NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2152 8.3293 121.6989 55.7114 30.4568 175.5064 4 S 4.2230 8.2525 120.4352 57.7741 65.2761 174.5762 5 F 4.1032 10.1343 123.2401 60.6056 39.0265 179.6095 6 T 3.9150 8.3405 116.0022 66.6502 68.3388 176.5747 7 S 4.0912 7.9178 115.0079 61.4069 62.3554 176.2562 8 I 3.6818 7.7210 122.1636 64.1815 36.8019 178.3228 9 A 4.0153 8.3560 121.9756 55.0675 18.2827 179.2919 10 R 3.8172 8.1288 117.2245 59.8708 30.1665 178.6798 11 I 3.7727 7.7862 118.9790 64.4211 37.2268 178.7326 12 G 3.6743 8.4318 106.8534 48.0561 0.0000 175.4817 13 D 4.4290 8.7519 121.7008 57.1193 40.4070 178.1604 14 Y 3.9997 8.0742 120.0753 60.6953 38.5228 178.3425 15 I 3.8163 7.6023 119.4918 64.3683 37.3762 178.1637 16 L 4.1165 7.8149 118.6594 57.4408 41.4195 179.3975 17 K 4.2342 7.8483 118.0181 57.8764 32.4398 177.4511 18 S 4.1549 7.2332 114.9804 57.0818 62.6015 172.9803 19 P 4.5099 0.0000 0.0000 65.0470 30.4954 178.7343 20 V 3.6512 7.5968 117.3521 66.0365 31.6398 177.8634 21 L 3.8364 7.6127 117.5647 57.7672 41.1052 179.1996 22 S 4.1204 8.4815 113.5250 61.4718 61.9655 176.1798 23 K 3.8296 7.5086 118.1672 57.8747 32.0674 178.6398 24 L 4.1777 7.0509 119.9717 57.9084 42.4689 178.1669 25 C 4.2330 8.5948 116.7572 62.6526 28.3546 175.8384 26 V 3.5710 7.1411 119.5784 66.0209 31.0398 176.2521 27 P 4.3598 0.0000 0.0000 65.4441 31.0986 178.8232 28 V 3.5633 7.6556 116.3515 65.9960 31.5532 177.6823 29 A 4.0156 8.3055 120.8936 55.4143 18.0499 179.3350 30 N 4.3162 8.7966 115.2526 56.5470 38.6030 177.4680 31 Q 4.0126 8.0904 120.5837 58.8263 29.1305 177.8884 32 F 4.1522 8.4318 121.9405 61.4527 39.2699 177.1613 33 I 3.7757 7.9697 118.2560 64.5649 37.0055 177.9233 34 N 4.3503 7.9864 117.3124 56.1367 38.1353 177.5303 35 L 3.8293 7.6759 119.3807 57.1314 41.7018 178.7962 36 A 3.9499 7.3184 120.6130 54.2779 18.6757 179.0101 37 G 3.6938 7.5070 103.9879 45.7002 0.0000 174.8180 38 Y 4.1626 7.5627 118.5520 59.9975 37.7562 178.4660 39 K 4.1472 7.0664 119.6961 58.8622 32.1652 178.7935 40 K 2.6956 7.5586 118.1052 57.4492 31.6485 178.0942 41 L 4.3120 7.5287 117.2424 54.4558 42.2794 177.0788 42 G 3.9211 8.1744 106.5696 45.6004 0.0000 173.1542 43 L 4.8932 7.5229 117.8584 52.7194 44.0615 176.0798 44 K 4.9404 8.9539 120.0975 54.5006 34.7471 177.3389 45 F 3.4013 9.3911 124.2626 61.7791 38.9164 177.6483 46 D 4.0205 8.2060 117.3035 57.1001 40.2558 178.2332 47 D 4.4280 7.8925 118.5107 56.5380 40.8854 177.7561 48 L 4.1162 7.2988 118.0359 54.5309 42.0431 177.1744 49 I 3.6218 6.4850 120.7357 60.5720 37.4260 175.7817 50 A 3.9902 8.6471 128.8570 52.7183 18.3995 176.8351 51 E 4.3719 8.6340 120.2764 56.7237 31.1607 176.6201 52 E 4.3828 7.8913 121.4210 54.6344 28.5723 175.7793 53 N 4.9401 7.3604 117.0611 49.9757 41.8245 173.4341 54 P 4.2655 0.0000 0.0000 66.2313 31.1002 178.6986 55 I 3.6830 7.7158 118.8340 64.6597 37.1805 178.2622 56 M 4.0463 8.0311 118.6667 58.2652 31.7744 178.7746 57 Q 4.0052 7.9217 118.1568 58.9524 29.0275 178.5303 58 T 3.8173 8.1463 116.7111 66.4973 68.2288 176.4904 59 A 4.0012 8.1794 122.7494 55.3585 18.2638 179.8158 60 L 3.9739 7.7895 115.8957 57.6186 41.6516 179.4447 61 R 3.9888 7.6743 118.3303 59.0927 30.1423 178.0473 62 R 4.1201 7.5288 115.1334 55.9576 30.5752 176.6288 63 L 3.3503 6.5642 120.9834 53.5204 42.7379 175.4239 64 P 4.2875 0.0000 0.0000 62.8006 33.0387 176.8963 65 E 3.3370 8.5151 120.5238 59.9187 29.3959 179.6465 66 D 4.3868 7.9834 117.9489 57.6347 40.8698 178.8046 67 E 3.8801 7.9423 118.4773 59.0472 29.5319 179.0594 68 S 3.9781 7.7225 113.2790 61.7109 62.4810 175.9465 69 Y 4.3977 7.8018 119.3184 60.9006 37.5392 178.4676 70 A 4.0558 7.9162 121.6002 55.1631 18.4678 179.5541 71 R 3.8102 8.3715 117.4911 59.4965 30.1303 178.4735 72 A 4.0152 8.0668 120.5345 55.4200 18.3529 179.0219 73 Y 4.1347 8.0923 117.9251 60.9065 38.8676 178.3461 74 R 3.6883 8.1277 118.9732 59.2204 30.1579 179.1592 75 I 3.6503 7.9246 119.6453 64.4204 37.1236 178.6136 76 I 3.7232 7.7942 120.6229 64.4078 36.9462 178.4917 77 R 3.7362 8.0603 119.7221 59.1921 29.6816 178.4586 78 A 3.9306 8.0394 120.7245 55.3798 18.3019 179.3380 79 H 4.0903 8.1106 114.7826 59.0019 28.5513 177.8509 80 Q 3.9312 7.8144 120.2283 59.4659 29.3246 178.1627 81 T 4.0680 7.8541 118.1048 65.9589 68.5088 176.1810 82 E 3.9194 8.4369 121.8705 59.3331 29.4541 178.9734 83 L 3.9688 7.9658 118.3828 58.1996 40.7791 178.2368 84 T 4.1473 7.6179 108.9025 60.9457 69.1295 174.3139 85 H 3.9546 7.9238 117.6639 57.7314 26.8363 173.4047 86 H 5.1076 8.1329 114.2962 54.0928 32.5361 172.2888 87 L 4.9827 8.1295 118.6133 52.8990 45.0099 176.8563 88 L 4.4842 8.4325 120.5767 53.8754 42.8059 175.5749 89 P 4.3495 0.0000 0.0000 62.6872 32.1136 177.7736 90 R 2.0000 8.6129 122.8458 58.8456 29.9524 178.3536 91 N 4.3780 7.7858 112.7370 54.6344 37.3890 175.1439 92 E 4.4924 8.2530 117.6062 56.3382 30.5179 176.3030 93 W 4.7715 7.6860 118.9001 56.9310 30.0129 175.8194 94 I 4.2042 8.2323 123.4998 61.1564 37.3742 176.3535 95 K 4.4586 9.4664 126.5411 55.5366 33.5421 178.0069 96 A 4.0789 8.8474 124.1499 55.7300 17.9606 180.3280 97 Q 4.1211 8.0600 115.3085 58.9062 28.9127 177.9492 98 E 4.2838 8.0740 118.7387 58.0332 30.9507 177.2551 99 D 4.8242 7.4728 118.4906 53.7129 39.5785 175.8739 100 V 4.2421 7.3635 119.8021 61.3801 33.2701 174.5592 101 P 4.7747 0.0000 0.0000 62.0930 29.5029 176.3526 102 Y 3.9756 7.9246 122.3195 59.9462 38.9791 177.6544 103 L 4.3932 7.3812 121.7875 55.9777 43.1369 177.7900 104 L 3.6051 7.4560 120.6988 57.8375 41.8070 177.1895 105 P 4.0862 0.0000 0.0000 66.1909 31.0350 177.8961 106 Y 4.0671 7.5738 115.8744 60.6525 37.7531 178.2807 107 I 3.6644 7.7132 120.7712 64.3912 37.2464 178.4133 108 L 3.9843 8.0561 120.0877 57.7304 41.4413 179.2403 109 E 3.8910 8.2307 118.9310 59.3198 29.5706 178.7842 110 A 4.0384 8.0730 120.7703 55.2035 18.4078 179.4744 111 E 3.9229 8.5894 117.2181 59.3380 29.4516 179.4610 112 A 3.9475 8.1500 120.5957 55.0975 18.6098 179.3982 113 A 3.9119 8.1083 119.0759 55.2942 18.4298 179.7033 114 A 3.9205 8.1755 119.2114 55.2834 18.5308 179.7363 115 K 3.8774 8.4865 118.5944 59.6240 32.2370 178.5854 116 E 3.9359 8.4483 119.7793 59.0630 29.4752 178.6745 117 K 3.9481 7.9924 119.5235 59.5782 32.0379 178.2826 118 D 4.3139 7.9136 117.3107 57.2267 41.4250 177.8791 119 E 4.1102 8.2165 119.1085 59.5469 29.0288 179.3798 120 L 4.0587 8.4496 119.3107 57.8099 41.4397 179.1928 121 D 4.5745 8.4201 117.9976 56.0546 40.7356 176.8231 122 N 4.9715 7.3809 114.7729 52.4287 39.3898 174.4649 123 I 3.7510 7.3483 112.3599 61.0923 37.8818 175.9505 124 E 4.4733 8.5029 124.0696 55.3873 30.8204 175.8529 125 V 4.4619 7.9830 112.5218 59.5870 35.0221 175.2686 126 S 4.6947 8.6458 117.9227 56.3720 64.5298 173.8559 127 K 4.1982 8.6342 125.6159 56.5832 32.0737 176.1294 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 Q 8.33 4.22 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.99 0.00 0.00 0.00 0.00 0.00 2.11 2.28 0.00 4 S 8.25 4.22 0.00 4.45 3.98 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 0.00 0.00 0.00 5 F 10.13 4.10 0.00 3.39 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 6 T 8.34 3.91 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 1.23 0.00 0.00 7 S 7.92 4.09 0.00 3.82 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 8 I 7.72 3.68 1.94 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.52 0.88 0.00 0.00 9 A 8.36 4.02 1.44 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 10 R 8.13 3.82 0.00 2.05 2.10 0.00 3.09 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 11 I 7.79 3.77 1.85 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 1.38 0.85 0.88 0.00 0.00 12 G 8.43 3.67 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 0.00 0.00 0.00 13 D 8.75 4.43 0.00 2.77 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 14 Y 8.07 4.00 0.00 3.20 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 15 I 7.60 3.82 2.05 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 1.65 0.98 0.92 0.00 0.00 16 L 7.81 4.12 0.00 1.87 1.72 0.92 0.77 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 17 K 7.85 4.23 0.00 1.59 1.76 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.56 7.81 18 S 7.23 4.15 0.00 3.54 3.62 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 19 P 0.00 4.51 0.00 2.17 2.06 0.00 3.59 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 2.07 2.10 0.00 20 V 7.60 3.65 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 1.07 0.00 0.00 0.91 0.00 0.00 21 L 7.61 3.84 0.00 1.72 1.70 0.95 0.79 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 22 S 8.48 4.12 0.00 4.11 3.89 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 23 K 7.51 3.83 0.00 1.84 1.84 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.51 7.81 24 L 7.05 4.18 0.00 1.60 1.87 0.92 0.95 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 25 C 8.59 4.23 0.00 2.95 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 26 V 7.14 3.57 2.20 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 0.88 0.00 0.00 0.98 0.00 0.00 27 P 0.00 4.36 0.00 2.20 2.10 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.15 0.00 28 V 7.66 3.56 2.23 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 1.05 0.00 0.00 0.97 0.00 0.00 29 A 8.31 4.02 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 30 N 8.80 4.32 0.00 3.00 2.91 0.00 0.00 6.68 7.27 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 31 Q 8.09 4.01 0.00 2.21 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 32 F 8.43 4.15 0.00 3.08 3.24 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 33 I 7.97 3.78 2.07 0.00 0.00 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 1.76 1.05 0.93 0.00 0.00 34 N 7.99 4.35 0.00 2.77 2.81 0.00 0.00 7.02 7.35 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 35 L 7.68 3.83 0.00 1.63 1.62 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.32 3.95 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 37 G 7.51 3.69 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 0.00 0.00 0.00 38 Y 7.56 4.16 0.00 3.22 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 39 K 7.07 4.15 0.00 1.43 1.88 0.00 1.88 0.00 0.00 1.78 0.00 0.00 2.63 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 0.76 7.81 40 K 7.56 2.70 0.00 1.41 1.09 0.00 1.16 0.00 0.00 1.14 0.00 0.00 2.49 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.30 0.21 7.81 41 L 7.53 4.31 0.00 1.73 1.66 0.84 0.92 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 42 G 8.17 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 43 L 7.52 4.89 0.00 2.00 1.65 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.95 4.94 0.00 2.13 1.93 0.00 1.81 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.46 7.81 45 F 9.39 3.40 0.00 3.02 3.11 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 0.00 46 D 8.21 4.02 0.00 2.30 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 0.00 0.00 0.00 47 D 7.89 4.43 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 48 L 7.30 4.12 0.00 1.13 1.30 0.76 0.65 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 49 I 6.49 3.62 1.75 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.06 1.06 0.00 0.00 50 A 8.65 3.99 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 51 E 8.63 4.37 0.00 2.07 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 2.20 2.31 0.00 52 E 7.89 4.38 0.00 1.96 1.97 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 2.31 2.35 0.00 53 N 7.36 4.94 0.00 2.88 2.87 0.00 0.00 5.84 7.76 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 54 P 0.00 4.27 0.00 2.29 2.37 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 55 I 7.72 3.68 1.92 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 1.67 0.93 0.95 0.00 0.00 56 M 8.03 4.05 0.00 2.01 2.26 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.62 0.00 57 Q 7.92 4.01 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 58 T 8.15 3.82 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 1.23 0.00 0.00 59 A 8.18 4.00 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 60 L 7.79 3.97 0.00 1.64 1.70 0.90 0.79 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 61 R 7.67 3.99 0.00 1.98 2.10 0.00 3.24 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 1.63 0.00 62 R 7.53 4.12 0.00 1.91 1.89 0.00 3.28 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 63 L 6.56 3.35 0.00 1.46 1.49 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.29 0.00 2.26 2.15 0.00 3.56 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 65 E 8.52 3.34 0.00 1.89 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 2.18 2.33 0.00 66 D 7.98 4.39 0.00 2.66 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 67 E 7.94 3.88 0.00 2.00 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 2.34 2.29 0.00 68 S 7.72 3.98 0.00 3.69 3.59 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 69 Y 7.80 4.40 0.00 3.05 2.88 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 70 A 7.92 4.06 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 71 R 8.37 3.81 0.00 1.93 2.08 0.00 3.20 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.00 0.00 72 A 8.07 4.02 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 73 Y 8.09 4.13 0.00 3.13 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 74 R 8.13 3.69 0.00 2.04 1.94 0.00 3.44 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 75 I 7.92 3.65 1.88 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 1.50 0.65 0.95 0.00 0.00 76 I 7.79 3.72 1.86 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 1.43 0.87 0.93 0.00 0.00 77 R 8.06 3.74 0.00 1.14 1.69 0.00 2.93 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.47 0.00 78 A 8.04 3.93 1.29 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 79 H 8.11 4.09 0.00 3.39 3.33 0.00 5.82 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 7.81 3.93 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 81 T 7.85 4.07 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 1.26 0.00 0.00 82 E 8.44 3.92 0.00 2.11 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 0.00 2.30 2.36 0.00 83 L 7.97 3.97 0.00 1.76 1.76 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.62 4.15 4.07 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 1.24 0.00 0.00 85 H 7.92 3.95 0.00 3.39 3.46 0.00 5.59 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 H 8.13 5.11 0.00 3.05 3.24 0.00 5.83 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.13 4.98 0.00 1.61 1.63 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.43 4.48 0.00 1.95 1.79 1.01 1.11 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 89 P 0.00 4.35 0.00 2.07 1.95 0.00 3.87 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 90 R 8.61 2.00 0.00 1.32 0.94 0.00 2.32 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 0.82 1.27 0.00 91 N 7.79 4.38 0.00 2.75 2.84 0.00 0.00 5.95 7.66 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 92 E 8.25 4.49 0.00 2.21 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 2.34 2.30 0.00 93 W 7.69 4.77 0.00 3.25 3.11 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 0.00 94 I 8.23 4.20 1.95 0.00 0.00 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 1.26 0.92 1.02 0.00 0.00 95 K 9.47 4.46 0.00 1.90 1.91 0.00 1.87 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.46 7.81 96 A 8.85 4.08 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 8.06 4.12 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.03 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 98 E 8.07 4.28 0.00 2.15 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 2.37 2.36 0.00 99 D 7.47 4.82 0.00 2.85 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 0.00 100 V 7.36 4.24 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 1.02 0.00 0.00 1.04 0.00 0.00 101 P 0.00 4.77 0.00 2.26 2.25 0.00 3.82 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 102 Y 7.92 3.98 0.00 3.32 3.21 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 0.00 103 L 7.38 4.39 0.00 0.87 1.34 0.89 0.18 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 0.00 104 L 7.46 3.61 0.00 1.49 1.73 0.83 0.85 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 0.00 105 P 0.00 4.09 0.00 1.86 2.11 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 106 Y 7.57 4.07 0.00 3.21 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 0.00 107 I 7.71 3.66 1.68 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.68 0.75 0.00 0.00 108 L 8.06 3.98 0.00 1.63 1.71 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.23 3.89 0.00 2.08 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 2.32 2.32 0.00 110 A 8.07 4.04 1.41 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 0.00 0.00 111 E 8.59 3.92 0.00 2.19 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 2.39 2.55 0.00 112 A 8.15 3.95 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 A 8.11 3.91 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 0.00 114 A 8.18 3.92 1.41 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 0.00 0.00 115 K 8.49 3.88 0.00 1.91 2.01 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.50 7.81 116 E 8.45 3.94 0.00 2.07 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 2.31 2.32 0.00 117 K 7.99 3.95 0.00 1.91 1.94 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.45 7.81 118 D 7.91 4.31 0.00 2.71 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 0.00 119 E 8.22 4.11 0.00 2.31 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 2.35 0.00 120 L 8.45 4.06 0.00 1.63 1.72 0.92 1.10 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 0.00 121 D 8.42 4.57 0.00 2.63 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 0.00 122 N 7.38 4.97 0.00 2.67 2.78 0.00 0.00 6.99 8.01 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 0.00 123 I 7.35 3.75 1.87 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 0.52 0.99 0.00 0.00 124 E 8.50 4.47 0.00 1.98 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 2.28 2.32 0.00 125 V 7.98 4.46 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 0.71 0.00 0.00 0.93 0.00 0.00 126 S 8.65 4.69 0.00 3.78 3.71 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 0.00 0.00 0.00 127 K 8.63 4.20 0.00 1.75 1.68 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.46 7.81