NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 F 4.6552 8.3249 122.8189 58.2198 40.1421 174.9783 18 L 3.9246 7.2336 123.6099 52.9966 45.7458 173.6632 19 S 4.3034 6.7038 114.9591 60.0077 63.6564 172.0975 20 T 3.6528 8.4117 122.0892 61.6041 65.3727 172.8489 21 A 4.3201 7.3407 125.4668 51.4291 19.2993 176.8075 22 N 4.8883 8.2214 118.6889 51.4749 40.3165 175.0299 23 E 3.9920 8.7894 116.4877 60.1532 29.2953 178.8104 24 E 3.9469 8.1992 118.4990 59.4523 29.3826 178.0463 25 E 4.2230 7.9783 115.7971 57.7197 29.6234 178.5926 26 K 4.0074 8.2669 121.6339 59.4244 32.4026 178.0036 27 D 4.4452 7.9011 117.6762 56.5120 41.2889 177.9779 28 V 3.7543 7.4182 117.7165 64.6576 31.3189 176.3432 29 L 4.5565 7.6369 118.1134 56.4189 43.9004 177.4654 30 S 4.1356 7.9012 113.1849 61.8408 62.2966 176.5607 31 S 4.9396 8.1136 118.7609 61.2703 62.7006 176.5523 32 I 3.7019 7.4316 122.1072 64.3069 36.6860 178.0604 33 V 3.9045 7.6492 118.1669 65.0520 31.6936 177.6814 34 D 4.4553 8.0723 118.4077 56.8225 40.5110 178.8461 35 G 3.5738 8.2347 106.3681 47.7474 0.0000 176.0187 36 L 3.6137 7.7974 121.5727 56.9773 41.4095 179.5777 37 L 4.1324 8.2815 120.6745 58.0484 41.9004 178.7277 38 A 4.3205 7.6831 120.9737 54.4529 18.3698 179.2735 39 K 4.0674 8.7754 118.4736 59.4391 32.5167 178.9270 40 Q 4.2053 7.7395 118.2476 58.7757 28.7109 177.9133 41 E 4.1288 8.0845 116.0374 55.5491 29.2654 176.5888 42 R 4.5793 6.9004 116.9644 55.9305 32.7221 174.8340 43 R 4.2167 7.8371 122.0152 56.6451 32.0124 176.1578 44 Y 3.5077 8.5196 112.3976 58.4862 36.6032 169.5894 45 A 4.3587 7.6065 122.2837 51.5028 19.6470 176.7325 46 T 4.3586 7.9833 115.5574 60.2802 69.3644 174.5536 47 Y 4.4166 7.9446 121.9425 60.8799 37.3527 178.4500 48 L 3.9951 8.1843 120.9547 57.9931 42.6177 178.8689 49 A 4.4885 7.6823 119.9826 53.5914 19.7479 179.6393 50 S 4.1953 8.7800 113.1041 61.8903 63.2311 176.8680 51 L 4.0227 8.0958 118.7225 58.0965 41.4966 178.8413 52 T 3.9260 7.2614 107.1804 62.7207 69.0745 173.8502 53 Q 3.5265 7.3523 119.7433 56.9254 26.0853 175.6268 54 I 4.1025 7.4585 111.6051 60.3600 37.1032 174.8393 55 E 4.1907 8.2878 131.1685 56.5948 30.1373 175.6762 56 S 4.9584 8.6812 123.3522 57.5088 64.8119 173.2532 57 Q 4.6927 8.9718 120.6204 54.9137 32.7351 172.9193 58 E 5.0120 8.2790 119.3534 53.1816 32.4101 175.6686 59 R 4.2037 8.2683 125.6158 55.4920 31.1582 176.8437 60 E 4.1496 8.4897 116.7083 58.1013 29.3014 177.6469 61 D 4.5013 7.7762 118.0058 54.2257 41.7149 177.3732 62 G 3.7822 7.7368 106.9971 44.5864 0.0000 173.5927 63 R 4.2216 7.4278 118.6156 56.4746 31.6899 175.2028 64 F 5.3410 8.3776 117.4781 56.3880 43.1126 174.2841 65 E 4.8683 9.2785 119.2972 55.5056 33.2753 174.3579 66 V 5.0235 8.8805 123.4795 61.2119 30.8489 174.6445 67 R 4.8057 8.0271 122.6342 54.8598 32.3881 175.3506 68 L 4.8035 8.8115 119.5840 53.9667 44.0473 173.1991 69 P 5.0209 0.0000 0.0000 62.6285 32.2459 175.9200 70 I 4.2084 10.1246 124.9409 60.8805 38.0217 175.8365 71 G 4.2732 8.5047 114.0420 42.7594 0.0000 171.3456 72 P 4.3714 0.0000 0.0000 65.4386 31.2035 178.3563 73 L 3.9669 8.0879 118.2343 58.5994 40.3107 178.3009 74 V 4.0283 8.2929 111.0587 61.4678 31.9994 175.8736 75 N 4.7937 7.6691 118.4533 52.3392 39.5843 172.7965 76 N 4.9956 7.9481 115.7600 50.0216 40.1910 173.1557 77 P 4.3721 0.0000 0.0000 64.5634 30.9951 176.5749 78 L 4.3846 7.6445 117.6632 54.0541 42.5005 175.6870 79 N 3.9491 8.3245 116.6032 53.8871 35.6198 173.9055 *81 V 4.0128 7.2341 116.6632 62.4566 33.2518 174.5416 82 H 4.2288 9.3337 123.7803 55.5593 29.2719 176.8723 83 G 3.5379 8.9181 111.4768 47.9968 0.0000 175.8749 84 G 3.8376 8.0647 107.2418 47.6106 0.0000 175.6638 85 I 3.9578 7.6507 121.4797 64.2458 37.2690 178.3795 86 T 3.9688 8.4686 116.9951 66.2504 68.2241 176.4748 87 A 4.0443 8.5073 123.2187 55.7820 18.4763 179.7586 88 T 3.9045 8.0684 114.0214 66.5934 68.4835 176.5756 89 L 3.9734 8.0894 122.2031 58.2868 41.9916 179.0197 90 L 4.0195 7.8735 117.5077 57.8996 41.6328 178.6533 91 D 4.6217 8.3933 117.3388 57.7306 41.3799 178.3653 92 T 4.0714 8.2305 115.9769 66.4662 68.3065 176.5762 93 A 4.0221 7.6601 120.0715 53.3821 19.3706 178.4398 *95 G 3.7386 7.9626 109.2690 46.9954 0.0000 177.9395 96 Q 4.1190 8.2730 119.1537 55.5652 28.2962 179.1237 *98 V 3.8307 8.0072 118.3763 63.0100 33.2395 176.9986 99 N 4.2831 7.9281 116.9084 56.4293 38.6701 177.5832 100 R 3.8191 7.4324 116.3895 59.4009 30.0794 177.8021 101 Q 4.1672 7.8807 113.7160 56.6933 28.8558 175.9089 102 L 4.5833 7.2370 118.5170 52.1687 43.4959 174.7446 103 P 4.3865 0.0000 0.0000 62.4840 31.9310 175.6144 104 D 4.5592 8.3738 120.3124 55.6626 41.0843 176.0125 105 G 4.1658 9.0453 112.4218 46.0601 0.0000 174.2370 106 Q 4.3293 7.4614 117.0639 55.7998 29.6894 175.2303 107 S 4.8965 8.2937 114.3952 56.9649 67.6872 172.7131 108 A 5.3775 8.6427 122.3418 50.3727 22.1010 175.9254 109 V 4.6478 8.6825 112.1370 59.5227 35.7471 175.5126 110 T 3.1417 8.5599 121.1426 63.9697 68.2464 173.9621 111 S 4.4276 9.3957 123.1828 60.1720 63.2519 174.0486 112 E 4.7620 7.7410 117.8268 54.3231 33.8324 174.1365 113 L 4.9042 8.4416 124.1440 53.4158 45.3297 175.0455 114 N 4.9471 9.1751 123.5588 51.6482 41.5536 173.3916 115 I 4.4532 8.3004 124.4272 59.6202 40.0678 175.3032 116 H 4.5125 8.2171 122.4602 54.2222 31.0878 172.9356 117 Y 4.8268 8.4357 122.4061 56.8845 35.5089 176.1196 118 V 3.6576 7.6154 122.6686 64.2157 32.5556 175.7381 119 K 4.7794 8.1098 117.6011 53.2038 35.6541 174.2964 120 P 4.4207 0.0000 0.0000 62.8675 31.7319 176.1454 121 G 3.7728 8.5199 110.5944 44.9094 0.0000 173.7203 *123 G 3.7892 8.1910 112.1314 45.7997 0.0000 171.6642 124 T 4.1536 8.9170 113.9158 64.8340 67.9375 175.3080 125 Y 5.4334 7.6620 116.6353 55.5741 42.3714 173.0181 126 L 5.2239 9.1857 119.3663 53.0762 45.1793 175.7387 127 R 5.0211 9.1493 121.3638 54.5026 33.5688 173.7930 128 A 5.3504 8.5387 127.4186 50.1481 22.1144 174.9526 129 V 4.7205 9.3529 122.3285 61.0154 34.6794 174.4496 130 A 5.2757 8.4661 128.0982 50.5961 22.4968 175.2339 131 S 4.4947 8.4574 111.1830 57.3510 66.5096 174.1238 132 I 4.0199 8.4493 128.7132 61.7120 36.9448 175.9707 133 V 3.9581 8.9848 128.0324 65.5148 32.4138 175.9693 134 H 4.6992 7.8453 117.9475 55.0660 33.3307 171.8530 135 Q 4.6479 8.5702 126.9449 54.2924 30.8441 174.7591 136 G 4.1832 8.7040 115.2589 43.0913 0.0000 173.9583 137 K 3.9557 8.5997 118.6874 58.7918 32.5778 177.8323 138 Q 4.4739 7.9127 115.3989 56.5488 31.7794 175.6345 139 R 4.6021 7.5992 118.2279 54.2381 33.1874 174.6324 140 I 4.8740 8.5270 125.7304 59.5632 40.8255 174.3230 141 V 4.8939 8.8333 127.7372 61.3550 33.5898 174.7311 142 V 5.0209 8.7262 126.8734 61.1272 35.4145 173.9196 143 E 5.0461 8.6791 124.3202 54.6487 32.9252 174.6253 144 G 4.3873 8.0300 104.5276 45.8490 0.0000 173.0916 145 K 4.8481 8.8806 120.6887 54.1635 36.9276 175.3697 146 V 4.7882 8.3683 122.1724 61.7564 34.4083 174.3629 147 Y 5.5573 9.7860 126.7927 55.8707 41.7992 174.4668 148 T 5.1230 8.4321 109.5905 60.0997 71.7318 175.0457 149 D 3.3700 8.1214 121.5438 55.2925 38.7179 176.5136 150 Q 4.3584 7.7876 116.3467 55.1123 31.3045 175.3229 151 G 4.1198 7.9758 114.1784 45.8724 0.0000 173.6761 152 E 4.1353 7.7363 120.6359 56.6698 30.0692 175.9634 153 T 4.3256 8.4417 119.8435 63.8077 68.7835 174.6146 154 V 4.1807 9.4284 127.2021 64.8038 33.1739 174.9806 155 A 5.5670 6.7454 119.3599 51.6776 22.4135 175.0780 *157 G 4.1052 8.5754 102.6036 46.7489 0.0000 171.7769 158 T 5.1987 8.2223 108.9603 60.3297 73.1966 172.5356 159 G 4.4161 8.5696 107.5803 46.2108 0.0000 172.3055 160 S 5.4723 8.7719 115.5677 56.6688 66.6628 173.8455 161 F 4.9772 9.2225 121.0587 55.7498 43.1444 174.0162 162 F 4.9949 9.1428 119.0300 55.5046 42.8284 175.0688 163 V 4.1264 8.5850 122.8445 62.2732 31.2741 175.2198 164 L 3.9684 8.2755 130.1229 55.4605 42.6224 177.2196 165 R 4.6666 8.3028 122.7581 58.4523 31.8308 175.2526 166 S 3.7402 7.5233 112.6227 56.5487 61.8986 174.3559 167 R 4.0895 8.7930 121.0693 56.7712 28.7888 176.2551 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 17 F 8.32 4.66 0.00 3.04 3.08 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 0.00 0.00 0.00 18 L 7.23 3.92 0.00 1.63 1.43 0.87 0.75 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 19 S 6.70 4.30 0.00 3.86 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 20 T 8.41 3.65 4.30 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 1.32 0.00 0.00 21 A 7.34 4.32 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 22 N 8.22 4.89 0.00 2.87 2.99 0.00 0.00 6.18 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 23 E 8.79 3.99 0.00 1.99 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 2.40 2.32 0.00 24 E 8.20 3.95 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 25 E 7.98 4.22 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 26 K 8.27 4.01 0.00 1.85 2.05 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.57 7.81 27 D 7.90 4.45 0.00 2.83 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 28 V 7.42 3.75 2.18 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 0.86 0.00 0.00 0.99 0.00 0.00 29 L 7.64 4.56 0.00 1.71 1.73 0.94 0.86 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 30 S 7.90 4.14 0.00 3.95 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 0.00 31 S 8.11 4.94 0.00 3.93 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 32 I 7.43 3.70 2.06 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 1.52 1.35 0.91 0.00 0.00 33 V 7.65 3.90 2.23 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 1.15 0.00 0.00 0.98 0.00 0.00 34 D 8.07 4.46 0.00 2.85 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 35 G 8.23 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.80 3.61 0.00 1.78 1.80 0.91 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.28 4.13 0.00 1.91 1.82 0.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.68 4.32 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 39 K 8.78 4.07 0.00 1.88 1.93 0.00 1.78 0.00 0.00 1.51 0.00 0.00 2.68 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.59 7.81 40 Q 7.74 4.21 0.00 2.51 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 41 E 8.08 4.13 0.00 2.12 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 2.34 2.60 0.00 42 R 6.90 4.58 0.00 1.95 1.91 0.00 3.07 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.37 0.00 43 R 7.84 4.22 0.00 2.04 2.17 0.00 3.30 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 44 Y 8.52 3.51 0.00 3.12 3.16 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 45 A 7.61 4.36 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 46 T 7.98 4.36 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 1.23 0.00 0.00 47 Y 7.94 4.42 0.00 3.12 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 48 L 8.18 4.00 0.00 1.73 1.76 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.68 4.49 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 50 S 8.78 4.20 0.00 4.17 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 51 L 8.10 4.02 0.00 1.66 1.75 1.04 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.26 3.93 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 53 Q 7.35 3.53 0.00 2.39 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.26 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 54 I 7.46 4.10 1.90 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 1.31 0.55 0.95 0.00 0.00 55 E 8.29 4.19 0.00 2.19 1.88 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 2.32 2.29 0.00 56 S 8.68 4.96 0.00 3.82 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 57 Q 8.97 4.69 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 58 E 8.28 5.01 0.00 1.51 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 1.82 1.56 0.00 59 R 8.27 4.20 0.00 1.75 1.99 0.00 3.29 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 60 E 8.49 4.15 0.00 1.89 1.95 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 2.28 2.35 0.00 61 D 7.78 4.50 0.00 2.57 2.66 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 0.00 0.00 0.00 0.00 62 G 7.74 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.43 4.22 0.00 1.66 1.87 0.00 3.22 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 64 F 8.38 5.34 0.00 2.87 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 9.28 4.87 0.00 2.13 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 2.20 2.24 0.00 66 V 8.88 5.02 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 1.05 0.00 0.00 0.96 0.00 0.00 67 R 8.03 4.81 0.00 1.56 1.81 0.00 2.68 0.00 0.00 2.44 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.39 0.00 68 L 8.81 4.80 0.00 1.69 1.79 0.97 1.07 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 69 P 0.00 5.02 0.00 2.02 2.11 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.20 0.00 70 I 10.12 4.21 2.16 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 1.20 0.41 0.94 0.00 0.00 71 G 8.50 4.27 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 0.00 72 P 0.00 4.37 0.00 2.23 2.37 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 73 L 8.09 3.97 0.00 1.80 1.88 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.29 4.03 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 0.82 0.00 0.00 1.05 0.00 0.00 75 N 7.67 4.79 0.00 2.64 2.74 0.00 0.00 6.71 7.85 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 76 N 7.95 5.00 0.00 2.69 2.30 0.00 0.00 5.68 7.76 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 77 P 0.00 4.37 0.00 2.18 2.21 0.00 3.69 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 1.96 1.99 0.00 78 L 7.64 4.38 0.00 1.59 1.68 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.32 3.95 0.00 2.82 2.85 0.00 0.00 6.80 7.46 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 *81 V 7.23 4.01 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 0.86 0.00 0.00 1.02 0.00 0.00 82 H 9.33 4.23 0.00 3.31 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.92 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.06 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 85 I 7.65 3.96 2.07 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 1.67 0.58 0.97 0.00 0.00 86 T 8.47 3.97 4.70 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 1.32 0.00 0.00 87 A 8.51 4.04 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.07 3.90 4.43 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 1.25 0.00 0.00 89 L 8.09 3.97 0.00 1.91 1.91 1.01 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.87 4.02 0.00 1.81 1.74 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.39 4.62 0.00 2.72 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 92 T 8.23 4.07 4.44 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 1.25 0.00 0.00 93 A 7.66 4.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *95 G 7.96 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 96 Q 8.27 4.12 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.34 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 *98 V 8.01 3.83 1.75 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 0.84 0.00 0.00 0.16 0.00 0.00 99 N 7.93 4.28 0.00 2.74 2.82 0.00 0.00 7.12 7.22 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 0.00 100 R 7.43 3.82 0.00 1.58 1.84 0.00 2.53 0.00 0.00 2.42 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.60 0.00 101 Q 7.88 4.17 0.00 1.99 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 102 L 7.24 4.58 0.00 1.80 1.56 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.39 0.00 2.32 1.98 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 104 D 8.37 4.56 0.00 2.67 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 9.05 4.17 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 0.00 0.00 0.00 106 Q 7.46 4.33 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.65 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 107 S 8.29 4.90 0.00 3.73 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 0.00 108 A 8.64 5.38 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 0.00 109 V 8.68 4.65 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 0.78 0.00 0.00 1.01 0.00 0.00 110 T 8.56 3.14 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 111 S 9.40 4.43 0.00 4.02 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 0.00 112 E 7.74 4.76 0.00 1.91 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 2.28 2.32 0.00 113 L 8.44 4.90 0.00 1.52 1.46 0.93 0.94 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 0.00 114 N 9.18 4.95 0.00 2.68 2.61 0.00 0.00 6.42 6.79 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 0.00 115 I 8.30 4.45 1.48 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.78 -0.07 0.00 0.00 116 H 8.22 4.51 0.00 2.95 3.14 0.00 5.61 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Y 8.44 4.83 0.00 3.03 2.96 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 0.00 118 V 7.62 3.66 2.17 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 0.88 0.00 0.00 0.95 0.00 0.00 119 K 8.11 4.78 0.00 1.98 1.67 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.43 7.81 120 P 0.00 4.42 0.00 2.18 2.07 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 121 G 8.52 3.77 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 0.00 0.00 0.00 *123 G 8.19 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 0.00 124 T 8.92 4.15 4.22 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 1.07 0.00 0.00 125 Y 7.66 5.43 0.00 3.14 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 0.00 126 L 9.19 5.22 0.00 1.70 1.70 1.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 127 R 9.15 5.02 0.00 2.08 1.99 0.00 3.35 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 128 A 8.54 5.35 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 0.00 129 V 9.35 4.72 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.08 0.00 0.00 130 A 8.47 5.28 1.21 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 0.00 0.00 131 S 8.46 4.49 0.00 3.92 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 0.00 132 I 8.45 4.02 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.44 0.94 0.00 0.00 133 V 8.98 3.96 2.23 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 0.72 0.00 0.00 0.95 0.00 0.00 134 H 7.85 4.70 0.00 3.27 3.08 0.00 5.87 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 8.57 4.65 0.00 1.98 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.59 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 136 G 8.70 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 0.00 0.00 0.00 0.00 137 K 8.60 3.96 0.00 1.73 1.90 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.53 7.81 138 Q 7.91 4.47 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 139 R 7.60 4.60 0.00 1.16 1.50 0.00 3.10 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.37 0.00 140 I 8.53 4.87 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.11 0.84 0.00 0.00 141 V 8.83 4.89 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 0.84 0.00 0.00 0.96 0.00 0.00 142 V 8.73 5.02 2.18 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 0.95 0.00 0.00 0.88 0.00 0.00 143 E 8.68 5.05 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.24 0.00 144 G 8.03 4.39 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 0.00 145 K 8.88 4.85 0.00 1.40 0.86 0.00 1.57 0.00 0.00 1.34 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.16 1.26 7.81 146 V 8.37 4.79 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 1.08 0.00 0.00 0.92 0.00 0.00 147 Y 9.79 5.56 0.00 2.96 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 0.00 148 T 8.43 5.12 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 1.26 0.00 0.00 149 D 8.12 3.37 0.00 1.78 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 0.00 150 Q 7.79 4.36 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.25 2.18 0.00 151 G 7.98 4.12 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 0.00 0.00 0.00 152 E 7.74 4.14 0.00 2.14 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 2.43 2.44 0.00 153 T 8.44 4.33 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 1.11 0.00 0.00 154 V 9.43 4.18 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 1.39 0.00 0.00 0.99 0.00 0.00 155 A 6.75 5.57 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *157 G 8.58 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 0.00 158 T 8.22 5.20 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 159 G 8.57 4.42 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 0.00 160 S 8.77 5.47 0.00 3.84 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 0.00 161 F 9.22 4.98 0.00 2.97 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 0.00 162 F 9.14 4.99 0.00 2.95 2.96 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 0.00 163 V 8.59 4.13 2.14 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 0.72 0.00 0.00 1.04 0.00 0.00 164 L 8.28 3.97 0.00 1.77 1.73 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 165 R 8.30 4.67 0.00 1.79 1.86 0.00 3.33 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 1.57 1.87 0.00 166 S 7.52 3.74 0.00 3.89 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 0.00 167 R 8.79 4.09 0.00 1.90 1.94 0.00 3.22 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.