NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1562 8.0549 114.0581 61.0979 32.8958 175.1080 2 L 4.0305 8.2794 125.0158 52.3214 42.5482 175.7738 3 S 4.5888 8.8507 117.5190 57.3432 66.5167 174.7560 4 E 4.2288 8.8180 122.3522 59.6483 29.3456 179.0258 5 G 3.6401 8.1133 105.1194 47.9268 0.0000 175.3815 6 E 3.9678 7.9591 120.4432 58.8695 29.3438 179.4402 7 W 4.2864 8.2501 119.1786 59.7684 29.0956 178.3034 8 Q 4.0817 8.5688 119.7658 59.1596 28.4498 178.4135 9 L 4.0615 7.9864 119.9545 57.7212 41.7051 179.5869 10 V 3.7555 7.8699 118.1708 66.2734 31.4667 178.1535 11 L 4.2968 8.5491 118.9033 57.6869 41.2265 178.9325 12 H 4.1792 8.3507 118.1621 59.2892 30.1711 177.4476 13 V 3.7231 7.8725 120.6306 64.4152 31.3194 178.1261 14 W 3.7397 8.4484 128.8700 60.0758 30.2736 177.6906 15 A 4.0377 8.1945 120.3173 55.0721 18.0023 179.5295 16 K 3.9368 7.7232 117.0252 59.5079 32.2478 179.6798 17 V 2.8294 7.0688 117.9304 65.6621 30.9890 177.2983 18 E 4.0024 7.5015 116.1396 57.9020 29.3748 178.3622 19 A 4.2000 7.6588 120.6535 53.8182 20.0445 177.6669 20 D 4.6702 7.6643 115.9130 52.2281 42.8542 175.5594 21 V 3.4595 7.8479 123.2146 65.7723 32.1039 176.7857 22 A 4.1192 7.9918 120.1638 54.9886 18.2830 179.7013 23 G 3.7484 8.2261 105.5904 47.7860 0.0000 175.7138 24 H 4.1594 8.2931 119.1019 58.3775 28.7051 178.1706 25 G 3.5486 8.5202 107.9672 47.7652 0.0000 175.5086 26 Q 3.8706 8.1076 122.0593 58.9740 29.0871 178.0908 27 D 4.2893 7.9422 119.8437 57.2942 40.7469 178.8691 28 I 3.6187 7.7929 120.2316 64.4768 37.0907 178.5475 29 L 3.4341 7.7321 119.6745 57.5702 41.2194 179.7336 30 I 3.6086 7.5754 119.7764 64.1763 36.9239 178.4063 31 R 3.7880 7.8616 119.5690 59.2426 29.8482 178.2302 32 L 3.9280 7.8899 120.2339 58.4060 42.0714 179.0963 33 F 4.6136 8.0680 117.8088 60.4208 38.5519 177.9053 34 K 4.1518 8.2249 117.9233 59.4268 32.0609 179.3121 35 S 4.3169 8.1733 114.7740 60.2141 63.9334 174.2973 36 H 4.6630 8.2232 118.5688 51.9280 29.4420 171.7890 37 P 4.4776 0.0000 0.0000 64.4970 31.0163 177.5070 38 E 4.1330 8.2475 116.2366 59.3430 29.3099 179.0703 39 T 3.8999 8.3015 111.2580 64.3598 68.7569 176.3259 40 L 3.6376 7.8753 123.1614 57.9211 41.8216 178.5494 41 E 4.0975 7.8136 116.9294 58.5780 29.4292 178.7429 42 K 4.4031 7.9093 117.5524 56.9644 32.7359 177.3147 43 F 4.6408 8.1275 119.0088 55.6160 39.4699 175.5532 44 D 4.4399 8.5846 125.3445 57.3657 40.5266 178.7864 45 R 3.8443 7.7870 114.4254 57.8800 29.9714 176.9051 46 F 5.0588 7.8192 116.8136 57.0114 40.5570 177.2090 47 K 3.8670 7.6289 120.2729 59.6689 31.9025 177.5701 48 H 4.4289 8.1485 111.7853 56.6133 28.9962 175.0919 49 L 4.1867 7.6755 121.8579 54.3709 41.6818 176.4810 50 K 4.3903 9.4155 124.1003 56.7377 34.0406 177.1509 51 T 4.7074 7.5160 107.8012 59.1501 72.8694 174.3664 52 E 3.8992 8.6469 121.7843 59.3839 29.7567 178.8319 53 A 3.9816 7.9630 120.2999 55.3032 18.2565 179.2505 54 E 3.9385 7.9767 115.7928 59.7251 29.6759 179.2394 55 M 4.1472 8.0954 118.5948 58.5097 31.8907 179.1048 56 K 3.9796 8.2823 117.0471 58.7637 32.2549 178.3803 57 A 4.4612 7.4755 118.4247 51.4609 19.1958 177.0005 58 S 4.2871 7.4367 113.9865 57.5058 62.9426 174.5261 59 E 4.0155 8.8496 128.9563 59.1747 29.5510 177.9998 60 D 4.4252 8.1209 117.9594 56.9957 41.4119 177.7314 61 L 3.5112 8.0780 120.9657 57.9558 42.1449 178.6961 62 K 3.8167 7.7282 119.5362 59.6059 32.1750 178.5284 63 K 4.0026 8.3167 119.7740 59.7704 32.0539 178.3245 64 H 4.4734 8.5400 118.7217 59.0661 29.7987 177.4940 65 G 3.5445 8.2433 107.8013 47.7117 0.0000 175.8937 66 V 3.6475 7.8109 120.4169 65.9122 31.6361 178.3036 67 T 3.8753 7.7246 115.1721 66.6086 68.3103 176.7758 68 V 3.6278 7.8645 120.0905 66.1701 31.5385 178.1539 69 L 4.2290 8.1421 118.6897 57.9755 41.4053 179.6938 70 T 3.9706 8.3174 115.8986 66.4928 68.5151 176.6470 71 A 3.9895 7.9584 122.3496 55.0280 18.3755 179.3961 72 L 3.7566 8.1519 119.1086 58.2263 42.1421 179.4131 73 G 3.1947 8.4138 105.7053 47.6008 0.0000 175.4816 74 A 4.0071 7.7728 122.1985 54.8652 18.6195 179.6323 75 I 3.7875 7.3997 117.9069 64.5218 37.1676 178.5726 76 L 3.9373 7.8339 120.1595 57.7108 41.2201 179.5725 77 K 3.9219 7.6451 116.4676 58.2469 32.2366 178.5600 78 K 3.9576 7.8112 118.4064 55.7064 32.9415 176.3179 79 K 2.0000 8.2874 118.5759 56.3642 29.6969 175.2052 80 G 4.0646 7.8475 105.8494 45.7911 0.0000 173.4772 81 H 4.7173 7.5358 118.9447 55.3138 27.5542 174.8822 82 H 5.3495 7.4610 109.9475 54.2823 29.9216 177.2417 83 E 3.9664 8.5535 120.7647 60.7392 29.1821 177.9046 84 A 4.0231 7.9730 120.1974 54.4508 17.6032 178.6380 85 E 4.2305 8.0760 116.2665 58.4634 29.9541 178.5737 86 L 4.1873 8.1476 120.7920 57.7095 42.1309 178.5482 87 K 3.8499 8.1111 119.6390 59.3320 32.1323 176.8299 88 P 4.2301 0.0000 0.0000 65.4742 31.1867 178.3947 89 L 4.0535 7.5451 119.2079 58.0874 41.9691 178.8734 90 A 4.1436 8.2401 120.8827 55.2051 18.3277 179.6159 91 Q 3.7948 8.3197 116.9803 59.1825 28.8615 179.3220 92 S 4.0138 8.1316 115.2112 61.7206 63.1194 176.2041 93 H 4.3409 8.6171 119.7158 58.1318 28.5113 177.7620 94 A 2.9339 7.9411 123.2646 54.8245 17.9428 179.4642 95 T 3.8200 7.0946 105.9965 62.8019 69.4505 175.5240 96 K 4.1390 7.4079 120.8062 58.4731 33.1364 177.1586 97 H 4.2226 8.2370 115.4779 56.5201 29.3906 175.6547 98 K 3.8208 7.5665 116.4980 56.4318 28.7063 175.9124 99 I 4.2104 8.2401 119.1069 58.6775 38.6593 175.0893 100 P 4.5296 0.0000 0.0000 62.1807 32.1828 177.3677 101 I 3.3957 8.3228 120.6642 64.5322 36.8064 178.5072 102 K 3.7219 7.8510 119.8450 59.5768 31.9148 178.2372 103 Y 4.0408 7.9565 116.9773 60.6265 37.8235 178.1029 104 L 4.1454 7.9126 120.4091 57.4802 41.6681 179.0091 105 E 3.9662 7.8924 118.9539 59.2491 29.6816 178.6177 106 F 4.4820 7.9559 117.9475 60.8855 38.9547 177.5937 107 I 3.8468 8.2247 118.1549 63.9991 37.7507 178.0397 108 S 4.2082 8.1623 116.1146 61.6884 62.6352 176.5075 109 E 4.0691 8.4059 121.0283 59.3266 29.2152 179.2827 110 A 4.0299 8.1581 120.8834 55.1379 18.3850 179.7660 111 I 3.6717 8.2206 118.7127 64.6677 37.3084 178.6675 112 I 3.8256 7.9119 120.6022 64.6284 36.9464 178.0024 113 H 4.0933 8.4842 119.0440 59.3771 29.8023 177.5471 114 V 3.5552 7.9276 120.0251 65.9549 31.3787 177.9114 115 L 3.7884 8.1538 119.1787 57.8079 40.9945 179.0611 116 H 4.3351 7.7344 117.4293 59.3459 29.9294 177.2156 117 S 4.1488 7.8242 116.0086 61.2257 62.7282 176.1740 118 R 4.1621 7.7064 118.6730 56.9546 31.4290 176.4990 119 H 4.9402 7.9678 116.2374 53.2328 30.1261 172.3997 120 P 4.2461 0.0000 0.0000 66.0552 31.5383 179.2227 121 G 3.6409 8.2888 106.4132 48.0090 0.0000 173.6573 122 D 4.8024 7.8910 116.5898 53.9167 41.8222 176.2775 123 F 4.9707 7.9058 120.6877 56.8289 39.4567 174.3863 124 G 3.9248 7.5005 109.1077 43.7802 0.0000 171.8393 125 A 3.8791 8.4258 120.8207 55.1858 18.2412 179.6699 126 D 4.1782 7.9249 116.8394 56.6598 39.5009 178.5620 127 A 3.9157 7.7213 121.9969 54.5472 18.4029 179.2202 128 Q 3.2775 7.8271 118.6360 58.9209 29.0482 178.7244 129 G 3.4979 8.2848 106.9595 47.8131 0.0000 175.6100 130 A 3.9101 8.0315 123.4893 54.8569 18.2716 179.4518 131 M 4.0339 8.3785 117.2225 58.7079 32.3600 177.9996 132 N 4.3446 8.3605 117.3843 56.6092 39.1161 177.0817 133 K 4.1195 8.0888 119.8026 59.2723 32.0703 179.2230 134 A 3.8687 7.9323 121.1701 55.1696 18.3212 179.7570 135 L 4.0649 8.1947 117.5918 57.7840 41.5733 179.6605 136 E 4.0155 8.4034 118.8216 59.2337 29.4290 178.9578 137 L 3.9935 8.1205 120.4603 58.0591 42.1447 178.6426 138 F 4.1833 8.3118 120.5342 61.6543 39.2563 177.3914 139 R 3.5924 8.2134 117.4953 58.8455 29.8369 178.9889 140 K 3.8606 8.3924 119.8768 59.7264 31.9045 178.7017 141 D 4.3832 8.1893 119.1126 57.3392 40.6589 178.8708 142 I 3.6248 7.5844 120.2920 64.0150 37.0121 178.2767 143 A 3.7947 8.1475 121.9263 54.9706 18.2623 179.5417 144 A 3.9855 7.9531 119.2752 55.1926 18.4077 180.1003 145 K 3.9963 7.8717 116.7328 59.7924 32.1229 179.0564 146 Y 4.0621 8.6580 117.5398 61.1012 37.7857 178.8763 147 K 3.9918 8.3692 120.4421 59.3189 32.0964 178.3551 148 E 3.9301 7.9040 118.4045 59.4394 29.7240 178.4694 149 L 4.3470 7.8225 115.9682 55.5343 41.8269 177.8797 150 G 3.8109 8.0107 107.2625 45.8322 0.0000 173.6383 151 Y 4.2162 8.3816 114.7809 56.7788 38.5417 174.4934 152 Q 3.9598 8.1525 122.3387 59.8016 28.6344 177.0850 153 G 3.6782 9.0357 112.8647 45.2329 0.0000 172.0688 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 1 V 8.05 4.16 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 0.92 0.00 0.00 0.97 0.00 0.00 2 L 8.28 4.03 0.00 0.75 0.81 0.49 -0.77 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 3 S 8.85 4.59 0.00 4.05 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 4 E 8.82 4.23 0.00 2.18 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 0.00 2.43 2.52 0.00 5 G 8.11 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.96 3.97 0.00 1.92 1.75 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 2.23 2.26 0.00 7 W 8.25 4.29 0.00 3.54 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 8 Q 8.57 4.08 0.00 2.30 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 9 L 7.99 4.06 0.00 1.96 1.74 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.87 3.76 2.49 0.00 0.00 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 0.89 0.00 0.00 11 L 8.55 4.30 0.00 1.85 1.81 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.35 4.18 0.00 3.28 3.59 0.00 5.95 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.87 3.72 2.26 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 0.99 0.00 0.00 0.75 0.00 0.00 14 W 8.45 3.74 0.00 3.69 3.20 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 0.00 15 A 8.19 4.04 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 16 K 7.72 3.94 0.00 1.55 1.64 0.00 1.62 0.00 0.00 1.45 0.00 0.00 2.78 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.52 1.42 7.81 17 V 7.07 2.83 0.76 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 0.04 0.00 0.00 0.15 0.00 0.00 18 E 7.50 4.00 0.00 2.07 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 0.00 2.21 2.30 0.00 19 A 7.66 4.20 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 20 D 7.66 4.67 0.00 2.72 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 21 V 7.85 3.46 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 0.93 0.00 0.00 0.86 0.00 0.00 22 A 7.99 4.12 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 23 G 8.23 3.75 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 0.00 0.00 0.00 24 H 8.29 4.16 0.00 3.21 3.21 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.52 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 26 Q 8.11 3.87 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 27 D 7.94 4.29 0.00 2.83 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 28 I 7.79 3.62 1.93 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 1.50 0.69 0.88 0.00 0.00 29 L 7.73 3.43 0.00 1.35 0.93 0.77 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.58 3.61 1.84 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 1.36 0.72 0.87 0.00 0.00 31 R 7.86 3.79 0.00 1.88 2.11 0.00 3.07 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 32 L 7.89 3.93 0.00 1.75 1.44 1.05 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.07 4.61 0.00 3.04 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 34 K 8.22 4.15 0.00 1.72 1.84 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.68 1.61 7.81 35 S 8.17 4.32 0.00 3.70 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 36 H 8.22 4.66 0.00 2.98 3.18 0.00 5.63 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 37 P 0.00 4.48 0.00 2.15 2.11 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 38 E 8.25 4.13 0.00 2.28 2.29 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 2.31 2.52 0.00 39 T 8.30 3.90 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 40 L 7.88 3.64 0.00 1.50 1.75 0.10 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.81 4.10 0.00 2.23 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 0.00 2.38 2.54 0.00 42 K 7.91 4.40 0.00 1.76 1.61 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.71 1.88 7.81 43 F 8.13 4.64 0.00 3.19 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 44 D 8.58 4.44 0.00 2.65 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 45 R 7.79 3.84 0.00 1.67 1.85 0.00 2.77 0.00 0.00 2.96 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 46 F 7.82 5.06 0.00 2.92 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 47 K 7.63 3.87 0.00 2.02 1.93 0.00 1.72 0.00 0.00 2.11 0.00 0.00 3.06 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.62 1.59 7.81 48 H 8.15 4.43 0.00 3.29 3.44 0.00 5.52 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.68 4.19 0.00 1.62 1.57 0.85 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.42 4.39 0.00 1.80 1.83 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.49 7.81 51 T 7.52 4.71 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 1.21 0.00 0.00 52 E 8.65 3.90 0.00 2.04 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 2.35 2.36 0.00 53 A 7.96 3.98 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 54 E 7.98 3.94 0.00 2.12 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 0.00 2.35 2.35 0.00 55 M 8.10 4.15 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.55 0.00 56 K 8.28 3.98 0.00 1.80 1.85 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.42 7.81 57 A 7.48 4.46 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 58 S 7.44 4.29 0.00 3.84 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 59 E 8.85 4.02 0.00 2.14 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 2.40 2.45 0.00 60 D 8.12 4.43 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 61 L 8.08 3.51 0.00 1.44 1.62 -0.06 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.73 3.82 0.00 1.78 2.00 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.44 7.81 63 K 8.32 4.00 0.00 1.92 2.04 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.50 7.81 64 H 8.54 4.47 0.00 3.67 3.64 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.24 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 66 V 7.81 3.65 2.25 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 1.12 0.00 0.00 0.99 0.00 0.00 67 T 7.72 3.88 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 1.30 0.00 0.00 68 V 7.86 3.63 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 1.09 0.00 0.00 0.96 0.00 0.00 69 L 8.14 4.23 0.00 1.88 1.86 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.32 3.97 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 1.26 0.00 0.00 71 A 7.96 3.99 1.45 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 72 L 8.15 3.76 0.00 1.71 1.74 0.19 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.41 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 0.00 0.00 0.00 74 A 7.77 4.01 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 75 I 7.40 3.79 1.91 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 1.54 0.62 0.92 0.00 0.00 76 L 7.83 3.94 0.00 1.16 1.54 -0.19 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.65 3.92 0.00 1.65 1.79 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.47 7.81 78 K 7.81 3.96 0.00 1.91 1.79 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.58 1.85 7.81 79 K 8.29 2.00 0.00 1.07 0.74 0.00 1.47 0.00 0.00 1.36 0.00 0.00 2.62 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.30 0.67 7.81 80 G 7.85 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 81 H 7.54 4.72 0.00 3.13 3.22 0.00 5.81 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 82 H 7.46 5.35 0.00 3.28 3.45 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.55 3.97 0.00 2.19 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 0.00 2.36 2.32 0.00 84 A 7.97 4.02 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 85 E 8.08 4.23 0.00 2.09 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 0.00 2.36 2.42 0.00 86 L 8.15 4.19 0.00 1.86 1.66 0.73 0.39 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 87 K 8.11 3.85 0.00 1.88 1.81 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.51 7.81 88 P 0.00 4.23 0.00 2.22 2.10 0.00 3.71 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 2.22 2.16 0.00 89 L 7.55 4.05 0.00 1.95 1.86 1.04 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.24 4.14 1.43 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 0.00 0.00 91 Q 8.32 3.79 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.59 0.00 92 S 8.13 4.01 0.00 3.92 4.09 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 0.00 0.00 0.00 93 H 8.62 4.34 0.00 3.49 3.57 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.94 2.93 -0.09 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 0.00 0.00 0.00 0.00 0.00 95 T 7.09 3.82 4.12 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 0.89 0.00 0.00 96 K 7.41 4.14 0.00 1.55 1.65 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.12 1.33 7.81 97 H 8.24 4.22 0.00 3.01 3.18 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.57 3.82 0.00 1.87 1.84 0.00 1.76 0.00 0.00 2.37 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.49 7.81 99 I 8.24 4.21 2.04 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 1.41 0.98 1.04 0.00 0.00 100 P 0.00 4.53 0.00 1.97 1.99 0.00 2.80 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.25 0.00 101 I 8.32 3.40 1.73 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 1.34 0.79 0.70 0.00 0.00 102 K 7.85 3.72 0.00 1.72 1.65 0.00 1.56 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.41 0.59 7.81 103 Y 7.96 4.04 0.00 3.13 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 0.00 104 L 7.91 4.15 0.00 1.81 1.78 0.62 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.89 3.97 0.00 1.98 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 2.59 2.45 0.00 106 F 7.96 4.48 0.00 3.18 2.85 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 0.00 0.00 0.00 0.00 107 I 8.22 3.85 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 1.07 0.00 0.00 108 S 8.16 4.21 0.00 4.24 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 0.00 109 E 8.41 4.07 0.00 2.33 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 2.43 2.68 0.00 110 A 8.16 4.03 1.43 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 0.00 0.00 111 I 8.22 3.67 2.10 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 1.58 0.89 1.03 0.00 0.00 112 I 7.91 3.83 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.19 1.11 0.00 0.00 113 H 8.48 4.09 0.00 3.31 3.49 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 0.00 114 V 7.93 3.56 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 0.89 0.00 0.00 0.99 0.00 0.00 115 L 8.15 3.79 0.00 0.90 0.38 0.58 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.73 4.34 0.00 3.41 3.52 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.82 4.15 0.00 3.91 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 0.00 118 R 7.71 4.16 0.00 1.60 1.49 0.00 2.63 0.00 0.00 2.87 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.46 0.00 119 H 7.97 4.94 0.00 3.13 3.18 0.00 5.65 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.25 0.00 2.21 2.28 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 121 G 8.29 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.89 4.80 0.00 2.72 2.85 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 0.00 0.00 0.00 0.00 123 F 7.91 4.97 0.00 2.99 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 0.00 124 G 7.50 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 0.00 125 A 8.43 3.88 1.26 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 0.00 0.00 0.00 126 D 7.92 4.18 0.00 2.82 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 0.00 127 A 7.72 3.92 1.23 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 0.00 0.00 128 Q 7.83 3.28 0.00 1.48 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 129 G 8.28 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.03 3.91 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 0.00 131 M 8.38 4.03 0.00 2.43 2.46 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.87 0.00 132 N 8.36 4.34 0.00 2.91 2.92 0.00 0.00 7.21 6.20 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 0.00 133 K 8.09 4.12 0.00 1.85 1.69 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.57 7.81 134 A 7.93 3.87 1.28 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 0.00 0.00 0.00 135 L 8.19 4.06 0.00 1.75 1.80 0.98 0.66 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 0.00 136 E 8.40 4.02 0.00 2.21 2.01 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 2.35 2.60 0.00 137 L 8.12 3.99 0.00 1.90 1.99 1.01 1.05 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 0.00 138 F 8.31 4.18 0.00 3.11 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 0.00 139 R 8.21 3.59 0.00 2.01 1.85 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 140 K 8.39 3.86 0.00 1.93 1.95 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.47 7.81 141 D 8.19 4.38 0.00 2.82 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 0.00 142 I 7.58 3.62 1.34 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.24 0.38 0.00 0.00 143 A 8.15 3.79 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 0.00 144 A 7.95 3.99 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 0.00 145 K 7.87 4.00 0.00 2.11 1.92 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.54 7.81 146 Y 8.66 4.06 0.00 3.18 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 0.00 147 K 8.37 3.99 0.00 2.03 2.00 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.90 3.93 0.00 2.18 2.19 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 2.34 2.38 0.00 149 L 7.82 4.35 0.00 1.83 1.94 0.80 1.10 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 0.00 150 G 8.01 3.81 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 0.00 0.00 0.00 151 Y 8.38 4.22 0.00 2.71 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 0.00 152 Q 8.15 3.96 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 153 G 9.04 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 0.00 0.00 0.00