NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2357 8.1749 110.9363 61.5686 70.0144 173.2058 3 I 4.4467 7.7785 124.5178 58.3667 39.5974 173.0098 *5 L 4.0653 8.9300 121.2759 55.4073 43.2380 176.6283 6 T 4.8447 8.4756 120.9804 60.2020 71.4719 173.3486 7 P 5.3783 0.0000 0.0000 61.8670 33.4600 176.3608 *9 Q 4.1554 8.6872 117.0874 55.2527 29.9042 175.6630 10 T 3.9716 8.5434 110.3160 65.5189 67.6918 176.1164 11 E 4.0205 8.1523 120.3807 59.3085 29.6115 178.8651 12 E 4.0301 8.1800 117.8666 59.7381 29.5789 178.4663 13 F 4.3601 8.4224 120.3057 61.9346 39.3503 177.0693 14 R 3.5246 7.8570 116.7935 59.7309 30.1823 179.3573 15 S 4.1372 7.7380 113.3002 61.4261 62.7130 176.2285 16 Y 3.9309 8.5521 122.8241 60.3728 38.5167 177.2840 17 L 3.2947 8.2118 122.3627 58.5395 41.9842 179.1343 18 T 3.7160 7.4750 115.1746 66.9701 68.2960 175.6200 19 Y 3.8239 7.6209 121.1143 60.4982 38.7696 177.5191 20 T 3.6548 8.1725 113.9051 65.4983 67.5136 176.1072 21 T 3.6715 7.3992 118.9845 65.9240 68.3420 176.4642 22 K 3.9711 7.6727 120.9663 59.6340 32.1696 178.3743 23 H 4.0606 8.1718 118.7339 59.2955 29.7182 176.6080 24 Y 4.2475 8.9466 121.6134 60.6825 38.6570 177.9490 25 A 4.2302 8.1733 121.3446 55.2515 18.5480 179.2379 26 E 3.8079 7.8900 117.8282 59.3348 29.5687 178.9767 27 E 3.4439 7.7709 118.7076 58.9874 29.3653 179.4227 28 K 3.4421 7.6300 118.8790 59.0353 31.9092 179.6889 29 V 4.2578 7.6610 119.9779 65.3762 31.2396 178.1865 30 K 3.7810 7.6490 116.9400 59.4588 31.9877 178.9991 31 A 4.1799 7.7043 119.3876 53.3950 18.3553 178.5471 32 G 3.9331 7.8157 105.1181 45.5972 0.0000 174.9443 33 T 4.0134 7.7525 116.4994 65.8289 68.8438 174.6588 34 W 5.1297 7.5436 120.3373 54.4956 32.0534 175.2468 35 L 4.4653 8.4140 121.7249 53.6897 42.6891 176.2420 36 P 4.2633 0.0000 0.0000 66.1035 31.1811 178.7644 37 E 3.7065 8.2301 113.8200 59.0725 29.6212 178.2683 38 D 4.4306 8.0660 119.0386 58.3059 41.4404 179.7657 39 A 3.8768 8.5919 119.1965 53.6662 19.0595 178.9533 40 Q 4.0025 8.1201 114.3439 58.9824 28.8633 179.4747 41 L 3.9268 7.7205 120.3983 58.3098 42.3457 178.8312 42 L 3.6181 7.6371 118.3446 57.7010 41.0679 179.4706 43 S 4.6906 8.2875 112.9993 61.6159 62.3858 176.3664 44 K 4.2278 7.9579 121.3577 59.4909 31.7227 179.3561 45 Q 3.9838 7.8617 118.2286 58.9274 28.6813 178.7681 46 V 3.5591 7.6719 118.7058 66.4312 31.5588 178.2245 47 F 4.2197 8.0863 116.4822 60.4617 38.4493 178.0400 48 T 4.0126 8.0577 115.4332 66.7475 68.4320 176.4311 49 D 4.5069 8.5885 119.9745 57.2346 40.8680 178.5157 50 L 4.2635 7.9739 118.9026 55.9577 42.9732 177.2753 51 L 4.6582 7.6957 118.6498 51.6610 41.8082 174.9050 52 P 4.3444 0.0000 0.0000 65.5503 32.0709 177.9064 53 R 4.4562 8.0282 115.3665 55.6893 31.4882 177.9448 54 G 3.8568 7.3794 112.4466 46.7627 0.0000 178.7412 55 L 3.4834 7.8522 125.4713 56.4031 41.3361 177.0793 56 E 4.1625 7.6365 116.7765 56.4002 29.6734 176.4233 57 T 3.9631 7.5784 117.8356 62.3277 68.1159 172.2461 58 P 4.1465 0.0000 0.0000 64.7424 31.7150 176.5548 59 H 4.4509 8.8495 116.2022 56.2161 27.2404 174.2593 60 H 5.2067 7.5480 116.2947 55.2997 30.1003 175.0397 61 H 4.3076 9.3875 118.8076 54.0964 31.7927 172.1252 62 L 4.9541 7.8504 123.8180 52.6259 43.8763 175.8758 63 W 5.2749 9.7373 124.0338 54.8503 33.3805 174.4030 64 S 5.1565 9.5717 118.1890 56.9095 64.9090 172.9998 65 L 4.6623 8.8341 125.2300 53.9231 42.7395 175.8954 66 K 4.7949 8.5438 122.8380 54.6178 34.9220 176.9036 67 L 4.0625 8.6016 125.6283 56.6722 42.7008 175.5131 68 N 4.5307 7.1141 113.5644 52.3853 39.2960 174.4520 69 E 4.3172 8.8181 116.0009 57.7500 29.4968 177.3227 70 K 4.2814 8.1123 117.2782 57.7732 34.5345 176.3745 71 D 4.5520 8.9166 121.6679 52.6878 40.0111 176.0526 72 I 4.4775 7.8358 126.7154 59.7726 36.4616 176.2621 73 V 3.2572 8.0487 120.3503 64.0277 32.4373 176.0094 74 G 3.8242 7.5013 106.8362 45.9677 0.0000 172.2999 75 W 5.8957 7.2600 118.1372 55.1801 32.5784 174.5898 76 L 5.1013 9.1310 122.3665 53.9990 45.8099 173.9750 77 W 5.7373 10.2657 135.0000 55.8454 33.6340 173.8293 78 I 5.2440 9.2557 120.4801 59.3854 40.9663 173.7019 79 H 5.3901 9.7522 123.0291 54.4870 32.7265 172.6281 80 A 4.7488 8.0490 126.9704 49.2820 17.9149 175.1814 81 E 3.7866 8.0643 120.2944 53.9166 31.2246 175.8187 82 P 4.1029 0.0000 0.0000 64.1850 32.2169 176.6708 83 E 3.7184 8.7942 123.9065 57.3887 27.1213 175.0845 84 H 4.2514 7.7250 118.9354 55.1931 30.9685 173.9031 85 P 4.2947 0.0000 0.0000 65.4073 30.9584 176.6893 86 Q 4.5409 8.0662 115.9463 54.8937 30.1629 174.4351 87 Q 3.2896 8.3956 117.6289 56.8807 28.1389 173.2613 88 E 4.7863 7.7518 114.6310 55.6103 31.2051 175.1488 89 A 4.8112 8.6316 123.7120 50.5321 23.0772 174.9272 90 F 4.9020 9.2458 124.4174 57.1082 41.5274 175.1683 91 I 4.2568 7.5764 127.7183 60.0598 35.9398 175.0768 92 Y 3.9888 7.9377 125.4611 60.6621 38.5555 176.0020 93 D 5.0255 8.3132 116.2466 53.5726 45.4382 174.3612 94 F 5.2379 8.4497 125.2831 56.9379 42.6462 173.1430 95 G 2.9606 5.5228 112.6740 46.0085 0.0000 171.5145 96 L 4.5648 7.2946 118.7963 52.2563 44.9027 176.5433 97 Y 4.6186 8.8808 118.6640 57.6994 38.9835 176.5524 98 E 4.0155 9.5197 124.0779 59.1924 29.5328 177.5396 99 P 4.3602 0.0000 0.0000 64.6429 31.1906 175.9846 100 Y 4.9365 8.2930 116.3302 57.9306 38.7978 175.6508 101 R 4.2548 7.9910 119.5600 56.5202 31.2020 176.0598 102 G 3.8804 8.7822 105.4805 46.7066 0.0000 174.5209 103 K 4.2029 7.8242 116.3895 54.7384 33.8386 177.4889 104 G 3.8777 8.1068 107.2186 45.9691 0.0000 174.9487 105 Y 4.4056 7.5100 119.0458 60.3957 37.8181 177.6713 106 A 4.2351 8.1110 121.6364 55.2617 18.6426 179.3507 107 K 3.9102 8.0701 117.3993 59.9244 32.4356 178.8523 108 Q 4.0495 7.9464 116.9930 58.8497 28.4646 178.6010 109 A 4.0775 8.8464 122.6960 54.7514 18.3679 179.2513 110 L 3.7252 7.9781 118.6921 57.6013 42.2752 178.6736 111 A 4.0683 7.8483 120.1940 54.4205 18.4230 179.1780 112 A 3.9785 7.7424 118.8272 54.3795 18.4420 179.6424 113 L 3.6882 7.3765 119.5367 58.4049 42.2196 178.6456 114 D 4.2899 7.7316 118.3715 57.4713 40.8492 178.6499 115 Q 3.8701 7.8502 119.1514 59.1315 28.7854 178.4152 116 A 3.7765 7.7223 120.0852 54.9542 18.6978 178.9590 117 A 4.1157 8.2587 119.6831 55.5796 18.2412 179.8733 118 R 4.0489 7.7959 115.1187 59.3141 30.2739 181.0212 119 S 4.3119 7.6677 112.4052 58.4219 63.1162 175.5654 *121 G 3.9247 8.1288 112.5213 46.2116 0.0000 174.3839 122 I 3.8854 7.4265 120.5715 62.2085 37.2916 175.8937 123 R 4.5636 8.7384 123.4418 56.2281 31.6849 176.0914 124 K 4.6062 7.7317 119.2231 54.9025 35.8955 174.2368 125 L 5.3664 8.3705 124.5833 53.0538 44.7080 175.7611 126 S 4.9692 8.9131 116.7356 56.8164 66.2034 172.4193 127 L 3.4846 8.0937 123.5824 54.9508 43.0529 173.4468 128 H 4.8304 8.1969 118.8970 54.0742 32.2034 173.3546 129 V 4.3790 7.4697 124.3059 59.4653 34.2291 175.2025 130 F 4.0529 8.6522 122.5730 57.0348 39.5036 175.7767 131 A 4.0295 8.9977 128.7224 55.7641 18.1316 178.6863 132 H 4.3811 8.0832 109.2646 58.2460 29.6492 176.5463 133 N 4.7819 8.1805 120.8951 52.0304 34.6249 175.0905 134 Q 4.0042 7.8996 125.3797 59.8493 29.7289 177.7109 135 T 3.8689 7.9493 115.7620 66.4529 68.4676 176.4027 136 A 3.7060 7.8855 122.1731 55.1204 18.4806 179.5550 137 R 4.0699 8.0860 116.5952 59.6155 30.1681 179.4816 138 K 3.9932 8.1417 118.0820 59.1952 32.0273 179.1714 139 L 3.8751 7.7709 120.6054 58.4803 41.9430 178.7202 140 Y 4.3791 7.9791 117.0254 61.1846 37.7590 178.4439 141 E 4.6155 8.6540 121.3156 59.1610 29.3485 179.4506 142 Q 4.1511 8.5133 117.9406 58.5768 28.7591 177.7029 143 T 4.4536 7.7185 108.9655 61.7403 69.1830 175.6239 144 G 3.9422 7.9625 109.0929 45.4248 0.0000 174.3487 145 F 4.2704 8.6884 119.7773 57.1026 39.7002 174.6098 146 Q 4.8731 8.3551 122.3572 53.7907 31.9270 175.2340 147 E 4.2354 8.7742 121.4097 56.6030 30.2365 176.6839 148 T 4.4929 8.5962 112.1315 62.1829 71.0173 174.0902 149 D 4.8865 7.8897 119.3267 51.9964 44.3484 175.0369 150 V 4.2255 8.2085 121.5189 61.1987 33.8974 175.1988 151 V 4.0606 8.1749 126.8742 61.2385 33.2826 174.3778 *153 S 4.3038 8.0599 115.8858 58.0867 63.7425 173.1625 154 K 4.5179 8.1187 121.1003 54.9655 34.8629 175.9320 155 K 4.3746 8.5647 125.4203 55.8256 33.1873 176.0501 156 L 4.7767 7.9733 120.6552 52.4584 44.0185 176.7108 157 L 3.9556 8.4512 121.0627 56.4241 42.2165 177.4200 158 E 4.1315 8.8144 119.9917 57.0727 29.6753 174.7816 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 T 8.17 4.24 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 1.19 0.00 0.00 3 I 7.78 4.45 1.82 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.24 0.85 0.00 0.00 *5 L 8.93 4.07 0.00 1.11 0.90 0.70 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.48 4.84 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 1.27 0.00 0.00 7 P 0.00 5.38 0.00 2.08 1.93 0.00 3.53 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 *9 Q 8.69 4.16 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.82 0.00 0.00 0.00 0.00 0.00 2.47 2.33 0.00 10 T 8.54 3.97 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 1.23 0.00 0.00 11 E 8.15 4.02 0.00 2.11 2.06 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 2.42 2.48 0.00 12 E 8.18 4.03 0.00 2.24 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 0.00 2.46 2.42 0.00 13 F 8.42 4.36 0.00 3.01 3.07 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 0.00 0.00 0.00 14 R 7.86 3.52 0.00 1.81 1.88 0.00 3.20 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.91 0.00 15 S 7.74 4.14 0.00 4.08 3.93 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 16 Y 8.55 3.93 0.00 3.01 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 17 L 8.21 3.29 0.00 1.01 1.40 0.54 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.48 3.72 4.16 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 1.15 0.00 0.00 19 Y 7.62 3.82 0.00 3.03 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 20 T 8.17 3.65 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 0.13 0.00 0.00 21 T 7.40 3.67 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 1.26 0.00 0.00 22 K 7.67 3.97 0.00 1.76 1.89 0.00 1.55 0.00 0.00 1.50 0.00 0.00 2.72 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.39 7.81 23 H 8.17 4.06 0.00 3.09 3.43 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.95 4.25 0.00 3.59 3.55 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 25 A 8.17 4.23 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 26 E 7.89 3.81 0.00 1.93 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 2.15 2.26 0.00 27 E 7.77 3.44 0.00 1.35 1.12 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 2.15 2.43 0.00 28 K 7.63 3.44 0.00 1.41 0.94 0.00 0.61 0.00 0.00 1.08 0.00 0.00 2.52 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.30 0.21 7.81 29 V 7.66 4.26 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 1.24 0.00 0.00 1.13 0.00 0.00 30 K 7.65 3.78 0.00 1.50 1.45 0.00 1.61 0.00 0.00 1.45 0.00 0.00 2.71 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.54 7.81 31 A 7.70 4.18 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 32 G 7.82 3.93 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 0.00 0.00 0.00 33 T 7.75 4.01 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 1.01 0.00 0.00 34 W 7.54 5.13 0.00 3.38 2.86 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 35 L 8.41 4.47 0.00 1.72 1.77 1.04 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.26 0.00 2.15 2.14 0.00 3.63 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 37 E 8.23 3.71 0.00 2.10 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 0.00 2.27 2.34 0.00 38 D 8.07 4.43 0.00 2.70 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 39 A 8.59 3.88 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 0.00 0.00 40 Q 8.12 4.00 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 41 L 7.72 3.93 0.00 1.74 1.68 0.89 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.64 3.62 0.00 0.43 0.13 -0.38 0.21 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 43 S 8.29 4.69 0.00 4.48 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 44 K 7.96 4.23 0.00 1.83 1.88 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.52 7.81 45 Q 7.86 3.98 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 46 V 7.67 3.56 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 0.63 0.00 0.00 1.29 0.00 0.00 47 F 8.09 4.22 0.00 3.20 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 48 T 8.06 4.01 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 1.24 0.00 0.00 49 D 8.59 4.51 0.00 2.59 2.73 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 50 L 7.97 4.26 0.00 1.71 1.69 0.29 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.70 4.66 0.00 2.02 1.60 0.66 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.34 0.00 2.03 2.11 0.00 3.65 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 2.03 2.25 0.00 53 R 8.03 4.46 0.00 1.78 1.88 0.00 3.24 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 54 G 7.38 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 55 L 7.85 3.48 0.00 1.30 1.40 0.78 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.64 4.16 0.00 2.05 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 2.22 2.20 0.00 57 T 7.58 3.96 4.16 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 1.29 0.00 0.00 58 P 0.00 4.15 0.00 1.92 1.98 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 59 H 8.85 4.45 0.00 3.49 3.53 0.00 5.61 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 H 7.55 5.21 0.00 3.17 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 H 9.39 4.31 0.00 2.15 1.71 0.00 5.78 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.85 4.95 0.00 1.24 1.25 0.22 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 63 W 9.74 5.27 0.00 3.36 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 64 S 9.57 5.16 0.00 3.95 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 65 L 8.83 4.66 0.00 1.67 1.61 1.00 0.65 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 66 K 8.54 4.79 0.00 1.62 1.82 0.00 1.64 0.00 0.00 1.89 0.00 0.00 2.76 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.39 7.81 67 L 8.60 4.06 0.00 1.09 1.39 0.82 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 68 N 7.11 4.53 0.00 2.89 2.84 0.00 0.00 6.31 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 69 E 8.82 4.32 0.00 1.97 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 0.00 2.30 2.27 0.00 70 K 8.11 4.28 0.00 1.76 1.81 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.51 7.81 71 D 8.92 4.55 0.00 2.54 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 0.00 0.00 0.00 0.00 72 I 7.84 4.48 1.85 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 1.41 0.48 1.11 0.00 0.00 73 V 8.05 3.26 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 -0.01 0.00 0.00 0.81 0.00 0.00 74 G 7.50 3.82 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 0.00 0.00 0.00 75 W 7.26 5.90 0.00 3.23 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 76 L 9.13 5.10 0.00 2.00 1.99 1.17 1.21 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 77 W 10.27 5.74 0.00 3.42 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 78 I 9.26 5.24 2.09 0.00 0.00 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 1.34 0.91 1.21 0.00 0.00 79 H 9.75 5.39 0.00 3.56 3.34 0.00 5.72 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 80 A 8.05 4.75 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 81 E 8.06 3.79 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 2.42 2.59 0.00 82 P 0.00 4.10 0.00 2.18 2.07 0.00 3.94 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 2.00 2.02 0.00 83 E 8.79 3.72 0.00 2.05 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 2.24 2.22 0.00 84 H 7.73 4.25 0.00 3.15 3.14 0.00 5.69 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 85 P 0.00 4.29 0.00 2.20 2.16 0.00 3.30 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.89 0.00 86 Q 8.07 4.54 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 87 Q 8.40 3.29 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.90 0.00 0.00 0.00 0.00 0.00 2.60 2.25 0.00 88 E 7.75 4.79 0.00 1.75 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 2.24 2.26 0.00 89 A 8.63 4.81 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 90 F 9.25 4.90 0.00 2.84 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 91 I 7.58 4.26 1.34 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.52 0.84 0.00 0.00 92 Y 7.94 3.99 0.00 1.43 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 0.00 0.00 0.00 93 D 8.31 5.03 0.00 3.33 3.24 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 0.00 94 F 8.45 5.24 0.00 3.11 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 95 G 5.52 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 0.00 0.00 0.00 96 L 7.29 4.56 0.00 1.35 1.52 0.60 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 8.88 4.62 0.00 3.42 3.14 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 98 E 9.52 4.02 0.00 2.17 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 0.00 2.45 2.43 0.00 99 P 0.00 4.36 0.00 1.70 2.02 0.00 3.85 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.92 0.00 100 Y 8.29 4.94 0.00 3.29 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 0.00 101 R 7.99 4.25 0.00 1.88 1.88 0.00 3.28 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 102 G 8.78 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 0.00 0.00 0.00 103 K 7.82 4.20 0.00 0.79 0.89 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.25 1.29 7.81 104 G 8.11 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 0.00 0.00 0.00 105 Y 7.51 4.41 0.00 3.03 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 0.00 106 A 8.11 4.24 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 0.00 107 K 8.07 3.91 0.00 1.84 1.83 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.55 7.81 108 Q 7.95 4.05 0.00 2.43 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 109 A 8.85 4.08 1.58 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 0.00 0.00 110 L 7.98 3.73 0.00 1.97 1.64 -0.07 1.07 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 0.00 111 A 7.85 4.07 1.31 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 0.00 0.00 112 A 7.74 3.98 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 0.00 113 L 7.38 3.69 0.00 1.71 1.77 0.87 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 114 D 7.73 4.29 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 0.00 115 Q 7.85 3.87 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 116 A 7.72 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.26 4.12 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 0.00 118 R 7.80 4.05 0.00 1.90 1.99 0.00 3.13 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 119 S 7.67 4.31 0.00 4.03 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 *121 G 8.13 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 0.00 122 I 7.43 3.89 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.60 0.97 0.00 0.00 123 R 8.74 4.56 0.00 1.78 1.92 0.00 3.14 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 124 K 7.73 4.61 0.00 1.74 1.52 0.00 1.63 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.41 7.81 125 L 8.37 5.37 0.00 1.49 1.65 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.91 4.97 0.00 4.20 3.82 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 0.00 127 L 8.09 3.48 0.00 0.94 0.92 0.19 -1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 128 H 8.20 4.83 0.00 3.21 3.23 0.00 5.67 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 7.47 4.38 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 0.76 0.00 0.00 1.10 0.00 0.00 130 F 8.65 4.05 0.00 2.96 2.73 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 0.00 131 A 9.00 4.03 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 0.00 132 H 8.08 4.38 0.00 3.28 3.48 0.00 5.53 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.18 4.78 0.00 3.09 2.93 0.00 0.00 6.44 7.25 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 0.00 134 Q 7.90 4.00 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.56 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 135 T 7.95 3.87 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 1.18 0.00 0.00 136 A 7.89 3.71 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 0.00 137 R 8.09 4.07 0.00 2.07 2.06 0.00 3.23 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.92 0.00 138 K 8.14 3.99 0.00 1.80 1.85 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.46 7.81 139 L 7.77 3.88 0.00 1.67 1.54 0.65 0.97 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 0.00 140 Y 7.98 4.38 0.00 3.08 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 0.00 141 E 8.65 4.62 0.00 2.19 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 2.42 2.60 0.00 142 Q 8.51 4.15 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.28 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 143 T 7.72 4.45 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 1.33 0.00 0.00 144 G 7.96 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 0.00 0.00 0.00 145 F 8.69 4.27 0.00 3.31 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 0.00 146 Q 8.36 4.87 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 147 E 8.77 4.24 0.00 1.97 1.90 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 2.33 2.33 0.00 148 T 8.60 4.49 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 1.28 0.00 0.00 149 D 7.89 4.89 0.00 2.62 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 0.00 150 V 8.21 4.23 2.08 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 0.80 0.00 0.00 0.93 0.00 0.00 151 V 8.17 4.06 2.08 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 0.91 0.00 0.00 0.93 0.00 0.00 *153 S 8.06 4.30 0.00 4.06 3.91 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 0.00 154 K 8.12 4.52 0.00 1.68 1.68 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.46 7.81 155 K 8.56 4.37 0.00 1.79 1.72 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.46 7.81 156 L 7.97 4.78 0.00 1.62 1.57 0.93 0.98 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 0.00 157 L 8.45 3.96 0.00 1.63 1.62 0.92 0.98 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 0.00 158 E 8.81 4.13 0.00 2.04 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 2.23 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.