1.78 1.87 1.03 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.37 4.41 0.00 2.72 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 7.99 3.78 0.00 1.60 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.16 0.00 0.00 0.00 0.00 0.00 1.90 1.16 0.00 118 W 7.90 4.81 0.00 3.52 3.34 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 0.00 119 L 7.48 4.31 0.00 1.55 1.47 0.97 1.29 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 0.00 120 C 7.87 4.79 0.00 2.45 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.16 4.48 0.00 1.94 1.77 0.00 0.00 0.00 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 1.82 0.00 122 K 7.84 4.07 0.00 1.82 1.61 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.12 0.75 7.81