NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.4114 8.2548 109.1220 45.3634 0.0000 174.9124 17 I 3.8714 7.3802 119.5811 62.8786 37.7767 175.1835 18 T 3.9554 7.9365 116.9332 62.8242 69.9558 174.3924 19 G 3.5123 7.3280 113.7623 45.3926 0.0000 170.5746 20 T 4.6634 7.3871 117.0491 61.6280 70.3240 174.4757 21 W 4.9134 8.0245 124.4349 54.9604 33.8400 173.8553 22 Y 5.5082 9.1272 119.1831 56.4658 41.7059 174.6956 23 N 5.4606 8.9925 120.4884 50.0744 40.1781 175.7543 24 Q 4.0924 8.6403 116.2812 58.8475 28.8465 177.4833 25 L 4.0857 7.9946 117.3471 55.9659 41.9662 177.6459 26 G 4.1017 8.1544 106.5892 45.0171 0.0000 173.6208 27 S 4.9304 8.6094 115.9688 58.0266 65.0399 173.3356 28 T 4.9549 8.4385 117.6327 61.9130 72.6499 173.1827 29 F 5.1279 8.4112 118.7126 55.3507 41.9166 173.0994 30 I 4.8492 8.3422 122.2934 59.4824 39.6883 174.9914 31 V 4.8713 8.5365 125.9857 60.1340 35.2438 174.5314 32 T 4.7914 8.9735 119.9196 61.7737 71.0456 173.0256 33 A 4.7566 8.4917 129.8161 50.4872 19.7048 177.3195 34 G 3.8588 9.1843 111.9958 45.2601 0.0000 173.8072 35 A 4.3386 8.5113 121.7405 53.1658 18.6362 177.9272 36 D 4.6484 8.2008 114.3197 52.8113 40.0074 177.2729 37 G 3.3588 8.3539 107.9463 45.1256 0.0000 173.0472 38 A 5.1438 7.9200 121.0422 50.6154 21.6594 176.3487 39 L 5.2099 8.7495 119.8982 53.1347 44.7276 176.0003 40 T 4.8462 9.3009 113.6275 59.3740 72.4527 174.5518 41 G 4.4160 7.0283 107.4022 46.4176 0.0000 171.2455 42 T 5.2343 7.6508 115.8983 62.0537 73.3105 172.5033 43 Y 5.0494 9.4840 125.7622 55.7332 42.7648 174.2669 44 E 5.3134 8.6968 123.0907 54.7693 32.3159 175.1970 45 S 5.2929 9.7426 119.1760 57.4816 63.5120 173.2968 46 A 4.7653 8.7992 122.0353 51.2840 20.2808 176.3682 47 V 4.2593 7.9932 108.6629 60.3712 34.6544 173.6342 48 G 3.5377 8.6521 110.7323 44.1707 0.0000 173.0198 49 N 4.5551 8.1950 115.0053 50.9775 37.2268 174.6526 50 A 4.7326 7.3443 119.0068 51.9126 22.4209 176.0634 51 E 4.6192 9.1708 118.9652 56.3641 32.1190 175.1178 52 S 4.4265 9.1252 117.2306 56.9401 61.8018 168.4728 53 R 4.8963 8.1473 118.5105 56.6411 30.9500 175.9537 54 Y 4.8227 9.0730 118.9190 56.0765 42.5984 174.9151 55 V 4.2412 8.5217 122.2459 62.7391 32.1197 175.0815 56 L 5.1780 8.6086 126.7616 54.5258 43.9585 175.1101 57 T 4.8211 8.5152 113.7601 61.5730 71.4419 173.1438 58 G 4.5153 8.6995 112.9578 46.3851 0.0000 171.8190 59 R 5.6015 8.5947 116.9083 55.3176 35.0055 173.9772 60 Y 5.2744 8.4989 118.3588 55.6243 41.6677 174.2416 61 D 4.3055 8.9575 120.8369 54.2766 40.8099 176.1356 62 S 4.3840 8.2589 120.6375 58.5853 64.0856 174.5139 63 A 4.6357 7.8341 123.3540 50.1764 18.6032 173.3677 64 P 4.6052 0.0000 0.0000 61.5051 32.8849 176.6997 65 A 4.5482 8.2028 122.1355 51.6957 20.1231 176.8477 66 T 4.6731 8.1459 107.0211 61.7053 69.1597 174.7378 67 D 4.6213 8.3299 119.3268 54.3949 39.5003 176.8037 68 G 3.9393 7.8032 106.0546 45.8032 0.0000 174.3902 69 S 4.3475 7.7244 115.0841 58.0277 63.4439 174.1140 70 G 4.0605 8.2933 110.0440 45.9612 0.0000 172.6717 71 T 4.8043 8.5680 116.3016 61.7969 70.1578 174.8359 72 A 4.9377 8.7117 129.1294 51.9771 20.1856 175.8746 73 L 5.0915 8.5944 120.5827 55.5125 44.7393 174.0273 74 G 4.6107 9.0050 104.9744 45.7125 0.0000 172.1078 75 W 5.7027 8.4101 116.5390 55.8220 32.0459 173.4151 76 T 5.2446 9.0327 116.6949 61.8635 72.2615 173.2912 77 V 4.4576 8.9815 124.4576 60.9459 34.7802 173.7958 78 A 4.6202 8.2843 129.1163 49.3757 20.6486 177.5617 79 W 4.3170 8.1681 125.5159 55.9053 27.6595 176.4850 80 K 5.3756 8.0043 119.5163 54.8469 35.6743 174.8834 81 N 4.6319 8.4438 122.3328 52.5200 38.9519 174.3013 82 N 4.4459 8.1739 116.6100 54.3774 38.9308 174.7441 83 Y 4.8490 8.9465 117.5378 58.8249 40.4713 175.9047 84 R 4.8041 7.9187 113.4835 54.5064 32.7632 173.0096 85 N 5.3248 8.6113 115.9165 52.0616 41.3944 173.7423 86 A 4.5004 8.8842 127.0845 51.4385 20.3438 175.7223 87 H 4.2025 8.9957 113.5640 55.9645 27.0818 173.7261 88 S 5.2323 7.6513 110.7468 57.8750 66.7920 173.4440 89 A 5.1386 9.1763 121.0284 51.0624 22.9594 175.3362 90 T 4.9076 8.8278 116.5576 61.7329 72.5353 173.2086 91 T 4.9876 8.0139 115.2144 59.5733 71.9372 172.8696 92 W 4.9371 8.6577 124.1447 54.7962 32.3811 174.5103 93 S 4.8843 8.5206 118.3384 56.3531 65.0135 171.8615 94 G 4.4503 8.8861 115.5240 46.3868 0.0000 172.3710 95 Q 5.0764 8.9104 121.0698 55.2291 32.6854 173.3540 96 Y 4.9712 9.1673 123.1528 56.7334 41.0246 174.3014 97 V 4.1958 7.9404 125.7127 60.8268 34.3316 175.9272 98 G 4.0007 8.1261 116.3004 45.1629 0.0000 170.5336 99 G 3.8326 8.8661 105.0152 43.9092 0.0000 173.9432 100 A 4.1054 8.5201 121.1834 54.1025 18.7180 177.8164 101 E 4.5069 7.7213 116.4849 54.2903 28.7871 174.8933 102 A 4.6144 7.8592 123.4268 51.9795 20.1364 176.7263 103 R 5.0128 8.1786 114.1890 56.0546 33.7944 173.5651 104 I 5.0517 8.8295 119.9883 59.7602 40.5591 174.4947 105 N 5.4240 9.0067 125.7530 52.1354 40.5183 174.6370 106 T 5.3280 8.9418 112.7597 60.2892 73.3751 172.5159 107 Q 5.2546 8.9184 119.9855 54.0446 32.8779 174.7611 108 F 5.1712 8.5528 116.0492 54.9447 42.0246 173.7198 109 L 4.9931 8.2920 118.7123 52.9693 44.7304 175.3518 110 L 4.9236 8.8418 127.0595 53.6782 44.0838 175.0037 111 T 5.0533 8.8043 123.5082 61.9621 71.2076 173.8916 112 S 5.1358 8.5600 121.8773 56.4642 65.7752 174.1076 113 G 3.9251 8.6737 110.3819 46.4151 0.0000 173.3517 114 T 4.7486 8.2201 114.1895 59.9481 72.5119 173.1365 115 T 4.3717 7.9548 111.8709 60.4595 70.6466 175.2094 116 E 4.0788 8.6172 119.6977 59.3386 29.6068 178.6025 117 A 4.2355 8.0333 120.7733 54.4174 19.0403 177.5817 118 N 4.6840 7.7790 110.8395 53.0651 38.8031 177.0162 119 A 4.0213 7.9963 124.2353 54.6092 18.5972 179.7032 120 W 4.4695 8.1340 111.5725 58.0087 28.6551 176.0853 121 K 4.3222 6.8529 118.6517 56.3534 32.1301 176.8144 122 S 4.5113 7.8796 113.9351 59.9815 65.3418 174.0379 123 T 5.1401 7.6766 116.6438 61.7458 71.3538 173.3020 124 L 4.7948 8.8143 126.6720 53.1499 44.2026 175.9442 125 V 4.6743 7.3297 120.5499 59.2850 34.5472 174.8371 126 G 3.6047 6.6206 107.8592 45.9161 0.0000 171.0388 127 H 5.5966 8.2747 113.7474 54.1599 32.0654 172.7067 128 D 4.9575 9.1513 118.4512 53.1222 45.0108 174.3610 129 T 5.1771 8.4290 118.0565 61.8573 71.3522 173.1290 130 F 5.5337 9.3571 125.1954 56.0353 42.1972 174.7666 131 T 5.4678 9.2362 112.0235 60.2060 72.2177 174.5702 132 K 3.8173 8.9532 119.4646 55.9090 32.8172 177.4024 133 V 3.6158 7.9019 122.9113 63.2811 32.4337 172.3027 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 16 G 8.25 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 0.00 0.00 0.00 0.00 17 I 7.38 3.87 1.43 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 -0.29 0.60 0.00 0.00 18 T 7.94 3.96 4.16 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 1.14 0.00 0.00 19 G 7.33 3.51 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 0.00 0.00 0.00 20 T 7.39 4.66 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 0.62 0.00 0.00 21 W 8.02 4.91 0.00 1.86 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 22 Y 9.13 5.51 0.00 2.94 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 23 N 8.99 5.46 0.00 2.55 2.30 0.00 0.00 6.62 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 24 Q 8.64 4.09 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.14 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 25 L 7.99 4.09 0.00 1.98 1.83 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.15 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 0.00 0.00 0.00 27 S 8.61 4.93 0.00 4.05 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 0.00 28 T 8.44 4.95 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 1.01 0.00 0.00 29 F 8.41 5.13 0.00 2.86 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 30 I 8.34 4.85 1.80 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 1.12 0.61 0.80 0.00 0.00 31 V 8.54 4.87 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 0.81 0.00 0.00 0.77 0.00 0.00 32 T 8.97 4.79 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 33 A 8.49 4.76 0.74 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 0.00 0.00 34 G 9.18 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 0.00 0.00 0.00 35 A 8.51 4.34 1.31 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 36 D 8.20 4.65 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 37 G 8.35 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 0.00 0.00 0.00 38 A 7.92 5.14 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 39 L 8.75 5.21 0.00 1.70 1.52 0.76 0.69 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 40 T 9.30 4.85 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 1.21 0.00 0.00 41 G 7.03 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.65 5.23 4.24 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 1.26 0.00 0.00 43 Y 9.48 5.05 0.00 2.86 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 44 E 8.70 5.31 0.00 2.18 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 0.00 2.21 2.30 0.00 45 S 9.74 5.29 0.00 4.35 3.95 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 46 A 8.80 4.77 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 47 V 7.99 4.26 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 0.79 0.00 0.00 0.91 0.00 0.00 48 G 8.65 3.54 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 49 N 8.20 4.56 0.00 2.57 2.62 0.00 0.00 6.62 7.96 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 50 A 7.34 4.73 1.19 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 0.00 0.00 51 E 9.17 4.62 0.00 2.08 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 2.29 2.33 0.00 52 S 9.13 4.43 0.00 4.03 4.38 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 53 R 8.15 4.90 0.00 1.72 1.89 0.00 3.18 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 54 Y 9.07 4.82 0.00 2.77 2.63 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 0.00 0.00 0.00 0.00 55 V 8.52 4.24 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 0.78 0.00 0.00 0.92 0.00 0.00 56 L 8.61 5.18 0.00 1.91 1.69 0.58 0.16 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 57 T 8.52 4.82 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 1.24 0.00 0.00 58 G 8.70 4.52 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 0.00 59 R 8.59 5.60 0.00 1.75 1.88 0.00 3.32 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 60 Y 8.50 5.27 0.00 2.98 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 61 D 8.96 4.31 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 62 S 8.26 4.38 0.00 3.87 3.40 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 63 A 7.83 4.64 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 64 P 0.00 4.61 0.00 2.27 2.18 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 65 A 8.20 4.55 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 66 T 8.15 4.67 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 1.24 0.00 0.00 67 D 8.33 4.62 0.00 2.80 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 68 G 7.80 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 0.00 0.00 0.00 69 S 7.72 4.35 0.00 3.89 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 70 G 8.29 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 0.00 0.00 0.00 71 T 8.57 4.80 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 1.44 0.00 0.00 72 A 8.71 4.94 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 73 L 8.59 5.09 0.00 2.03 1.94 0.93 0.71 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 74 G 9.01 4.61 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 75 W 8.41 5.70 0.00 3.45 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 76 T 9.03 5.24 4.28 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 1.23 0.00 0.00 77 V 8.98 4.46 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 -0.12 0.00 0.00 0.80 0.00 0.00 78 A 8.28 4.62 1.18 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 79 W 8.17 4.32 0.00 3.33 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 80 K 8.00 5.38 0.00 1.75 1.70 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.45 7.81 81 N 8.44 4.63 0.00 2.50 2.30 0.00 0.00 7.02 7.82 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 82 N 8.17 4.45 0.00 1.73 2.45 0.00 0.00 6.56 7.46 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 83 Y 8.95 4.85 0.00 2.98 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 84 R 7.92 4.80 0.00 2.07 2.07 0.00 3.26 0.00 0.00 3.58 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.80 0.00 85 N 8.61 5.32 0.00 2.65 2.60 0.00 0.00 6.83 7.96 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 86 A 8.88 4.50 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 87 H 9.00 4.20 0.00 3.30 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.65 5.23 0.00 3.98 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 89 A 9.18 5.14 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 90 T 8.83 4.91 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 -0.54 0.00 0.00 91 T 8.01 4.99 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 1.14 0.00 0.00 92 W 8.66 4.94 0.00 1.78 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 0.00 0.00 0.00 93 S 8.52 4.88 0.00 3.84 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 94 G 8.89 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 95 Q 8.91 5.08 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 96 Y 9.17 4.97 0.00 3.03 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 97 V 7.94 4.20 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 0.84 0.00 0.00 0.91 0.00 0.00 98 G 8.13 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.87 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 0.00 0.00 0.00 100 A 8.52 4.11 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 0.00 101 E 7.72 4.51 0.00 1.93 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 0.00 2.21 2.24 0.00 102 A 7.86 4.61 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 0.00 103 R 8.18 5.01 0.00 2.21 2.16 0.00 2.90 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.78 0.00 104 I 8.83 5.05 1.84 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.09 1.07 0.00 0.00 105 N 9.01 5.42 0.00 2.74 2.82 0.00 0.00 6.06 7.10 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 0.00 106 T 8.94 5.33 4.44 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 1.50 0.00 0.00 107 Q 8.92 5.25 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 108 F 8.55 5.17 0.00 2.43 2.38 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 0.00 109 L 8.29 4.99 0.00 1.51 1.50 0.85 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.84 4.92 0.00 1.69 1.58 0.91 0.34 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 0.00 111 T 8.80 5.05 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 1.18 0.00 0.00 112 S 8.56 5.14 0.00 3.69 3.73 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 0.00 113 G 8.67 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 0.00 0.00 0.00 114 T 8.22 4.75 4.16 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 1.18 0.00 0.00 115 T 7.95 4.37 4.24 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 1.20 0.00 0.00 116 E 8.62 4.08 0.00 2.00 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 2.32 2.31 0.00 117 A 8.03 4.24 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 0.00 118 N 7.78 4.68 0.00 2.69 2.55 0.00 0.00 6.78 7.98 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 0.00 119 A 8.00 4.02 1.33 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 0.00 120 W 8.13 4.47 0.00 3.57 3.23 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 0.00 121 K 6.85 4.32 0.00 1.14 0.74 0.00 1.18 0.00 0.00 1.15 0.00 0.00 2.89 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 0.70 7.81 122 S 7.88 4.51 0.00 3.99 4.03 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 0.00 123 T 7.68 5.14 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 1.20 0.00 0.00 124 L 8.81 4.79 0.00 1.60 1.56 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.33 4.67 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 0.96 0.00 0.00 0.76 0.00 0.00 126 G 6.62 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 0.00 0.00 0.00 127 H 8.27 5.60 0.00 3.21 3.22 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.15 4.96 0.00 3.03 2.63 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 0.00 0.00 0.00 0.00 129 T 8.43 5.18 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 1.37 0.00 0.00 130 F 9.36 5.53 0.00 2.97 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 0.00 131 T 9.24 5.47 4.40 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 1.37 0.00 0.00 132 K 8.95 3.82 0.00 1.55 1.60 0.00 1.57 0.00 0.00 1.25 0.00 0.00 2.16 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.30 0.21 7.81 133 V 7.90 3.62 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 0.41 0.00 0.00 1.01 0.00 0.00