NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6112 8.3493 120.5295 54.2147 42.2499 174.5197 6 V 4.3042 8.0908 122.8285 59.5523 34.3663 174.4298 7 D 4.7661 8.7032 119.9616 53.4038 42.9478 176.8846 8 S 4.0816 8.2139 118.6831 61.1275 63.4714 175.7434 9 G 3.9932 7.9350 106.5431 45.3485 0.0000 173.4984 10 S 4.2453 7.8657 114.6860 58.3675 62.5797 174.0822 11 K 4.5048 8.5663 124.5389 56.1067 32.6674 177.7310 12 K 4.2072 7.7525 118.0653 57.8721 33.0961 178.4402 13 Y 4.2103 7.9809 117.8479 60.0491 37.9476 177.6889 14 L 3.8422 6.3696 118.6226 56.7642 41.6780 177.7475 15 S 4.5764 7.3544 110.0005 57.5185 62.6315 173.1199 16 N 4.5115 7.9328 117.7922 53.6479 39.2823 175.5743 17 H 4.4330 8.8368 122.0051 58.4129 29.2728 177.0990 18 K 4.1174 8.4719 118.5592 57.8749 32.8263 177.5919 19 G 4.0090 7.4991 102.8902 44.0933 0.0000 174.1734 20 I 3.8101 8.1967 125.6517 61.0428 37.3444 175.4003 21 F 4.3376 8.8397 128.7866 57.1182 38.6765 174.8907 22 I 4.0312 7.4966 130.0983 59.5248 37.3180 175.5844 23 H 4.0013 8.3971 126.3394 55.8638 30.3563 174.6663 24 V 4.3382 7.3008 124.4249 59.9248 34.0890 175.0761 25 T 4.2123 8.3394 111.3696 61.1075 69.8714 175.0048 26 L 4.0806 8.3338 119.8158 57.6245 41.7350 179.0406 27 E 3.9449 8.0658 119.3051 59.1309 29.7297 178.2428 28 E 4.1900 7.7628 116.7085 58.2018 29.9539 178.4041 29 L 3.9367 7.5304 121.2896 58.3092 41.9653 179.1604 30 K 4.0752 7.5387 116.3319 59.4524 32.1188 179.2278 31 R 4.0336 8.0199 118.4360 59.0633 29.9023 178.0880 32 Y 4.0845 8.1899 119.9540 60.8272 38.6006 176.4550 33 H 4.3842 7.9118 113.5604 56.0906 28.8813 176.1668 34 Q 4.4350 7.2455 119.3586 55.1679 29.9763 175.6531 35 L 4.2709 6.8448 119.3954 54.9417 42.5787 177.5585 36 T 4.0832 9.0207 112.6611 61.0217 70.9223 173.8307 37 P 4.1920 0.0000 0.0000 66.0308 31.3767 178.5874 38 E 3.9700 8.0650 117.5497 59.1433 29.6024 178.7876 39 Q 3.9653 7.7877 118.0276 58.8871 28.8617 178.6158 40 K 3.8931 7.8981 119.5385 59.3468 31.9271 179.3635 41 R 3.8856 7.9011 118.6877 59.4599 30.0302 178.5702 42 L 3.9964 7.7833 118.2798 57.8989 41.5793 179.6015 43 I 3.7626 7.8539 119.8012 64.2984 37.0043 178.5091 44 R 3.8912 8.0884 119.2999 59.3605 29.9804 178.3607 45 A 4.0505 8.2574 120.7680 55.2050 18.3200 179.7192 46 I 3.6732 7.9641 118.2646 64.6020 37.1868 178.7934 47 V 3.6532 7.8075 119.0621 65.9442 31.3837 178.1860 48 K 3.9890 8.5527 118.6147 59.8022 31.9078 179.4405 49 T 3.9329 8.0611 115.9390 66.7270 68.1560 176.7443 50 L 4.0497 8.1959 120.1784 57.7845 41.6677 179.3168 51 I 3.8419 7.8107 119.2027 64.6380 37.1327 177.7484 52 H 4.6261 8.0428 115.2123 56.6838 30.3377 175.5157 53 N 5.0413 8.1554 117.8659 50.7017 38.5255 173.2032 54 P 4.5824 0.0000 0.0000 64.0957 32.0351 178.4904 55 Q 4.1571 7.9835 116.4157 58.0020 28.7423 178.0257 56 L 4.1060 8.0543 119.2182 57.2651 41.8585 179.3072 57 L 4.2137 7.6997 118.6124 57.2918 41.6284 178.9781 58 D 4.4632 7.8030 116.8442 56.3048 41.1848 176.8317 59 E 4.5412 7.7123 116.6496 56.5105 30.0564 178.1636 60 S 4.2164 8.0083 117.0554 61.5879 62.9646 176.0089 61 S 4.2120 8.3122 115.4595 61.8521 61.9311 175.6454 62 Y 4.0066 8.0407 121.4126 60.5112 38.6948 177.4027 63 L 3.8359 7.8140 120.7937 58.4842 42.3786 178.4957 64 Y 4.2078 8.1009 115.9935 60.3749 37.8789 178.0938 65 R 4.0151 7.9013 119.0413 58.5294 30.1220 178.5746 66 L 3.6760 7.9270 120.7345 58.1164 42.2218 179.0895 67 L 3.9314 7.8613 118.6511 57.6606 41.3450 179.3452 68 A 4.0167 7.8951 120.3466 55.2864 18.2733 179.9689 69 S 4.1200 7.9971 113.5634 61.7084 62.7416 177.0637 70 K 4.5786 8.4644 121.4070 58.7458 31.7396 178.9380 71 A 4.1234 7.6725 120.3571 55.0445 18.3510 179.4379 72 I 3.8310 7.1250 116.2946 63.4949 37.8558 176.5365 73 S 4.6007 7.6891 111.9871 56.7723 65.5278 174.8278 74 Q 3.6581 8.4493 126.7523 58.3321 29.1158 175.8346 75 F 4.8453 7.7735 117.4075 56.0307 39.3313 175.0780 76 V 5.0250 8.2120 122.5681 60.9585 34.9741 173.9356 77 C 4.5578 8.4910 126.2635 57.8727 32.1869 172.9048 78 P 4.4885 0.0000 0.0000 65.5942 31.4330 177.8501 79 L 4.2704 8.1500 117.5697 57.0887 41.3558 177.3874 80 C 4.6284 8.1134 110.9487 57.0194 30.9602 173.9338 81 L 3.6542 8.4040 119.5609 56.1609 38.9149 173.6372 82 M 4.6422 7.3041 114.9381 52.9369 33.9090 174.3366 83 P 4.7297 0.0000 0.0000 62.8776 32.4844 175.4807 84 F 4.9356 9.1971 120.2566 55.4941 42.2307 175.5673 85 S 4.3331 9.0912 115.8493 61.1724 63.3227 174.5384 86 S 3.9730 7.9642 114.6361 55.4299 67.3039 174.9621 87 S 3.7056 6.8938 116.0744 61.1305 62.7461 176.5847 88 V 3.4779 7.3486 121.6861 65.8371 31.3852 178.0367 89 S 4.1402 7.6726 113.6775 60.9034 62.9281 176.2392 90 L 3.0959 7.6220 124.2390 57.4577 41.9536 178.5753 91 K 4.1471 7.8647 117.3083 58.3385 32.9489 178.6669 92 Q 4.0857 7.8169 121.4113 59.4172 28.9607 177.4063 93 H 4.1108 7.7709 118.8675 59.3031 29.6663 177.3947 94 I 3.5729 7.3167 120.3329 64.2477 36.9802 178.1797 95 R 3.7749 7.7774 118.4460 58.9533 29.9880 177.2363 96 Y 4.6139 7.8505 113.7418 58.2386 39.7411 176.6096 97 T 4.3298 8.1078 114.5918 63.2832 70.8094 173.7426 98 E 4.1623 7.7609 121.9555 55.6238 29.3659 175.0303 99 H 4.9149 8.5070 121.9321 55.5028 29.9999 174.1637 100 T 4.0821 8.7133 115.9499 62.2180 67.4959 174.1449 101 K 4.5464 8.6888 126.1999 56.6521 33.9927 175.8212 102 V 4.6007 7.3367 119.4858 61.3320 33.2087 174.9493 103 C 4.5294 8.8001 128.7292 58.4002 31.8922 172.6553 104 P 4.3315 0.0000 0.0000 64.9677 31.1379 177.3433 105 V 3.5925 7.2709 118.3379 64.4270 31.8928 176.1546 106 C 4.4137 7.7227 111.9346 57.4456 30.6970 174.3127 107 K 3.9910 8.1451 118.6314 56.8629 29.7345 175.6354 108 K 4.1782 7.7410 120.1818 55.9333 33.4634 175.2125 109 E 5.0138 8.0193 126.0010 53.9421 32.1493 174.2657 110 F 4.9050 8.2660 120.7282 56.3408 43.2408 175.4336 111 T 4.0398 9.0281 116.7334 66.3624 68.6579 175.7755 112 S 4.9152 7.7470 115.2493 56.3612 67.2176 174.7963 113 T 4.1385 8.2868 112.7368 64.5902 68.7535 176.5706 114 D 4.2807 7.9765 121.8921 57.3440 40.9589 178.5379 115 S 3.9980 7.9670 115.1529 61.2427 62.7806 176.5080 116 A 2.9199 7.3967 123.1763 54.5171 18.1148 179.7044 117 L 3.8088 7.7844 117.5043 58.1867 41.7990 179.3214 118 D 4.3285 7.9618 118.6921 57.6305 40.6270 178.5998 119 H 4.0671 7.8254 118.3577 59.3646 29.9665 177.6458 120 V 3.5995 7.7042 119.7050 65.5346 31.3587 177.1051 121 C 4.4569 8.0300 118.2866 59.3204 43.4474 175.6688 122 K 3.9493 8.3421 119.2575 58.5907 31.8336 178.0827 123 K 4.4200 8.0633 115.1362 56.4375 33.0368 176.1849 124 H 4.7214 7.5642 113.4222 54.0992 30.6174 172.8124 125 N 4.6219 8.1733 115.5424 54.0419 36.9844 173.4898 126 I 4.4378 7.8448 117.6465 59.3193 38.3148 174.6655 127 C 5.1594 8.5589 122.0837 55.1234 43.7052 174.2369 128 V 4.6718 7.9659 114.5109 59.4295 35.3764 175.7034 129 S 4.3027 8.7668 117.4929 59.1257 62.6115 174.4234 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 5 D 8.35 4.61 0.00 2.68 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 6 V 8.09 4.30 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 0.68 0.00 0.00 0.91 0.00 0.00 7 D 8.70 4.77 0.00 2.71 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 4.08 0.00 3.88 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 9 G 7.94 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 0.00 0.00 0.00 10 S 7.87 4.25 0.00 4.11 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 11 K 8.57 4.50 0.00 1.79 1.61 0.00 1.68 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.46 7.81 12 K 7.75 4.21 0.00 1.97 2.02 0.00 1.32 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.38 7.81 13 Y 7.98 4.21 0.00 3.07 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 14 L 6.37 3.84 0.00 1.45 1.53 0.70 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.35 4.58 0.00 3.70 3.70 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 0.00 0.00 0.00 0.00 16 N 7.93 4.51 0.00 2.93 2.71 0.00 0.00 7.13 7.89 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 17 H 8.84 4.43 0.00 3.17 3.38 0.00 5.96 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.47 4.12 0.00 1.98 1.96 0.00 1.71 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.45 7.81 19 G 7.50 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 20 I 8.20 3.81 1.89 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 1.35 0.61 0.92 0.00 0.00 21 F 8.84 4.34 0.00 3.00 3.03 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 22 I 7.50 4.03 1.60 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 1.21 0.59 0.75 0.00 0.00 23 H 8.40 4.00 0.00 3.15 3.19 0.00 5.89 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.30 4.34 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 0.69 0.00 0.00 0.90 0.00 0.00 25 T 8.34 4.21 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 1.20 0.00 0.00 26 L 8.33 4.08 0.00 1.71 1.75 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.07 3.94 0.00 2.03 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 0.00 2.37 2.36 0.00 28 E 7.76 4.19 0.00 2.33 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 2.23 2.25 0.00 29 L 7.53 3.94 0.00 1.87 1.93 0.96 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.54 4.08 0.00 1.80 1.88 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.57 7.81 31 R 8.02 4.03 0.00 2.11 2.09 0.00 3.10 0.00 0.00 3.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 32 Y 8.19 4.08 0.00 3.10 3.10 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 33 H 7.91 4.38 0.00 3.18 3.35 0.00 5.87 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 34 Q 7.25 4.44 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.10 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 35 L 6.84 4.27 0.00 1.42 1.50 0.65 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 36 T 9.02 4.08 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 1.18 0.00 0.00 37 P 0.00 4.19 0.00 2.15 2.14 0.00 3.56 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 2.10 2.13 0.00 38 E 8.07 3.97 0.00 2.06 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 2.36 2.44 0.00 39 Q 7.79 3.97 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 40 K 7.90 3.89 0.00 1.88 1.83 0.00 1.51 0.00 0.00 1.41 0.00 0.00 2.29 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.71 1.08 7.81 41 R 7.90 3.89 0.00 2.06 2.08 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 42 L 7.78 4.00 0.00 1.94 1.72 0.92 0.81 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 43 I 7.85 3.76 2.12 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 1.47 0.74 1.01 0.00 0.00 44 R 8.09 3.89 0.00 2.08 2.12 0.00 3.13 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 1.66 1.68 0.00 45 A 8.26 4.05 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 46 I 7.96 3.67 2.06 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 1.44 0.75 0.98 0.00 0.00 47 V 7.81 3.65 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 1.12 0.00 0.00 0.98 0.00 0.00 48 K 8.55 3.99 0.00 2.01 1.91 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.70 7.81 49 T 8.06 3.93 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 1.24 0.00 0.00 50 L 8.20 4.05 0.00 1.77 1.76 0.98 0.83 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 51 I 7.81 3.84 1.99 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 1.51 0.61 0.80 0.00 0.00 52 H 8.04 4.63 0.00 3.19 3.35 0.00 5.60 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.16 5.04 0.00 2.72 2.71 0.00 0.00 6.84 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 54 P 0.00 4.58 0.00 2.19 2.10 0.00 3.61 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 55 Q 7.98 4.16 0.00 2.21 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 56 L 8.05 4.11 0.00 1.84 1.79 0.94 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.70 4.21 0.00 1.86 1.75 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.80 4.46 0.00 2.83 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 59 E 7.71 4.54 0.00 2.22 1.99 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 2.38 2.38 0.00 60 S 8.01 4.22 0.00 4.08 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 61 S 8.31 4.21 0.00 3.96 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 62 Y 8.04 4.01 0.00 3.14 3.15 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 63 L 7.81 3.84 0.00 1.91 1.60 0.84 0.34 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 64 Y 8.10 4.21 0.00 3.09 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 65 R 7.90 4.02 0.00 1.99 1.88 0.00 3.15 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 66 L 7.93 3.68 0.00 1.19 1.64 0.83 0.48 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 67 L 7.86 3.93 0.00 1.75 1.69 0.72 0.76 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 68 A 7.90 4.02 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 69 S 8.00 4.12 0.00 3.99 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 70 K 8.46 4.58 0.00 1.77 1.83 0.00 1.61 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.42 7.81 71 A 7.67 4.12 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 72 I 7.13 3.83 1.99 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 1.38 0.68 0.88 0.00 0.00 73 S 7.69 4.60 0.00 3.85 3.68 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 0.00 0.00 0.00 0.00 74 Q 8.45 3.66 0.00 1.70 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 1.52 2.04 0.00 75 F 7.77 4.85 0.00 3.45 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 76 V 8.21 5.03 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 0.80 0.00 0.00 0.96 0.00 0.00 77 C 8.49 4.56 0.00 3.28 2.96 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 0.00 0.00 0.00 78 P 0.00 4.49 0.00 2.15 2.20 0.00 3.79 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 79 L 8.15 4.27 0.00 1.71 1.79 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 80 C 8.11 4.63 0.00 3.16 3.37 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 81 L 8.40 3.65 0.00 1.74 1.71 0.51 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 82 M 7.30 4.64 0.00 1.70 1.90 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.76 0.00 83 P 0.00 4.73 0.00 2.01 2.02 0.00 3.53 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 84 F 9.20 4.94 0.00 2.93 2.98 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 85 S 9.09 4.33 0.00 4.02 4.06 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 86 S 7.96 3.97 0.00 3.72 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 87 S 6.89 3.71 0.00 3.95 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 88 V 7.35 3.48 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 1.03 0.00 0.00 0.85 0.00 0.00 89 S 7.67 4.14 0.00 4.16 4.11 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 90 L 7.62 3.10 0.00 1.89 1.82 0.95 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.86 4.15 0.00 1.97 1.97 0.00 1.33 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.39 7.81 92 Q 7.82 4.09 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 93 H 7.77 4.11 0.00 2.82 2.79 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 7.32 3.57 1.78 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.73 0.83 0.00 0.00 95 R 7.78 3.77 0.00 1.64 1.73 0.00 2.99 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.12 0.00 96 Y 7.85 4.61 0.00 3.10 2.93 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 97 T 8.11 4.33 4.34 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 1.31 0.00 0.00 98 E 7.76 4.16 0.00 1.57 1.70 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 0.00 2.26 2.35 0.00 99 H 8.51 4.91 0.00 3.18 3.25 0.00 5.76 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 8.71 4.08 4.33 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 1.31 0.00 0.00 101 K 8.69 4.55 0.00 1.78 2.08 0.00 2.05 0.00 0.00 1.81 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.40 7.81 102 V 7.34 4.60 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 0.73 0.00 0.00 0.96 0.00 0.00 103 C 8.80 4.53 0.00 3.33 2.93 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 0.00 104 P 0.00 4.33 0.00 2.34 2.30 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.29 0.00 105 V 7.27 3.59 1.46 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 0.61 0.00 0.00 -0.09 0.00 0.00 106 C 7.72 4.41 0.00 3.17 3.15 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 0.00 107 K 8.15 3.99 0.00 1.96 2.00 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.50 7.81 108 K 7.74 4.18 0.00 1.76 1.51 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.31 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.80 1.18 7.81 109 E 8.02 5.01 0.00 1.86 1.62 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 2.17 2.13 0.00 110 F 8.27 4.91 0.00 2.97 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 0.00 111 T 9.03 4.04 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 1.24 0.00 0.00 112 S 7.75 4.92 0.00 3.99 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 0.00 113 T 8.29 4.14 4.31 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 1.28 0.00 0.00 114 D 7.98 4.28 0.00 2.69 2.70 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 0.00 0.00 0.00 0.00 115 S 7.97 4.00 0.00 4.00 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 0.00 116 A 7.40 2.92 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 0.00 117 L 7.78 3.81 0.00 1.83 1.67 0.87 0.89 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 0.00 118 D 7.96 4.33 0.00 2.59 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 0.00 119 H 7.83 4.07 0.00 3.10 3.08 0.00 5.78 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 0.00 120 V 7.70 3.60 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 0.99 0.00 0.00 0.99 0.00 0.00 121 C 8.03 4.46 0.00 3.05 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 0.00 122 K 8.34 3.95 0.00 1.78 1.83 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.19 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.55 7.81 123 K 8.06 4.42 0.00 1.60 1.58 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.33 7.81 124 H 7.56 4.72 0.00 3.26 3.22 0.00 5.84 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 0.00 125 N 8.17 4.62 0.00 2.84 2.88 0.00 0.00 7.18 7.94 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 0.00 126 I 7.84 4.44 1.95 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.04 1.00 0.00 0.00 127 C 8.56 5.16 0.00 2.91 2.94 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 0.00 128 V 7.97 4.67 2.12 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 0.83 0.00 0.00 0.95 0.00 0.00 129 S 8.77 4.30 0.00 3.89 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