NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4173 8.1776 115.2911 58.0007 62.4165 174.0071 4 Q 4.1208 8.6860 125.6528 55.5747 28.4656 175.2900 5 I 4.2972 7.5551 111.0915 61.0274 40.5030 177.3054 6 R 4.1870 7.3925 120.8352 56.0977 30.3042 175.4673 7 Q 4.2623 8.7812 119.6215 56.6657 31.7701 173.1903 8 N 4.3551 9.2372 122.5795 54.4765 37.4461 172.5660 9 Y 4.9644 7.3731 117.7244 55.0508 39.7352 176.0341 10 S 4.3183 8.2057 123.3430 58.1292 65.6025 175.1227 11 T 3.7517 8.2286 114.0388 64.5356 68.1948 176.5971 12 D 4.2565 7.8250 122.0409 57.3115 40.9345 178.5018 13 V 3.5733 7.3824 118.8301 65.4182 31.4931 177.4894 14 E 3.6996 7.6857 119.0353 59.4755 29.5233 178.8939 15 A 4.0311 7.8643 119.9095 54.6944 18.6051 179.4076 16 A 3.9936 7.7053 118.9900 54.8409 18.2495 180.1555 17 V 3.5652 7.8833 117.1728 66.3638 31.6227 177.9651 18 N 4.2252 7.9335 115.6938 56.2366 38.2331 177.4643 19 S 4.0775 7.8965 114.4908 61.3514 62.5250 175.9758 20 L 4.0337 7.8026 122.7385 57.9060 41.7751 179.0044 21 V 3.7852 8.2151 118.8778 66.1732 31.4912 177.6088 22 N 4.3769 7.9657 116.8724 56.4355 38.7616 176.6734 23 L 3.9710 8.1040 122.0382 58.3269 42.1139 178.6135 24 Y 3.9759 8.5731 117.1917 60.9424 37.8297 178.1916 25 L 3.6892 8.1447 120.0616 57.7946 41.5981 179.4022 26 Q 4.1273 8.1004 118.8920 59.0031 28.9909 177.9700 27 A 3.8537 7.9949 122.0391 54.9248 18.3675 179.6208 28 S 4.3183 8.6156 112.0384 61.8458 62.5061 175.7272 29 Y 4.4876 8.1927 122.3103 61.0654 38.4265 178.2386 30 T 3.8213 8.1974 116.7927 66.9752 68.6027 176.3915 31 Y 4.0849 7.7569 118.4772 60.6326 37.8949 178.3416 32 L 4.1906 8.2257 121.6843 58.2327 42.2607 179.0410 33 S 4.3030 8.0778 112.6822 61.5626 62.5860 175.8579 34 L 3.4651 7.8390 121.9686 57.6159 40.9676 179.9188 35 G 3.7542 8.4945 104.7861 48.0021 0.0000 175.5271 36 F 4.3402 8.3994 119.3764 59.1200 38.8898 177.3895 37 Y 4.2472 8.2201 120.1730 60.6965 38.7426 177.2563 38 F 4.2915 7.9354 115.9234 58.7273 39.3934 176.6349 39 D 4.4954 7.6189 119.5975 55.8968 41.6294 176.9054 40 R 4.0186 7.5649 119.0717 56.4210 30.4075 177.3014 41 D 4.5555 8.7571 121.5089 55.5104 39.4642 176.5941 42 D 4.6372 7.9268 117.7724 53.5555 40.1584 176.0834 43 V 3.9116 7.4140 116.5852 64.3359 33.8982 175.0945 44 A 3.8244 8.2563 120.1256 53.4775 16.3991 178.3010 45 L 4.7870 8.1104 122.1617 50.8632 42.8719 177.3153 46 E 4.0211 8.5223 122.9633 59.3751 29.9302 178.1362 47 G 3.5590 7.9857 104.8022 48.0593 0.0000 175.7349 48 V 3.4364 7.5320 120.9520 65.0267 31.6373 177.7730 49 S 4.2446 8.4109 113.5614 61.8446 62.3417 175.7679 50 H 4.1183 8.5246 121.1386 58.9613 29.2554 176.8394 51 F 4.3713 7.9879 122.1526 61.6060 39.1629 177.2406 52 F 3.8715 7.6529 116.6062 60.2516 38.4147 178.0740 53 R 3.9991 7.9012 117.3648 59.0447 29.7550 178.9595 54 E 3.9696 7.9152 118.5743 59.2737 29.4810 179.2541 55 L 3.7905 7.2253 118.3679 57.2299 41.1426 179.3864 56 A 4.2290 7.8046 121.2550 55.0498 18.3325 179.1543 57 E 3.9897 7.8258 116.4441 58.9606 29.7661 178.7417 58 E 3.9435 8.1292 118.9538 59.3773 29.4992 179.4439 59 K 4.3740 8.2974 118.4425 59.2263 31.7857 179.4753 60 R 3.0881 7.6819 119.1593 59.1318 30.1026 178.3387 61 E 3.9677 8.1369 118.3003 58.5870 29.5314 179.4336 62 G 3.3381 7.6692 106.4587 47.8599 0.0000 175.4794 63 Y 4.3846 7.9853 120.7724 58.8388 38.0227 177.8463 64 E 4.1500 7.4882 120.7900 59.1647 29.7224 178.7984 65 R 4.0074 7.9258 118.4649 59.1474 30.0058 178.6740 66 L 4.2313 8.0883 118.7486 57.9133 41.6310 179.4505 67 L 4.0401 8.0285 118.4030 57.3619 41.3577 179.5394 68 K 3.9800 8.0433 120.1016 59.6281 32.2481 178.6337 69 M 3.8099 8.1173 118.6145 58.4019 31.8033 177.6415 70 Q 3.8531 8.1476 120.0975 59.4275 29.0476 178.0770 71 N 4.2912 7.8525 116.7255 56.3725 38.6455 177.3240 72 Q 4.0578 7.4742 118.9704 59.0338 29.0464 178.6665 73 R 3.7463 7.5687 118.5533 57.2875 29.6684 178.2005 74 G 4.0012 7.5894 105.4305 45.3325 0.0000 174.2414 75 G 4.2861 7.8347 107.4794 45.0244 0.0000 172.7154 76 R 4.5864 7.9202 117.0058 53.7482 32.9083 176.0490 77 A 4.1268 8.4046 125.0725 51.8950 19.0304 177.0575 78 L 4.4701 8.7113 122.3312 52.9667 44.5921 176.2238 79 F 4.7543 8.5718 122.6703 56.2606 40.3221 175.3493 80 Q 4.8096 8.3184 122.2216 53.5001 32.0028 175.1663 81 D 4.4359 8.5484 119.2753 54.8474 41.3344 176.3631 82 I 4.2865 8.1318 124.0458 59.6930 38.0673 175.9511 83 K 4.1469 8.6257 126.0753 55.7426 32.4813 177.3036 84 K 3.6538 8.3854 122.7376 55.6206 31.9410 174.7802 85 P 4.3085 0.0000 0.0000 62.7087 31.7536 177.5563 86 A 4.0339 8.4914 122.2510 54.5559 18.5053 176.9195 87 E 4.2795 6.5360 111.3743 55.2255 33.6240 174.3199 88 D 4.6587 7.8907 116.6823 54.0354 43.2154 176.5204 89 E 3.9584 7.2443 117.3343 54.1859 32.4738 175.2840 90 W 4.4173 6.4545 121.9930 55.5213 30.4283 177.7943 91 G 3.7141 7.4410 107.9879 47.2348 0.0000 175.7949 92 K 4.6304 8.7134 124.6216 55.2615 34.4541 177.6068 93 T 4.1588 8.6219 116.3836 66.9014 68.2651 175.2084 94 P 4.3896 0.0000 0.0000 65.3183 31.3120 178.5590 95 D 4.4488 8.2495 117.4699 57.3736 41.0325 178.3857 96 A 4.2025 8.3963 121.3285 55.4191 18.4049 179.3795 97 M 4.3839 8.6435 116.9972 58.8138 32.3985 178.5946 98 K 4.1742 8.0861 118.6556 59.0325 32.2529 179.2200 99 A 4.1106 8.2245 121.1363 54.8180 18.2159 179.6196 100 A 3.9030 8.1387 119.5377 55.4903 18.6082 179.3723 101 M 4.0215 8.2681 116.5999 58.9156 32.2083 178.3641 102 A 4.0332 8.0468 120.7004 55.1042 18.6743 179.4229 103 L 3.9399 7.9403 118.8056 57.9281 42.0332 179.1653 104 E 3.9922 8.3944 119.0429 59.5002 29.5671 179.2875 105 K 4.1088 8.1641 118.3450 59.2046 32.0157 179.4770 106 K 3.8877 7.8785 119.6639 59.4977 32.2262 178.8999 107 L 3.8551 7.6507 118.7680 57.7246 41.4316 178.8858 108 N 4.3296 8.7579 117.3042 56.9585 38.7672 176.6779 109 Q 3.9381 8.1812 120.6145 59.1028 29.2182 177.9523 110 A 3.9905 8.1310 121.8183 54.7686 18.2193 179.7858 111 L 3.9139 7.9879 117.7875 58.0942 41.8819 179.4048 112 L 4.0132 8.1852 119.1408 58.0645 41.5226 179.5234 113 D 4.3821 8.4817 119.1096 57.2715 40.8683 178.5726 114 L 4.0395 7.8897 120.6894 58.0894 42.0155 178.5280 115 H 4.2146 8.5732 118.7125 58.9848 29.8100 177.0874 116 A 4.0117 8.2094 122.7222 55.1230 18.2476 179.4077 117 L 4.0469 8.2099 119.0374 58.0267 42.0933 179.5046 118 G 3.5937 7.9747 105.7910 47.8430 0.0000 175.8354 119 S 4.1074 8.1739 117.6434 61.1226 62.6080 176.5928 120 A 4.0064 7.6814 122.1962 55.3175 18.2354 179.2220 121 R 4.2206 7.7762 113.2630 55.2081 31.1022 177.0791 122 T 3.4562 7.3391 108.0969 62.7906 68.0105 174.4332 123 D 4.7992 7.9948 120.9333 52.5969 41.7531 173.1555 124 P 4.3189 0.0000 0.0000 65.4980 31.3926 177.9019 125 H 4.1160 8.3014 117.7159 59.2191 29.9826 176.8390 126 L 4.0868 7.9654 121.7623 58.2339 41.8854 178.5348 127 C 4.1396 7.9501 116.7502 63.0704 28.1751 175.6506 128 D 4.6056 8.2485 120.6948 56.8070 40.8746 177.7643 129 F 4.1934 8.6072 121.5580 61.6349 39.2160 177.1881 130 L 4.2698 8.2326 118.2684 57.6993 40.9587 179.2631 131 E 3.9960 8.2821 118.7344 59.9018 29.1391 179.0999 132 T 3.8029 8.2791 115.4613 66.4988 68.6137 175.9844 133 H 4.2080 7.7846 118.1614 57.0651 29.3503 175.9866 134 F 4.6851 7.6529 116.5618 58.6657 40.7916 177.2811 135 L 3.9639 8.3685 118.6080 58.3492 41.6279 179.5034 136 D 4.3559 8.0681 117.0243 57.1605 41.4002 177.9023 137 E 4.0273 8.1217 118.6555 59.0002 29.4239 179.1043 138 E 4.0370 8.3211 118.9994 59.4897 29.7135 179.3465 139 V 3.7290 7.5598 118.3405 65.8420 31.5173 178.2704 140 K 3.9856 8.2224 118.3437 59.3316 31.9686 179.0537 141 L 4.0265 7.8753 120.3905 58.1373 41.9153 179.1040 142 I 3.7158 8.2975 120.0990 64.3844 37.1325 178.0856 143 K 3.8426 8.0755 120.4228 59.5876 31.9166 178.5828 144 K 3.8960 8.1392 119.6443 59.8733 32.1539 178.8183 145 M 4.3832 8.2526 119.1049 58.3233 31.7272 179.0204 146 G 3.6530 8.5799 106.4187 47.7355 0.0000 175.6210 147 D 4.3609 8.0696 121.2409 57.4630 40.8393 178.4564 148 H 4.1552 8.1571 116.7354 58.8019 28.6169 177.8447 149 L 4.0555 8.1602 120.7579 58.2392 41.3605 179.6908 150 T 3.8649 7.7262 115.4967 66.7538 68.2406 176.4748 151 N 4.4101 8.1934 118.3063 56.0046 38.3946 177.5375 152 L 3.9854 8.1848 120.0193 58.2015 41.8560 178.7614 153 H 4.2520 8.2911 116.9599 59.2565 29.8123 176.9814 154 R 4.0717 7.6097 119.8393 58.9818 29.9734 176.7002 155 L 4.3098 7.6242 122.3912 54.9213 41.8498 176.5445 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 3 S 8.18 4.42 0.00 3.88 3.87 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 4 Q 8.69 4.12 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 5 I 7.56 4.30 1.84 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 1.28 0.68 0.90 0.00 0.00 6 R 7.39 4.19 0.00 1.78 1.91 0.00 3.21 0.00 0.00 3.04 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 7 Q 8.78 4.26 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.10 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 8 N 9.24 4.36 0.00 2.89 2.88 0.00 0.00 6.95 7.54 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 9 Y 7.37 4.96 0.00 2.74 2.83 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 10 S 8.21 4.32 0.00 4.00 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 11 T 8.23 3.75 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 1.14 0.00 0.00 12 D 7.83 4.26 0.00 2.67 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 13 V 7.38 3.57 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 1.10 0.00 0.00 0.90 0.00 0.00 14 E 7.69 3.70 0.00 1.59 1.80 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 2.24 2.54 0.00 15 A 7.86 4.03 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 16 A 7.71 3.99 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 17 V 7.88 3.57 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 1.17 0.00 0.00 1.05 0.00 0.00 18 N 7.93 4.23 0.00 2.86 2.79 0.00 0.00 6.74 8.50 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 19 S 7.90 4.08 0.00 4.05 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 20 L 7.80 4.03 0.00 2.02 1.84 0.96 0.71 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 21 V 8.22 3.79 2.33 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 1.07 0.00 0.00 1.04 0.00 0.00 22 N 7.97 4.38 0.00 2.89 2.99 0.00 0.00 6.90 6.61 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 23 L 8.10 3.97 0.00 1.79 1.84 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.57 3.98 0.00 3.57 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 25 L 8.14 3.69 0.00 1.82 1.57 0.93 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.10 4.13 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.63 0.00 27 A 7.99 3.85 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 28 S 8.62 4.32 0.00 4.30 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 29 Y 8.19 4.49 0.00 3.24 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 30 T 8.20 3.82 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 0.86 0.00 0.00 31 Y 7.76 4.08 0.00 3.22 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 32 L 8.23 4.19 0.00 2.14 2.13 1.23 0.74 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 33 S 8.08 4.30 0.00 4.06 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 0.00 34 L 7.84 3.47 0.00 1.49 0.98 -0.14 0.01 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 35 G 8.49 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 36 F 8.40 4.34 0.00 3.36 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 37 Y 8.22 4.25 0.00 3.32 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 38 F 7.94 4.29 0.00 3.35 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 39 D 7.62 4.50 0.00 2.64 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 40 R 7.56 4.02 0.00 1.79 1.98 0.00 3.33 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 41 D 8.76 4.56 0.00 2.79 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 42 D 7.93 4.64 0.00 2.79 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 43 V 7.41 3.91 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 0.78 0.00 0.00 0.38 0.00 0.00 44 A 8.26 3.82 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 45 L 8.11 4.79 0.00 1.79 1.52 1.02 0.60 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 46 E 8.52 4.02 0.00 2.03 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 2.36 2.40 0.00 47 G 7.99 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.53 3.44 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.70 0.00 0.00 49 S 8.41 4.24 0.00 4.03 4.02 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 0.00 0.00 0.00 50 H 8.52 4.12 0.00 3.29 3.40 0.00 5.65 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 7.99 4.37 0.00 2.96 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 52 F 7.65 3.87 0.00 3.14 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 53 R 7.90 4.00 0.00 1.91 1.89 0.00 2.64 0.00 0.00 2.98 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.83 0.00 54 E 7.92 3.97 0.00 2.09 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 2.20 2.35 0.00 55 L 7.23 3.79 0.00 0.83 0.59 -0.38 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.80 4.23 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 0.00 0.00 0.00 0.00 0.00 57 E 7.83 3.99 0.00 2.13 2.03 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 2.28 2.36 0.00 58 E 8.13 3.94 0.00 2.21 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 2.28 2.45 0.00 59 K 8.30 4.37 0.00 2.12 2.39 0.00 2.20 0.00 0.00 2.04 0.00 0.00 3.13 0.00 0.00 3.47 0.00 0.00 0.00 0.00 2.02 2.01 7.81 60 R 7.68 3.09 0.00 2.07 2.02 0.00 3.12 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.72 0.00 61 E 8.14 3.97 0.00 2.12 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 0.00 2.23 2.31 0.00 62 G 7.67 3.34 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 0.00 63 Y 7.99 4.38 0.00 3.34 3.43 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 64 E 7.49 4.15 0.00 1.92 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 2.34 1.96 0.00 65 R 7.93 4.01 0.00 2.03 2.00 0.00 2.62 0.00 0.00 2.57 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 66 L 8.09 4.23 0.00 2.09 1.82 0.80 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.03 4.04 0.00 2.01 1.83 1.37 0.38 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 68 K 8.04 3.98 0.00 2.12 2.01 0.00 1.54 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.49 7.81 69 M 8.12 3.81 0.00 1.76 1.50 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.95 0.00 70 Q 8.15 3.85 0.00 2.31 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.53 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 71 N 7.85 4.29 0.00 2.67 2.87 0.00 0.00 7.21 9.04 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 72 Q 7.47 4.06 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.01 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 73 R 7.57 3.75 0.00 0.98 0.66 0.00 2.83 0.00 0.00 2.74 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.79 0.00 74 G 7.59 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 75 G 7.83 4.29 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 0.00 76 R 7.92 4.59 0.00 1.88 1.79 0.00 3.34 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 77 A 8.40 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.71 4.47 0.00 1.42 1.48 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.57 4.75 0.00 3.07 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 80 Q 8.32 4.81 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 81 D 8.55 4.44 0.00 2.69 2.64 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 82 I 8.13 4.29 1.93 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.50 1.08 0.00 0.00 83 K 8.63 4.15 0.00 1.76 1.74 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.43 7.81 84 K 8.39 3.65 0.00 1.60 1.71 0.00 1.49 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.34 7.81 85 P 0.00 4.31 0.00 2.33 2.38 0.00 3.22 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 86 A 8.49 4.03 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 87 E 6.54 4.28 0.00 1.16 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 0.00 0.00 0.00 1.60 1.47 0.00 88 D 7.89 4.66 0.00 2.42 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 89 E 7.24 3.96 0.00 1.64 1.63 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 2.18 2.17 0.00 90 W 6.45 4.42 0.00 2.78 3.06 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 91 G 7.44 3.71 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 0.00 0.00 0.00 92 K 8.71 4.63 0.00 2.15 1.90 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.58 7.81 93 T 8.62 4.16 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 1.17 0.00 0.00 94 P 0.00 4.39 0.00 2.25 2.19 0.00 3.72 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 2.18 2.25 0.00 95 D 8.25 4.45 0.00 3.20 2.83 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 96 A 8.40 4.20 1.76 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 97 M 8.64 4.38 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.74 0.00 98 K 8.09 4.17 0.00 2.03 1.91 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.67 7.81 99 A 8.22 4.11 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 0.00 100 A 8.14 3.90 1.72 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 0.00 0.00 101 M 8.27 4.02 0.00 2.38 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.67 0.00 102 A 8.05 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 103 L 7.94 3.94 0.00 1.77 1.77 0.80 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.39 3.99 0.00 2.32 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 2.69 2.62 0.00 105 K 8.16 4.11 0.00 1.84 1.90 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.67 7.81 106 K 7.88 3.89 0.00 1.91 1.95 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.45 7.81 107 L 7.65 3.86 0.00 1.89 1.57 0.75 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.76 4.33 0.00 2.90 3.01 0.00 0.00 6.89 7.54 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 0.00 109 Q 8.18 3.94 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 110 A 8.13 3.99 1.36 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 0.00 111 L 7.99 3.91 0.00 1.99 1.76 1.11 0.19 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 0.00 112 L 8.19 4.01 0.00 1.87 1.76 0.94 1.36 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 0.00 113 D 8.48 4.38 0.00 2.87 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 0.00 114 L 7.89 4.04 0.00 1.95 1.84 0.94 0.98 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 0.00 115 H 8.57 4.21 0.00 3.35 3.51 0.00 5.64 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 0.00 116 A 8.21 4.01 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 0.00 117 L 8.21 4.05 0.00 1.78 1.92 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 118 G 7.97 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 0.00 0.00 0.00 119 S 8.17 4.11 0.00 4.00 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 0.00 120 A 7.68 4.01 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 0.00 121 R 7.78 4.22 0.00 1.82 1.96 0.00 3.46 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 122 T 7.34 3.46 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 1.25 0.00 0.00 123 D 7.99 4.80 0.00 2.78 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 0.00 124 P 0.00 4.32 0.00 2.34 2.33 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 125 H 8.30 4.12 0.00 3.22 3.51 0.00 5.68 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 0.00 126 L 7.97 4.09 0.00 1.93 1.75 1.07 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 127 C 7.95 4.14 0.00 3.22 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 0.00 128 D 8.25 4.61 0.00 2.84 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 0.00 129 F 8.61 4.19 0.00 3.09 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 0.00 130 L 8.23 4.27 0.00 2.07 1.83 1.08 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.28 4.00 0.00 2.20 2.00 0.00 0.00 0.00 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 2.62 0.00 132 T 8.28 3.80 4.05 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 0.82 0.00 0.00 133 H 7.78 4.21 0.00 2.20 2.60 0.00 5.61 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 0.00 134 F 7.65 4.69 0.00 3.17 3.06 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 0.00 135 L 8.37 3.96 0.00 1.69 1.76 0.86 1.19 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 0.00 136 D 8.07 4.36 0.00 2.73 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 0.00 137 E 8.12 4.03 0.00 2.15 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 2.34 2.42 0.00 138 E 8.32 4.04 0.00 2.24 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 0.00 2.71 2.63 0.00 139 V 7.56 3.73 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 1.05 0.00 0.00 1.04 0.00 0.00 140 K 8.22 3.99 0.00 1.86 1.85 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.63 7.81 141 L 7.88 4.03 0.00 1.99 1.97 0.99 1.10 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 0.00 142 I 8.30 3.72 2.04 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 1.47 0.87 0.96 0.00 0.00 143 K 8.08 3.84 0.00 1.94 2.09 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.50 7.81 144 K 8.14 3.90 0.00 2.04 2.00 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.40 7.81 145 M 8.25 4.38 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.83 0.00 146 G 8.58 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 0.00 0.00 0.00 147 D 8.07 4.36 0.00 2.79 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 0.00 148 H 8.16 4.16 0.00 3.36 3.28 0.00 5.62 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 0.00 149 L 8.16 4.06 0.00 1.89 1.76 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 150 T 7.73 3.86 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 1.21 0.00 0.00 151 N 8.19 4.41 0.00 2.88 2.85 0.00 0.00 7.01 6.74 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 0.00 152 L 8.18 3.99 0.00 1.84 1.78 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 0.00 153 H 8.29 4.25 0.00 3.23 3.57 0.00 5.76 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 R 7.61 4.07 0.00 1.96 2.09 0.00 3.31 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 155 L 7.62 4.31 0.00 1.74 1.57 0.91 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00