NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 T 4.2686 8.1701 110.9444 61.0057 70.4719 173.4644 17 A 3.8396 7.8583 125.2265 50.5556 18.8148 177.0415 18 R 4.0018 8.4726 119.2925 55.3414 31.4148 174.3419 19 M 3.8162 8.6515 118.5844 56.5318 32.5687 176.3972 20 Q 4.3027 8.5385 124.2622 56.0102 30.3198 176.1275 21 G 3.8654 8.6952 107.2670 45.6250 0.0000 175.3409 22 A 3.7712 7.7965 122.6460 54.7795 18.1562 180.2689 23 G 3.4846 7.6948 105.0492 47.1860 0.0000 175.5973 24 K 3.8407 7.9403 121.7303 59.1474 32.2031 178.4854 25 A 3.9032 8.1615 121.2815 54.9785 18.2053 179.3564 26 L 3.7355 8.1213 119.2204 58.3401 42.2721 178.3785 27 H 4.0250 8.2903 118.3396 59.5115 29.7106 176.7125 28 E 3.8671 8.1952 120.7546 59.0278 29.4241 178.4151 29 L 3.8081 8.1616 120.7612 58.1133 42.1423 178.8333 30 L 4.0217 8.1879 119.2190 57.8703 41.5040 179.5990 31 L 3.9639 7.7285 118.3635 57.9883 41.6164 179.8233 32 S 4.2354 8.5523 115.2409 61.6607 62.7114 176.6916 33 A 3.9862 8.8371 124.0011 54.9994 18.1283 179.4700 34 Q 3.8512 8.1723 118.1268 59.5078 29.0140 178.3985 35 R 3.9113 8.0329 118.4323 59.3550 30.1128 177.4682 36 Q 4.1862 7.9988 117.3435 55.8944 29.1873 175.9383 37 G 3.8523 7.8504 107.4144 46.9325 0.0000 173.2757 38 C 4.7816 8.1170 113.5853 57.4359 30.4414 172.5625 39 L 5.2145 8.0352 120.6939 54.6831 43.9355 175.1485 40 T 4.7865 9.1439 122.4345 61.6700 71.4096 172.9942 41 A 5.0779 8.6422 126.7201 50.9377 22.0379 175.4554 42 G 4.2043 9.2999 110.0275 43.3367 0.0000 175.3243 43 V 3.4826 8.9800 122.1976 66.0262 31.4909 178.4385 44 Y 3.9398 7.6097 115.7314 61.1182 37.8746 177.7870 45 E 3.9873 8.2818 119.7373 59.3466 29.7244 178.8407 46 S 4.0826 8.3006 115.0129 61.5169 62.9417 176.4228 47 A 3.8807 8.0565 123.4689 54.9939 18.1625 179.5862 48 K 3.8253 7.9884 118.0540 59.7042 32.1825 179.2612 49 V 3.6052 7.9471 118.5756 65.8030 31.1959 177.9981 50 L 4.0481 8.0152 118.2947 57.9190 41.5861 178.7075 51 N 4.0774 7.7477 115.7939 56.4294 38.9086 176.8998 52 V 4.0010 7.5718 119.5319 63.6580 33.0272 176.3270 53 D 4.7478 7.7144 117.4638 52.6346 43.0250 173.4323 54 P 4.4941 0.0000 0.0000 65.1510 31.9853 179.2794 55 D 4.3559 8.2887 117.9113 57.0592 40.9241 176.9179 56 N 4.5003 8.1439 116.3407 54.5396 39.3512 174.1879 57 V 4.6482 7.7195 118.5422 62.0605 32.6066 175.1179 58 T 4.6947 8.8493 116.9377 62.1914 70.8602 174.3203 59 F 5.0448 8.0224 123.3412 56.9994 43.1980 172.3360 60 C 5.2558 8.5324 125.1298 57.5122 35.2214 172.5179 61 V 4.7126 8.7861 125.2441 61.1114 34.0196 173.8814 62 L 4.6372 8.7983 128.3180 52.9013 43.4007 175.2155 63 A 5.4186 8.9848 126.0166 50.0840 21.9893 174.8480 64 A 5.0296 9.0661 123.8750 51.0444 23.2992 176.3786 65 D 5.2546 9.0745 122.5096 51.4028 41.7606 176.0456 66 E 4.0994 8.7607 118.9479 59.3140 30.0796 178.7225 67 E 4.0433 8.2455 117.1026 59.4326 29.6778 178.5360 68 D 4.4162 8.8870 119.8843 56.7339 40.5512 178.3417 69 E 4.1460 8.0139 118.3493 58.4684 29.4764 178.3071 70 G 4.1134 7.6367 103.2013 44.0790 0.0000 174.4675 71 D 4.5828 7.6146 121.7191 52.7917 40.2662 176.4022 72 I 3.6065 7.9541 126.6765 63.7998 37.3435 177.3244 73 A 3.9273 7.9755 121.1104 55.1810 18.0850 178.9889 74 L 3.6762 7.8221 118.0950 58.6365 42.0223 179.2737 75 Q 3.7338 7.9322 117.6997 58.8813 28.5854 179.1401 76 I 3.6998 8.0648 121.2321 64.6091 37.1643 177.8544 77 H 4.1372 8.3244 117.3710 59.1656 28.5709 177.6467 78 F 4.3744 8.5666 119.4056 61.0390 38.7505 177.7778 79 T 3.9646 8.3113 115.4320 66.7218 68.2146 176.6676 80 L 4.0473 8.0938 120.7387 57.8124 41.6183 179.6752 81 I 3.7316 7.9524 119.7337 64.3436 36.9925 178.2214 82 Q 3.9075 8.6059 120.4893 59.1752 28.8438 178.0341 83 A 3.9765 8.1454 121.7598 55.2188 18.4933 179.3409 84 F 4.2210 8.3633 120.3552 61.0531 39.4189 176.9535 85 C 4.0386 8.5797 116.6661 63.1568 28.1129 175.7968 86 C 3.9914 8.1959 118.2200 63.1384 27.4285 176.2421 87 E 3.9515 8.4432 120.0444 58.4717 28.6510 178.1983 88 N 4.7534 7.1933 113.3137 51.6078 39.3817 174.1365 89 D 4.3080 7.5628 118.3232 55.3251 39.1144 173.8066 90 I 4.2949 7.7406 119.6462 59.9036 38.2279 176.4773 91 D 4.4427 8.7924 127.3603 54.9604 41.8282 175.5081 92 I 4.5322 7.9638 122.0801 59.4570 41.2077 174.1727 93 V 4.7927 8.5111 121.0532 59.7757 36.4771 174.3472 94 R 5.1150 9.0136 120.9884 54.6437 32.8690 175.6752 95 V 4.8292 8.9425 122.5172 61.3546 34.0714 176.2148 96 G 4.3366 8.9532 114.7688 45.3263 0.0000 172.3989 97 D 4.9094 7.5898 120.5287 52.1816 40.6578 176.2249 98 V 3.6849 8.0611 124.7015 65.2870 31.7909 177.0246 99 Q 4.0057 8.0683 117.1867 59.4249 28.3656 178.6012 100 R 3.9279 8.2736 120.7014 58.6952 30.0787 178.1362 101 L 3.9380 8.0087 120.1187 58.1503 41.8939 178.7319 102 A 3.9776 8.2221 119.6656 55.2930 18.3589 179.2541 103 A 4.0905 7.8150 118.1857 54.8585 18.4256 179.8247 104 I 3.8910 7.3436 117.5856 62.6475 37.8303 176.9234 105 V 3.8788 8.0953 120.9689 62.7996 29.6310 178.5518 *116 D 4.3492 8.9952 124.4957 54.3893 40.9075 173.9897 117 L 4.7102 8.1915 126.6574 54.9468 42.4671 177.6957 118 H 4.8992 8.8939 118.5317 57.5006 29.9995 174.9013 119 C 5.2225 8.0375 118.4104 57.6548 35.1624 172.5490 120 I 5.1383 8.8823 125.9515 59.5196 40.7632 174.3249 121 L 5.2827 9.0609 125.7649 53.0567 45.1421 175.2989 122 I 5.0006 8.8100 123.2409 59.8812 39.5093 175.2067 123 S 5.2946 8.5779 122.4847 56.3888 66.0194 173.6091 124 N 4.5105 8.9124 120.2922 52.7974 38.8768 173.9804 125 P 4.2836 0.0000 0.0000 61.5928 31.2600 176.1694 126 N 4.7512 8.2890 125.4664 52.7838 35.5695 174.3417 *130 W 4.7434 7.8304 117.2555 56.2300 30.2345 176.5920 131 K 4.5611 8.2263 117.2590 55.0024 32.0914 177.1306 132 D 3.9911 6.8346 118.5904 53.8458 42.8554 173.9013 133 P 4.4305 0.0000 0.0000 65.0814 31.3568 178.6931 134 A 3.8621 7.7404 119.0474 54.8505 18.2189 179.2300 135 L 3.5907 7.4951 118.8569 58.2364 41.9052 179.0775 136 E 3.9149 7.8244 118.1245 59.2243 29.2988 179.3168 137 K 3.9719 7.9053 119.5780 59.5330 32.2192 179.0000 138 L 4.0929 8.0711 119.4332 57.6584 41.3974 179.4268 139 S 4.6439 8.3948 115.0192 60.9110 62.2917 176.2245 140 L 4.0338 8.0694 121.8257 57.5844 41.2694 179.0546 141 F 4.1700 8.5396 120.7954 61.7946 39.3249 177.0668 142 C 4.0329 8.5962 116.3690 62.6082 27.9903 175.7408 143 E 3.9484 8.4406 121.0920 59.2618 29.1336 178.5080 144 E 3.9974 8.5627 119.7620 59.3823 29.6339 178.7870 145 S 3.9735 8.0045 115.3781 61.8308 62.8679 177.0494 146 R 3.9483 8.1832 120.7828 59.0961 29.5805 179.1088 147 S 4.2444 7.8156 112.5110 60.4291 63.1074 175.4189 148 F 4.2847 7.5483 119.9869 56.3080 38.9127 175.0580 149 N 3.1400 7.4196 114.7566 53.8530 36.2125 174.5356 150 D 4.2701 7.3359 119.6803 51.8865 40.3816 175.5562 151 W 4.5982 7.4889 125.4847 58.9147 29.4983 176.8568 152 V 4.5440 7.3256 117.1801 60.2450 31.0722 173.3264 153 P 4.7003 0.0000 0.0000 62.0668 33.3302 175.3326 154 S 5.1804 8.5607 115.1727 57.4462 63.6578 173.0559 155 I 4.5256 8.7433 127.1426 59.8014 39.5818 175.2543 156 T 4.3800 8.2330 122.9434 61.5553 69.2623 174.2566 157 L 4.2335 8.4059 127.8441 53.8702 42.1500 175.6448 158 P 4.4678 0.0000 0.0000 62.1824 32.2582 176.1678 159 E 4.1133 8.5385 117.8307 56.8734 29.3601 177.0461 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 16 T 8.17 4.27 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 1.31 0.00 0.00 17 A 7.86 3.84 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 18 R 8.47 4.00 0.00 2.01 1.90 0.00 3.33 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 19 M 8.65 3.82 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.68 0.00 20 Q 8.54 4.30 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 21 G 8.70 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 22 A 7.80 3.77 0.37 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 23 G 7.69 3.48 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 0.00 24 K 7.94 3.84 0.00 1.77 1.92 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.47 7.81 25 A 8.16 3.90 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 26 L 8.12 3.74 0.00 1.74 1.76 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 27 H 8.29 4.03 0.00 3.26 3.47 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.20 3.87 0.00 2.06 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 2.20 2.26 0.00 29 L 8.16 3.81 0.00 1.60 1.62 0.88 0.05 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 30 L 8.19 4.02 0.00 1.81 1.72 0.96 0.55 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 31 L 7.73 3.96 0.00 1.85 1.70 0.80 0.73 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 32 S 8.55 4.24 0.00 4.07 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 33 A 8.84 3.99 1.52 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 0.00 0.00 34 Q 8.17 3.85 0.00 2.35 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 35 R 8.03 3.91 0.00 1.98 2.16 0.00 3.37 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 36 Q 8.00 4.19 0.00 2.05 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.15 0.00 0.00 0.00 0.00 0.00 1.66 2.00 0.00 37 G 7.85 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 38 C 8.12 4.78 0.00 2.79 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 39 L 8.04 5.21 0.00 1.67 1.57 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.14 4.79 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 1.22 0.00 0.00 41 A 8.64 5.08 1.20 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 0.00 0.00 42 G 9.30 4.20 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 0.00 0.00 0.00 43 V 8.98 3.48 1.55 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 0.53 0.00 0.00 1.00 0.00 0.00 44 Y 7.61 3.94 0.00 3.08 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 45 E 8.28 3.99 0.00 2.13 1.98 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 2.40 2.48 0.00 46 S 8.30 4.08 0.00 4.06 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.06 3.88 1.33 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 0.00 0.00 48 K 7.99 3.83 0.00 1.87 2.00 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 49 V 7.95 3.61 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 0.99 0.00 0.00 0.95 0.00 0.00 50 L 8.02 4.05 0.00 1.68 1.52 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 51 N 7.75 4.08 0.00 2.45 2.90 0.00 0.00 7.34 7.14 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 52 V 7.57 4.00 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 0.86 0.00 0.00 0.94 0.00 0.00 53 D 7.71 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 54 P 0.00 4.49 0.00 2.30 2.68 0.00 3.86 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 55 D 8.29 4.36 0.00 2.93 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 56 N 8.14 4.50 0.00 2.91 2.82 0.00 0.00 6.61 9.06 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 57 V 7.72 4.65 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 0.98 0.00 0.00 0.99 0.00 0.00 58 T 8.85 4.69 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 1.36 0.00 0.00 59 F 8.02 5.04 0.00 3.19 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 60 C 8.53 5.26 0.00 2.94 2.54 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 61 V 8.79 4.71 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 1.04 0.00 0.00 1.15 0.00 0.00 62 L 8.80 4.64 0.00 1.24 0.43 0.60 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.98 5.42 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 64 A 9.07 5.03 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 65 D 9.07 5.25 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 66 E 8.76 4.10 0.00 2.04 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 2.38 2.31 0.00 67 E 8.25 4.04 0.00 2.23 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 2.47 2.57 0.00 68 D 8.89 4.42 0.00 2.86 2.65 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 69 E 8.01 4.15 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 70 G 7.64 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 71 D 7.61 4.58 0.00 2.68 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 72 I 7.95 3.61 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.79 0.89 0.00 0.00 73 A 7.98 3.93 1.33 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 0.00 0.00 74 L 7.82 3.68 0.00 1.77 1.56 0.57 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 7.93 3.73 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 76 I 8.06 3.70 1.92 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 1.67 1.16 0.87 0.00 0.00 77 H 8.32 4.14 0.00 3.29 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 8.57 4.37 0.00 3.23 3.05 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 79 T 8.31 3.96 4.46 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 1.25 0.00 0.00 80 L 8.09 4.05 0.00 1.88 1.74 0.92 0.63 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 81 I 7.95 3.73 2.01 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 1.38 0.72 0.88 0.00 0.00 82 Q 8.61 3.91 0.00 2.09 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 83 A 8.15 3.98 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 84 F 8.36 4.22 0.00 3.27 3.28 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 0.00 85 C 8.58 4.04 0.00 3.11 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 86 C 8.20 3.99 0.00 2.89 2.90 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 87 E 8.44 3.95 0.00 1.92 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 88 N 7.19 4.75 0.00 2.37 2.57 0.00 0.00 7.11 7.92 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 89 D 7.56 4.31 0.00 2.80 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.74 4.29 1.85 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.65 0.91 0.00 0.00 91 D 8.79 4.44 0.00 2.70 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.96 4.53 1.73 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.82 0.91 0.00 0.00 93 V 8.51 4.79 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.08 0.00 0.00 94 R 9.01 5.11 0.00 1.74 1.84 0.00 3.11 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 95 V 8.94 4.83 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 1.07 0.00 0.00 1.02 0.00 0.00 96 G 8.95 4.34 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 0.00 97 D 7.59 4.91 0.00 2.68 2.57 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 98 V 8.06 3.68 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 1.07 0.00 0.00 1.01 0.00 0.00 99 Q 8.07 4.01 0.00 2.33 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.70 0.00 0.00 0.00 0.00 0.00 2.75 2.43 0.00 100 R 8.27 3.93 0.00 2.07 2.14 0.00 3.16 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 101 L 8.01 3.94 0.00 1.84 1.84 0.95 1.06 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 0.00 102 A 8.22 3.98 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 0.00 103 A 7.82 4.09 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 0.00 104 I 7.34 3.89 2.01 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 1.49 0.80 0.85 0.00 0.00 105 V 8.10 3.88 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 0.80 0.00 0.00 0.95 0.00 0.00 *116 D 9.00 4.35 0.00 2.82 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 0.00 117 L 8.19 4.71 0.00 1.62 1.63 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 118 H 8.89 4.90 0.00 3.34 3.73 0.00 5.57 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 C 8.04 5.22 0.00 2.93 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 0.00 120 I 8.88 5.14 1.92 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 1.26 0.69 1.02 0.00 0.00 121 L 9.06 5.28 0.00 1.57 1.58 1.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.81 5.00 2.13 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.25 1.23 0.00 0.00 123 S 8.58 5.29 0.00 3.68 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 0.00 124 N 8.91 4.51 0.00 2.71 2.82 0.00 0.00 6.98 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.28 0.00 1.90 1.78 0.00 3.59 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.09 0.00 126 N 8.29 4.75 0.00 2.62 2.84 0.00 0.00 7.14 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 *130 W 7.83 4.74 0.00 3.46 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 0.00 131 K 8.23 4.56 0.00 1.73 1.74 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.42 7.81 132 D 6.83 3.99 0.00 1.58 1.54 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 0.00 133 P 0.00 4.43 0.00 2.08 2.00 0.00 3.71 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.92 0.00 134 A 7.74 3.86 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 7.50 3.59 0.00 1.39 1.54 0.86 1.27 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 0.00 136 E 7.82 3.91 0.00 2.12 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 2.27 2.43 0.00 137 K 7.91 3.97 0.00 1.80 1.86 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.48 7.81 138 L 8.07 4.09 0.00 1.58 1.63 0.38 0.65 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 0.00 139 S 8.39 4.64 0.00 4.02 4.10 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 0.00 0.00 0.00 0.00 140 L 8.07 4.03 0.00 1.99 1.76 0.94 1.09 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 0.00 141 F 8.54 4.17 0.00 3.14 3.35 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 0.00 142 C 8.60 4.03 0.00 3.26 3.03 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 0.00 143 E 8.44 3.95 0.00 2.18 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 0.00 2.33 2.35 0.00 144 E 8.56 4.00 0.00 2.08 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 2.53 2.58 0.00 145 S 8.00 3.97 0.00 3.79 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 0.00 146 R 8.18 3.95 0.00 2.11 2.25 0.00 3.24 0.00 0.00 3.41 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.95 0.00 147 S 7.82 4.24 0.00 3.90 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 0.00 148 F 7.55 4.28 0.00 2.94 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 0.00 149 N 7.42 3.14 0.00 2.56 2.43 0.00 0.00 6.70 8.02 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 0.00 150 D 7.34 4.27 0.00 2.37 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 0.00 151 W 7.49 4.60 0.00 3.33 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 0.00 152 V 7.33 4.54 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 0.87 0.00 0.00 1.01 0.00 0.00 153 P 0.00 4.70 0.00 2.27 2.01 0.00 3.95 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 2.24 1.81 0.00 154 S 8.56 5.18 0.00 3.94 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 0.00 155 I 8.74 4.53 1.87 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 0.82 0.86 0.79 0.00 0.00 156 T 8.23 4.38 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 1.20 0.00 0.00 157 L 8.41 4.23 0.00 1.64 1.62 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 158 P 0.00 4.47 0.00 2.12 2.00 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 159 E 8.54 4.11 0.00 1.96 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 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.