NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.1391 8.0549 117.9099 60.6742 32.6001 174.8397 4 E 4.1280 7.9351 124.1572 54.9268 30.5789 175.8325 5 K 4.3163 8.2249 121.0702 56.7268 33.8230 177.6105 6 T 4.3419 8.9736 113.4038 60.5981 71.1648 174.0215 7 P 4.3055 0.0000 0.0000 65.8138 31.2705 178.6207 8 W 3.9274 8.3744 126.2731 60.5830 30.5850 177.6982 9 E 3.9479 8.4028 118.4829 59.3632 29.0097 179.3425 10 L 3.9775 8.3218 119.4271 57.7228 41.5960 179.7866 11 V 3.5669 7.7885 118.0382 66.1616 31.5093 178.2414 12 I 3.5108 7.5245 119.6665 64.1563 36.6098 177.9728 13 D 4.3550 8.0514 119.2799 57.5485 40.7811 178.5668 14 F 4.2660 7.8854 119.2586 61.5517 39.4978 176.4389 15 H 4.2452 8.4180 117.3778 57.2109 29.7903 176.1896 16 G 3.8334 9.8615 107.9961 44.9453 0.0000 171.9258 17 H 4.5565 7.1415 112.4286 55.3695 30.6603 172.9447 18 T 4.5971 8.4785 116.9267 61.9698 70.0566 174.4368 19 C 4.8752 8.2515 120.2752 55.2160 34.2218 173.1471 20 P 4.3964 0.0000 0.0000 65.7699 30.9326 178.5759 21 D 4.4681 8.1414 116.6781 57.3013 41.1834 177.9463 22 I 3.7003 7.8450 118.5961 63.7895 38.0010 177.5815 23 A 4.3122 7.9519 121.7011 54.9803 18.2506 179.2546 24 L 4.2190 8.3789 119.1013 58.4775 42.1941 179.5549 25 G 3.5896 8.3389 105.6463 47.7853 0.0000 174.8080 26 Y 4.1701 8.4435 122.3100 60.7922 38.7799 178.7649 27 R 3.6571 8.1320 118.7051 59.1695 30.0099 179.1425 28 I 3.4811 7.9254 119.3557 64.1036 37.0735 178.1965 29 A 3.9431 8.1275 121.9524 55.4984 18.2256 179.8352 30 Q 3.8701 7.7624 116.3361 58.8430 28.5635 178.9845 31 L 3.7843 7.7193 120.0013 57.4339 41.3467 179.3443 32 A 3.5384 7.0964 120.0247 54.9296 18.1512 179.1986 33 Q 3.9500 7.4941 115.4451 59.0976 28.8512 179.0918 34 R 3.9690 7.5197 118.2055 59.0950 30.8566 178.1378 35 E 4.2973 7.9993 117.5953 57.1354 29.5014 175.8012 *37 G 3.8724 7.8864 107.5537 45.4216 0.0000 171.6641 38 I 3.9386 8.1971 120.0977 60.2625 37.6662 175.9648 39 R 2.5100 8.5132 125.5246 55.9683 29.9364 174.5020 40 P 4.2770 0.0000 0.0000 64.6798 32.2112 175.7999 41 A 4.5980 7.2283 120.2483 50.1220 21.9191 175.1065 42 P 4.2011 0.0000 0.0000 66.0955 31.4762 178.1978 43 D 4.6415 7.8669 114.0227 53.4134 40.2398 179.3319 44 S 4.4210 7.7464 114.7361 59.1479 62.9976 172.8898 45 E 4.8298 9.2032 127.9470 54.4079 32.6037 174.2639 46 C 4.8306 8.9193 126.7241 59.1603 32.1930 172.3306 47 L 5.0177 9.1342 127.2488 53.1124 44.3226 175.9261 48 V 4.6237 8.8022 121.9390 60.9560 35.3069 173.7720 49 K 4.8622 9.1186 129.1576 54.6144 34.2843 174.3072 50 A 4.8322 8.8587 129.8080 50.3459 21.6815 176.0412 51 Y 4.8104 8.0017 117.2924 57.2165 39.3119 174.8694 52 T 4.9365 7.2851 112.6060 60.8799 70.7411 172.6001 53 Q 4.3822 8.9827 128.7149 54.6512 29.8075 174.9097 54 S 4.6544 8.1916 118.5591 56.2768 66.1656 174.5313 55 C 4.0321 9.2066 117.1003 63.3984 27.7305 176.1761 56 A 3.9541 8.7904 122.3463 55.5510 17.8675 179.4735 57 L 3.9763 8.1101 117.2196 58.3396 41.7074 179.5858 58 D 4.5361 8.5682 118.6675 57.2004 40.6334 178.6552 59 A 4.0135 7.9570 121.0899 54.9822 18.3510 179.7443 60 I 4.0733 7.5406 119.1461 64.1887 37.1807 178.2964 61 Q 4.2824 8.0341 120.1708 58.3917 28.3220 179.4997 62 V 3.3213 7.2740 117.5353 65.6893 31.6972 177.4035 63 L 4.3065 7.9313 117.0391 56.5360 42.0159 178.0237 64 N 4.6075 8.3013 114.7207 52.6588 38.6072 176.4343 65 K 4.0056 8.0377 116.9966 56.7072 29.5910 175.6208 66 A 4.3945 7.3867 124.3728 51.2082 18.2103 177.4439 67 T 4.7909 7.8448 111.4081 60.3887 71.8003 176.0735 68 I 3.6664 8.7799 123.7606 64.4872 37.3002 179.2220 69 G 3.6248 8.0666 107.9512 48.4934 0.0000 174.2780 70 R 4.1784 7.7785 115.9080 56.1468 30.2461 176.2015 71 H 3.9871 7.9356 113.6349 56.7966 26.9149 175.3348 72 A 4.4436 7.9255 122.4399 52.4246 20.3359 177.3318 73 L 4.9748 7.8802 117.4753 53.3129 44.0852 175.5540 74 I 4.5063 8.7857 127.5444 59.4650 40.1141 174.4931 75 I 4.6531 8.3199 127.3286 59.4261 39.6611 174.8320 76 E 4.2926 8.7198 128.9589 53.8694 31.2937 174.1440 77 E 4.0466 8.6534 128.1236 56.0333 28.4463 175.7655 78 T 4.5800 8.7638 116.2983 60.8130 69.7513 174.0675 79 H 4.2768 8.4282 116.9358 57.3676 26.6900 174.5161 80 R 4.5911 7.2282 117.2426 54.4717 32.1681 175.5473 81 Y 3.9053 8.5905 120.6522 57.6120 39.0652 174.1132 *83 Y 4.8261 8.3067 121.8679 57.9365 40.0845 174.1571 84 Q 5.3338 9.3361 123.4582 54.2510 31.6129 174.5844 85 F 5.3747 9.5070 122.7935 56.1170 42.5184 174.2116 86 H 5.1940 9.1566 121.8939 54.9962 33.8819 172.0649 87 F 5.3577 8.7914 124.9131 56.6918 40.2022 175.5134 88 T 4.0942 8.7761 115.2186 63.1100 69.0459 174.8875 89 G 3.9370 9.1190 112.7408 45.4556 0.0000 173.2195 90 T 4.4695 7.2959 109.3350 60.8725 70.8288 174.1947 91 Q 4.6618 8.5186 117.4581 55.9332 30.2468 175.1941 92 D 5.4535 7.9167 117.6036 52.4345 44.1412 175.4058 93 I 4.7128 8.8549 122.7697 60.0052 40.1129 174.4802 94 H 4.8862 9.5860 125.2798 54.7672 29.8779 173.6438 95 Q 5.2347 8.9846 126.2138 54.3299 31.1157 174.2297 96 F 5.4681 9.7146 125.1035 56.0771 42.3899 174.5709 97 T 4.8404 9.0187 119.9991 61.4217 71.3850 173.7398 98 V 3.8031 8.7387 127.8220 62.6302 32.4845 176.0617 99 S 4.1576 8.6980 124.2546 58.4058 63.2771 173.6819 100 P 4.2281 0.0000 0.0000 65.8919 31.0994 178.6225 101 A 4.0360 8.0212 118.9400 54.9236 18.3002 179.7658 102 V 4.1468 7.7666 118.2705 65.8972 31.6938 178.3339 103 L 3.9311 7.8598 118.2828 57.5937 41.2479 178.7097 104 D 4.2933 8.0553 117.2623 57.7499 41.5248 177.6654 105 H 4.2140 8.3147 118.5548 59.2084 29.8789 177.1245 106 L 3.9253 8.0023 120.7902 57.8948 41.4821 179.3726 107 E 4.0157 8.2092 118.7695 59.4932 29.1391 179.4193 108 T 3.9460 7.4247 108.4162 64.1043 68.8162 175.5823 109 L 4.4651 7.3759 119.6248 53.8912 41.9549 176.3539 110 R 4.5094 7.5939 121.0458 55.2527 31.6356 175.5678 *111 H 5.0481 8.4148 119.2704 51.5657 31.6765 168.6342 112 P 4.3753 0.0000 0.0000 65.6376 31.8955 177.6222 *113 D 4.9511 7.7933 117.3339 51.9076 39.7290 178.5094 114 L 4.7502 7.3056 120.8568 53.1342 44.3173 178.2298 115 S 4.3461 8.2580 116.5048 57.8103 65.0060 173.6836 116 P 4.2741 0.0000 0.0000 65.8231 31.1392 179.1624 117 R 3.9049 7.9642 116.4079 59.3185 30.0384 178.5709 118 E 3.9352 8.1998 119.0319 59.2059 29.6424 178.8151 119 R 3.8762 8.4268 119.2772 59.5002 30.2900 178.3376 120 Q 3.9958 8.3423 119.5178 59.0459 29.0381 177.7144 121 N 4.3417 8.2309 117.6741 56.4603 38.5616 177.5497 122 K 4.0400 8.1457 119.6969 59.0691 32.1656 179.5953 123 V 3.5906 7.8286 118.8412 66.1630 31.4781 178.1822 124 L 4.0816 7.8529 118.2120 57.5516 41.3646 179.0165 125 E 4.0728 8.4407 119.5984 59.2958 29.5413 179.1235 126 G 3.7017 8.3856 105.9196 47.7647 0.0000 175.8947 127 V 3.6913 7.8608 120.1831 65.9072 31.7379 177.9559 128 Q 3.9805 8.2005 117.8583 59.2006 28.5552 178.4336 129 Y 4.1355 8.3002 120.3805 60.8191 38.3708 178.2922 130 V 3.4180 8.0761 119.0879 66.1126 31.4652 177.9483 131 L 4.0245 7.8965 117.0496 56.7784 41.5490 178.3965 132 T 4.2576 7.2948 107.3341 60.7801 69.8004 175.1426 133 L 4.0080 6.6916 121.5514 54.7123 42.4697 177.5162 134 E 4.1960 8.4963 121.5773 55.9353 31.5616 177.9316 135 E 4.1085 8.8661 121.8800 60.0716 29.3899 180.1673 136 S 4.2548 8.1048 111.9543 61.2765 63.2086 175.8452 137 A 4.1859 7.9533 123.3026 54.4702 18.4797 178.4471 138 F 4.3445 8.2632 120.1696 61.0763 39.6948 174.4335 139 C 5.0612 7.9375 111.9389 57.5906 33.0618 172.2661 140 H 5.0145 9.2619 119.2874 54.4858 31.9182 171.8561 141 Y 5.0555 8.4032 126.1976 55.8496 41.0493 174.2030 142 D 4.3613 8.5182 125.9123 52.0779 44.7926 174.4986 143 K 4.6744 7.9588 124.8988 54.8112 33.1975 175.1900 144 I 4.6696 8.3689 121.1226 57.9984 41.2986 173.1576 145 P 4.7587 0.0000 0.0000 62.0442 31.6210 176.2534 146 G 4.2187 7.8186 113.5865 46.6712 0.0000 171.7132 147 Q 4.3266 8.3185 117.9036 53.8110 32.8365 174.7445 148 L 4.8415 7.7634 119.1987 53.1570 44.5486 176.0302 149 S 4.7369 8.0218 113.9595 56.4789 66.1161 173.9619 150 K 4.1905 8.4751 122.8750 56.8213 32.6301 178.1607 151 I 3.9840 8.1500 117.9522 60.2812 35.4927 176.7358 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 3 V 8.05 4.14 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 0.94 0.00 0.00 0.93 0.00 0.00 4 E 7.94 4.13 0.00 2.31 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.96 0.00 5 K 8.22 4.32 0.00 1.77 1.78 0.00 1.76 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.45 7.81 6 T 8.97 4.34 4.35 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 1.30 0.00 0.00 7 P 0.00 4.31 0.00 2.46 2.28 0.00 3.72 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 2.20 2.23 0.00 8 W 8.37 3.93 0.00 3.07 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 9 E 8.40 3.95 0.00 2.35 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 2.44 2.52 0.00 10 L 8.32 3.98 0.00 1.85 1.71 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.79 3.57 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 0.95 0.00 0.00 1.02 0.00 0.00 12 I 7.52 3.51 1.60 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 -0.05 0.82 0.00 0.00 13 D 8.05 4.35 0.00 2.86 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 14 F 7.89 4.27 0.00 2.99 3.19 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 15 H 8.42 4.25 0.00 3.21 3.30 0.00 5.98 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 9.86 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 17 H 7.14 4.56 0.00 3.15 3.19 0.00 5.51 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.48 4.60 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 1.45 0.00 0.00 19 C 8.25 4.88 0.00 3.10 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 20 P 0.00 4.40 0.00 2.27 2.26 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.36 0.00 21 D 8.14 4.47 0.00 2.84 2.78 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 22 I 7.84 3.70 1.67 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 1.34 1.15 0.90 0.00 0.00 23 A 7.95 4.31 1.61 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 0.00 0.00 24 L 8.38 4.22 0.00 1.96 2.09 0.96 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.34 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.44 4.17 0.00 3.15 3.38 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 27 R 8.13 3.66 0.00 1.57 1.31 0.00 2.92 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.76 0.00 28 I 7.93 3.48 1.84 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.95 0.75 0.00 0.00 29 A 8.13 3.94 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 30 Q 7.76 3.87 0.00 1.70 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.76 0.00 0.00 0.00 0.00 0.00 2.00 1.74 0.00 31 L 7.72 3.78 0.00 1.31 1.46 1.04 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.10 3.54 -0.08 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 0.00 0.00 33 Q 7.49 3.95 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 34 R 7.52 3.97 0.00 1.80 1.96 0.00 3.20 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 35 E 8.00 4.30 0.00 1.82 1.78 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 2.27 1.66 0.00 *37 G 7.89 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 38 I 8.20 3.94 1.84 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 1.30 0.59 0.86 0.00 0.00 39 R 8.51 2.51 0.00 1.41 1.65 0.00 3.13 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.11 0.00 40 P 0.00 4.28 0.00 2.13 2.06 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.84 0.00 41 A 7.23 4.60 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 42 P 0.00 4.20 0.00 2.03 2.11 0.00 3.64 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 2.06 0.00 43 D 7.87 4.64 0.00 2.69 2.56 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 44 S 7.75 4.42 0.00 3.81 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 45 E 9.20 4.83 0.00 2.10 1.81 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 2.25 2.27 0.00 46 C 8.92 4.83 0.00 3.12 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 47 L 9.13 5.02 0.00 1.64 1.55 1.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.80 4.62 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 0.46 0.00 0.00 0.63 0.00 0.00 49 K 9.12 4.86 0.00 1.71 1.56 0.00 1.54 0.00 0.00 1.77 0.00 0.00 2.38 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.58 1.02 7.81 50 A 8.86 4.83 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 51 Y 8.00 4.81 0.00 2.90 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.29 4.94 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 0.42 0.00 0.00 53 Q 8.98 4.38 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.38 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 54 S 8.19 4.65 0.00 4.18 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 55 C 9.21 4.03 0.00 3.20 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 56 A 8.79 3.95 1.51 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 0.00 0.00 57 L 8.11 3.98 0.00 1.76 1.78 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.57 4.54 0.00 2.88 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 59 A 7.96 4.01 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 60 I 7.54 4.07 2.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.78 0.92 0.00 0.00 61 Q 8.03 4.28 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.83 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 62 V 7.27 3.32 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 0.73 0.00 0.00 0.42 0.00 0.00 63 L 7.93 4.31 0.00 1.67 1.63 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.30 4.61 0.00 3.04 2.95 0.00 0.00 7.01 7.17 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 65 K 8.04 4.01 0.00 1.93 1.92 0.00 1.78 0.00 0.00 0.61 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.38 7.81 66 A 7.39 4.39 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 67 T 7.84 4.79 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 1.21 0.00 0.00 68 I 8.78 3.67 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.15 0.88 0.00 0.00 69 G 8.07 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.78 4.18 0.00 1.83 2.00 0.00 3.50 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 71 H 7.94 3.99 0.00 3.28 3.39 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.93 4.44 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 73 L 7.88 4.97 0.00 1.78 1.52 0.91 0.95 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 74 I 8.79 4.51 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.48 0.80 0.00 0.00 75 I 8.32 4.65 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.53 0.81 0.00 0.00 76 E 8.72 4.29 0.00 1.71 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 2.15 2.14 0.00 77 E 8.65 4.05 0.00 1.92 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 2.18 2.18 0.00 78 T 8.76 4.58 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 1.38 0.00 0.00 79 H 8.43 4.28 0.00 3.39 3.49 0.00 5.61 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.23 4.59 0.00 1.85 1.77 0.00 3.09 0.00 0.00 3.06 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 81 Y 8.59 3.91 0.00 3.04 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 *83 Y 8.31 4.83 0.00 3.38 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 84 Q 9.34 5.33 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 85 F 9.51 5.37 0.00 3.18 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 H 9.16 5.19 0.00 3.26 3.16 0.00 5.77 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 F 8.79 5.36 0.00 3.01 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 88 T 8.78 4.09 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 1.35 0.00 0.00 89 G 9.12 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 90 T 7.30 4.47 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 1.35 0.00 0.00 91 Q 8.52 4.66 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 92 D 7.92 5.45 0.00 2.63 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.85 4.71 1.88 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 1.28 0.90 0.98 0.00 0.00 94 H 9.59 4.89 0.00 3.32 3.55 0.00 5.58 0.00 0.00 0.00 0.00 6.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.98 5.23 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 96 F 9.71 5.47 0.00 3.21 3.10 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 97 T 9.02 4.84 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 1.24 0.00 0.00 98 V 8.74 3.80 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 1.04 0.00 0.00 99 S 8.70 4.16 0.00 3.84 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 0.00 100 P 0.00 4.23 0.00 2.16 2.13 0.00 3.61 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 101 A 8.02 4.04 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 0.00 102 V 7.77 4.15 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 1.58 0.00 0.00 1.04 0.00 0.00 103 L 7.86 3.93 0.00 1.81 1.59 0.90 0.15 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 0.00 104 D 8.06 4.29 0.00 2.79 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 0.00 105 H 8.31 4.21 0.00 3.17 3.07 0.00 5.84 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 0.00 106 L 8.00 3.93 0.00 1.89 1.72 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.21 4.02 0.00 2.20 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 2.50 0.00 108 T 7.42 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 1.21 0.00 0.00 109 L 7.38 4.47 0.00 1.72 1.70 0.82 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 110 R 7.59 4.51 0.00 1.78 1.84 0.00 3.12 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 *111 H 8.41 5.05 0.00 2.88 2.78 0.00 7.21 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.38 0.00 2.17 2.21 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 *113 D 7.79 4.95 0.00 2.69 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 0.00 114 L 7.31 4.75 0.00 1.62 1.61 0.91 0.97 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 0.00 115 S 8.26 4.35 0.00 4.04 3.99 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 0.00 116 P 0.00 4.27 0.00 2.18 2.14 0.00 3.60 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 2.11 2.18 0.00 117 R 7.96 3.90 0.00 1.94 1.98 0.00 3.24 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.26 0.00 118 E 8.20 3.94 0.00 2.14 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 2.30 2.19 0.00 119 R 8.43 3.88 0.00 1.94 2.04 0.00 3.15 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 120 Q 8.34 4.00 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 121 N 8.23 4.34 0.00 2.96 2.86 0.00 0.00 7.00 7.02 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 0.00 122 K 8.15 4.04 0.00 1.95 1.93 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.56 7.81 123 V 7.83 3.59 2.28 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 1.06 0.00 0.00 1.03 0.00 0.00 124 L 7.85 4.08 0.00 1.91 1.71 0.93 0.66 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 0.00 125 E 8.44 4.07 0.00 2.06 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 0.00 2.34 2.37 0.00 126 G 8.39 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 0.00 127 V 7.86 3.69 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 1.09 0.00 0.00 1.15 0.00 0.00 128 Q 8.20 3.98 0.00 2.37 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 129 Y 8.30 4.14 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 0.00 130 V 8.08 3.42 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.20 0.00 0.00 131 L 7.90 4.02 0.00 1.55 1.56 0.49 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 132 T 7.29 4.26 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 1.22 0.00 0.00 133 L 6.69 4.01 0.00 1.59 1.64 0.71 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.50 4.20 0.00 2.03 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 2.39 2.39 0.00 135 E 8.87 4.11 0.00 2.05 2.10 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 2.44 2.39 0.00 136 S 8.10 4.25 0.00 4.07 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 0.00 137 A 7.95 4.19 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 0.00 138 F 8.26 4.34 0.00 3.11 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 0.00 139 C 7.94 5.06 0.00 3.08 2.35 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 0.00 140 H 9.26 5.01 0.00 3.28 3.22 0.00 5.73 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 0.00 141 Y 8.40 5.06 0.00 2.76 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 0.00 142 D 8.52 4.36 0.00 2.34 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 0.00 0.00 0.00 0.00 143 K 7.96 4.67 0.00 1.40 1.47 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.22 1.18 7.81 144 I 8.37 4.67 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.80 0.79 0.00 0.00 145 P 0.00 4.76 0.00 1.94 2.03 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 146 G 7.82 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 0.00 0.00 0.00 0.00 147 Q 8.32 4.33 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 148 L 7.76 4.84 0.00 1.63 1.55 0.99 0.79 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 0.00 149 S 8.02 4.74 0.00 3.92 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 0.00 150 K 8.48 4.19 0.00 1.77 1.78 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.45 7.81 151 I 8.15 3.98 1.87 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 1.27 0.62 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.