NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6521 8.3644 120.4517 53.9104 43.4438 174.7119 6 S 4.4219 7.5139 111.1226 57.0806 66.0904 171.7696 7 S 5.1108 8.5709 119.9739 55.8074 66.1254 172.2376 8 E 4.6367 8.2647 123.3584 55.3656 32.8221 173.4664 9 E 5.1855 8.8880 126.5676 55.3545 31.5113 175.7133 10 V 4.5850 9.0175 122.7176 61.2974 35.3184 174.0529 11 V 4.9998 8.5539 126.3348 61.4902 34.7280 174.2637 12 G 4.2097 8.9630 112.1776 45.4749 0.0000 170.9299 13 V 5.4690 8.0291 118.5568 59.7554 34.0005 174.8996 14 S 4.2338 8.7678 121.1783 60.1847 62.5264 174.4271 15 G 3.9708 9.5524 115.0197 45.4800 0.0000 173.0688 16 K 4.8225 7.7225 117.9229 53.3535 36.5138 174.3284 17 P 5.0586 0.0000 0.0000 63.0964 32.2986 175.6692 18 V 4.5763 8.4287 119.4706 60.2002 35.3342 173.6824 19 Q 4.6855 8.4940 121.9365 54.3591 32.1776 174.6163 20 L 4.2646 8.8738 126.7342 53.1059 43.0271 175.4763 21 R 4.7509 8.4204 124.9356 53.4409 31.0746 174.0430 22 P 4.9293 0.0000 0.0000 62.6545 32.3176 175.6787 23 S 4.6425 7.9195 112.7685 57.5392 66.3974 173.2222 24 N 4.1451 8.7178 117.0276 54.8576 35.5848 173.9782 25 I 4.5321 7.1187 109.2393 58.5629 40.7824 175.5526 26 Q 4.0638 8.5092 123.7444 56.4315 29.3687 175.7549 27 T 4.4362 8.3471 112.8851 60.8524 69.6792 173.3691 28 K 4.2869 7.6899 121.6675 55.8711 34.4877 175.2341 29 D 4.2629 8.7976 123.8062 55.1234 38.4601 172.7113 30 V 4.7160 7.0406 109.9489 59.7925 36.6475 176.2877 31 S 4.4424 8.3100 116.3751 56.7213 65.6841 173.2797 32 V 4.7675 8.0147 120.4227 61.2946 35.0119 174.2088 33 Q 5.0419 9.2240 125.7703 54.0370 33.0742 173.8860 34 W 5.2544 9.3224 124.0045 55.0762 31.6218 175.3613 35 K 5.2169 9.6113 123.2206 54.5478 36.5688 174.9687 36 K 4.7239 9.0115 123.8627 54.4520 34.8616 175.5731 37 T 4.1295 8.4477 124.2749 63.9842 68.9439 173.7022 38 E 4.4342 8.6628 126.0577 53.9542 30.2459 174.9186 39 Q 4.0948 8.4578 125.5510 57.5067 29.3994 175.8534 40 G 4.3058 9.0046 112.1437 45.8237 0.0000 174.4167 41 S 4.3857 7.1665 113.0410 58.4569 63.6021 174.3069 42 H 4.4042 8.7670 119.7509 58.4816 28.9592 176.2751 43 R 4.3947 7.6838 117.7870 55.0656 30.9773 175.8186 44 K 4.3357 8.3360 123.5485 56.2171 33.5018 176.7368 45 I 4.1029 8.6227 124.6712 60.9494 38.0032 175.4291 46 E 4.4201 8.9786 127.7976 56.9137 29.6911 176.5245 47 I 4.6586 9.3721 125.0717 62.7405 39.6974 175.7020 48 L 4.9545 7.7509 122.4048 53.7954 45.5283 173.7587 49 N 5.5576 9.1590 123.3797 51.3004 42.2608 173.5571 50 W 5.2768 9.7652 132.6086 55.2818 32.9963 175.0104 51 Y 4.4195 9.0856 125.7343 58.1705 37.6331 178.2295 52 N 4.8177 9.4734 128.1451 54.2965 38.0357 174.8936 53 D 4.7910 8.2120 118.3251 53.9856 41.3812 177.0816 54 G 3.8935 8.4285 106.5363 43.8831 0.0000 172.0133 55 P 3.9097 0.0000 0.0000 62.3445 31.4134 175.8221 56 S 4.4963 9.0338 119.0263 55.6792 65.6880 173.5721 57 W 4.8872 8.5067 124.6186 56.8669 29.0009 176.8449 58 S 4.4072 9.2159 120.4074 60.8696 63.1584 174.3495 59 N 4.8730 7.7251 115.7493 50.8487 42.2903 175.4243 60 V 3.6659 8.3555 120.7296 65.8991 32.0629 177.5136 61 S 4.3548 7.8906 113.4798 60.2123 63.6400 176.0085 62 F 4.5057 7.9878 120.3221 60.2087 38.2324 177.1662 63 S 3.0454 7.6299 112.4409 60.1628 63.2075 175.3062 64 D 4.4289 7.5917 121.1722 55.6655 41.0311 177.6888 65 I 3.6397 7.2535 119.8989 63.2006 37.6818 175.0645 66 Y 5.0570 7.2484 115.8148 56.1504 40.5745 175.3884 67 G 4.4508 9.1969 106.7101 44.8607 0.0000 171.5700 68 F 5.3506 8.8322 123.1924 56.2297 42.9928 173.0856 69 D 4.3041 7.6800 125.5826 52.5213 41.9209 176.6123 70 Y 4.5482 8.1313 124.8688 61.1952 38.4305 178.3186 71 G 3.7595 8.5088 108.0330 48.1326 0.0000 174.0045 72 D 4.4709 8.7749 116.7616 51.8656 40.1993 176.9185 73 F 4.0855 8.8941 117.8204 57.6107 37.4628 174.7472 74 A 4.4264 8.4057 124.2067 52.5822 19.2815 176.6680 75 L 4.9086 8.3149 124.8309 53.4296 44.0064 175.4613 76 S 4.9195 8.9024 119.3209 56.5881 67.1548 172.5636 77 I 4.5294 8.2119 122.3436 59.5260 38.6037 176.9117 78 K 3.8716 8.6581 127.7021 59.3497 32.5459 177.5717 79 S 4.4496 7.7448 114.7622 56.2088 64.1103 172.0895 80 A 4.3178 8.9190 127.8857 52.0504 19.5087 176.6537 81 K 4.6061 9.3224 121.4749 54.6822 35.9276 177.4961 82 L 3.9793 8.5764 119.7083 57.9854 41.5020 179.7320 83 Q 4.1796 8.0414 114.1388 58.2538 28.4082 176.7614 84 D 4.6696 7.9385 117.8457 55.6195 41.3503 177.0923 85 S 4.4744 7.9605 116.2826 57.9499 63.4543 174.2476 86 G 4.2217 7.9562 111.6168 44.4545 0.0000 170.5319 87 H 5.3638 8.1610 119.8834 55.4567 31.3228 173.4632 88 Y 5.3064 9.2498 123.0850 56.1445 41.6440 174.3674 89 L 5.3306 9.6089 124.2525 53.3051 45.8286 174.6537 90 L 4.2170 8.7522 128.6415 53.3572 43.8134 174.5504 91 E 5.0682 9.1141 126.7296 54.5915 32.3121 175.0547 92 I 5.0117 8.4790 125.3566 59.5830 40.3527 174.5820 93 T 5.4526 8.8004 117.3759 59.0072 71.8237 173.8070 94 N 4.9747 8.4235 122.3365 51.4481 39.9469 175.6592 95 T 3.9074 8.5495 108.1718 64.2883 68.8789 175.8023 96 G 3.5545 8.0395 110.4290 46.9135 0.0000 174.5293 97 G 3.9567 8.2158 107.4011 44.6491 0.0000 173.3676 98 K 4.2317 8.3532 120.7219 56.1130 33.2044 176.2805 99 V 4.6839 8.3570 118.5866 59.9963 33.5076 174.8692 100 C 4.4889 9.2128 126.8413 58.1225 32.6322 171.8527 101 N 5.2296 8.6325 124.4302 51.9473 40.3730 174.2647 102 K 4.5699 9.0630 123.7988 54.8087 34.5036 175.0138 103 N 5.3621 9.0130 123.7092 52.2225 40.8952 174.6704 104 F 5.1445 9.1635 119.7464 56.0388 44.0328 173.2390 105 Q 5.0904 9.8368 125.2870 54.4435 31.2254 173.6845 106 L 5.0873 9.3869 129.9234 53.6699 44.1407 174.8726 107 L 4.9691 9.1789 126.8840 53.1497 44.4451 175.4237 108 I 4.7320 8.3887 125.7902 59.6352 38.8382 175.5163 109 L 4.3769 9.0679 128.6501 53.3449 42.8732 176.8653 110 D 4.4418 8.6471 122.7711 54.4766 41.2356 175.6501 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 8.36 4.65 0.00 2.67 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 6 S 7.51 4.42 0.00 3.83 3.52 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 7 S 8.57 5.11 0.00 3.86 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.26 4.64 0.00 1.65 1.53 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 2.29 2.26 0.00 9 E 8.89 5.19 0.00 1.93 1.91 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 2.32 2.33 0.00 10 V 9.02 4.58 2.18 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 1.03 0.00 0.00 1.12 0.00 0.00 11 V 8.55 5.00 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 0.92 0.00 0.00 0.96 0.00 0.00 12 G 8.96 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 0.00 0.00 0.00 0.00 13 V 8.03 5.47 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 0.84 0.00 0.00 0.92 0.00 0.00 14 S 8.77 4.23 0.00 3.85 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 15 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 16 K 7.72 4.82 0.00 1.82 1.61 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.33 7.81 17 P 0.00 5.06 0.00 2.01 2.11 0.00 3.67 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 1.94 1.92 0.00 18 V 8.43 4.58 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 0.56 0.00 0.00 0.87 0.00 0.00 19 Q 8.49 4.69 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.99 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 20 L 8.87 4.26 0.00 0.76 0.28 -0.07 0.41 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 21 R 8.42 4.75 0.00 1.77 1.91 0.00 3.26 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 22 P 0.00 4.93 0.00 2.38 2.35 0.00 4.00 0.00 0.00 4.25 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 23 S 7.92 4.64 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 24 N 8.72 4.15 0.00 2.86 2.88 0.00 0.00 6.78 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 25 I 7.12 4.53 1.89 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 1.25 0.52 0.95 0.00 0.00 26 Q 8.51 4.06 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 27 T 8.35 4.44 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 28 K 7.69 4.29 0.00 1.67 1.69 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.31 7.81 29 D 8.80 4.26 0.00 2.74 2.71 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 30 V 7.04 4.72 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 0.80 0.00 0.00 0.89 0.00 0.00 31 S 8.31 4.44 0.00 2.72 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 32 V 8.01 4.77 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 0.59 0.00 0.00 0.21 0.00 0.00 33 Q 9.22 5.04 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.56 0.00 0.00 0.00 0.00 0.00 2.65 2.41 0.00 34 W 9.32 5.25 0.00 3.17 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 35 K 9.61 5.22 0.00 1.72 1.70 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.43 7.81 36 K 9.01 4.72 0.00 1.50 1.48 0.00 1.42 0.00 0.00 1.50 0.00 0.00 2.67 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.93 0.21 7.81 37 T 8.45 4.13 4.37 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 1.22 0.00 0.00 38 E 8.66 4.43 0.00 1.98 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 2.27 2.30 0.00 39 Q 8.46 4.09 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.44 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 40 G 9.00 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 0.00 0.00 0.00 0.00 41 S 7.17 4.39 0.00 4.09 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 42 H 8.77 4.40 0.00 3.17 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.68 4.39 0.00 1.79 1.84 0.00 3.24 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 44 K 8.34 4.34 0.00 1.72 1.76 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.51 7.81 45 I 8.62 4.10 2.03 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 1.31 0.60 1.13 0.00 0.00 46 E 8.98 4.42 0.00 1.93 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 2.37 2.39 0.00 47 I 9.37 4.66 1.99 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.72 0.30 0.00 0.00 48 L 7.75 4.95 0.00 1.40 1.35 0.14 -1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 49 N 9.16 5.56 0.00 2.66 2.86 0.00 0.00 6.10 8.45 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 50 W 9.77 5.28 0.00 2.99 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 9.09 4.42 0.00 2.98 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 0.00 0.00 0.00 52 N 9.47 4.82 0.00 2.89 3.01 0.00 0.00 5.77 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 53 D 8.21 4.79 0.00 2.68 2.71 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 54 G 8.43 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 0.00 0.00 0.00 55 P 0.00 3.91 0.00 1.41 1.02 0.00 3.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.54 0.00 56 S 9.03 4.50 0.00 3.75 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 57 W 8.51 4.89 0.00 3.27 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 58 S 9.22 4.41 0.00 3.95 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 59 N 7.73 4.87 0.00 1.44 2.20 0.00 0.00 6.79 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 60 V 8.36 3.67 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 0.81 0.00 0.00 0.92 0.00 0.00 61 S 7.89 4.35 0.00 4.07 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 0.00 62 F 7.99 4.51 0.00 3.33 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 63 S 7.63 3.05 0.00 3.91 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 64 D 7.59 4.43 0.00 2.72 2.66 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 65 I 7.25 3.64 1.27 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 1.18 0.44 -0.04 0.00 0.00 66 Y 7.25 5.06 0.00 1.89 2.66 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 67 G 9.20 4.45 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 0.00 0.00 0.00 68 F 8.83 5.35 0.00 2.81 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 69 D 7.68 4.30 0.00 2.66 2.47 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 70 Y 8.13 4.55 0.00 3.15 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 71 G 8.51 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.77 4.47 0.00 2.65 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 73 F 8.89 4.09 0.00 3.31 3.55 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 74 A 8.41 4.43 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 75 L 8.31 4.91 0.00 0.27 0.13 0.75 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.90 4.92 0.00 3.90 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 77 I 8.21 4.53 1.72 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 1.17 0.46 0.67 0.00 0.00 78 K 8.66 3.87 0.00 1.48 1.77 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.26 7.81 79 S 7.74 4.45 0.00 3.76 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 80 A 8.92 4.32 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 81 K 9.32 4.61 0.00 1.74 1.90 0.00 1.29 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.24 1.33 7.81 82 L 8.58 3.98 0.00 1.77 1.77 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.04 4.18 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.04 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 84 D 7.94 4.67 0.00 2.86 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 85 S 7.96 4.47 0.00 3.99 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 86 G 7.96 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 0.00 0.00 0.00 0.00 87 H 8.16 5.36 0.00 3.38 3.20 0.00 5.61 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 9.25 5.31 0.00 3.24 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 89 L 9.61 5.33 0.00 1.71 1.53 0.97 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.75 4.22 0.00 0.82 1.17 0.94 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 91 E 9.11 5.07 0.00 1.84 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 2.40 2.22 0.00 92 I 8.48 5.01 1.86 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.66 0.99 0.00 0.00 93 T 8.80 5.45 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 1.19 0.00 0.00 94 N 8.42 4.97 0.00 2.82 3.10 0.00 0.00 6.00 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 95 T 8.55 3.91 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 96 G 8.04 3.55 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 0.00 0.00 0.00 97 G 8.22 3.96 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 0.00 0.00 0.00 98 K 8.35 4.23 0.00 1.84 1.73 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.41 7.81 99 V 8.36 4.68 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 0.66 0.00 0.00 0.95 0.00 0.00 100 C 9.21 4.49 0.00 2.93 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 0.00 101 N 8.63 5.23 0.00 2.67 2.71 0.00 0.00 6.88 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 0.00 102 K 9.06 4.57 0.00 1.61 1.69 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.53 7.81 103 N 9.01 5.36 0.00 2.79 2.85 0.00 0.00 6.41 7.86 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 0.00 104 F 9.16 5.14 0.00 3.29 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.84 5.09 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 106 L 9.39 5.09 0.00 1.82 1.80 0.94 0.38 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 0.00 107 L 9.18 4.97 0.00 1.60 1.58 1.10 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.39 4.73 1.89 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 1.26 1.01 0.90 0.00 0.00 109 L 9.07 4.38 0.00 1.79 1.60 0.93 0.76 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 0.00 110 D 8.65 4.44 0.00 2.63 2.54 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