NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4695 8.1633 120.6131 55.4200 33.8204 173.4655 2 K 4.8428 8.4180 126.5045 54.8846 33.9961 174.2299 3 I 4.8685 8.7204 126.4850 59.4247 40.2820 174.0589 4 L 4.4595 8.3737 129.5084 53.8297 43.6254 175.1499 5 V 4.7517 8.7660 127.4139 61.5630 33.3905 174.1866 6 I 5.0883 8.9208 129.9327 59.7774 39.7068 174.7002 7 Q 4.7969 9.3479 126.6403 54.2352 31.3534 176.4528 8 G 4.1110 8.9093 115.4552 43.6951 0.0000 170.5262 9 P 4.3916 0.0000 0.0000 64.3258 31.5140 176.6068 10 N 4.4367 9.1574 116.7795 53.7025 37.9728 176.5382 11 L 3.9256 7.3630 118.5166 57.1003 41.8184 178.6937 12 N 4.4192 7.9715 114.6507 54.9714 36.0123 175.3740 13 M 4.3112 7.9168 118.3750 55.1168 32.6197 176.0546 14 L 3.9594 7.4302 120.4177 56.2846 42.5940 177.7918 15 G 4.2893 8.9612 114.6082 46.5334 0.0000 175.3726 16 H 4.1154 7.2056 115.1026 58.3799 28.7272 176.3870 17 R 4.3435 7.9901 114.9806 55.2916 30.7189 175.4633 18 D 4.6006 8.1218 117.9627 53.8111 39.0192 173.0897 19 P 4.6181 0.0000 0.0000 63.7290 30.7003 176.4658 20 R 4.0922 9.0277 122.6558 57.4966 30.6917 177.7892 21 L 3.8546 7.9139 117.9748 57.8238 41.9884 178.2173 22 Y 4.2690 7.9165 113.7938 58.4382 39.1570 174.2106 23 G 3.9611 6.8570 101.5375 44.6368 0.0000 173.1599 24 M 4.4798 8.5792 117.4687 55.2391 33.9441 176.1886 25 V 4.0526 7.5950 118.9295 62.2578 32.6763 176.1778 26 T 4.4741 7.9804 118.7411 59.9588 71.3216 175.8377 27 L 3.6919 8.0247 122.2807 58.1994 42.0723 178.4909 28 D 4.1552 7.8383 118.3508 57.5415 40.8172 178.7077 29 Q 4.2254 7.7549 118.1169 58.8631 28.5993 178.9902 30 I 3.5921 7.4259 120.9839 64.6517 37.1145 178.2238 31 H 3.8771 7.6804 116.9963 58.4226 28.2207 177.7517 32 E 3.9235 8.4799 120.8727 59.6288 29.3804 179.1923 33 I 3.7797 7.7848 119.6925 64.8567 37.1319 178.4221 34 M 4.4294 8.0273 120.5413 58.0264 31.8059 178.5793 35 Q 4.1332 8.1546 118.0519 59.5034 28.8957 178.9618 36 T 3.9198 8.3160 116.9658 67.0243 68.2924 176.1846 37 F 4.0775 8.4041 122.1070 61.2978 39.4856 177.3363 38 V 3.7950 8.0632 117.9344 65.8568 31.2533 178.1852 39 K 3.9767 8.3995 118.5270 59.5299 31.8773 179.1446 40 Q 4.2436 8.0821 115.6183 57.2954 28.8406 177.3669 41 G 3.7922 6.9026 106.7897 43.9011 0.0000 172.7254 42 N 4.2092 9.0343 116.4565 53.8387 36.8394 174.4941 43 L 4.0951 7.4958 116.9832 55.1180 42.5984 177.7011 44 D 4.6450 8.3179 123.2274 52.9102 39.7135 175.7668 45 V 4.7010 7.2912 118.5891 61.2217 35.1790 174.5746 46 E 4.6687 9.0901 127.6793 54.7699 31.5212 174.9148 47 L 4.8550 8.4106 124.5157 53.3391 43.5281 175.4007 48 E 4.4819 8.7383 124.4768 54.4216 31.8190 174.4427 49 F 5.3844 8.5757 125.3100 56.1798 41.3635 175.1342 50 F 5.0932 9.2205 124.2342 57.0175 43.0518 172.7165 51 Q 4.8740 7.9630 126.2233 54.6492 31.7375 173.8295 52 T 4.5951 8.4171 118.8956 61.3008 70.7854 172.9960 53 N 4.7714 9.0962 120.8944 53.0947 39.6971 175.2387 54 F 4.7357 8.6880 119.6992 55.6483 40.8185 175.6315 55 E 3.7448 8.9979 124.8421 59.5985 29.2189 179.1801 56 G 3.7258 8.2084 104.8170 47.9458 0.0000 175.3293 57 E 4.0957 8.2800 120.3629 59.1747 29.6258 179.1288 58 I 3.9096 8.0118 119.9599 64.5408 37.1364 178.5398 59 I 3.7153 7.8984 120.4028 64.4728 36.8931 177.9019 60 D 4.3755 8.2697 119.9725 57.5766 40.8404 179.2487 61 K 3.7909 8.2456 119.7978 59.3673 31.9532 178.7337 62 I 3.6814 7.6286 119.0816 64.6456 37.2812 178.0425 63 Q 4.1516 8.2787 118.7696 59.1112 28.3845 178.7608 64 E 4.0432 8.3180 118.3852 58.6824 29.2750 179.0586 65 S 4.5395 7.9306 114.0802 60.9993 62.8588 176.2179 66 V 3.7459 7.8220 122.4332 65.9854 31.4125 177.9056 67 G 3.7882 8.0181 105.5239 47.0880 0.0000 173.2168 68 S 4.5609 7.4779 114.7570 57.3375 64.7551 172.9061 69 D 4.7072 8.0645 117.6081 53.9297 39.6977 175.7007 70 Y 4.7622 7.2905 117.8643 58.3784 38.7799 175.7967 71 E 4.3145 9.3243 125.6747 58.8786 30.6729 176.6901 72 G 4.1912 7.6914 103.9736 45.5919 0.0000 172.2217 73 I 5.1672 8.8211 120.9766 59.3435 40.7518 174.8144 74 I 4.9044 8.6709 127.5575 59.6693 39.5814 174.6108 75 I 5.0763 9.0787 126.8581 59.3927 41.8710 173.2842 76 N 5.3442 9.1278 127.8560 50.3681 40.4949 172.8573 77 P 4.5577 0.0000 0.0000 62.3192 32.8634 178.1070 78 G 3.6667 8.8026 109.0070 46.2475 0.0000 176.1036 79 A 4.1028 8.2478 122.8824 54.5164 18.6960 179.2318 80 F 4.8885 7.7790 114.1808 59.8021 38.9170 177.6570 81 S 4.4910 8.3241 117.2030 61.0375 62.3633 175.6545 82 H 4.8945 7.9456 117.2326 56.0403 28.9383 176.0172 83 T 4.7161 7.9887 108.4575 61.5397 70.9108 174.7484 84 S 4.4537 8.3239 117.6521 56.5611 61.1887 173.9223 85 I 3.3738 7.7012 128.4394 63.6249 37.0431 177.2169 86 A 3.9262 7.8713 121.0358 55.5181 18.1586 179.6887 87 I 3.6777 8.0327 118.1134 64.2062 37.1336 178.4921 88 A 4.0386 7.9453 121.7904 55.2795 18.2414 179.3783 89 D 4.2626 8.5633 117.4342 57.4874 40.7145 178.6380 90 A 4.0084 7.8285 119.8134 55.5403 18.6563 179.4079 91 I 3.8203 8.1804 118.3933 64.9153 36.9620 178.6671 92 M 4.1885 8.0002 118.6291 57.4552 31.6416 177.6926 93 L 4.4864 7.7531 118.0476 55.6224 40.8007 178.1090 94 A 3.9772 7.9662 123.4245 53.4540 18.7195 178.0303 95 G 4.0927 7.3761 104.9415 45.4094 0.0000 172.8536 96 K 4.4419 7.4406 113.7596 54.6051 35.3666 173.2571 97 P 4.3654 0.0000 0.0000 63.0338 32.5526 175.3907 98 V 4.8900 8.5029 123.7663 61.0812 34.6954 173.8493 99 I 4.8989 8.8367 128.7047 59.4824 40.0788 174.0497 100 E 4.9224 8.9003 128.4080 55.0627 30.8286 174.8373 101 V 4.7772 8.8250 126.5787 61.3176 34.9014 173.7818 102 H 5.0238 9.1936 123.7966 54.0079 32.1590 173.9920 103 L 4.1688 9.1009 123.7632 58.1137 42.0400 177.8719 104 T 4.3415 7.7186 106.7572 60.2574 70.4035 174.6127 105 N 4.4579 8.1531 121.3552 52.7122 37.5298 175.4021 106 I 3.9710 7.9207 118.7074 62.4774 38.1987 178.7356 107 Q 3.9321 7.8297 120.1926 58.4118 28.5679 176.8702 108 A 4.5466 8.1151 119.2092 51.7486 19.2524 176.4818 109 R 4.7354 7.2406 118.8565 55.3899 33.2237 175.4169 110 E 3.7704 8.2162 116.9966 57.0931 30.2511 177.7366 111 E 3.7892 8.6921 121.9580 59.4058 29.6330 179.0676 112 F 4.4609 7.7455 110.9854 58.6576 37.9822 175.5971 113 R 3.8580 6.9654 119.2314 56.3206 30.9313 177.7739 114 K 4.2184 7.7334 117.1313 58.5691 31.9088 177.6138 115 N 4.1771 7.9890 117.5845 53.7052 39.4056 173.3773 116 S 4.7344 8.2269 118.4704 55.6782 63.9208 173.6925 117 Y 4.2829 8.3243 127.5640 61.3841 37.7415 178.8254 118 T 4.0773 8.2081 110.1112 64.9407 68.6477 176.4919 119 G 3.6457 8.2757 107.5393 47.3929 0.0000 175.2761 120 A 4.1649 7.9716 122.0768 54.7288 18.4678 179.1153 121 A 4.1764 7.5644 117.7955 53.5895 18.8643 177.7638 122 C 4.4459 7.0417 114.7812 58.9574 29.1890 174.0434 123 G 3.8107 8.4191 109.5597 49.5430 0.0000 173.8962 124 G 4.3983 7.6992 105.0418 45.1720 0.0000 172.3551 125 V 5.1267 8.2066 119.3024 61.0582 35.0610 174.4143 126 I 4.8714 9.0496 128.0874 59.6933 40.3363 174.3664 127 M 5.0765 8.8112 123.4577 54.5577 34.2491 175.3201 128 G 3.6839 9.0844 109.3548 45.8522 0.0000 173.6931 129 F 4.6839 8.0785 115.0181 55.9834 40.1085 177.7939 130 G 3.9016 8.0963 110.8338 45.5398 0.0000 173.2258 131 P 4.5435 0.0000 0.0000 65.5446 31.8933 178.1189 132 L 4.0808 8.2882 119.5298 58.1218 41.7606 178.8495 133 G 3.7239 8.3290 105.6970 48.2090 0.0000 175.2011 134 Y 4.0228 8.2465 118.6689 60.9711 37.5131 178.2847 135 N 3.8957 8.0476 116.9690 56.3300 38.6135 177.1740 136 M 3.8428 7.8083 119.9073 58.1012 31.9538 178.7149 137 A 3.9174 7.8213 120.8886 54.9969 18.5100 179.3861 138 L 3.9010 8.0213 117.8235 58.3040 41.7944 179.1879 139 M 4.1002 8.4343 117.8807 59.0077 32.0563 178.1971 140 A 3.9964 8.0300 120.5040 55.1691 18.4930 179.1256 141 M 3.9334 8.5911 117.0739 58.9415 32.2731 178.4666 142 V 3.6389 8.0105 118.3695 66.3640 31.6483 177.7776 143 N 4.4088 8.3231 116.0361 56.2529 38.3408 177.6114 144 I 3.7911 8.1332 121.8205 64.1325 37.1875 178.5312 145 L 3.9400 8.4502 120.0737 57.7272 41.4908 178.9749 146 A 3.9957 8.2449 121.2388 55.6745 18.0883 179.4053 147 E 3.9741 8.3057 117.1900 59.3297 29.3570 178.8592 148 M 4.1605 8.0629 119.1813 58.2070 31.8148 178.5955 149 K 4.1151 8.0425 117.1783 58.4529 32.7733 178.8858 150 A 4.3099 8.1944 121.5760 55.3637 18.1315 179.4054 151 F 4.3420 7.8590 117.5342 61.3480 39.4821 176.4520 152 Q 3.9102 7.5914 118.0280 59.6046 28.8713 177.3019 153 E 4.2057 7.5970 120.9382 56.6891 29.6526 176.7788 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 M 8.16 4.47 0.00 2.45 2.07 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.62 0.00 2 K 8.42 4.84 0.00 2.02 1.94 0.00 1.17 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.46 1.45 7.81 3 I 8.72 4.87 1.86 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 1.15 1.00 0.96 0.00 0.00 4 L 8.37 4.46 0.00 0.82 1.18 0.74 0.36 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 5 V 8.77 4.75 2.21 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 1.16 0.00 0.00 0.99 0.00 0.00 6 I 8.92 5.09 1.97 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 1.43 0.59 1.09 0.00 0.00 7 Q 9.35 4.80 0.00 1.88 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 8 G 8.91 4.11 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 0.00 9 P 0.00 4.39 0.00 1.81 1.69 0.00 3.68 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.44 0.00 10 N 9.16 4.44 0.00 2.78 2.86 0.00 0.00 6.95 6.12 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 11 L 7.36 3.93 0.00 1.74 1.66 0.99 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.97 4.42 0.00 2.78 3.01 0.00 0.00 6.03 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 13 M 7.92 4.31 0.00 2.01 2.13 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 2.51 2.57 0.00 14 L 7.43 3.96 0.00 1.70 1.73 0.89 0.96 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 15 G 8.96 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 16 H 7.21 4.12 0.00 3.17 3.36 0.00 5.66 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.99 4.34 0.00 1.79 1.96 0.00 3.53 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 18 D 8.12 4.60 0.00 2.94 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 19 P 0.00 4.62 0.00 2.13 2.13 0.00 3.83 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 20 R 9.03 4.09 0.00 1.91 1.96 0.00 3.13 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 21 L 7.91 3.85 0.00 1.17 1.39 1.15 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.92 4.27 0.00 2.93 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 23 G 6.86 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 M 8.58 4.48 0.00 1.99 2.10 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 2.51 2.49 0.00 25 V 7.59 4.05 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 0.86 0.00 0.00 0.94 0.00 0.00 26 T 7.98 4.47 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 1.07 0.00 0.00 27 L 8.02 3.69 0.00 1.73 1.52 0.73 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.84 4.16 0.00 2.63 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 29 Q 7.75 4.23 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 30 I 7.43 3.59 1.61 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.62 0.29 0.00 0.00 31 H 7.68 3.88 0.00 2.65 1.45 0.00 5.64 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 32 E 8.48 3.92 0.00 2.05 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 2.32 2.30 0.00 33 I 7.78 3.78 2.03 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 1.54 1.04 0.95 0.00 0.00 34 M 8.03 4.43 0.00 2.30 2.51 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 2.86 2.54 0.00 35 Q 8.15 4.13 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.71 0.00 0.00 0.00 0.00 0.00 2.83 2.70 0.00 36 T 8.32 3.92 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 1.27 0.00 0.00 37 F 8.40 4.08 0.00 3.29 3.27 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 38 V 8.06 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 1.05 0.00 0.00 1.10 0.00 0.00 39 K 8.40 3.98 0.00 1.84 1.83 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.51 7.81 40 Q 8.08 4.24 0.00 1.86 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 41 G 6.90 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 9.03 4.21 0.00 2.76 2.87 0.00 0.00 6.96 7.73 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 43 L 7.50 4.10 0.00 1.70 1.63 0.89 0.76 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 44 D 8.32 4.64 0.00 2.61 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 45 V 7.29 4.70 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 0.95 0.00 0.00 0.97 0.00 0.00 46 E 9.09 4.67 0.00 1.95 1.83 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 2.24 2.26 0.00 47 L 8.41 4.86 0.00 1.04 0.72 1.08 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.74 4.48 0.00 2.14 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 2.24 2.35 0.00 49 F 8.58 5.38 0.00 2.94 2.68 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 50 F 9.22 5.09 0.00 3.09 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 7.96 4.87 0.00 1.96 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.53 0.00 0.00 0.00 0.00 0.00 2.33 2.17 0.00 52 T 8.42 4.60 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 1.35 0.00 0.00 53 N 9.10 4.77 0.00 2.63 2.66 0.00 0.00 6.88 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.69 4.74 0.00 3.17 3.09 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 55 E 9.00 3.74 0.00 1.25 1.74 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 2.14 1.75 0.00 56 G 8.21 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 0.00 0.00 0.00 57 E 8.28 4.10 0.00 2.27 2.40 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 2.60 2.42 0.00 58 I 8.01 3.91 2.14 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.13 1.03 0.00 0.00 59 I 7.90 3.72 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.81 0.91 0.00 0.00 60 D 8.27 4.38 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 61 K 8.25 3.79 0.00 1.92 1.74 0.00 1.40 0.00 0.00 0.85 0.00 0.00 2.55 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.80 1.21 7.81 62 I 7.63 3.68 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 1.54 0.82 0.95 0.00 0.00 63 Q 8.28 4.15 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 64 E 8.32 4.04 0.00 1.88 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 2.32 2.35 0.00 65 S 7.93 4.54 0.00 4.08 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 0.00 66 V 7.82 3.75 2.22 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 0.84 0.00 0.00 1.02 0.00 0.00 67 G 8.02 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.48 4.56 0.00 3.85 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 69 D 8.06 4.71 0.00 2.69 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 70 Y 7.29 4.76 0.00 3.04 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 71 E 9.32 4.31 0.00 1.88 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 0.00 2.36 2.44 0.00 72 G 7.69 4.19 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 73 I 8.82 5.17 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.72 0.93 0.00 0.00 74 I 8.67 4.90 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.81 1.00 0.00 0.00 75 I 9.08 5.08 1.92 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 1.24 1.38 1.00 0.00 0.00 76 N 9.13 5.34 0.00 2.85 2.98 0.00 0.00 7.10 7.73 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 77 P 0.00 4.56 0.00 2.41 2.21 0.00 3.81 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.14 0.00 78 G 8.80 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.25 4.10 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 80 F 7.78 4.89 0.00 3.31 3.01 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 0.00 81 S 8.32 4.49 0.00 3.60 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 82 H 7.95 4.89 0.00 3.31 3.51 0.00 5.55 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 7.99 4.72 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 84 S 8.32 4.45 0.00 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 0.00 85 I 7.70 3.37 1.65 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 0.64 -0.36 0.73 0.00 0.00 86 A 7.87 3.93 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 87 I 8.03 3.68 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.56 0.98 0.00 0.00 88 A 7.95 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.56 4.26 0.00 2.79 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 90 A 7.83 4.01 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 91 I 8.18 3.82 2.05 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 1.55 0.99 0.94 0.00 0.00 92 M 8.00 4.19 0.00 2.01 2.22 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 2.65 2.56 0.00 93 L 7.75 4.49 0.00 1.93 1.88 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.97 3.98 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 95 G 7.38 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 0.00 0.00 0.00 96 K 7.44 4.44 0.00 2.03 1.77 0.00 1.63 0.00 0.00 1.90 0.00 0.00 3.27 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.44 7.81 97 P 0.00 4.37 0.00 2.11 2.04 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 98 V 8.50 4.89 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 1.04 0.00 0.00 0.99 0.00 0.00 99 I 8.84 4.90 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.52 0.88 0.00 0.00 100 E 8.90 4.92 0.00 2.06 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 2.12 2.31 0.00 101 V 8.83 4.78 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 0.10 0.00 0.00 0.64 0.00 0.00 102 H 9.19 5.02 0.00 3.08 3.14 0.00 5.68 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 9.10 4.17 0.00 1.77 1.83 1.15 0.89 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 0.00 104 T 7.72 4.34 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 0.78 0.00 0.00 105 N 8.15 4.46 0.00 2.58 2.64 0.00 0.00 6.64 8.17 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 0.00 106 I 7.92 3.97 1.97 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.56 0.84 0.00 0.00 107 Q 7.83 3.93 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.34 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 108 A 8.12 4.55 1.14 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 0.00 0.00 109 R 7.24 4.74 0.00 1.58 1.67 0.00 3.06 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.61 0.00 110 E 8.22 3.77 0.00 1.16 1.13 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 2.18 2.15 0.00 111 E 8.69 3.79 0.00 1.98 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 2.38 2.37 0.00 112 F 7.75 4.46 0.00 3.10 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 0.00 113 R 6.97 3.86 0.00 1.63 1.76 0.00 3.08 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.14 0.00 114 K 7.73 4.22 0.00 1.69 1.79 0.00 1.60 0.00 0.00 1.41 0.00 0.00 3.12 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.49 1.37 7.81 115 N 7.99 4.18 0.00 2.67 2.57 0.00 0.00 6.55 7.63 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 0.00 116 S 8.23 4.73 0.00 3.89 3.70 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 0.00 117 Y 8.32 4.28 0.00 3.16 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 0.00 118 T 8.21 4.08 4.32 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 1.33 0.00 0.00 119 G 8.28 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 0.00 120 A 7.97 4.16 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 0.00 121 A 7.56 4.18 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 0.00 122 C 7.04 4.45 0.00 3.09 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 0.00 123 G 8.42 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 0.00 124 G 7.70 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 0.00 0.00 0.00 0.00 125 V 8.21 5.13 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 0.95 0.00 0.00 0.95 0.00 0.00 126 I 9.05 4.87 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.49 0.99 0.00 0.00 127 M 8.81 5.08 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 128 G 9.08 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 0.00 129 F 8.08 4.68 0.00 2.98 3.01 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 0.00 130 G 8.10 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 P 0.00 4.54 0.00 2.24 2.15 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 132 L 8.29 4.08 0.00 1.79 2.01 0.86 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.33 3.72 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 0.00 134 Y 8.25 4.02 0.00 3.23 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 0.00 135 N 8.05 3.90 0.00 2.50 1.58 0.00 0.00 7.13 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 0.00 136 M 7.81 3.84 0.00 1.83 2.03 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.25 0.00 137 A 7.82 3.92 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 0.00 138 L 8.02 3.90 0.00 1.72 1.87 1.05 1.11 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 0.00 139 M 8.43 4.10 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 140 A 8.03 4.00 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 0.00 141 M 8.59 3.93 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 142 V 8.01 3.64 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 1.10 0.00 0.00 1.04 0.00 0.00 143 N 8.32 4.41 0.00 3.04 2.86 0.00 0.00 7.06 6.88 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 0.00 144 I 8.13 3.79 2.05 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.63 0.92 0.00 0.00 145 L 8.45 3.94 0.00 1.68 1.74 0.95 0.79 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 0.00 146 A 8.24 4.00 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 0.00 147 E 8.31 3.97 0.00 2.25 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 2.29 2.36 0.00 148 M 8.06 4.16 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.62 0.00 149 K 8.04 4.12 0.00 1.77 1.88 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.64 7.81 150 A 8.19 4.31 1.44 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 0.00 0.00 0.00 151 F 7.86 4.34 0.00 2.98 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 7.59 3.91 0.00 2.08 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 153 E 7.60 4.21 0.00 2.14 1.83 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 2.33 2.31 0.00