NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.5275 8.3044 120.2859 55.3014 33.8706 173.9388 3 V 4.1977 8.1224 122.1401 60.1235 33.5751 172.8802 4 W 4.7162 9.1101 135.0000 57.3366 31.8163 174.8573 5 T 4.2079 7.9720 122.9694 60.8673 67.4562 172.7075 6 P 4.5744 0.0000 0.0000 63.4944 32.1577 176.0372 7 V 4.2640 7.3272 119.0884 61.1016 34.0349 174.2571 8 N 4.6906 8.6818 124.5421 52.2488 38.9332 175.2015 9 N 4.9770 8.2541 125.4843 52.5045 39.2750 175.0361 10 K 4.0803 8.1332 117.8569 56.7466 33.0185 177.4275 11 M 4.9016 8.2744 122.8783 54.3644 34.8404 175.7855 12 F 4.5551 8.4328 116.1082 56.8913 40.8416 175.5165 13 E 3.5877 8.4092 121.7421 56.8348 28.0817 174.3443 14 T 3.8582 8.4024 118.5738 66.6772 68.7854 174.2194 15 F 4.4974 9.0257 123.6220 57.8266 36.6388 175.9662 16 S 4.7035 8.3855 114.2684 59.3058 63.1101 174.2834 17 Y 4.3662 8.1082 117.6797 58.3487 38.5703 175.4487 18 L 4.5770 7.5535 120.5408 52.5079 43.3128 174.2572 19 P 4.5555 0.0000 0.0000 61.6229 32.0798 174.4848 20 P 4.3027 0.0000 0.0000 62.9440 31.8205 176.1167 21 L 4.0795 8.2602 121.9969 54.5147 42.3566 177.4492 22 T 4.1635 8.1964 113.4182 61.1216 69.6383 175.1580 23 D 4.3633 8.6818 122.4184 57.0097 41.2741 178.3170 24 E 4.1856 7.9992 118.8569 57.9265 30.7880 178.0017 25 Q 3.8965 8.1369 118.2986 58.7133 28.6670 178.3109 26 I 3.5799 7.8196 120.7249 64.6419 37.2374 178.2915 27 A 4.0675 7.7838 120.8948 55.1232 18.2520 179.5647 28 A 4.0036 7.9738 119.4653 55.2029 18.3141 179.9581 29 Q 4.0502 8.0692 116.6241 59.3151 28.8315 178.9993 30 V 3.7191 8.0649 119.1822 66.1951 31.4096 177.7623 31 D 4.3720 8.2694 118.7128 57.4693 40.4549 178.0384 32 Y 4.1331 7.7378 118.4039 60.7252 38.9765 177.7943 33 I 4.0434 8.2538 120.9315 64.7908 37.4639 178.6514 34 V 3.5550 8.1152 118.6874 65.8505 31.1155 177.8598 35 A 3.9194 8.1335 120.2833 54.5229 18.2574 178.3395 36 N 4.0802 7.0509 112.2733 52.3644 38.7862 176.2072 37 G 3.8414 7.2690 108.2534 45.1878 0.0000 173.9297 38 W 4.9132 7.4416 118.4474 56.4064 30.5136 175.8329 39 I 4.3880 8.9325 124.5009 60.0301 37.9038 173.8617 40 P 4.9772 0.0000 0.0000 62.8349 33.4450 174.4481 41 C 5.0262 8.6399 119.1874 58.6610 35.6751 172.3210 42 L 5.3676 8.6644 123.2279 53.0878 44.6518 175.2609 43 E 5.5872 9.2916 121.8093 54.7871 33.7928 174.7589 44 F 5.6064 9.0472 116.2942 55.8309 42.1610 173.0129 45 A 4.5394 8.3114 120.0044 50.2355 22.3052 176.2769 46 E 4.4143 8.5864 118.7184 55.3411 30.7782 177.5528 47 A 4.0774 8.6477 121.9834 55.7318 18.4951 179.0378 48 D 4.5316 7.7679 115.3605 57.5777 41.1747 179.4339 49 K 4.4104 8.1748 112.2501 56.7026 31.4746 177.7239 50 A 4.0207 8.0335 124.9393 53.3282 19.4649 178.2079 51 Y 4.7341 7.3521 111.8930 55.8453 39.7618 175.7437 52 V 4.0771 8.6592 122.9326 62.8951 32.1953 175.3371 53 S 4.6370 8.2944 121.0498 58.2625 66.0009 172.8604 54 N 5.1524 8.3623 112.0941 52.5015 37.0686 174.2131 55 E 4.2600 8.0260 114.6857 58.0957 31.3771 177.9934 56 S 4.2163 8.1896 115.2214 59.9163 63.3594 175.5147 57 A 2.6381 7.4360 122.5097 52.9265 18.2318 178.8286 58 I 3.6809 7.4083 115.3612 62.9314 38.1636 176.4304 59 R 4.4169 7.3356 116.7449 56.3880 30.6984 176.3556 60 F 4.9360 7.4416 117.1779 56.2685 41.1114 176.9370 61 G 4.1777 8.0816 118.4752 46.3609 0.0000 174.9116 62 S 4.5890 8.6976 120.6658 59.1637 62.5464 174.6140 63 V 4.3529 7.6558 112.3979 61.4064 31.8002 176.1086 64 S 4.8452 8.0637 112.0151 58.3949 63.2343 173.3638 65 C 4.1819 8.0183 119.2715 61.1042 28.0419 173.3986 66 L 3.6057 8.4699 125.0332 56.0452 38.7006 173.6455 67 Y 4.5437 7.5949 118.5272 55.8285 40.7209 174.1128 68 Y 4.7649 7.5585 123.6369 56.1160 42.1518 174.9404 69 D 4.3572 8.7697 124.2321 55.5867 41.8199 176.2321 70 N 4.7354 8.8394 116.3184 54.6624 35.7281 177.2792 71 R 3.8831 8.0406 119.0259 59.2528 30.4091 177.1836 72 Y 4.4568 7.6730 114.9800 57.6852 38.3890 174.9365 73 W 4.9871 8.6999 124.1704 55.3181 32.6208 174.7845 74 T 4.2604 8.1338 117.5094 62.5870 69.3357 174.6700 75 M 4.6204 8.5097 126.6952 55.2752 33.1986 175.1910 76 W 4.7734 9.8820 135.0000 56.3806 31.4002 176.8449 77 K 3.4502 8.5600 128.6750 57.4863 30.6061 178.2947 78 L 4.9424 8.3480 125.3211 52.7291 45.3673 173.9217 79 P 4.4333 0.0000 0.0000 63.2964 31.6823 177.4588 80 M 4.2952 7.9249 122.6508 53.7395 30.7239 175.0189 81 F 4.3310 8.0201 121.1188 58.3291 39.9574 176.1717 82 G 3.9134 9.1309 111.4096 46.2890 0.0000 173.3880 83 C 4.3516 7.9387 119.3978 59.6203 29.9918 173.1300 84 R 4.4640 8.1827 129.2498 56.3583 30.6099 176.9862 85 D 4.7802 7.8246 118.5527 51.3538 41.9733 173.7802 86 P 4.3331 0.0000 0.0000 65.7033 31.4318 178.2401 87 M 4.0749 8.1950 117.0655 58.6813 32.0385 178.4836 88 Q 4.0583 8.0234 118.8792 58.7197 29.1532 178.3671 89 V 3.6072 7.7327 119.1772 66.0499 31.8702 177.8100 90 L 4.0386 7.6669 118.3783 57.8621 41.3805 179.8132 91 R 3.9640 7.9714 117.7661 59.3243 30.0283 178.9634 92 E 4.1663 8.2346 118.2415 59.3129 29.4038 179.3477 93 I 3.5572 7.8758 119.9971 64.2707 37.1499 178.6275 94 V 3.4891 7.8825 119.6183 65.4293 31.4165 177.5871 95 A 3.9408 8.2487 120.9659 55.5482 18.0737 179.2681 96 C 2.4500 7.4510 116.8236 62.0457 31.3175 175.8331 97 T 3.7198 7.5853 111.4560 64.5145 67.9518 176.2845 98 K 3.8572 7.7470 121.3824 59.2845 32.3332 178.4319 99 A 4.0181 7.5203 119.7143 53.3739 19.3318 177.4635 100 F 4.6291 7.9977 117.0677 54.5567 39.1657 173.8247 101 P 4.4223 0.0000 0.0000 64.3187 31.6867 177.9234 102 D 4.6362 8.0842 116.3666 53.8356 41.1184 175.4382 103 A 4.8223 7.1357 119.8921 50.2887 21.3943 177.0713 104 Y 4.1831 8.5408 118.0310 57.9368 39.4263 175.3017 105 V 5.2578 8.8482 122.7418 61.2604 35.4637 174.2779 106 R 5.0134 9.3619 123.0397 54.4081 33.4534 173.4690 107 L 4.8732 8.0838 123.3401 53.9419 43.8887 175.6669 108 V 4.7730 8.7843 118.1291 59.5693 36.5451 174.2262 109 A 4.8442 8.1872 122.7731 50.4355 22.8308 175.0153 110 F 5.2089 9.0973 120.1769 55.7225 42.1862 174.1335 111 D 5.2031 8.8636 123.5645 53.1389 42.1631 176.5492 112 N 4.8232 9.0506 122.2480 53.6205 38.5897 176.4517 113 Q 4.1349 8.5948 118.6358 59.2558 28.8762 177.8049 114 K 4.0431 8.2132 114.5092 57.0385 32.8781 176.8279 115 Q 3.4166 7.9699 117.8809 56.0502 26.9599 172.5961 116 V 4.5055 7.9531 117.8489 59.7277 35.0289 174.4789 117 Q 4.3223 8.7771 123.3468 56.7210 29.1855 175.6232 118 I 4.1629 8.3743 125.4936 61.5106 39.4859 174.5233 119 M 4.6046 6.9622 117.5480 54.6273 34.6333 173.7416 120 G 4.5355 8.1153 101.8282 46.4972 0.0000 172.8131 121 F 5.2381 7.3330 119.0387 54.9054 41.9474 173.4103 122 L 4.5085 8.8552 121.9463 55.5291 42.0690 176.7166 123 V 4.5417 9.0913 117.5815 61.5549 34.6943 175.9314 124 Q 4.3864 7.8434 120.9789 54.2801 32.3171 173.5153 125 R 4.4503 8.2673 126.5384 53.4944 31.9829 174.0840 126 P 4.2703 0.0000 0.0000 62.3082 32.1400 177.5757 127 K 3.9659 8.4077 119.7203 59.7196 32.1412 178.8400 128 T 3.9203 7.8045 107.0737 63.2509 68.9604 174.1799 129 A 4.1109 7.5444 126.5443 52.8741 18.3296 177.1786 130 R 4.6204 8.8465 118.3494 56.2255 30.4464 175.9475 131 D 4.8535 8.3667 117.6440 53.1134 39.8332 175.4406 132 F 5.2815 8.1866 114.0158 55.3474 40.5990 174.3350 133 Q 4.2615 8.2150 119.4183 52.7429 31.6658 174.2104 134 P 4.3690 0.0000 0.0000 62.5950 31.7946 176.9700 135 A 4.0200 8.7272 123.1627 55.2136 18.3066 178.6255 136 N 4.5509 8.0353 111.4550 54.3951 38.0759 175.8579 137 K 4.4212 7.5748 117.2026 56.2857 32.3559 177.7911 138 R 3.6500 7.6439 121.5478 57.5773 30.3256 176.6252 139 S 4.9625 7.5602 111.1760 56.2685 65.5886 174.2438 140 V 3.9618 8.2412 116.4493 61.4960 31.6209 175.4829 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 2 M 8.30 4.53 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.57 0.00 3 V 8.12 4.20 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 0.99 0.00 0.00 0.97 0.00 0.00 4 W 9.11 4.72 0.00 3.50 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 5 T 7.97 4.21 4.08 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 0.00 0.00 1.10 0.00 0.00 6 P 0.00 4.57 0.00 2.23 2.19 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 7 V 7.33 4.26 2.04 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 0.80 0.00 0.00 0.91 0.00 0.00 8 N 8.68 4.69 0.00 2.78 2.77 0.00 0.00 6.80 8.00 0.00 0.00 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 N 8.25 4.98 0.00 2.55 2.71 0.00 0.00 7.28 6.68 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 10 K 8.13 4.08 0.00 2.05 1.60 0.00 1.44 0.00 0.00 0.61 0.00 0.00 2.78 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.16 1.28 7.81 11 M 8.27 4.90 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.69 0.00 12 F 8.43 4.56 0.00 3.18 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 13 E 8.41 3.59 0.00 2.17 1.84 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 2.22 2.16 0.00 14 T 8.40 3.86 4.26 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 0.21 0.00 0.00 15 F 9.03 4.50 0.00 3.36 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 16 S 8.39 4.70 0.00 4.19 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 0.00 17 Y 8.11 4.37 0.00 3.04 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 18 L 7.55 4.58 0.00 1.81 1.64 0.90 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.56 0.00 2.16 2.06 0.00 3.52 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.11 0.00 20 P 0.00 4.30 0.00 2.07 2.06 0.00 3.70 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 2.09 2.19 0.00 21 L 8.26 4.08 0.00 1.55 1.46 0.27 0.60 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 22 T 8.20 4.16 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 1.17 0.00 0.00 23 D 8.68 4.36 0.00 2.71 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 24 E 8.00 4.19 0.00 1.98 1.90 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 2.29 2.30 0.00 25 Q 8.14 3.90 0.00 2.27 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.52 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 26 I 7.82 3.58 2.06 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 1.49 1.04 1.08 0.00 0.00 27 A 7.78 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.97 4.00 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 29 Q 8.07 4.05 0.00 2.46 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.71 0.00 0.00 0.00 0.00 0.00 2.38 1.96 0.00 30 V 8.06 3.72 2.28 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 1.17 0.00 0.00 1.13 0.00 0.00 31 D 8.27 4.37 0.00 3.02 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 32 Y 7.74 4.13 0.00 3.00 3.36 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 33 I 8.25 4.04 2.19 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.18 1.05 0.00 0.00 34 V 8.12 3.56 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 0.96 0.00 0.00 0.99 0.00 0.00 35 A 8.13 3.92 1.22 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 36 N 7.05 4.08 0.00 1.44 1.42 0.00 0.00 7.10 7.56 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 37 G 7.27 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 38 W 7.44 4.91 0.00 3.34 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 39 I 8.93 4.39 2.12 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.63 0.72 0.00 0.00 40 P 0.00 4.98 0.00 2.20 2.19 0.00 3.59 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 41 C 8.64 5.03 0.00 3.12 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 42 L 8.66 5.37 0.00 1.86 1.65 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.29 5.59 0.00 2.05 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 0.00 2.35 2.33 0.00 44 F 9.05 5.61 0.00 3.03 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 45 A 8.31 4.54 -0.13 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 0.00 0.00 46 E 8.59 4.41 0.00 2.17 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 0.00 2.32 2.25 0.00 47 A 8.65 4.08 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 48 D 7.77 4.53 0.00 2.64 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 49 K 8.17 4.41 0.00 1.57 1.77 0.00 1.79 0.00 0.00 2.36 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.28 7.81 50 A 8.03 4.02 0.52 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 51 Y 7.35 4.73 0.00 3.00 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 52 V 8.66 4.08 1.94 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 0.79 0.00 0.00 0.83 0.00 0.00 53 S 8.29 4.64 0.00 4.02 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 54 N 8.36 5.15 0.00 2.85 2.94 0.00 0.00 5.88 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 55 E 8.03 4.26 0.00 2.09 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 0.00 2.25 2.28 0.00 56 S 8.19 4.22 0.00 4.21 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 57 A 7.44 2.64 1.11 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 0.00 0.00 58 I 7.41 3.68 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.83 0.90 0.00 0.00 59 R 7.34 4.42 0.00 2.04 2.03 0.00 3.21 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 60 F 7.44 4.94 0.00 2.97 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 61 G 8.08 4.18 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 0.00 0.00 0.00 62 S 8.70 4.59 0.00 3.86 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 63 V 7.66 4.35 1.89 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 0.66 0.00 0.00 0.57 0.00 0.00 64 S 8.06 4.85 0.00 4.11 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 0.00 65 C 8.02 4.18 0.00 2.97 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 66 L 8.47 3.61 0.00 1.81 1.80 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 7.59 4.54 0.00 2.93 2.87 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 68 Y 7.56 4.76 0.00 2.77 2.76 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 69 D 8.77 4.36 0.00 2.72 2.61 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 70 N 8.84 4.74 0.00 3.11 3.24 0.00 0.00 6.92 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 71 R 8.04 3.88 0.00 1.45 1.57 0.00 2.97 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 72 Y 7.67 4.46 0.00 3.06 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 73 W 8.70 4.99 0.00 3.05 3.14 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 0.00 74 T 8.13 4.26 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 0.99 0.00 0.00 75 M 8.51 4.62 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.81 0.00 76 W 9.88 4.77 0.00 3.73 3.30 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 77 K 8.56 3.45 0.00 1.70 0.74 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.00 0.44 7.81 78 L 8.35 4.94 0.00 1.60 1.58 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.43 0.00 0.98 1.85 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.19 0.00 80 M 7.92 4.30 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 81 F 8.02 4.33 0.00 3.14 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 82 G 9.13 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 83 C 7.94 4.35 0.00 3.02 3.14 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 0.00 84 R 8.18 4.46 0.00 1.83 1.93 0.00 3.26 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 85 D 7.82 4.78 0.00 2.65 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 86 P 0.00 4.33 0.00 2.22 2.13 0.00 3.68 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 87 M 8.20 4.07 0.00 2.04 2.33 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.56 0.00 88 Q 8.02 4.06 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 89 V 7.73 3.61 2.27 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 1.06 0.00 0.00 0.97 0.00 0.00 90 L 7.67 4.04 0.00 1.92 1.72 0.97 0.88 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 91 R 7.97 3.96 0.00 2.10 2.01 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 92 E 8.23 4.17 0.00 2.26 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 2.59 2.64 0.00 93 I 7.88 3.56 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.79 0.87 0.00 0.00 94 V 7.88 3.49 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 1.09 0.00 0.00 0.93 0.00 0.00 95 A 8.25 3.94 1.55 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 96 C 7.45 2.45 0.00 1.23 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 0.00 0.00 0.00 0.00 97 T 7.59 3.72 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 1.15 0.00 0.00 98 K 7.75 3.86 0.00 1.85 1.95 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.43 7.81 99 A 7.52 4.02 1.15 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 0.00 0.00 100 F 8.00 4.63 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.42 0.00 2.12 2.11 0.00 3.26 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 102 D 8.08 4.64 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 0.00 103 A 7.14 4.82 1.27 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 0.00 104 Y 8.54 4.18 0.00 2.47 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 0.00 105 V 8.85 5.26 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 0.87 0.00 0.00 0.89 0.00 0.00 106 R 9.36 5.01 0.00 1.89 2.01 0.00 2.46 0.00 0.00 2.40 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 107 L 8.08 4.87 0.00 1.56 0.76 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.78 4.77 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 0.41 0.00 0.00 0.57 0.00 0.00 109 A 8.19 4.84 1.15 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 0.00 0.00 110 F 9.10 5.21 0.00 2.97 2.89 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 0.00 111 D 8.86 5.20 0.00 2.35 2.43 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 0.00 112 N 9.05 4.82 0.00 2.94 3.06 0.00 0.00 6.26 7.39 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 0.00 113 Q 8.59 4.13 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.01 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 114 K 8.21 4.04 0.00 1.86 1.86 0.00 1.93 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.46 7.81 115 Q 7.97 3.42 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 116 V 7.95 4.51 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 0.50 0.00 0.00 0.91 0.00 0.00 117 Q 8.78 4.32 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.90 0.00 0.00 0.00 0.00 0.00 2.18 2.07 0.00 118 I 8.37 4.16 1.25 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.20 -0.39 0.00 0.00 119 M 6.96 4.60 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 120 G 8.12 4.54 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 0.00 121 F 7.33 5.24 0.00 3.25 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 0.00 122 L 8.86 4.51 0.00 1.72 1.68 0.91 0.40 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 0.00 123 V 9.09 4.54 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 0.86 0.00 0.00 0.95 0.00 0.00 124 Q 7.84 4.39 0.00 1.98 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.19 0.00 125 R 8.27 4.45 0.00 1.50 1.41 0.00 2.21 0.00 0.00 2.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.26 0.00 126 P 0.00 4.27 0.00 2.06 2.00 0.00 2.23 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.32 0.00 127 K 8.41 3.97 0.00 1.72 1.89 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.35 7.81 128 T 7.80 3.92 4.26 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 1.21 0.00 0.00 129 A 7.54 4.11 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 0.00 130 R 8.85 4.62 0.00 1.93 2.05 0.00 3.06 0.00 0.00 3.32 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 131 D 8.37 4.85 0.00 2.97 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 0.00 132 F 8.19 5.28 0.00 3.27 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Q 8.22 4.26 0.00 1.84 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.03 0.00 134 P 0.00 4.37 0.00 2.15 2.14 0.00 3.41 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.82 0.00 135 A 8.73 4.02 1.34 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 0.00 0.00 136 N 8.04 4.55 0.00 2.82 2.94 0.00 0.00 5.97 7.13 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 0.00 137 K 7.57 4.42 0.00 1.68 1.71 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.31 7.81 138 R 7.64 3.65 0.00 1.37 0.66 0.00 3.12 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.47 0.00 139 S 7.56 4.96 0.00 3.99 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 0.00 140 V 8.24 3.96 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 0.62 0.00 0.00 0.90 0.00 0.00