NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3751 8.2649 123.6054 52.1714 19.9007 176.4776 2 S 4.5104 8.3282 117.5233 56.2794 64.4685 172.5844 3 I 2.2127 8.6005 123.5375 60.7026 38.0196 174.6133 4 P 4.2422 0.0000 0.0000 62.4871 31.8885 176.8491 5 S 4.3347 8.4796 117.3503 61.3106 63.0686 175.5585 6 S 4.6680 7.8336 109.1416 58.1550 66.4688 174.2856 7 A 4.1366 8.1253 123.5538 52.8406 18.6917 177.5839 8 S 4.4089 8.6751 117.6465 61.0220 64.0610 174.6264 9 V 5.0873 7.6757 117.2649 60.5134 34.4331 174.5236 10 Q 4.9240 9.2418 123.1703 54.9371 32.8767 173.1024 11 L 4.2550 10.7086 130.0376 56.3754 42.2863 175.8308 12 D 4.9278 9.1295 126.6781 55.8182 41.3786 176.1282 13 S 4.9267 7.5751 110.8890 57.5131 66.4593 171.4414 14 Y 5.2552 8.1688 117.2480 55.8218 41.7850 173.3526 15 N 5.1178 9.8145 117.3241 52.0711 43.4332 173.2505 16 Y 5.7541 8.7515 121.7985 57.1537 41.7821 173.8620 17 D 4.5639 8.7540 124.8465 52.9110 39.8816 177.0048 18 G 3.4423 6.6124 107.8706 45.2818 0.0000 173.8420 19 S 4.5226 7.7401 111.5168 59.7085 66.2010 173.2909 20 T 5.1261 9.0539 117.0730 61.7946 70.7044 173.1983 21 F 5.7645 9.5420 129.8507 56.7304 41.3369 174.5575 22 S 4.2527 8.9667 120.2215 56.5182 67.3337 172.6730 23 G 3.6107 6.3901 106.4957 45.7488 0.0000 171.8549 24 K 5.0781 8.4125 120.8020 54.4275 35.4975 174.9005 25 I 4.9764 9.1277 126.6310 59.7345 41.5174 173.9839 26 Y 5.0351 9.1865 124.5320 57.5029 39.4038 174.7160 27 V 4.6165 8.9773 123.9328 60.5749 34.7644 174.3375 28 K 3.4226 8.5928 130.4308 55.7984 32.3017 177.8003 29 N 4.7853 8.8697 128.7849 53.6262 36.6843 174.3149 30 I 3.8442 7.9359 123.0792 63.5235 37.8746 176.2194 31 A 4.6892 7.4643 119.3937 50.8063 22.1437 175.4742 32 Y 4.0955 8.7086 120.2169 60.8267 38.9208 176.4896 33 S 4.2751 8.0790 115.7919 57.8422 62.4738 172.9473 34 K 5.0155 8.4314 126.1868 54.5067 36.3649 175.7432 35 K 4.5603 8.8418 122.9007 54.7626 35.5072 175.0467 36 V 4.9003 8.4249 126.9442 61.3216 34.2769 174.0190 37 T 5.0862 8.9398 118.1612 59.8216 72.4712 172.9519 38 V 4.5097 8.6279 123.8565 61.2848 33.6515 174.3217 39 V 4.9638 8.3316 128.6403 61.2963 33.3739 174.0289 40 Y 5.3918 8.5938 124.9549 55.1972 41.5528 174.3399 41 A 4.1936 8.0415 121.5883 49.9907 21.5530 177.2989 42 D 5.0069 7.8425 120.1119 51.3306 41.1501 177.2687 43 G 3.3335 8.6419 107.2762 48.6090 0.0000 174.3244 44 S 4.5540 8.1220 113.5549 57.6191 62.9475 173.1470 45 D 4.1290 8.3977 118.8288 55.0455 40.0729 172.6270 46 N 4.7966 8.4815 116.0721 51.4286 40.2153 175.6587 47 W 4.0134 8.8594 125.5500 57.4626 30.0782 175.8255 48 N 4.0152 8.8155 115.6544 55.2583 36.6891 172.7967 49 N 4.1495 9.1420 109.0716 54.9753 37.4711 172.7407 50 N 4.4517 7.9698 106.1483 54.5165 36.9969 176.0753 51 G 3.7678 7.9077 106.5133 46.1290 0.0000 174.5932 52 N 4.5558 7.7584 118.1479 52.1540 38.8093 173.9991 53 I 5.2901 8.1729 123.4621 59.3671 41.4593 175.3173 54 I 4.6627 8.5746 124.3261 59.4714 40.6210 174.5216 55 A 4.6090 8.8347 129.4267 51.6051 19.0082 176.7789 56 A 4.9593 9.0228 125.6393 51.1822 20.8012 176.4686 57 S 4.5825 9.0154 112.9388 55.8971 66.9899 173.3355 58 F 2.4805 7.2873 123.0782 58.9616 38.8557 173.9681 59 S 4.1516 8.0090 120.2386 58.0913 64.0095 174.2403 60 G 3.8408 6.0703 106.5734 45.1248 0.0000 170.5180 61 P 4.9862 0.0000 0.0000 62.3168 32.7729 176.7808 62 I 4.3345 8.1241 120.9960 59.0284 38.3170 175.0025 63 S 3.9788 8.6148 120.5644 60.4275 63.0535 175.5162 64 G 3.9702 9.5528 112.0185 45.7019 0.0000 172.6651 65 S 4.7295 7.6264 112.5934 56.8803 66.3215 173.3303 66 N 4.7658 8.8428 116.1647 53.5762 38.3242 174.2212 67 Y 5.2705 7.5088 114.7471 56.2867 41.1499 174.3853 68 E 4.8537 9.3227 118.4537 55.3297 34.2564 173.3904 69 Y 5.6033 9.1789 117.6618 56.4770 40.3763 175.2391 70 W 5.2164 9.3018 122.6295 55.0798 33.3442 174.5007 71 T 5.2649 8.7804 113.0335 60.1535 72.1811 172.3631 72 F 5.1803 8.2051 115.3312 56.1929 41.5786 173.1472 73 S 4.8335 8.3274 112.0805 57.6927 65.1871 173.5385 74 A 4.6697 8.7077 126.2481 51.1672 22.9987 175.3366 75 S 5.0070 8.7113 114.6505 57.8874 64.5319 174.0399 76 V 4.5888 8.4783 114.9245 59.5059 34.6665 176.1725 77 K 4.0842 9.2672 123.6459 59.2469 32.0549 177.3468 78 G 4.0526 7.6561 104.6952 45.6229 0.0000 171.7932 79 I 4.6047 7.9716 118.4103 59.6562 41.0542 173.5783 80 K 4.4717 8.6671 128.6628 57.7576 34.2988 175.2816 81 E 5.3339 7.5540 115.5863 55.7841 33.2011 173.4895 82 F 5.7041 8.6853 114.0572 56.5907 41.8523 172.1964 83 Y 5.5631 9.3286 117.3158 55.9144 42.1684 173.5939 84 I 5.1448 9.2552 119.9278 59.4216 40.5699 174.8338 85 K 4.9416 9.1863 127.0288 54.7399 35.3841 174.0327 86 Y 5.2553 9.1530 127.9743 56.0108 41.9051 173.5705 87 E 4.9754 9.3315 127.2839 54.4485 32.3558 175.6064 88 V 4.4485 8.6225 122.8105 61.1909 35.2207 174.2291 89 S 3.7563 9.6834 118.6569 59.7539 60.3320 173.7534 90 G 3.9055 8.2927 106.1121 45.5248 0.0000 173.9271 91 K 4.4247 7.7141 118.9877 54.6300 34.6423 174.9177 92 T 4.6832 7.5991 116.6628 61.9316 71.3493 173.0325 93 Y 4.9541 8.9139 122.5268 56.5667 42.3716 173.9452 94 Y 5.4176 8.7323 116.8575 56.8025 42.8428 174.7728 95 D 4.9569 9.7031 121.2870 52.4432 43.5472 175.1900 96 N 5.0076 8.6411 123.4633 51.9236 38.6085 174.5885 97 N 3.6291 8.4620 114.7008 56.6168 37.7456 173.7612 98 N 4.2977 8.5667 113.1746 54.9354 36.6945 175.1584 99 S 3.5788 8.8654 106.4027 59.0461 62.9324 173.0378 100 A 4.2553 7.7028 123.0494 51.7790 19.7473 178.3736 101 N 4.3787 8.1509 112.5488 52.7443 38.4316 172.9687 102 Y 4.3199 8.0876 116.9730 57.1640 39.0851 175.2199 103 Q 4.8162 8.7404 124.0235 55.3097 29.8535 175.8614 104 V 4.7170 8.9636 118.0272 59.2542 33.5581 175.6731 105 S 4.6595 8.8463 117.9714 58.1849 64.7320 174.3725 106 T 3.8191 8.6203 118.9563 64.3164 68.3830 171.8585 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 A 8.26 4.38 1.56 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 2 S 8.33 4.51 0.00 3.90 3.75 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 3 I 8.60 2.21 1.54 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.28 0.16 0.00 0.00 4 P 0.00 4.24 0.00 1.82 1.89 0.00 2.21 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.18 0.00 5 S 8.48 4.33 0.00 3.84 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 6 S 7.83 4.67 0.00 3.94 3.94 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 0.00 0.00 0.00 0.00 7 A 8.13 4.14 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 8 S 8.68 4.41 0.00 3.45 3.47 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 0.00 0.00 0.00 0.00 9 V 7.68 5.09 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 0.87 0.00 0.00 0.95 0.00 0.00 10 Q 9.24 4.92 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.98 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 11 L 10.71 4.25 0.00 1.81 1.60 1.28 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 12 D 9.13 4.93 0.00 2.16 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.58 4.93 0.00 3.81 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 14 Y 8.17 5.26 0.00 3.26 3.18 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 15 N 9.81 5.12 0.00 2.47 2.65 0.00 0.00 6.78 7.36 0.00 0.00 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 Y 8.75 5.75 0.00 3.11 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 17 D 8.75 4.56 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 18 G 6.61 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.74 4.52 0.00 3.80 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 20 T 9.05 5.13 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 1.27 0.00 0.00 21 F 9.54 5.76 0.00 2.76 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 22 S 8.97 4.25 0.00 3.54 3.66 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 23 G 6.39 3.61 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 0.00 0.00 0.00 24 K 8.41 5.08 0.00 1.46 1.32 0.00 0.61 0.00 0.00 1.05 0.00 0.00 2.58 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.63 0.92 7.81 25 I 9.13 4.98 2.06 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 1.45 1.09 1.05 0.00 0.00 26 Y 9.19 5.04 0.00 3.28 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 27 V 8.98 4.62 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 0.01 0.00 0.00 0.50 0.00 0.00 28 K 8.59 3.42 0.00 1.19 1.50 0.00 1.61 0.00 0.00 1.41 0.00 0.00 2.60 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.12 0.56 7.81 29 N 8.87 4.79 0.00 2.72 2.81 0.00 0.00 7.31 8.32 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 30 I 7.94 3.84 1.89 0.00 0.00 0.65 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 0.79 0.90 0.00 0.00 31 A 7.46 4.69 1.24 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 0.00 0.00 32 Y 8.71 4.10 0.00 2.92 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 33 S 8.08 4.28 0.00 4.00 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 34 K 8.43 5.02 0.00 1.60 1.60 0.00 1.89 0.00 0.00 1.58 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.74 7.81 35 K 8.84 4.56 0.00 1.82 1.60 0.00 1.59 0.00 0.00 1.90 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.40 7.81 36 V 8.42 4.90 1.85 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 0.93 0.00 0.00 -0.34 0.00 0.00 37 T 8.94 5.09 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 1.23 0.00 0.00 38 V 8.63 4.51 1.61 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 0.66 0.00 0.00 -0.27 0.00 0.00 39 V 8.33 4.96 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 0.00 0.00 1.20 0.00 0.00 0.79 0.00 0.00 40 Y 8.59 5.39 0.00 2.95 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 41 A 8.04 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 7.84 5.01 0.00 2.91 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 43 G 8.64 3.33 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 0.00 44 S 8.12 4.55 0.00 3.96 3.86 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 45 D 8.40 4.13 0.00 2.66 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 46 N 8.48 4.80 0.00 2.77 3.02 0.00 0.00 7.29 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 W 8.86 4.01 0.00 3.49 3.31 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 48 N 8.82 4.02 0.00 2.94 2.82 0.00 0.00 6.96 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 N 9.14 4.15 0.00 2.88 2.84 0.00 0.00 7.27 7.79 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 50 N 7.97 4.45 0.00 3.06 3.02 0.00 0.00 6.73 7.53 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 51 G 7.91 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 0.00 0.00 0.00 52 N 7.76 4.56 0.00 1.85 1.54 0.00 0.00 6.90 7.49 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 53 I 8.17 5.29 1.90 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 1.35 0.65 0.99 0.00 0.00 54 I 8.57 4.66 1.73 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.94 0.95 0.00 0.00 55 A 8.83 4.61 1.30 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 56 A 9.02 4.96 1.59 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 0.00 0.00 57 S 9.02 4.58 0.00 3.69 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 58 F 7.29 2.48 0.00 2.03 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.01 4.15 0.00 3.58 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 60 G 6.07 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 0.00 0.00 0.00 61 P 0.00 4.99 0.00 2.04 2.13 0.00 3.69 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 2.18 2.49 0.00 62 I 8.12 4.33 2.01 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.49 0.88 0.00 0.00 63 S 8.61 3.98 0.00 3.88 3.87 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 G 9.55 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 65 S 7.63 4.73 0.00 4.02 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 66 N 8.84 4.77 0.00 2.67 2.76 0.00 0.00 6.63 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 67 Y 7.51 5.27 0.00 2.82 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 68 E 9.32 4.85 0.00 2.45 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 0.00 2.63 2.83 0.00 69 Y 9.18 5.60 0.00 2.94 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 70 W 9.30 5.22 0.00 3.28 3.18 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 71 T 8.78 5.26 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 1.02 0.00 0.00 72 F 8.21 5.18 0.00 2.95 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 73 S 8.33 4.83 0.00 3.69 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 74 A 8.71 4.67 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 75 S 8.71 5.01 0.00 3.93 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 76 V 8.48 4.59 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 0.55 0.00 0.00 0.84 0.00 0.00 77 K 9.27 4.08 0.00 1.80 1.91 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.50 7.81 78 G 7.66 4.05 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 0.00 0.00 0.00 79 I 7.97 4.60 1.25 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.61 -0.14 0.00 0.00 80 K 8.67 4.47 0.00 1.98 1.75 0.00 1.55 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.37 7.81 81 E 7.55 5.33 0.00 2.20 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 0.00 2.04 2.35 0.00 82 F 8.69 5.70 0.00 3.38 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 83 Y 9.33 5.56 0.00 3.33 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 84 I 9.26 5.14 2.11 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 1.26 1.11 1.00 0.00 0.00 85 K 9.19 4.94 0.00 2.02 1.66 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.18 0.90 7.81 86 Y 9.15 5.26 0.00 2.81 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 87 E 9.33 4.98 0.00 1.83 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 88 V 8.62 4.45 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 0.16 0.00 0.00 0.96 0.00 0.00 89 S 9.68 3.76 0.00 3.97 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 90 G 8.29 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 91 K 7.71 4.42 0.00 1.53 1.12 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.22 1.28 7.81 92 T 7.60 4.68 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 0.64 0.00 0.00 93 Y 8.91 4.95 0.00 2.96 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 94 Y 8.73 5.42 0.00 2.78 2.95 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 95 D 9.70 4.96 0.00 3.14 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 96 N 8.64 5.01 0.00 2.78 2.82 0.00 0.00 5.97 6.96 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 97 N 8.46 3.63 0.00 1.44 2.26 0.00 0.00 7.40 6.59 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 98 N 8.57 4.30 0.00 2.79 2.77 0.00 0.00 7.27 7.57 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 99 S 8.87 3.58 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 0.00 100 A 7.70 4.26 1.28 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 0.00 101 N 8.15 4.38 0.00 3.04 3.21 0.00 0.00 6.95 7.50 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 0.00 102 Y 8.09 4.32 0.00 1.43 2.31 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 0.00 103 Q 8.74 4.82 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 104 V 8.96 4.72 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 0.53 0.00 0.00 0.76 0.00 0.00 105 S 8.85 4.66 0.00 4.05 3.94 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 0.00 0.00 0.00 0.00 106 T 8.62 3.82 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 1.23 0.00 0.00