NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2617 8.2549 119.6946 56.1931 32.7144 176.0194 3 T 3.6917 7.4919 114.4294 63.0571 70.4066 173.6194 4 R 3.4544 8.4401 124.6277 59.4997 30.5960 178.6573 5 S 4.1269 7.7053 112.4430 61.3744 62.4619 175.7099 6 Q 3.6236 7.7637 121.8937 58.8466 28.8551 178.2637 7 V 3.4666 7.3595 119.3649 65.7280 31.4916 178.0907 8 W 4.4584 7.7017 118.0517 59.6362 28.8509 178.3164 9 A 3.5858 7.8113 120.7895 55.2290 17.6836 179.7941 10 Q 3.9070 7.9120 116.4671 58.9633 28.8478 179.2003 11 K 3.9729 8.0553 119.2961 59.1696 31.9981 179.3337 12 A 3.4464 8.2403 121.6292 54.8507 18.1396 178.8479 13 Y 3.3391 7.8211 118.4452 60.7544 38.6571 178.3997 14 E 3.5125 7.7105 119.0632 59.1420 29.4978 179.5482 15 K 4.1138 7.7789 118.0707 59.5408 32.1091 179.5856 16 V 3.6999 8.0178 118.7184 65.9139 31.2411 177.7423 17 R 3.8331 7.7458 117.4705 59.5797 30.0894 178.0228 18 E 3.9948 8.0139 117.7262 59.5012 29.5679 179.1951 19 A 3.7264 7.9202 120.4646 55.0393 17.9684 179.5036 20 A 3.9844 7.9799 118.5988 54.9094 18.4127 179.7232 21 K 4.1867 7.8484 117.0038 58.4559 32.1590 177.9949 22 G 3.9203 7.1951 107.1637 44.1746 0.0000 172.5854 23 E 4.1842 8.2889 118.8542 57.4533 30.1273 177.8243 24 G 4.0226 8.9157 110.1619 45.4743 0.0000 175.3777 25 R 4.0634 7.6848 118.4193 59.1738 29.0832 179.2298 26 G 3.6474 8.0606 105.9453 47.7274 0.0000 175.4908 27 E 4.0730 8.1371 119.6815 59.0590 29.6161 178.2665 28 Y 4.4527 7.9751 120.0995 60.2147 39.1432 177.8222 29 R 4.2551 8.3390 119.4852 59.6056 30.0193 178.3425 30 D 4.5379 8.2030 115.0014 55.6517 39.6431 178.0393 *32 A 4.2857 7.9258 124.7978 52.2243 20.4391 179.8754 33 L 4.2464 8.1869 114.9780 57.1660 42.0708 178.9095 34 K 4.2669 7.6453 116.0486 57.4798 32.4500 178.4134 35 L 3.8964 7.2294 118.6983 57.7090 41.7893 177.1892 36 P 4.1963 0.0000 0.0000 65.6805 31.3722 179.0084 37 V 3.5948 7.6991 117.2756 64.5642 31.1538 178.1684 38 L 3.8330 7.7714 119.6663 57.6282 41.6185 179.6184 39 V 3.5157 7.8439 118.1064 65.9543 31.2474 178.2615 40 R 3.8678 7.9818 116.8412 59.4436 30.0402 178.7002 41 Q 4.1327 8.2915 116.2844 57.9634 29.1101 176.9626 42 A 4.2786 8.1908 120.7586 51.8938 20.1306 178.1408 43 G 4.0600 7.9115 101.6503 45.3475 0.0000 174.4281 44 L 3.8183 8.5048 121.3389 58.1846 42.0841 179.3950 45 S 4.2021 8.4529 115.0122 61.9918 62.7837 177.0066 46 Q 4.0049 8.1088 119.6123 58.8299 28.5508 178.3008 47 A 4.0046 8.0783 121.7817 55.4359 18.3394 179.7789 48 L 3.9347 8.3371 117.4949 57.7979 41.4224 179.6318 49 A 3.9748 7.9733 120.0745 54.8552 18.4545 179.2179 50 F 4.2178 8.5297 119.5212 61.5242 39.4206 177.5652 51 V 3.3928 7.8314 117.9030 65.9855 31.1355 177.3244 52 D 4.4195 8.2577 116.5362 55.9511 41.1326 177.0914 53 S 4.5333 7.1064 112.4392 57.4366 63.8996 174.4153 54 R 3.9169 6.9607 122.1975 56.0984 30.5418 177.1431 55 G 3.6507 8.5827 111.1374 48.4020 0.0000 175.3113 56 K 4.0568 7.8264 120.6561 55.7139 33.4205 177.6475 57 E 3.9429 8.8722 124.2362 59.3837 29.6994 178.8842 58 A 4.1754 7.9176 120.3741 55.2473 18.1305 179.2228 59 H 4.3632 7.9405 114.5631 59.0033 28.9614 177.9155 60 K 3.7723 8.0861 119.4115 58.8409 31.8660 179.2992 61 A 4.0709 8.0964 121.6378 54.7788 18.2710 179.2136 62 L 3.4790 7.4423 118.7916 58.1731 42.0325 179.5307 63 G 3.4586 7.8025 104.8958 47.8313 0.0000 175.1008 64 N 4.3336 8.1454 119.0933 56.2141 38.5622 177.2670 65 D 4.4878 8.5869 120.6318 57.2874 41.0503 178.6384 66 L 4.0709 7.7766 120.6763 57.8926 41.9360 178.8242 67 A 4.0369 8.1130 120.8291 55.4353 18.3952 179.6444 68 Q 4.8189 8.1415 117.9057 58.7545 28.5388 179.2187 69 V 3.7903 8.0055 118.4848 65.6621 31.6555 177.1327 70 L 4.4751 7.6373 115.7243 54.6533 41.7504 177.3818 71 G 3.8918 8.1700 107.6942 45.3321 0.0000 173.1159 72 Y 4.7296 8.1448 117.5058 55.7518 40.0704 177.0034 73 R 3.9295 8.8688 123.2383 59.4163 30.5652 176.3458 74 D 4.5089 7.5840 115.5218 51.4652 42.8200 175.8139 75 L 3.8565 8.2350 120.0117 58.3187 41.8742 178.5017 76 R 3.8381 8.0318 118.0644 59.5744 30.0072 177.9078 77 E 3.9404 8.8834 119.3158 59.1189 29.6475 178.4445 78 L 2.9323 7.8711 120.1386 57.8653 42.1876 178.8425 79 A 3.9461 8.1972 121.0402 55.0537 18.3503 179.2661 80 E 3.8884 8.1185 117.8008 59.2589 29.6451 178.8486 81 A 4.0506 8.0126 120.7360 55.1031 18.1952 179.5049 82 A 4.1021 7.7833 118.7666 55.1961 18.5623 179.7193 83 R 4.0598 7.8798 113.2304 58.6528 29.8318 178.0939 84 E 4.2442 7.9539 117.4933 56.6361 30.2453 176.7214 85 A 4.1531 7.1886 121.5334 52.0627 19.1204 177.6906 86 E 4.3690 8.4895 120.7742 54.9494 32.0222 177.8798 87 L 3.9845 8.4268 120.7293 58.9245 41.9297 178.9378 88 L 4.0443 7.9410 118.0079 57.9894 41.6221 179.4846 89 Q 4.1014 8.0897 117.5920 58.9088 28.7357 177.9026 90 Y 4.1033 8.3009 120.9910 60.7021 38.8599 177.9029 91 L 3.9945 8.3532 120.1630 57.5296 41.6151 179.5367 92 R 3.8773 8.0312 118.8877 59.3893 30.0932 178.3376 93 L 3.9119 7.9905 120.1176 58.2404 41.9161 179.0895 94 T 3.6090 7.5902 115.7253 66.6588 68.3354 176.7624 95 R 3.8861 7.8693 119.8998 59.0599 30.0743 178.7090 96 E 3.6704 8.2829 119.1559 59.3473 29.6094 179.1365 97 V 3.4156 7.9746 118.6065 65.6307 31.5433 177.6972 98 L 3.8473 8.0522 120.0209 58.0038 41.8396 178.7171 99 A 3.9747 8.1749 120.5766 55.2826 18.4118 179.4656 100 A 4.3039 8.0507 118.9787 55.4110 18.4523 179.6898 101 A 4.1256 8.4776 119.7031 55.4329 18.4002 179.7268 102 E 3.8768 8.3337 117.1255 59.2944 29.4256 179.6463 103 W 4.5138 7.8590 119.2309 59.8374 29.1550 178.6201 104 F 4.2458 8.6587 117.9237 60.3027 38.3499 177.6413 105 K 4.0359 8.4637 119.2695 59.6206 32.0732 178.9462 106 R 3.8784 8.1141 118.2715 59.5841 30.0071 179.2420 107 F 4.3172 8.5463 117.0480 60.2032 38.7664 177.7734 108 A 4.2233 8.4727 120.8571 55.3652 18.0064 179.6406 109 Q 3.9648 8.2300 115.3755 58.9051 28.8384 178.4109 110 A 4.3345 7.7812 120.0263 53.5283 19.0623 178.4672 111 L 4.6332 8.2482 115.5017 54.7839 43.3034 176.6656 112 I 4.1340 8.0659 124.2376 61.3020 37.3992 175.2244 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 2 R 8.25 4.26 0.00 1.77 1.97 0.00 3.32 0.00 0.00 3.19 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 3 T 7.49 3.69 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 1.21 0.00 0.00 4 R 8.44 3.45 0.00 1.59 1.55 0.00 3.05 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.95 0.00 5 S 7.71 4.13 0.00 4.08 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 6 Q 7.76 3.62 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 7 V 7.36 3.47 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 0.93 0.00 0.00 0.82 0.00 0.00 8 W 7.70 4.46 0.00 3.77 3.21 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 0.00 9 A 7.81 3.59 -0.14 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 10 Q 7.91 3.91 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.53 0.00 11 K 8.06 3.97 0.00 1.91 1.90 0.00 1.74 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.65 7.81 12 A 8.24 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 7.82 3.34 0.00 1.43 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 14 E 7.71 3.51 0.00 2.07 1.82 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 2.33 2.36 0.00 15 K 7.78 4.11 0.00 2.13 2.35 0.00 2.01 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.73 1.90 7.81 16 V 8.02 3.70 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 1.36 0.00 0.00 1.29 0.00 0.00 17 R 7.75 3.83 0.00 1.70 1.89 0.00 2.73 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 18 E 8.01 3.99 0.00 2.09 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 0.00 2.25 2.59 0.00 19 A 7.92 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.98 3.98 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 21 K 7.85 4.19 0.00 1.86 1.85 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.59 7.81 22 G 7.20 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.29 4.18 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 2.31 2.25 0.00 24 G 8.92 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 0.00 0.00 0.00 25 R 7.68 4.06 0.00 1.95 2.47 0.00 2.89 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 26 G 8.06 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 27 E 8.14 4.07 0.00 2.10 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 2.31 2.38 0.00 28 Y 7.98 4.45 0.00 3.08 3.22 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 29 R 8.34 4.26 0.00 2.10 2.28 0.00 3.41 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 30 D 8.20 4.54 0.00 3.03 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 *32 A 7.93 4.29 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.19 4.25 0.00 1.79 1.75 0.95 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.65 4.27 0.00 1.80 1.80 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.56 7.81 35 L 7.23 3.90 0.00 1.65 1.62 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.20 0.00 2.15 2.15 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 37 V 7.70 3.59 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 1.02 0.00 0.00 0.88 0.00 0.00 38 L 7.77 3.83 0.00 1.89 1.67 0.84 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.84 3.52 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 0.95 0.00 0.00 0.93 0.00 0.00 40 R 7.98 3.87 0.00 1.89 1.94 0.00 3.17 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 41 Q 8.29 4.13 0.00 1.92 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 42 A 8.19 4.28 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 43 G 7.91 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 44 L 8.50 3.82 0.00 1.48 1.29 0.77 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.45 4.20 0.00 3.99 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 8.11 4.00 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 47 A 8.08 4.00 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 48 L 8.34 3.93 0.00 1.66 1.68 0.82 0.63 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 49 A 7.97 3.97 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 50 F 8.53 4.22 0.00 3.17 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 51 V 7.83 3.39 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 0.84 0.00 0.00 1.02 0.00 0.00 52 D 8.26 4.42 0.00 2.78 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 53 S 7.11 4.53 0.00 3.94 3.94 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 54 R 6.96 3.92 0.00 1.72 1.80 0.00 2.21 0.00 0.00 2.81 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.37 0.00 55 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 56 K 7.83 4.06 0.00 1.55 1.75 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.27 7.81 57 E 8.87 3.94 0.00 2.02 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 2.39 2.39 0.00 58 A 7.92 4.18 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 59 H 7.94 4.36 0.00 3.34 3.24 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 60 K 8.09 3.77 0.00 1.82 1.82 0.00 1.62 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.58 7.81 61 A 8.10 4.07 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 0.00 0.00 0.00 0.00 0.00 62 L 7.44 3.48 0.00 1.01 1.53 0.55 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.80 3.46 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 0.00 64 N 8.15 4.33 0.00 2.97 2.91 0.00 0.00 7.07 7.36 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 65 D 8.59 4.49 0.00 2.87 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 66 L 7.78 4.07 0.00 1.05 1.54 0.80 1.01 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 67 A 8.11 4.04 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 68 Q 8.14 4.82 0.00 2.37 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.74 0.00 0.00 0.00 0.00 0.00 2.63 2.49 0.00 69 V 8.01 3.79 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 1.06 0.00 0.00 1.25 0.00 0.00 70 L 7.64 4.48 0.00 2.02 1.80 0.73 -0.08 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 71 G 8.17 3.89 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 0.00 0.00 0.00 72 Y 8.14 4.73 0.00 3.14 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 73 R 8.87 3.93 0.00 1.83 2.12 0.00 3.49 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 74 D 7.58 4.51 0.00 2.94 2.75 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 75 L 8.23 3.86 0.00 1.73 1.67 0.83 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.03 3.84 0.00 1.90 2.11 0.00 3.23 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 77 E 8.88 3.94 0.00 2.20 2.20 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 2.63 2.44 0.00 78 L 7.87 2.93 0.00 1.37 1.58 0.19 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.20 3.95 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 80 E 8.12 3.89 0.00 2.07 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 2.35 2.35 0.00 81 A 8.01 4.05 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 82 A 7.78 4.10 1.40 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 83 R 7.88 4.06 0.00 2.01 2.08 0.00 3.06 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.67 0.00 84 E 7.95 4.24 0.00 2.10 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 2.32 2.42 0.00 85 A 7.19 4.15 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 86 E 8.49 4.37 0.00 2.28 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 2.40 2.38 0.00 87 L 8.43 3.98 0.00 1.75 1.70 0.97 0.57 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 88 L 7.94 4.04 0.00 1.77 1.74 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 8.09 4.10 0.00 2.36 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.92 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 90 Y 8.30 4.10 0.00 3.13 3.15 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 91 L 8.35 3.99 0.00 1.90 1.73 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.03 3.88 0.00 2.05 2.12 0.00 3.18 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 93 L 7.99 3.91 0.00 1.90 1.65 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 94 T 7.59 3.61 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 1.09 0.00 0.00 95 R 7.87 3.89 0.00 2.06 2.04 0.00 3.17 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 96 E 8.28 3.67 0.00 2.21 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 1.57 2.20 0.00 97 V 7.97 3.42 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 0.90 0.00 0.00 0.79 0.00 0.00 98 L 8.05 3.85 0.00 1.81 1.83 0.87 0.86 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 99 A 8.17 3.97 1.67 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 0.00 100 A 8.05 4.30 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 0.00 101 A 8.48 4.13 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 0.00 102 E 8.33 3.88 0.00 1.83 1.64 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 2.42 2.33 0.00 103 W 7.86 4.51 0.00 3.66 3.39 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 0.00 104 F 8.66 4.25 0.00 3.36 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.46 4.04 0.00 2.06 2.01 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.51 7.81 106 R 8.11 3.88 0.00 2.00 1.77 0.00 2.68 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 107 F 8.55 4.32 0.00 3.34 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 0.00 108 A 8.47 4.22 1.62 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 0.00 0.00 109 Q 8.23 3.96 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 110 A 7.78 4.33 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 0.00 111 L 8.25 4.63 0.00 1.85 1.82 1.24 0.85 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 0.00 112 I 8.07 4.13 2.12 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.69 1.03 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.