NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 Q 4.3688 8.3293 119.6885 56.1614 30.5641 174.4383 6 T 4.7753 8.2395 113.9507 59.8885 71.8988 171.2574 7 M 4.7024 9.3005 123.6771 54.1963 34.7213 178.0495 8 K 4.1498 8.9045 125.7884 55.7955 33.5410 176.9114 9 G 3.7429 8.3602 109.6166 46.8404 0.0000 174.5229 10 L 4.4938 7.5285 117.8977 53.1800 43.6474 175.5737 11 D 4.6233 8.5890 128.0546 53.0465 40.0478 176.7016 12 I 3.9141 8.2935 127.6471 63.3042 38.2824 177.6802 13 Q 4.0848 7.8994 118.2338 57.9204 28.5699 176.7976 14 K 4.1989 7.7083 115.6258 56.2372 32.6381 177.3833 15 V 4.3065 7.4701 111.7391 61.9361 32.1166 176.4664 16 A 4.0927 7.9671 122.6219 53.3613 18.7129 175.9220 17 G 3.7969 8.1784 106.2477 43.4014 0.0000 172.8843 18 T 4.3659 8.1209 113.9396 61.8687 68.3684 173.3919 19 W 5.4636 8.4553 126.1108 55.3592 33.9234 174.0292 20 Y 4.7644 9.6849 118.3775 56.4947 41.7239 175.3751 21 S 4.8180 8.9477 119.8626 58.2059 62.9172 173.6951 22 L 4.5358 9.1488 127.8632 56.9403 43.1697 176.1562 23 A 5.5811 7.9159 119.2607 50.4153 22.9201 174.4421 24 M 5.4507 9.3702 118.8871 53.7327 36.3726 174.4644 25 A 5.4656 9.3210 124.5613 50.4756 23.0901 174.6268 26 A 5.1287 8.5003 119.5305 50.7447 22.7820 177.9539 27 S 4.6417 8.8422 115.2553 59.6488 64.6917 173.4849 28 D 4.7811 7.8845 120.4587 51.9999 43.4174 175.9372 29 I 3.7601 8.6013 127.8557 64.5571 37.2960 178.3395 30 S 4.2174 7.9194 112.9790 60.5008 63.2180 175.3197 31 L 4.1901 7.8078 121.2210 56.7043 41.6010 177.6695 32 L 4.5443 7.7366 116.3688 55.3353 43.8026 176.6720 33 D 4.1586 8.1174 117.6077 55.6437 41.5290 174.0432 34 A 3.9030 8.6383 131.4848 51.9012 18.3397 177.7411 35 Q 4.3685 8.5214 120.1469 56.8883 29.3008 176.5074 36 S 4.6158 7.7496 109.8915 58.9343 64.0192 174.3529 37 A 4.1794 7.4246 124.8952 51.4745 19.0511 175.6094 38 P 4.4075 0.0000 0.0000 63.5986 32.2066 177.1424 39 L 3.6591 8.4346 117.3138 55.5494 39.0544 174.7625 40 R 4.3630 7.1356 117.1741 56.2764 30.3407 176.9330 41 V 4.5092 7.3157 108.4420 60.9854 33.0187 176.3329 42 Y 4.6696 8.1640 119.6589 55.7910 40.4608 174.9397 43 V 3.8624 8.3566 124.3945 64.1517 32.0404 174.2392 44 E 4.4604 9.3522 125.2805 57.3289 31.9193 175.2513 45 E 4.9037 7.8772 119.1152 54.2837 33.9576 173.3763 46 L 4.7665 8.7478 125.6683 53.2256 44.2162 175.6999 47 K 4.8363 8.7532 123.9390 53.5203 33.8137 174.3853 48 P 4.8520 0.0000 0.0000 62.4733 33.0991 175.4078 49 T 4.7625 8.9482 109.2943 58.9729 71.4529 173.3504 50 P 4.2933 0.0000 0.0000 66.3234 31.0620 176.9388 51 E 4.2101 7.5441 115.6145 56.4754 29.1714 177.4568 52 G 4.0433 8.5230 108.5935 45.0667 0.0000 173.8839 53 D 4.8465 7.8200 119.4807 53.9630 42.9377 174.8639 54 L 4.7623 8.8387 121.1675 53.4783 45.5702 174.2927 55 E 5.1968 8.9366 127.7222 54.3040 32.0240 174.2078 56 I 4.6851 9.3448 121.8484 59.1333 40.2034 174.4778 57 L 5.1967 8.2936 126.1349 53.4843 44.2212 175.5486 58 L 4.9768 8.6197 121.5864 55.5735 44.5339 173.4190 59 Q 5.1845 8.8912 117.3620 54.3002 31.7868 175.2193 60 K 4.8755 9.6783 123.2333 54.5096 36.5164 175.1173 61 W 4.3168 9.0438 135.0000 58.0176 30.5465 174.3175 62 E 4.3426 8.2185 127.4632 57.0684 30.9142 181.0087 63 N 4.6367 8.0826 124.7905 54.1521 39.9611 175.0370 64 D 4.7324 8.4737 118.5142 54.8856 41.3382 175.5674 65 E 4.1812 7.0019 117.3182 54.3422 33.3330 174.5534 66 C 4.7167 7.9576 120.9910 55.6855 40.8400 172.5240 67 A 4.3133 8.7324 126.6737 51.3342 19.6151 175.6860 68 Q 5.0170 8.5478 121.2080 54.3056 31.6332 174.6374 69 K 4.6728 9.2114 124.5750 54.5996 36.6279 175.3138 70 K 4.8982 8.2822 121.5323 55.3333 33.4358 174.6981 71 I 4.1671 9.3231 128.8814 60.5754 38.7277 174.8280 72 I 4.8089 8.3397 126.7982 59.5781 39.0798 174.9652 73 A 4.9318 9.4302 130.4396 50.2416 20.4262 174.9160 74 E 4.7766 9.4848 122.7980 56.5485 30.7685 177.5234 75 K 4.3721 10.0972 125.4905 57.3795 33.8543 176.3351 76 T 4.6271 7.5481 109.3835 60.3108 71.3822 173.2028 77 K 3.9764 8.7366 119.0241 59.4799 32.4436 177.3123 78 I 4.1941 7.3333 120.4066 59.1941 37.9046 175.1684 79 P 4.0884 0.0000 0.0000 64.8283 31.2758 177.0214 80 A 4.5546 7.7637 118.9989 51.9950 19.8343 175.7494 81 V 5.1099 6.9466 116.4778 60.9964 33.0404 175.0675 82 F 5.0921 9.4527 125.9227 55.5502 43.5970 173.5726 83 K 5.0344 9.9542 123.4017 55.3783 33.8278 175.4780 84 I 5.1104 8.2341 119.4692 58.8689 41.8622 174.7025 85 D 5.0074 8.4161 119.0068 52.7446 41.2452 174.2276 86 A 4.6721 7.3235 120.2666 51.4242 22.6023 176.6263 87 L 3.3949 9.1346 117.8041 55.4906 39.0612 174.7772 88 N 4.2408 8.2847 112.4525 54.2911 35.9109 173.8257 89 E 4.6940 7.8984 118.2623 55.2121 31.7264 176.1664 90 N 5.9766 8.2407 112.2916 52.2963 40.3894 173.8338 91 K 4.9498 8.3238 119.7406 54.7559 36.5340 175.3412 92 V 4.7487 9.0584 123.8539 61.3240 34.5331 173.9496 93 L 5.1124 8.5083 128.6810 53.3306 43.8210 175.9206 94 V 4.2482 9.6631 125.7937 62.3206 32.0998 176.2650 95 L 4.1866 9.0384 129.1537 57.0173 41.9331 176.7608 96 D 4.6402 7.3991 115.8633 53.9713 44.6381 173.6274 97 T 3.5915 7.7787 113.9869 61.5529 69.8318 172.4806 98 D 4.3415 6.9147 126.1863 52.7276 40.2340 176.9861 99 Y 4.3776 7.6416 121.5545 58.7228 37.3396 170.6339 100 K 4.2119 8.3453 117.3003 57.9881 32.8538 176.7626 101 K 4.6770 9.0015 116.1671 57.2000 34.1182 175.8512 102 Y 6.3000 8.1669 116.4532 54.3472 42.1685 173.3018 103 L 4.6672 8.2428 121.0551 53.3428 46.0079 174.6073 104 L 5.2818 9.6223 127.4604 53.1468 43.7246 175.5296 105 F 5.5518 8.7549 118.5085 55.4760 41.9330 172.7359 106 C 5.2633 9.1256 115.6762 55.4873 43.1704 172.9272 107 M 5.3566 9.2299 120.1567 53.8509 35.3825 174.7979 108 E 5.0142 8.6481 118.7151 55.9965 33.8658 173.4201 109 N 5.1886 8.4924 121.9294 51.9890 39.8534 175.6849 110 S 4.1135 9.3813 122.4957 61.3986 63.2598 175.7848 111 A 4.1467 8.4976 123.6904 54.9341 17.5638 177.8799 112 E 4.7469 8.2665 116.4458 54.0942 30.9951 173.1558 113 P 4.3472 0.0000 0.0000 65.1861 32.1464 178.3137 114 E 3.8730 7.6669 114.4243 59.1886 29.4464 177.5797 115 Q 4.6638 8.4643 114.3753 54.9206 28.7358 176.1027 116 S 4.6730 8.1197 111.3835 57.3086 65.0540 173.9160 117 L 4.3642 8.0811 124.3712 55.6228 42.9425 175.8541 118 V 4.9075 9.1047 126.1706 60.1569 34.6005 173.8993 119 C 5.2341 9.2005 121.5963 55.0681 39.9985 173.0224 120 Q 5.0057 8.4619 121.4650 54.1221 32.4109 173.8906 121 C 4.2892 7.9567 122.7073 57.7623 33.3809 172.3676 122 L 5.4607 8.5605 126.2196 53.3714 44.1455 175.9911 123 V 5.7567 9.2539 114.7086 58.8615 35.4691 177.0454 124 R 3.7439 9.1070 123.0246 57.9364 30.4463 177.0997 125 T 4.5469 7.6883 106.9899 58.9457 71.5232 172.2724 126 P 3.9957 0.0000 0.0000 62.7716 31.0921 175.7493 127 E 4.7169 7.4568 116.0262 54.9344 33.4029 176.4559 128 V 3.6515 8.4151 122.2236 63.4119 32.1361 175.5034 129 D 4.7502 8.3731 125.4857 51.2447 41.7097 174.9061 130 D 4.4327 8.5925 125.8384 57.1249 40.8674 177.8648 131 E 3.9037 7.6673 115.6412 59.4703 29.3522 179.4100 132 A 3.6708 8.6462 120.6302 55.0713 18.7960 179.7219 133 L 3.6529 7.9269 116.9282 57.6671 41.5017 179.3042 134 E 3.9098 8.5809 119.9092 59.4411 29.6960 179.1343 135 K 3.9947 7.9808 118.3398 58.9620 31.9741 179.1539 136 F 4.4909 9.1162 122.4923 61.3750 39.0162 176.9018 137 D 4.1840 7.9263 117.6746 57.3110 40.7821 178.7404 138 K 4.0674 7.8173 119.0717 59.7961 32.3026 179.0325 139 A 4.0832 7.8012 121.4482 54.7041 18.5730 178.9541 140 L 4.0502 7.9970 116.5808 55.9405 41.6131 179.1777 141 K 3.7597 7.2541 117.1395 59.5181 32.2180 178.1621 142 A 4.0913 7.8528 118.8616 53.8805 18.6675 177.2640 143 L 4.3818 7.7304 117.2394 53.2094 42.5914 176.2937 144 P 4.4849 0.0000 0.0000 61.8644 29.9967 174.6557 145 M 4.4565 7.5034 121.9752 56.1178 33.1979 176.2066 146 H 4.9187 9.0750 118.9240 55.5527 30.6364 174.0041 147 I 4.7025 7.5037 118.8301 59.2723 41.6594 173.6225 148 R 5.1664 8.5457 128.1054 54.9261 32.9678 173.7604 149 L 4.9912 9.4495 125.8893 53.2498 46.0084 175.4758 150 S 5.1454 7.8243 112.9183 57.5821 65.3907 173.7621 151 F 5.0713 9.0730 121.2697 55.7335 42.0919 174.7309 152 N 4.9106 8.8470 117.7571 50.9513 39.1333 174.3200 153 P 4.3605 0.0000 0.0000 65.4477 31.7377 178.4163 154 T 4.0338 8.0090 113.6945 67.1926 68.5411 176.2738 155 Q 4.0671 9.0879 119.6880 59.0324 28.4957 179.0294 156 L 4.1129 7.6881 119.1646 56.9554 41.6817 178.5012 157 E 4.2890 7.8444 116.0866 57.0870 30.3078 176.7530 158 E 4.2613 7.0773 118.4870 55.4135 30.4088 176.3503 159 Q 4.0108 8.5489 120.7019 56.8058 29.0160 177.2930 160 C 4.3914 8.6753 119.8509 57.5035 42.0417 173.1163 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 5 Q 8.33 4.37 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.66 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 6 T 8.24 4.78 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 1.28 0.00 0.00 7 M 9.30 4.70 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 8 K 8.90 4.15 0.00 1.69 1.72 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.39 7.81 9 G 8.36 3.74 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 0.00 10 L 7.53 4.49 0.00 1.69 1.65 1.00 1.57 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 11 D 8.59 4.62 0.00 2.80 2.56 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 12 I 8.29 3.91 2.05 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.93 0.96 0.00 0.00 13 Q 7.90 4.08 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.50 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 14 K 7.71 4.20 0.00 0.79 0.74 0.00 1.67 0.00 0.00 0.86 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.98 1.07 7.81 15 V 7.47 4.31 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 0.85 0.00 0.00 0.97 0.00 0.00 16 A 7.97 4.09 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 17 G 8.18 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.12 4.37 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 19 W 8.46 5.46 0.00 3.09 3.02 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 20 Y 9.68 4.76 0.00 3.06 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 21 S 8.95 4.82 0.00 3.86 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 22 L 9.15 4.54 0.00 1.85 1.72 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.92 5.58 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 24 M 9.37 5.45 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.59 0.00 25 A 9.32 5.47 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.50 5.13 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 27 S 8.84 4.64 0.00 3.95 4.14 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 28 D 7.88 4.78 0.00 2.81 2.52 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 29 I 8.60 3.76 1.87 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 1.56 0.56 0.91 0.00 0.00 30 S 7.92 4.22 0.00 3.98 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 31 L 7.81 4.19 0.00 1.82 1.77 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.74 4.54 0.00 1.61 1.72 0.93 1.04 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 33 D 8.12 4.16 0.00 2.82 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 34 A 8.64 3.90 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 35 Q 8.52 4.37 0.00 1.90 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.32 0.00 36 S 7.75 4.62 0.00 4.10 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 37 A 7.42 4.18 1.49 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 0.00 0.00 0.00 38 P 0.00 4.41 0.00 2.24 2.20 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 39 L 8.43 3.66 0.00 1.82 1.84 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.14 4.36 0.00 1.82 1.97 0.00 3.38 0.00 0.00 3.54 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.33 0.00 41 V 7.32 4.51 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 0.85 0.00 0.00 0.92 0.00 0.00 42 Y 8.16 4.67 0.00 2.87 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 43 V 8.36 3.86 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 0.69 0.00 0.00 0.96 0.00 0.00 44 E 9.35 4.46 0.00 1.90 1.86 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 2.17 2.37 0.00 45 E 7.88 4.90 0.00 1.95 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 46 L 8.75 4.77 0.00 2.12 1.64 0.70 0.18 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 47 K 8.75 4.84 0.00 1.60 1.66 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.46 7.81 48 P 0.00 4.85 0.00 2.04 2.01 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.10 0.00 49 T 8.95 4.76 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 1.19 0.00 0.00 50 P 0.00 4.29 0.00 2.19 2.25 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 51 E 7.54 4.21 0.00 2.15 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 2.34 2.25 0.00 52 G 8.52 4.04 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 0.00 0.00 0.00 53 D 7.82 4.85 0.00 2.64 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 54 L 8.84 4.76 0.00 1.33 0.97 0.74 0.47 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 55 E 8.94 5.20 0.00 2.04 1.87 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 2.15 2.18 0.00 56 I 9.34 4.69 1.67 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.65 0.68 0.00 0.00 57 L 8.29 5.20 0.00 1.66 1.58 0.94 0.30 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 58 L 8.62 4.98 0.00 1.75 1.75 0.92 0.61 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 59 Q 8.89 5.18 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 60 K 9.68 4.88 0.00 1.66 1.60 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.38 7.81 61 W 9.04 4.32 0.00 3.61 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 62 E 8.22 4.34 0.00 2.02 1.70 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 2.25 2.32 0.00 63 N 8.08 4.64 0.00 2.70 2.52 0.00 0.00 6.91 8.49 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 64 D 8.47 4.73 0.00 2.67 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 65 E 7.00 4.18 0.00 1.70 1.56 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 2.07 1.99 0.00 66 C 7.96 4.72 0.00 3.01 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 67 A 8.73 4.31 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 68 Q 8.55 5.02 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.52 0.00 69 K 9.21 4.67 0.00 1.65 1.66 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.34 7.81 70 K 8.28 4.90 0.00 1.68 1.65 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.44 7.81 71 I 9.32 4.17 1.83 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 1.23 0.69 0.89 0.00 0.00 72 I 8.34 4.81 1.86 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 1.27 0.41 0.91 0.00 0.00 73 A 9.43 4.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 9.48 4.78 0.00 1.95 1.92 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 2.35 2.28 0.00 75 K 10.10 4.37 0.00 1.72 2.19 0.00 1.58 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.38 7.81 76 T 7.55 4.63 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 77 K 8.74 3.98 0.00 1.72 1.88 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.39 7.81 78 I 7.33 4.19 1.75 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.41 0.87 0.00 0.00 79 P 0.00 4.09 0.00 2.03 2.11 0.00 3.61 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 2.01 2.05 0.00 80 A 7.76 4.55 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 81 V 6.95 5.11 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 0.77 0.00 0.00 0.89 0.00 0.00 82 F 9.45 5.09 0.00 2.95 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 83 K 9.95 5.03 0.00 1.94 1.70 0.00 1.61 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.54 7.81 84 I 8.23 5.11 1.89 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 1.17 0.97 0.99 0.00 0.00 85 D 8.42 5.01 0.00 2.59 2.60 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 86 A 7.32 4.67 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 L 9.13 3.39 0.00 1.83 1.80 0.93 1.04 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 88 N 8.28 4.24 0.00 2.89 2.93 0.00 0.00 7.00 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 89 E 7.90 4.69 0.00 2.13 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 90 N 8.24 5.98 0.00 2.80 2.98 0.00 0.00 6.50 6.53 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 91 K 8.32 4.95 0.00 1.83 1.73 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.51 7.81 92 V 9.06 4.75 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.02 0.00 0.00 93 L 8.51 5.11 0.00 1.67 1.63 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 94 V 9.66 4.25 2.24 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 0.99 0.00 0.00 1.28 0.00 0.00 95 L 9.04 4.19 0.00 1.86 1.78 1.04 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 96 D 7.40 4.64 0.00 2.85 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 97 T 7.78 3.59 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 0.78 0.00 0.00 98 D 6.91 4.34 0.00 2.79 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 7.64 4.38 0.00 3.27 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 0.00 100 K 8.35 4.21 0.00 1.79 1.88 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.73 7.81 101 K 9.00 4.68 0.00 2.31 2.02 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.42 1.45 7.81 102 Y 8.17 6.30 0.00 3.09 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 0.00 103 L 8.24 4.67 0.00 0.88 0.43 0.58 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 104 L 9.62 5.28 0.00 1.67 1.74 1.17 0.88 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 0.00 105 F 8.75 5.55 0.00 3.08 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 0.00 106 C 9.13 5.26 0.00 2.87 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 0.00 107 M 9.23 5.36 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.58 0.00 108 E 8.65 5.01 0.00 1.97 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 2.22 2.10 0.00 109 N 8.49 5.19 0.00 2.98 2.74 0.00 0.00 6.89 7.86 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 0.00 110 S 9.38 4.11 0.00 4.00 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 0.00 111 A 8.50 4.15 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 0.00 112 E 8.27 4.75 0.00 1.94 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.43 0.00 113 P 0.00 4.35 0.00 2.21 2.56 0.00 3.67 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 2.12 2.22 0.00 114 E 7.67 3.87 0.00 2.14 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 2.33 2.30 0.00 115 Q 8.46 4.66 0.00 2.45 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.49 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 116 S 8.12 4.67 0.00 3.97 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 0.00 117 L 8.08 4.36 0.00 1.91 1.60 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 118 V 9.10 4.91 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 0.73 0.00 0.00 1.00 0.00 0.00 119 C 9.20 5.23 0.00 2.97 3.11 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 0.00 120 Q 8.46 5.01 0.00 1.54 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.21 2.02 0.00 121 C 7.96 4.29 0.00 1.63 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 0.00 0.00 0.00 0.00 122 L 8.56 5.46 0.00 1.42 1.63 0.39 0.92 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 0.00 123 V 9.25 5.76 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 1.35 0.00 0.00 1.25 0.00 0.00 124 R 9.11 3.74 0.00 1.47 1.65 0.00 2.46 0.00 0.00 2.25 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.15 0.00 125 T 7.69 4.55 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 1.17 0.00 0.00 126 P 0.00 4.00 0.00 1.86 1.07 0.00 3.36 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.60 0.00 127 E 7.46 4.72 0.00 1.88 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 2.11 2.13 0.00 128 V 8.42 3.65 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 0.81 0.00 0.00 0.96 0.00 0.00 129 D 8.37 4.75 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 8.59 4.43 0.00 2.73 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 0.00 131 E 7.67 3.90 0.00 2.29 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 2.33 2.35 0.00 132 A 8.65 3.67 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 0.00 133 L 7.93 3.65 0.00 1.79 1.83 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.58 3.91 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 135 K 7.98 3.99 0.00 1.53 1.74 0.00 1.42 0.00 0.00 0.72 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.31 7.81 136 F 9.12 4.49 0.00 3.11 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 0.00 137 D 7.93 4.18 0.00 2.91 2.67 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 0.00 138 K 7.82 4.07 0.00 1.93 2.05 0.00 1.30 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.57 7.81 139 A 7.80 4.08 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 0.00 140 L 8.00 4.05 0.00 1.40 1.42 0.59 -0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 141 K 7.25 3.76 0.00 1.93 1.84 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.41 7.81 142 A 7.85 4.09 1.25 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 0.00 0.00 143 L 7.73 4.38 0.00 1.70 1.54 0.88 0.87 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 0.00 144 P 0.00 4.48 0.00 2.17 2.17 0.00 3.65 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 2.04 1.96 0.00 145 M 7.50 4.46 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 146 H 9.08 4.92 0.00 3.02 3.29 0.00 5.80 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.50 4.70 1.88 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 1.25 1.47 1.05 0.00 0.00 148 R 8.55 5.17 0.00 1.77 1.72 0.00 3.14 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 149 L 9.45 4.99 0.00 1.57 1.05 1.03 0.70 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 0.00 150 S 7.82 5.15 0.00 3.88 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 0.00 151 F 9.07 5.07 0.00 2.92 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 N 8.85 4.91 0.00 3.00 2.95 0.00 0.00 7.25 7.04 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 0.00 153 P 0.00 4.36 0.00 2.02 2.24 0.00 3.77 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 154 T 8.01 4.03 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 155 Q 9.09 4.07 0.00 2.46 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 156 L 7.69 4.11 0.00 1.77 1.67 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 157 E 7.84 4.29 0.00 2.16 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 2.56 0.00 158 E 7.08 4.26 0.00 2.15 1.92 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 2.34 2.34 0.00 159 Q 8.55 4.01 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.20 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 160 C 8.68 4.39 0.00 3.45 3.63 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