NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.5438 8.1449 121.6985 56.0634 41.0386 174.2196 2 N 4.0722 8.5831 115.8985 51.2136 34.7250 172.7384 3 S 4.4998 7.6746 108.0266 58.5996 68.7470 176.0416 4 G 3.2575 8.3290 111.4709 46.5952 0.0000 175.3839 5 K 4.0634 8.9728 125.8085 56.1073 33.8260 171.5808 6 L 3.9167 8.3175 130.1449 54.0115 41.2478 175.3113 *9 F 4.5499 8.3879 117.9092 56.8554 40.7141 174.9659 10 V 4.5155 7.4652 120.2527 60.5018 33.7021 175.2275 11 R 3.9640 8.6923 126.7870 56.3996 30.4752 176.3838 12 G 3.7043 8.8048 113.4819 46.8184 0.0000 172.7682 13 N 4.8145 8.5517 121.9749 51.1268 40.1198 174.7926 14 L 4.0558 7.8546 132.4521 54.5115 40.4357 177.3047 *16 R 4.0847 7.5874 117.0027 56.6282 31.9894 176.2923 *18 C 4.8604 7.5245 113.6823 56.7170 42.2938 173.5130 19 I 4.4807 7.2479 128.9305 59.2755 36.6886 174.3415 *22 K 4.9964 8.3855 122.6726 56.4032 33.1419 174.4934 23 C 4.8684 8.3885 116.5059 54.0935 44.1455 173.3292 24 S 4.3584 8.3965 116.0007 57.8142 64.1753 175.4837 25 F 3.2757 8.3731 122.5481 56.9786 37.4483 174.9471 *28 A 4.0347 7.9386 127.6782 51.4962 20.5901 177.8904 29 R 4.1757 8.0371 115.1815 57.0927 30.0468 177.4626 *31 V 4.1915 7.8356 117.7057 62.3498 34.0212 176.7758 32 F 5.1794 7.4546 125.0115 57.1974 38.0966 176.0494 *34 N 4.5199 8.6595 125.5553 54.5768 39.5848 174.5324 35 T 5.5388 8.0342 113.0825 59.5937 68.3256 174.9261 *37 K 4.2380 7.6699 120.9858 57.2868 34.4997 178.1979 38 T 4.4502 7.7014 114.9004 66.6186 68.9069 176.2238 39 N 4.8256 8.2415 115.5108 55.2478 38.6557 175.7000 *41 F 4.6839 7.9103 119.5021 58.0077 40.7196 175.4138 42 W 2.0000 7.3239 130.6940 58.4562 30.8630 177.5758 43 K 4.0324 8.2648 119.9152 58.7631 32.2033 177.6424 44 Q 4.2954 7.5250 116.5359 57.6832 29.6302 176.4993 45 Y 3.9645 7.5680 120.0222 59.7389 38.4978 175.4913 46 V 4.2137 6.8575 114.6302 63.5323 33.7885 174.3362 47 D 4.2202 8.6204 120.3652 54.7071 41.8392 175.4777 48 G 3.8655 8.4232 117.3802 44.7439 0.0000 170.9653 49 D 4.3090 8.6590 127.4986 53.6790 40.3992 178.1668 50 Q 4.1587 8.5418 125.8344 58.3963 29.1725 177.5628 51 C 4.1895 7.8938 115.3801 56.8125 43.4015 172.4015 52 E 3.6739 8.2885 118.8935 58.0283 29.9066 176.2873 53 P 3.5967 0.0000 0.0000 67.7754 28.0153 176.3812 54 N 3.7828 6.8897 115.5813 52.9874 37.0533 172.0443 55 P 4.2823 0.0000 0.0000 65.5774 31.7603 176.2647 56 C 4.5338 8.1858 114.9738 54.7480 41.7774 172.8073 57 L 4.3408 8.0946 127.7780 55.8471 42.8772 174.9316 58 N 3.6811 9.3128 110.4033 55.1594 35.5931 174.4973 59 G 3.9507 8.1564 100.5684 46.0459 0.0000 173.5361 60 G 3.7910 7.9640 106.6281 46.2871 0.0000 173.8876 61 L 4.6105 9.3802 124.0178 53.1187 42.9750 175.0294 62 C 4.9495 8.0038 125.0017 55.9825 45.6316 172.5978 63 K 4.4010 8.2846 125.9624 54.5108 35.8234 174.3162 *65 D 4.8076 8.3889 122.2245 53.7790 42.0966 175.1192 66 I 3.8669 8.4641 120.3622 64.5840 37.0622 177.1559 67 N 4.6974 8.1253 115.3659 54.9118 39.8864 175.7936 68 S 5.0782 7.3873 115.2903 59.0326 64.3102 172.4824 69 Y 4.7022 7.4743 116.3220 56.9200 39.8039 172.8542 70 E 4.4258 8.2328 118.8568 55.7385 33.2659 172.9633 71 C 5.2340 8.7911 115.5031 56.2788 42.9291 173.5095 72 W 4.9850 9.2673 124.3703 55.4889 30.3323 176.2195 73 C 5.0389 9.0309 120.9627 55.9216 41.9688 175.8982 74 Q 3.5450 9.0184 121.9815 56.4689 26.8500 175.9734 75 V 4.3999 8.7026 117.6023 61.9433 35.1929 176.0528 76 G 3.5712 9.2790 109.0719 45.6146 0.0000 172.8081 77 F 5.2594 7.6770 116.8345 55.6616 42.7831 173.3282 78 E 4.6665 9.9969 126.0656 54.4033 32.6698 175.1984 79 G 4.1208 8.7355 106.8960 45.5797 0.0000 174.7694 80 K 3.7095 8.5599 121.1125 58.7720 32.3557 177.2119 81 N 4.9896 8.8243 115.4984 52.2139 40.3531 173.8448 82 C 4.7147 8.6686 114.3165 58.3605 38.4222 173.1861 83 E 4.4010 7.9913 118.6334 58.1947 31.1842 178.9560 84 L 4.3631 7.8016 119.2381 54.7508 42.9360 176.4848 85 D 5.1697 8.6536 121.5370 53.5046 42.4583 175.8824 86 A 4.3851 8.2715 124.4373 51.6871 19.8523 176.7545 87 T 4.6020 8.3469 112.6489 59.5973 71.0334 176.1329 88 C 4.2068 8.8890 122.0153 59.2237 40.5189 174.3576 89 N 4.3069 7.9522 116.2730 53.3765 38.0573 175.1305 90 I 3.9780 7.6640 113.1267 60.0139 38.4026 175.4825 91 K 3.9006 9.0240 127.3588 58.8456 28.8379 174.7549 92 N 4.0649 8.9934 111.6017 54.0514 38.1643 174.8423 93 G 3.8546 8.1502 101.3258 45.5992 0.0000 175.4520 94 R 4.0854 8.4748 117.5803 56.0613 28.8714 175.9431 95 C 4.6416 7.4391 115.2795 56.2676 40.8281 173.9814 96 K 3.9221 9.1541 125.0493 58.1280 33.3222 177.1441 97 Q 4.2692 8.1824 112.2148 55.8453 30.6396 176.1670 98 F 5.3983 5.4920 121.7165 56.3600 42.6087 173.2753 99 C 5.5894 8.8874 116.9195 53.7477 43.0769 173.4512 100 K 4.8219 8.7685 119.6134 55.0717 36.3038 176.2240 101 T 4.3989 8.7355 120.3342 63.0557 69.7094 174.3958 102 G 4.0416 8.4056 111.3268 46.6170 0.0000 174.4719 103 A 3.9035 8.7829 122.0965 52.6614 18.3082 177.4809 104 D 4.4225 7.2368 117.6111 53.8952 44.1241 178.1781 105 S 4.6353 8.8175 111.7712 57.4330 64.7101 174.1412 106 K 4.1536 8.1020 120.2107 55.8927 33.2498 176.8869 107 V 4.0672 7.3176 112.9952 61.8943 32.9746 175.6339 108 L 4.1666 7.9188 121.0594 55.0254 45.1170 174.0827 109 C 5.1883 8.7842 124.8812 56.7087 43.2489 172.0421 110 S 4.5649 8.2437 113.3999 58.7388 66.2207 173.7804 111 C 4.9855 8.4544 116.4017 55.3734 45.5496 174.4173 112 T 4.3587 8.8749 111.1986 60.8110 69.3287 174.2738 113 T 4.0055 8.5114 112.3787 63.3327 68.9459 172.7253 114 G 4.0417 8.9996 116.8439 45.6920 0.0000 173.0568 115 Y 5.0678 8.1331 116.4236 56.2961 40.1510 175.5684 116 R 4.7755 9.2781 117.1700 54.0970 33.4785 174.1722 117 L 4.6346 8.4929 122.6046 54.6534 42.8297 176.4692 118 A 4.3056 9.0524 128.7465 51.2898 19.3815 176.5292 119 P 4.3259 0.0000 0.0000 64.9825 31.4529 177.7861 120 D 4.4336 7.9670 116.2285 53.9562 39.8041 176.8409 121 Q 3.8325 8.4485 117.8756 56.5119 26.5745 174.0396 122 K 4.6098 9.0891 116.9927 56.1080 36.3560 176.5732 123 S 4.9240 8.3270 115.3928 57.1806 65.8718 173.6049 124 C 5.5314 8.5427 117.9195 55.2781 40.9473 173.8633 125 K 4.8548 9.0219 123.3061 53.6521 35.0139 174.3267 126 P 4.0431 0.0000 0.0000 62.7250 32.3567 176.2583 127 A 4.6109 7.4491 120.8501 50.1184 19.3836 177.2694 128 V 4.0386 7.6277 115.2519 61.4991 33.6667 171.2043 129 P 3.9877 0.0000 0.0000 65.1445 30.8335 176.0642 130 F 4.5994 7.2804 115.6987 54.4644 39.2652 172.7491 131 P 4.3914 0.0000 0.0000 61.4561 32.1096 176.3888 132 C 4.2363 8.5882 116.0999 59.6762 30.0259 173.8602 133 G 3.9483 8.9885 109.9856 46.1656 0.0000 172.8272 134 R 4.6152 7.8917 118.1007 53.5076 31.1321 176.1475 135 V 3.7483 8.3207 122.5479 61.9085 31.7189 177.0085 136 S 4.4585 8.7567 122.2817 61.1611 62.7206 176.8620 137 V 3.6700 7.7327 113.9862 64.5024 31.4008 178.3007 138 S 4.2627 7.8680 113.2163 61.8367 62.9836 176.0103 139 H 4.6855 7.3423 117.0808 57.4167 28.4740 176.1039 140 S 4.4419 7.5511 116.3695 58.2972 63.1485 172.7800 141 P 4.4439 0.0000 0.0000 65.7818 32.2510 177.6682 142 T 4.6818 7.3000 112.3894 62.7149 70.4165 170.9136 143 T 4.7926 8.4528 113.3965 60.1963 72.4651 172.9270 144 L 4.6019 7.9284 120.4836 54.0648 44.7973 175.6329 145 T 4.0571 8.3845 121.4575 63.4015 67.8462 174.9305 146 R 4.1593 8.4109 122.3324 56.2097 29.8123 176.5245 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 1 Y 8.14 4.54 0.00 2.96 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 2 N 8.58 4.07 0.00 3.10 2.92 0.00 0.00 6.73 6.72 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 3 S 7.67 4.50 0.00 3.52 3.40 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 4 G 8.33 3.26 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 0.00 5 K 8.97 4.06 0.00 1.65 1.67 0.00 1.89 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.23 1.37 7.81 6 L 8.32 3.92 0.00 1.75 1.54 0.84 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 *9 F 8.39 4.55 0.00 3.00 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 10 V 7.47 4.52 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 0.79 0.00 0.00 1.00 0.00 0.00 11 R 8.69 3.96 0.00 1.87 1.84 0.00 3.31 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 12 G 8.80 3.70 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 0.00 0.00 0.00 13 N 8.55 4.81 0.00 2.62 2.69 0.00 0.00 7.03 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 14 L 7.85 4.06 0.00 1.27 1.25 0.77 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 *16 R 7.59 4.08 0.00 1.83 2.18 0.00 3.34 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 *18 C 7.52 4.86 0.00 3.26 3.30 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 19 I 7.25 4.48 1.81 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.53 0.77 0.00 0.00 *22 K 8.39 5.00 0.00 1.70 1.98 0.00 1.83 0.00 0.00 2.45 0.00 0.00 3.22 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.54 1.33 7.81 23 C 8.39 4.87 0.00 3.12 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.40 4.36 0.00 3.80 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 25 F 8.37 3.28 0.00 2.53 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 *28 A 7.94 4.03 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 29 R 8.04 4.18 0.00 2.18 2.05 0.00 3.38 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 *31 V 7.84 4.19 1.79 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 0.78 0.00 0.00 0.81 0.00 0.00 32 F 7.45 5.18 0.00 3.25 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 *34 N 8.66 4.52 0.00 2.81 2.81 0.00 0.00 6.43 7.08 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 35 T 8.03 5.54 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 1.33 0.00 0.00 *37 K 7.67 4.24 0.00 1.77 1.72 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.21 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.45 7.81 38 T 7.70 4.45 4.73 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 1.58 0.00 0.00 39 N 8.24 4.83 0.00 3.06 2.95 0.00 0.00 6.88 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 *41 F 7.91 4.68 0.00 2.96 3.43 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 42 W 7.32 2.00 0.00 4.08 3.32 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 43 K 8.26 4.03 0.00 1.96 2.03 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.63 1.38 7.81 44 Q 7.52 4.30 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.99 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 45 Y 7.57 3.96 0.00 2.10 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 0.00 0.00 0.00 0.00 46 V 6.86 4.21 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 0.86 0.00 0.00 0.59 0.00 0.00 47 D 8.62 4.22 0.00 2.66 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 48 G 8.42 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 49 D 8.66 4.31 0.00 2.65 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 50 Q 8.54 4.16 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.45 0.00 0.00 0.00 0.00 0.00 2.35 2.25 0.00 51 C 7.89 4.19 0.00 2.87 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.29 3.67 0.00 1.97 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 0.00 2.27 2.27 0.00 53 P 0.00 3.60 0.00 2.10 2.25 0.00 3.67 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.02 0.00 54 N 6.89 3.78 0.00 2.66 2.93 0.00 0.00 7.51 7.65 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 55 P 0.00 4.28 0.00 2.46 2.04 0.00 3.68 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 2.01 1.37 0.00 56 C 8.19 4.53 0.00 3.13 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 57 L 8.09 4.34 0.00 1.70 1.81 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 58 N 9.31 3.68 0.00 2.08 1.42 0.00 0.00 6.44 7.12 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 59 G 8.16 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.96 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 61 L 9.38 4.61 0.00 1.62 1.55 1.11 0.77 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 62 C 8.00 4.95 0.00 3.08 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.28 4.40 0.00 0.91 1.07 0.00 1.06 0.00 0.00 1.46 0.00 0.00 2.71 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.14 1.01 7.81 *65 D 8.39 4.81 0.00 2.81 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 66 I 8.46 3.87 1.91 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 1.51 0.72 0.95 0.00 0.00 67 N 8.13 4.70 0.00 2.71 2.88 0.00 0.00 6.84 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 68 S 7.39 5.08 0.00 3.95 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 69 Y 7.47 4.70 0.00 3.16 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 70 E 8.23 4.43 0.00 2.02 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 2.22 2.46 0.00 71 C 8.79 5.23 0.00 3.03 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 72 W 9.27 4.99 0.00 3.36 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 C 9.03 5.04 0.00 3.15 3.25 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 74 Q 9.02 3.55 0.00 2.31 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 75 V 8.70 4.40 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 0.90 0.00 0.00 76 G 9.28 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 77 F 7.68 5.26 0.00 3.07 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 78 E 10.00 4.67 0.00 1.98 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 2.20 2.28 0.00 79 G 8.74 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 80 K 8.56 3.71 0.00 1.76 1.89 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.49 7.81 81 N 8.82 4.99 0.00 2.79 2.76 0.00 0.00 7.10 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 82 C 8.67 4.71 0.00 3.06 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 83 E 7.99 4.40 0.00 1.85 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 2.25 2.48 0.00 84 L 7.80 4.36 0.00 1.66 1.63 0.95 1.23 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 85 D 8.65 5.17 0.00 2.55 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 86 A 8.27 4.39 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 8.35 4.60 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 1.20 0.00 0.00 88 C 8.89 4.21 0.00 2.97 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 89 N 7.95 4.31 0.00 2.84 2.93 0.00 0.00 6.90 7.84 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 90 I 7.66 3.98 1.87 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 0.69 0.91 0.00 0.00 91 K 9.02 3.90 0.00 1.92 1.84 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.43 1.34 7.81 92 N 8.99 4.06 0.00 2.89 2.78 0.00 0.00 7.26 8.25 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 93 G 8.15 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 94 R 8.47 4.09 0.00 1.94 2.15 0.00 3.31 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 95 C 7.44 4.64 0.00 2.97 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 96 K 9.15 3.92 0.00 1.82 1.72 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.39 7.81 97 Q 8.18 4.27 0.00 1.58 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.41 5.92 0.00 0.00 0.00 0.00 0.00 1.77 2.01 0.00 98 F 5.49 5.40 0.00 2.90 2.81 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 0.00 0.00 0.00 99 C 8.89 5.59 0.00 2.92 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.77 4.82 0.00 1.70 1.67 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.42 7.81 101 T 8.74 4.40 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 1.22 0.00 0.00 102 G 8.41 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.78 3.90 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 7.24 4.42 0.00 2.72 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 0.00 0.00 0.00 105 S 8.82 4.64 0.00 3.82 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 0.00 106 K 8.10 4.15 0.00 1.75 1.78 0.00 1.14 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.32 7.81 107 V 7.32 4.07 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 0.64 0.00 0.00 0.91 0.00 0.00 108 L 7.92 4.17 0.00 1.53 1.68 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 109 C 8.78 5.19 0.00 2.94 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 0.00 110 S 8.24 4.56 0.00 3.89 3.97 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 0.00 111 C 8.45 4.99 0.00 2.76 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 0.00 112 T 8.87 4.36 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 1.15 0.00 0.00 113 T 8.51 4.01 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 1.26 0.00 0.00 114 G 9.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 8.13 5.07 0.00 2.80 2.85 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 0.00 116 R 9.28 4.78 0.00 1.79 1.98 0.00 2.76 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.54 0.00 117 L 8.49 4.63 0.00 1.65 1.62 1.03 1.01 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 0.00 118 A 9.05 4.31 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 0.00 119 P 0.00 4.33 0.00 2.06 2.13 0.00 3.68 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 2.03 2.07 0.00 120 D 7.97 4.43 0.00 2.77 2.79 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 0.00 121 Q 8.45 3.83 0.00 2.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 122 K 9.09 4.61 0.00 1.66 1.89 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.55 7.81 123 S 8.33 4.92 0.00 3.75 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 0.00 124 C 8.54 5.53 0.00 2.69 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 0.00 125 K 9.02 4.85 0.00 1.65 1.65 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.38 7.81 126 P 0.00 4.04 0.00 1.73 1.65 0.00 3.64 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 1.87 1.72 0.00 127 A 7.45 4.61 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 0.00 128 V 7.63 4.04 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 0.69 0.00 0.00 0.98 0.00 0.00 129 P 0.00 3.99 0.00 1.81 2.09 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 130 F 7.28 4.60 0.00 3.16 3.01 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 0.00 0.00 0.00 131 P 0.00 4.39 0.00 1.69 1.00 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.94 0.00 132 C 8.59 4.24 0.00 3.18 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 0.00 133 G 8.99 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 R 7.89 4.62 0.00 1.90 2.00 0.00 3.28 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 135 V 8.32 3.75 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 0.72 0.00 0.00 0.89 0.00 0.00 136 S 8.76 4.46 0.00 4.00 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 0.00 137 V 7.73 3.67 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 0.79 0.00 0.00 0.93 0.00 0.00 138 S 7.87 4.26 0.00 3.71 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 0.00 139 H 7.34 4.69 0.00 3.32 3.32 0.00 5.65 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 0.00 140 S 7.55 4.44 0.00 3.91 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 0.00 141 P 0.00 4.44 0.00 2.18 2.17 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 142 T 7.30 4.68 4.24 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 0.00 0.00 1.21 0.00 0.00 143 T 8.45 4.79 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 144 L 7.93 4.60 0.00 1.58 1.53 0.95 0.92 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 0.00 145 T 8.38 4.06 4.24 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 0.00 0.00 1.21 0.00 0.00 146 R 8.41 4.16 0.00 1.92 1.91 0.00 3.07 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.