NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.1765 8.1631 110.9440 61.5960 70.7455 170.9344 4 G 4.5906 8.3772 116.5002 44.9555 0.0000 169.9223 5 G 3.7112 8.6975 117.8745 46.4771 0.0000 171.6121 6 M 4.1460 8.0556 118.7514 54.1069 33.7764 176.2175 7 A 4.2599 8.2705 127.8903 52.0215 19.5201 177.2785 8 S 4.4121 9.6760 115.7649 57.4412 63.0890 175.7290 9 K 3.8280 8.3054 124.3533 58.6712 32.4157 177.4952 10 W 4.8812 7.6769 118.4767 56.7201 29.9663 177.5417 11 D 4.7746 8.1574 122.0375 57.0156 40.2044 178.4162 12 Q 3.9586 8.0202 119.6406 58.7857 29.1510 177.7915 13 K 4.0007 8.0922 120.4334 59.4858 32.3489 178.8284 14 G 2.2482 7.7937 106.0562 47.5949 0.0000 175.3915 15 M 4.1700 7.7226 120.7319 58.2797 32.2465 178.0842 16 D 4.4415 8.1915 119.3030 57.2949 40.9065 178.7974 17 I 3.7289 7.8013 120.2452 64.2117 37.1122 178.2441 18 A 4.1035 8.0783 121.6877 55.4882 18.1652 179.1176 19 Y 4.1909 8.3650 118.1473 60.6528 38.8497 177.6500 20 E 3.6709 8.2417 120.4085 59.2672 29.5823 178.7238 21 E 3.9234 8.4184 118.5034 59.2383 29.4653 179.1868 22 A 3.9702 7.9971 120.8567 55.1124 18.4692 179.6707 23 L 3.8040 7.7902 117.6438 57.6292 41.6468 179.4719 24 L 3.9565 7.9207 120.3601 58.1798 41.9756 179.2213 25 G 3.5852 7.9859 105.8317 47.9619 0.0000 174.9209 26 Y 4.2360 8.1723 121.8471 60.5365 38.5976 178.3471 27 K 3.9244 7.9553 118.3637 59.1884 32.2283 178.3637 28 E 4.2864 7.7847 116.1566 56.4636 29.5099 177.4623 29 G 3.6759 7.8343 107.5518 45.5770 0.0000 173.5445 30 G 4.1374 7.6806 109.3734 42.9232 0.0000 173.5298 31 V 2.5855 8.2282 119.4556 61.7948 32.1534 175.7083 32 P 4.7077 0.0000 0.0000 62.2443 29.7720 175.4541 33 I 4.5338 7.4258 120.9322 60.1826 41.2642 176.1499 34 G 4.4063 8.7832 113.4158 44.5912 0.0000 170.7641 35 G 4.5641 8.6838 105.8267 46.8240 0.0000 171.8915 36 C 5.2571 8.4884 112.8812 57.3419 33.4825 172.6368 37 L 5.2772 8.8934 122.4090 53.4802 44.1790 175.0519 38 I 4.9363 8.6798 126.7528 59.2735 40.8385 174.3521 39 N 4.6895 8.8510 125.7218 53.4261 39.0984 175.6253 40 N 4.5148 9.0235 124.7055 56.4037 38.8073 177.2667 41 K 4.2027 8.9392 118.8179 59.0396 32.1203 177.6126 42 D 4.7881 7.7433 113.1414 52.2478 40.3453 176.4876 43 G 2.0000 7.6292 108.2574 44.6089 0.0000 173.9587 44 S 4.0183 7.8222 115.4101 58.0381 64.3399 173.8552 45 V 4.2293 8.0961 123.1438 62.1528 30.7876 175.5667 46 L 4.1046 9.1222 130.2677 57.1707 42.7307 177.3645 47 G 4.0873 7.7672 104.1428 46.1316 0.0000 172.4472 48 R 5.1235 8.1952 115.6886 55.1449 32.6302 174.1377 49 G 4.2506 8.6153 107.1834 44.4985 0.0000 171.1115 50 H 5.4482 8.4281 114.7191 53.4026 32.1726 172.6425 51 N 4.4998 8.7067 117.6701 54.3366 39.2502 174.4300 52 M 4.9760 8.8499 124.2369 54.2870 33.4136 177.7194 53 R 4.6702 8.9086 121.4491 59.0794 30.2573 178.9128 54 F 4.1788 8.2824 114.3516 60.2521 39.3916 177.1137 55 Q 4.2640 8.3371 119.5895 58.2489 28.7058 177.5081 56 K 4.5641 7.9583 114.6391 55.7397 33.6064 176.2437 57 G 3.8697 8.1179 105.0258 47.1722 0.0000 173.9542 58 S 4.5470 7.7814 112.1802 56.4020 63.8295 173.9640 59 A 4.4499 8.5152 129.4644 52.7089 19.1909 177.2608 60 T 4.4385 7.5496 103.6364 61.4118 71.2649 175.1521 61 L 4.3286 7.9182 124.8005 54.2769 39.9598 175.6948 62 H 5.0576 7.8277 119.7106 54.7352 31.4429 176.0265 63 G 3.8463 8.7157 108.4506 48.5048 0.0000 175.7326 64 E 4.0694 8.1964 120.4598 59.1680 29.5338 179.4015 65 I 3.7936 7.7509 119.4375 64.3637 37.2221 178.2373 66 S 4.1155 8.6784 114.4209 61.5544 61.9643 176.2846 67 T 3.8819 7.8524 117.4539 66.8140 68.6959 176.2614 68 L 4.1673 8.0042 120.7754 57.7487 41.6559 179.1933 69 E 3.9994 8.6481 119.7469 59.3461 29.3964 178.3482 70 N 4.5639 8.2102 114.7224 55.4017 38.7182 176.5601 71 C 4.5058 7.2306 118.8332 59.7256 28.5939 174.4421 72 G 3.8423 7.7988 107.9568 44.2086 0.0000 172.7598 73 R 4.1546 8.3171 117.8206 56.0505 30.3498 176.4598 74 L 4.8187 8.1680 121.7764 52.3385 45.8444 176.3015 75 E 4.1949 8.4896 120.4691 56.1611 30.3014 178.4223 76 G 4.0598 9.0487 109.2847 48.1692 0.0000 176.0798 77 K 4.1597 8.1549 120.3778 59.6255 32.2502 179.2192 78 V 3.4887 7.6320 119.2482 66.2447 30.8980 177.6461 79 Y 4.1227 7.4915 114.8090 60.8471 37.4367 178.5217 80 K 4.2942 7.7600 118.6377 58.3608 33.2463 176.1001 81 D 5.1270 8.0659 118.9318 53.7479 40.3227 173.6531 82 T 5.3036 7.7828 108.6589 60.3586 73.8603 173.8656 83 T 4.8503 8.7776 117.3970 61.6402 72.3925 172.9386 84 L 4.9512 8.7040 128.7098 53.8545 44.0651 174.4248 85 Y 5.1427 9.1570 124.6455 56.7255 40.3139 174.7360 86 T 5.1342 8.8939 118.0296 60.5541 70.4264 174.6935 87 T 4.1829 9.0522 118.2117 63.8148 70.0185 173.7832 88 L 5.0835 7.6444 123.0027 52.7342 45.4671 176.0016 89 S 4.3422 8.8626 120.4552 58.0822 62.7037 172.4628 90 P 4.6868 0.0000 0.0000 62.5420 31.6605 176.5969 91 C 4.8735 8.6706 116.5816 57.8360 32.4551 174.1167 92 D 4.4090 8.6799 119.1901 57.5452 40.1828 178.7597 93 M 3.9865 7.9684 118.3872 59.0185 32.5338 178.0152 94 C 4.2725 8.1263 116.3212 62.9774 28.3025 176.1326 95 T 4.0230 8.3056 117.8249 66.5888 67.9857 176.9522 96 G 3.6827 8.1756 107.4822 47.6065 0.0000 175.6858 97 A 3.9731 7.9730 123.0656 55.0656 18.5597 179.7449 98 I 3.6798 7.7062 118.2603 64.5504 37.2288 178.8085 99 I 3.6535 7.7581 120.5260 64.5029 36.7392 178.0429 100 M 3.8878 7.9937 118.0183 58.8874 32.1684 177.3483 101 Y 4.2706 7.6586 113.7340 57.8238 38.1894 176.0437 102 G 3.8464 7.7367 107.3848 46.3281 0.0000 173.9959 103 I 4.2193 7.9157 120.5116 59.6918 36.7463 174.1516 104 P 4.4611 0.0000 0.0000 65.2249 32.1205 176.4716 105 R 5.1435 7.8632 117.8074 54.1421 34.1453 174.5987 106 C 4.9560 8.9601 122.4267 57.7389 34.8925 172.5807 107 V 4.6711 8.3888 127.2230 61.3656 33.1200 174.3800 108 V 4.7889 9.2422 129.3396 61.2735 33.3244 176.5587 109 G 3.7869 9.3857 116.5143 49.0552 0.0000 172.9783 110 E 5.2080 7.8928 116.3866 54.7366 33.3246 174.9748 111 N 5.5762 8.4431 115.8684 51.7291 38.2981 175.8689 112 V 3.9083 8.3665 119.9033 66.3950 32.0700 176.9934 113 N 4.6074 8.7617 116.1912 55.7135 38.8239 175.1560 114 F 4.9890 7.8048 117.9490 57.2088 42.3437 172.5927 115 K 4.0879 7.2084 125.5957 55.4515 34.5289 174.7164 116 S 4.5691 7.7880 120.4634 56.1201 65.7614 174.4711 117 K 4.2936 8.3567 118.0450 58.2041 31.5707 179.4516 118 G 4.0293 8.1067 108.5038 46.9642 0.0000 175.4353 119 E 3.9488 7.8723 120.5569 59.2550 29.5929 178.9293 120 K 3.8752 8.0003 119.1043 59.4703 32.3510 177.9175 121 Y 4.2711 8.1699 119.9739 60.6925 38.5372 178.1094 122 L 3.8504 8.1974 120.0427 57.9477 41.7472 179.5860 123 Q 4.2738 7.4807 118.9336 58.7360 28.4243 178.7846 124 T 3.9280 7.8528 116.0691 66.3919 68.5187 175.9023 125 R 4.2360 7.5781 117.3896 55.9502 30.1594 177.3578 126 G 3.8634 7.9573 107.1742 45.4869 0.0000 173.4825 127 H 4.7848 8.3181 117.1788 54.6905 31.0442 173.7229 128 E 4.5874 9.0138 122.4889 55.0279 31.2072 174.8545 129 V 4.8959 8.3975 126.2093 61.0335 34.2625 174.4886 130 V 4.3604 8.7078 127.3167 61.1117 34.2360 174.0948 131 V 4.5217 8.3873 128.2829 61.4642 31.8763 175.4694 132 V 3.6234 9.0706 130.0002 63.0806 32.0337 175.4532 133 D 4.2422 7.7937 117.2703 55.0119 38.9232 173.7650 134 D 4.4794 8.6478 120.5135 53.7199 41.7056 176.5134 135 E 4.0237 8.6826 127.3262 59.1639 29.5518 179.5128 136 R 3.7505 8.0428 118.5799 59.2516 29.9468 178.8174 137 C 4.2104 7.8384 115.9688 62.6353 28.2729 175.7572 138 K 4.3707 7.8054 122.5318 59.0215 31.7476 178.9690 139 K 3.9551 8.2811 118.9513 59.2415 31.9264 179.1770 140 L 3.7416 7.7778 120.3062 58.3108 42.0637 178.7445 141 M 3.8980 8.1332 118.2971 58.3902 32.0611 178.0759 142 K 3.8906 8.1072 119.9027 59.3481 32.3307 178.5665 143 Q 3.8997 8.0249 119.9420 59.1402 28.9691 178.0606 144 F 4.4360 7.8705 122.5521 60.9225 39.2212 177.1406 145 I 3.7734 7.6890 118.3445 64.3914 36.9184 177.8411 146 D 4.4781 8.1220 119.3160 57.2467 40.4589 178.1920 147 E 4.1948 8.1538 117.7394 57.7454 31.2772 176.7246 148 R 4.6238 7.9277 118.0889 52.8185 31.0010 173.9109 149 P 4.3126 0.0000 0.0000 66.5230 31.5030 178.3965 150 Q 3.8570 7.8842 117.1807 58.6068 28.4010 178.4021 151 D 4.7191 8.0467 118.8398 56.9285 41.3685 178.1385 152 W 5.0331 8.4858 128.8026 60.8941 30.8546 177.8504 153 F 3.8652 8.7686 117.9641 60.7159 38.3497 177.2690 154 E 3.9949 8.4624 118.7219 59.4022 29.2056 178.3930 155 D 4.5121 8.0235 116.6839 55.9765 41.2044 176.5931 156 I 4.1303 6.8179 111.3115 60.0103 37.7905 175.5766 157 G 3.8722 7.7317 106.5719 47.1445 0.0000 174.4031 158 E 4.0566 8.2979 124.8732 56.1159 29.4660 176.1687 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 T 8.16 4.18 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 4 G 8.38 4.59 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 5 G 8.70 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 6 M 8.06 4.15 0.00 1.98 1.96 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 2.56 2.51 0.00 7 A 8.27 4.26 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 8 S 9.68 4.41 0.00 3.93 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 9 K 8.31 3.83 0.00 1.19 1.53 0.00 1.28 0.00 0.00 1.44 0.00 0.00 2.13 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.77 0.21 7.81 10 W 7.68 4.88 0.00 3.59 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.16 4.77 0.00 2.89 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 12 Q 8.02 3.96 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 13 K 8.09 4.00 0.00 1.97 2.08 0.00 1.98 0.00 0.00 1.96 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.54 7.81 14 G 7.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 M 7.72 4.17 0.00 2.17 2.15 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 2.61 2.66 0.00 16 D 8.19 4.44 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 17 I 7.80 3.73 1.95 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 1.44 0.68 0.91 0.00 0.00 18 A 8.08 4.10 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.37 4.19 0.00 3.07 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 20 E 8.24 3.67 0.00 2.23 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 2.25 2.29 0.00 21 E 8.42 3.92 0.00 2.23 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 0.00 2.51 2.68 0.00 22 A 8.00 3.97 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 23 L 7.79 3.80 0.00 1.60 1.55 0.31 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.92 3.96 0.00 1.78 1.61 0.94 0.88 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 25 G 7.99 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 26 Y 8.17 4.24 0.00 3.08 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 27 K 7.96 3.92 0.00 1.91 1.82 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.82 1.61 7.81 28 E 7.78 4.29 0.00 2.10 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 2.34 2.58 0.00 29 G 7.83 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 30 G 7.68 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 0.00 0.00 0.00 31 V 8.23 2.59 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 0.74 0.00 0.00 1.23 0.00 0.00 32 P 0.00 4.71 0.00 2.08 2.07 0.00 2.66 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 33 I 7.43 4.53 1.88 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 1.21 0.76 0.95 0.00 0.00 34 G 8.78 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.68 4.56 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 36 C 8.49 5.26 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 37 L 8.89 5.28 0.00 1.80 1.56 1.02 1.38 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 38 I 8.68 4.94 2.20 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 1.10 0.70 0.81 0.00 0.00 39 N 8.85 4.69 0.00 2.64 2.67 0.00 0.00 7.08 7.33 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 40 N 9.02 4.51 0.00 2.92 3.00 0.00 0.00 7.11 7.13 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 41 K 8.94 4.20 0.00 1.81 1.89 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.58 7.81 42 D 7.74 4.79 0.00 2.62 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 43 G 7.63 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 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.82 4.02 0.00 3.78 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 45 V 8.10 4.23 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 0.81 0.00 0.00 0.86 0.00 0.00 46 L 9.12 4.10 0.00 1.69 1.60 0.78 0.83 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 47 G 7.77 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 48 R 8.20 5.12 0.00 1.80 1.88 0.00 3.08 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 49 G 8.62 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 0.00 0.00 0.00 50 H 8.43 5.45 0.00 3.22 3.32 0.00 5.55 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.71 4.50 0.00 2.82 3.03 0.00 0.00 7.01 7.38 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 52 M 8.85 4.98 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.72 0.00 53 R 8.91 4.67 0.00 1.80 2.09 0.00 3.08 0.00 0.00 3.26 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.40 0.00 54 F 8.28 4.18 0.00 3.14 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.34 4.26 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.94 0.00 0.00 0.00 0.00 0.00 2.63 2.49 0.00 56 K 7.96 4.56 0.00 1.81 1.81 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.60 1.35 7.81 57 G 8.12 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 0.00 0.00 0.00 58 S 7.78 4.55 0.00 3.88 3.85 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 59 A 8.52 4.45 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 60 T 7.55 4.44 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 61 L 7.92 4.33 0.00 1.73 1.68 0.92 1.26 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 62 H 7.83 5.06 0.00 3.20 3.24 0.00 5.66 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 63 G 8.72 3.85 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 0.00 0.00 0.00 64 E 8.20 4.07 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 65 I 7.75 3.79 2.16 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 1.57 1.09 0.96 0.00 0.00 66 S 8.68 4.12 0.00 3.90 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 67 T 7.85 3.88 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 1.25 0.00 0.00 68 L 8.00 4.17 0.00 1.91 1.74 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.65 4.00 0.00 2.19 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 0.00 2.32 2.41 0.00 70 N 8.21 4.56 0.00 2.88 2.86 0.00 0.00 7.10 7.20 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 71 C 7.23 4.51 0.00 3.13 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.80 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 0.00 0.00 0.00 73 R 8.32 4.15 0.00 1.83 1.93 0.00 3.18 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 74 L 8.17 4.82 0.00 1.10 1.14 0.43 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.49 4.19 0.00 1.97 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 2.40 2.25 0.00 76 G 9.05 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 0.00 0.00 0.00 77 K 8.15 4.16 0.00 2.06 2.12 0.00 1.41 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.56 7.81 78 V 7.63 3.49 1.77 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 0.77 0.00 0.00 0.84 0.00 0.00 79 Y 7.49 4.12 0.00 3.33 2.97 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 80 K 7.76 4.29 0.00 1.86 1.93 0.00 1.71 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.75 1.66 7.81 81 D 8.07 5.13 0.00 2.75 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 82 T 7.78 5.30 4.35 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 1.21 0.00 0.00 83 T 8.78 4.85 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 0.40 0.00 0.00 84 L 8.70 4.95 0.00 1.76 1.49 1.04 1.06 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 85 Y 9.16 5.14 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 86 T 8.89 5.13 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 1.40 0.00 0.00 87 T 9.05 4.18 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 1.40 0.00 0.00 88 L 7.64 5.08 0.00 1.64 1.60 1.17 0.80 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 89 S 8.86 4.34 0.00 4.00 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 90 P 0.00 4.69 0.00 2.31 2.14 0.00 3.50 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 91 C 8.67 4.87 0.00 3.40 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 92 D 8.68 4.41 0.00 2.80 2.76 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 93 M 7.97 3.99 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.62 0.00 94 C 8.13 4.27 0.00 3.11 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 95 T 8.31 4.02 4.53 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 1.39 0.00 0.00 96 G 8.18 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 97 A 7.97 3.97 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 98 I 7.71 3.68 1.98 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 1.28 0.82 0.00 0.00 99 I 7.76 3.65 1.99 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.94 0.87 0.00 0.00 100 M 7.99 3.89 0.00 1.66 2.02 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 101 Y 7.66 4.27 0.00 2.86 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 0.00 0.00 0.00 0.00 102 G 7.74 3.85 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 0.00 0.00 0.00 103 I 7.92 4.22 1.93 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 1.16 1.30 0.95 0.00 0.00 104 P 0.00 4.46 0.00 2.12 2.33 0.00 3.87 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 105 R 7.86 5.14 0.00 1.58 1.75 0.00 3.16 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 106 C 8.96 4.96 0.00 2.92 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 0.00 107 V 8.39 4.67 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 1.04 0.00 0.00 0.86 0.00 0.00 108 V 9.24 4.79 2.12 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 0.93 0.00 0.00 0.97 0.00 0.00 109 G 9.39 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 0.00 110 E 7.89 5.21 0.00 2.11 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 2.18 2.47 0.00 111 N 8.44 5.58 0.00 2.76 2.96 0.00 0.00 6.32 7.68 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 0.00 112 V 8.37 3.91 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 0.94 0.00 0.00 113 N 8.76 4.61 0.00 2.83 2.77 0.00 0.00 6.83 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 F 7.80 4.99 0.00 3.49 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 0.00 115 K 7.21 4.09 0.00 1.76 1.45 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.18 1.31 7.81 116 S 7.79 4.57 0.00 3.98 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 0.00 117 K 8.36 4.29 0.00 1.76 1.84 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.45 7.81 118 G 8.11 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 7.87 3.95 0.00 2.08 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 2.32 2.34 0.00 120 K 8.00 3.88 0.00 1.93 1.82 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.60 7.81 121 Y 8.17 4.27 0.00 3.18 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 0.00 122 L 8.20 3.85 0.00 1.93 1.68 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 7.48 4.27 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.26 0.00 124 T 7.85 3.93 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 1.24 0.00 0.00 125 R 7.58 4.24 0.00 1.70 1.80 0.00 3.11 0.00 0.00 2.88 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.95 0.00 126 G 7.96 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 8.32 4.78 0.00 3.18 3.20 0.00 5.61 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 9.01 4.59 0.00 2.03 1.81 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 2.25 2.25 0.00 129 V 8.40 4.90 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 0.85 0.00 0.00 0.99 0.00 0.00 130 V 8.71 4.36 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 0.92 0.00 0.00 0.94 0.00 0.00 131 V 8.39 4.52 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 0.84 0.00 0.00 0.95 0.00 0.00 132 V 9.07 3.62 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 0.76 0.00 0.00 1.03 0.00 0.00 133 D 7.79 4.24 0.00 2.84 2.69 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 0.00 0.00 0.00 134 D 8.65 4.48 0.00 2.63 2.48 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 0.00 135 E 8.68 4.02 0.00 1.95 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 0.00 2.36 2.31 0.00 136 R 8.04 3.75 0.00 1.20 0.92 0.00 2.70 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.42 0.00 137 C 7.84 4.21 0.00 3.08 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 7.81 4.37 0.00 1.91 1.91 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.33 7.81 139 K 8.28 3.96 0.00 1.84 1.81 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.55 7.81 140 L 7.78 3.74 0.00 1.89 1.82 0.29 0.58 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 0.00 141 M 8.13 3.90 0.00 2.23 1.98 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 142 K 8.11 3.89 0.00 1.98 1.92 0.00 1.56 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.47 7.81 143 Q 8.02 3.90 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 144 F 7.87 4.44 0.00 3.14 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 0.00 145 I 7.69 3.77 1.95 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.59 1.02 0.00 0.00 146 D 8.12 4.48 0.00 2.81 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 0.00 147 E 8.15 4.19 0.00 2.13 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 0.00 2.33 2.12 0.00 148 R 7.93 4.62 0.00 0.71 1.59 0.00 2.93 0.00 0.00 2.73 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.23 0.00 149 P 0.00 4.31 0.00 1.94 2.31 0.00 3.64 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 150 Q 7.88 3.86 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 151 D 8.05 4.72 0.00 2.89 3.29 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 0.00 152 W 8.49 5.03 0.00 3.72 3.53 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 0.00 153 F 8.77 3.87 0.00 3.20 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 E 8.46 3.99 0.00 2.23 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 0.00 2.28 2.32 0.00 155 D 8.02 4.51 0.00 2.90 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 0.00 156 I 6.82 4.13 1.54 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.38 -0.12 0.00 0.00 157 G 7.73 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 0.00 0.00 0.00 158 E 8.30 4.06 0.00 1.38 1.24 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 2.12 1.79 0.00