NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 G 3.8312 8.3501 109.7397 45.5372 0.0000 171.9478 10 A 4.2580 7.4919 119.8478 48.9280 22.2924 172.6897 11 P 4.6827 0.0000 0.0000 62.5536 33.0951 174.3291 12 V 4.5375 8.2763 122.8122 60.3726 34.1386 172.9429 13 P 4.8130 0.0000 0.0000 62.6775 32.5075 175.5358 14 V 4.2800 7.6969 119.6360 61.8769 33.8097 174.2427 15 D 5.1881 8.1166 122.9369 52.5359 43.8684 175.4337 16 E 4.4160 8.4583 116.8371 56.8372 29.7340 177.4779 17 N 4.8704 7.5090 110.9345 52.3499 40.5439 176.1369 18 D 4.7463 7.5523 117.0183 50.7262 41.7236 174.5587 19 E 4.0181 8.4699 123.9355 58.8773 29.5194 178.3863 20 G 3.6256 7.9185 104.5132 47.8548 0.0000 174.9816 21 L 3.4496 7.9801 123.6738 57.4941 41.9815 179.0921 22 Q 4.0052 8.1099 118.0551 58.9036 28.7916 178.5774 23 R 4.0298 8.1785 118.8791 58.4011 30.1521 178.4641 24 A 4.2463 8.0062 121.0825 55.4994 18.6051 179.3461 25 L 4.1215 7.8879 118.2642 58.4215 42.3018 178.9364 26 Q 4.0984 8.3881 117.8277 58.1835 28.3725 178.3204 27 F 4.3080 7.7981 120.8620 61.2545 39.8475 176.9233 28 A 3.5697 7.5261 119.9229 54.9175 17.9200 179.3025 29 I 3.6144 7.0851 116.9208 64.2693 38.0922 177.6730 30 A 4.6538 7.7613 122.7781 54.8661 18.0129 179.4818 31 E 4.0633 8.3394 116.8552 59.2216 29.5066 178.9737 32 Y 4.2952 8.2121 120.3877 60.6786 39.0065 177.5102 33 N 4.4245 8.2905 117.6101 56.1531 37.2591 176.8084 34 R 4.0056 7.8597 118.8724 57.9067 30.1554 177.8563 35 A 4.1682 7.3669 119.9338 54.8861 19.4311 178.6573 36 S 4.1740 7.8639 109.5835 58.3706 62.4103 175.3545 37 N 4.2226 7.8215 117.9463 56.1534 37.0063 175.1423 38 D 4.0842 7.2838 115.9089 57.1047 41.1061 177.5739 39 K 3.9529 7.9766 119.6184 58.9822 33.1688 176.4810 40 Y 4.6673 6.2946 117.3570 56.7547 41.9223 172.7663 41 S 4.8730 8.7463 113.7267 57.3773 66.6483 173.4331 42 S 5.1948 8.6049 118.3909 57.2832 64.1730 173.8471 43 R 5.0335 8.3963 123.3852 53.8854 33.8599 176.1614 44 V 3.7589 8.5658 121.6705 63.1053 31.4208 174.1581 45 V 4.4014 8.3466 119.1380 62.9445 38.6363 173.9021 46 R 4.2788 7.2520 128.7703 53.3328 30.7294 175.1407 47 V 3.8009 8.0046 123.4987 63.1588 32.2714 175.0649 48 I 4.4947 8.4337 120.1539 62.5298 41.2346 176.8439 49 S 4.4885 8.0241 121.3217 56.3731 64.9212 171.2957 50 A 4.8955 8.2862 125.4320 50.1777 20.3366 175.4334 51 K 4.5996 8.9414 119.9015 55.8028 37.3307 176.2632 52 R 5.9363 8.4926 120.1889 52.5587 30.8618 175.0529 53 Q 4.0036 8.4498 121.6944 56.1705 30.5917 175.8707 54 L 5.0256 8.1237 123.8794 53.2189 42.6870 176.1546 55 V 4.6984 8.1772 130.0536 60.2554 32.9026 176.7135 56 S 4.4892 9.1047 111.6044 61.4528 64.0537 174.5387 57 G 4.2415 7.6537 109.2723 45.3834 0.0000 174.2413 58 I 5.1040 8.1933 125.1217 59.0480 41.8959 173.0548 59 K 4.4864 8.4445 123.2718 54.8968 35.3846 175.0802 60 Y 5.2114 9.0004 123.5764 56.8963 39.1213 174.3054 61 I 4.8230 8.5448 126.3526 59.6739 38.9565 174.8561 62 L 5.8514 8.8141 129.0809 52.7057 45.7625 175.0624 63 Q 5.1814 7.9059 120.1434 54.2746 33.6542 174.1472 64 V 4.3939 7.6328 112.0408 60.3247 35.9853 172.8562 65 E 5.4818 8.5884 125.0888 54.9918 27.1104 175.7141 66 I 3.7879 7.3542 123.4472 59.5770 40.2916 175.9383 67 G 4.5261 9.2491 110.2218 45.6336 0.0000 170.1813 68 R 4.9645 7.1491 117.7401 55.1383 34.6004 175.2313 69 T 4.5748 8.1856 112.1487 64.3889 68.8597 176.1514 70 T 2.7934 8.9366 115.3019 61.2931 69.3901 172.5466 71 C 3.8088 6.2871 119.1964 55.7730 44.5561 171.1917 72 P 4.4973 0.0000 0.0000 63.7852 31.5782 176.4200 73 K 4.4498 7.2556 119.2046 56.3175 35.9426 177.7745 74 S 4.3232 7.5075 114.0294 57.8842 63.9498 175.4743 75 S 3.7539 8.7713 114.2166 59.6868 61.4394 172.4272 76 G 4.0804 8.1634 101.7898 46.7138 0.0000 173.7035 77 D 4.7347 7.9952 112.7776 51.3322 41.3063 176.6302 78 L 3.6316 8.0704 119.2288 55.0433 40.3135 174.8955 79 Q 4.3960 8.1008 129.7624 55.5678 30.8955 174.2086 80 S 4.4496 8.7905 122.4890 56.2955 69.3532 172.7736 81 C 4.1663 6.4610 122.7501 56.0111 47.1795 171.3336 82 E 5.1218 8.2878 120.4681 55.1880 33.9247 177.5045 83 F 4.7690 9.4864 115.7127 59.3514 38.3690 176.9538 84 H 4.9952 9.2483 125.8223 56.6107 29.5412 173.1586 85 D 4.4985 8.5115 113.4102 53.6511 40.1310 172.2029 86 E 5.2799 6.9205 116.5234 55.4868 33.4454 175.2231 87 P 4.5343 0.0000 0.0000 65.3785 31.8435 177.8592 88 E 4.0457 7.2864 116.2254 58.6352 29.6137 177.4982 89 L 4.4707 7.3899 118.5598 54.7208 40.6142 175.6728 90 A 3.6652 7.5210 117.6526 50.6727 18.7667 175.4867 91 K 3.6336 7.1363 120.8004 56.5697 33.2800 176.0879 92 Y 5.0878 7.9690 116.7569 58.0095 42.4617 174.2028 93 T 4.7709 9.1690 113.6996 61.0931 71.8943 172.8864 94 T 4.7684 8.4856 122.9667 62.6867 69.8765 174.2199 95 C 5.2627 8.6871 126.8414 54.8051 47.5787 172.6220 96 T 5.4428 8.2510 119.4192 60.7708 71.8784 172.8117 97 F 5.5275 8.3130 123.8061 55.8404 42.1540 174.7793 98 V 5.3651 8.3307 121.5915 60.3254 33.7156 173.6953 99 V 4.5870 8.2648 127.9137 61.0235 34.1578 173.4462 100 Y 4.5273 8.7114 130.3172 56.7996 40.3128 173.9696 101 S 4.6375 7.8983 121.6725 56.5363 65.6177 173.0263 102 I 4.0293 8.0073 126.8837 58.2701 39.1583 174.5299 103 P 4.3727 0.0000 0.0000 62.3916 32.2196 177.4629 104 W 3.7435 8.8372 112.2538 57.5871 27.7243 174.8103 105 L 4.4467 7.5522 117.2774 54.5746 43.7422 175.5388 106 N 3.8429 7.5514 113.8636 54.8808 37.0773 175.6290 107 Q 4.4514 7.7112 120.2624 54.3028 30.4845 175.6069 108 I 4.8388 7.9650 123.5801 59.2245 39.9844 174.3446 109 K 4.9405 8.7987 128.7236 54.9786 35.9887 175.1056 110 L 3.8437 8.6415 127.6606 56.1637 42.7976 174.6929 111 L 4.4824 8.3919 122.7421 54.0709 49.1449 177.0000 112 E 4.4807 8.4623 122.2442 55.2878 28.9008 175.1142 113 S 5.6472 7.9319 113.9019 55.6831 64.2638 174.0401 114 K 4.7703 8.4207 126.8992 54.9628 35.6625 175.2636 115 C 5.0723 8.9598 125.6920 55.7660 43.2329 174.6956 *116 Q 4.2093 8.4182 120.6725 55.3671 28.4058 173.8713 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 9 G 8.35 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 10 A 7.49 4.26 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.68 0.00 2.10 2.08 0.00 3.72 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 1.98 1.97 0.00 12 V 8.28 4.54 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 0.98 0.00 0.00 0.94 0.00 0.00 13 P 0.00 4.81 0.00 2.09 2.01 0.00 3.79 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 14 V 7.70 4.28 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 0.66 0.00 0.00 0.89 0.00 0.00 15 D 8.12 5.19 0.00 2.64 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 16 E 8.46 4.42 0.00 1.94 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 2.29 2.25 0.00 17 N 7.51 4.87 0.00 2.63 2.73 0.00 0.00 6.86 8.05 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 18 D 7.55 4.75 0.00 2.65 2.41 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 19 E 8.47 4.02 0.00 2.06 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 2.42 0.00 20 G 7.92 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.98 3.45 0.00 1.69 1.53 0.80 0.10 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 22 Q 8.11 4.01 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 23 R 8.18 4.03 0.00 2.11 2.03 0.00 3.08 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 24 A 8.01 4.25 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 25 L 7.89 4.12 0.00 1.79 1.74 1.01 1.15 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 26 Q 8.39 4.10 0.00 2.40 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.64 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 27 F 7.80 4.31 0.00 3.26 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.53 3.57 -0.58 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 29 I 7.09 3.61 2.14 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 1.64 1.61 0.98 0.00 0.00 30 A 7.76 4.65 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 31 E 8.34 4.06 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 32 Y 8.21 4.30 0.00 3.12 3.15 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 0.00 0.00 0.00 0.00 33 N 8.29 4.42 0.00 3.00 3.15 0.00 0.00 5.85 7.69 0.00 0.00 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 R 7.86 4.01 0.00 1.88 2.03 0.00 3.28 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 35 A 7.37 4.17 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 36 S 7.86 4.17 0.00 3.61 3.64 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 37 N 7.82 4.22 0.00 2.82 3.04 0.00 0.00 6.84 7.60 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 38 D 7.28 4.08 0.00 2.57 2.37 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 39 K 7.98 3.95 0.00 0.82 1.33 0.00 1.56 0.00 0.00 1.38 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.23 7.81 40 Y 6.29 4.67 0.00 3.12 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 41 S 8.75 4.87 0.00 3.80 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 42 S 8.60 5.19 0.00 3.98 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 43 R 8.40 5.03 0.00 2.02 2.33 0.00 3.28 0.00 0.00 3.51 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 44 V 8.57 3.76 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.01 0.00 0.00 45 V 8.35 4.40 1.84 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 0.73 0.00 0.00 1.27 0.00 0.00 46 R 7.25 4.28 0.00 1.58 1.64 0.00 3.22 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 47 V 8.00 3.80 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 0.94 0.00 0.00 0.92 0.00 0.00 48 I 8.43 4.49 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.89 0.86 0.00 0.00 49 S 8.02 4.49 0.00 3.84 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 50 A 8.29 4.90 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 51 K 8.94 4.60 0.00 1.66 1.65 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.37 7.81 52 R 8.49 5.94 0.00 1.68 2.11 0.00 2.84 0.00 0.00 2.82 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.16 0.00 53 Q 8.45 4.00 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 54 L 8.12 5.03 0.00 1.46 1.58 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.18 4.70 2.16 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 1.12 0.00 0.00 1.02 0.00 0.00 56 S 9.10 4.49 0.00 4.22 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 0.00 57 G 7.65 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 0.00 0.00 0.00 0.00 58 I 8.19 5.10 1.60 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.47 1.10 0.00 0.00 59 K 8.44 4.49 0.00 1.74 1.78 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.39 1.32 7.81 60 Y 9.00 5.21 0.00 3.05 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 61 I 8.54 4.82 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.10 0.94 0.00 0.00 62 L 8.81 5.85 0.00 1.81 1.50 1.16 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.91 5.18 0.00 2.03 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.60 0.00 0.00 0.00 0.00 0.00 2.26 2.15 0.00 64 V 7.63 4.39 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 0.54 0.00 0.00 0.84 0.00 0.00 65 E 8.59 5.48 0.00 1.71 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.09 0.00 66 I 7.35 3.79 2.13 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.51 1.01 0.00 0.00 67 G 9.25 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.15 4.96 0.00 0.93 0.88 0.00 2.65 0.00 0.00 3.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.35 0.00 69 T 8.19 4.57 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 1.24 0.00 0.00 70 T 8.94 2.79 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 1.27 0.00 0.00 71 C 6.29 3.81 0.00 3.03 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 72 P 0.00 4.50 0.00 2.22 2.03 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 73 K 7.26 4.45 0.00 1.70 1.75 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.34 1.45 7.81 74 S 7.51 4.32 0.00 3.88 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 75 S 8.77 3.75 0.00 3.92 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 76 G 8.16 4.08 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 0.00 77 D 8.00 4.73 0.00 2.77 2.74 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 78 L 8.07 3.63 0.00 1.83 1.63 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.10 4.40 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.84 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 80 S 8.79 4.45 0.00 3.82 3.61 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 81 C 6.46 4.17 0.00 3.20 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 82 E 8.29 5.12 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.43 0.00 83 F 9.49 4.77 0.00 3.15 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 H 9.25 5.00 0.00 3.14 3.18 0.00 5.79 0.00 0.00 0.00 0.00 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.51 4.50 0.00 2.77 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 6.92 5.28 0.00 2.09 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 2.13 1.99 0.00 87 P 0.00 4.53 0.00 2.29 2.38 0.00 3.75 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 2.08 1.97 0.00 88 E 7.29 4.05 0.00 2.00 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 0.00 2.33 2.29 0.00 89 L 7.39 4.47 0.00 1.70 1.64 0.93 0.51 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 90 A 7.52 3.67 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.14 3.63 0.00 1.48 1.73 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.35 7.81 92 Y 7.97 5.09 0.00 2.92 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 93 T 9.17 4.77 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 94 T 8.49 4.77 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 95 C 8.69 5.26 0.00 2.58 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 96 T 8.25 5.44 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 97 F 8.31 5.53 0.00 2.98 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 98 V 8.33 5.37 2.25 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 1.11 0.00 0.00 0.99 0.00 0.00 99 V 8.26 4.59 2.37 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 0.96 0.00 0.00 0.99 0.00 0.00 100 Y 8.71 4.53 0.00 3.12 2.80 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 0.00 101 S 7.90 4.64 0.00 3.51 3.20 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 0.00 102 I 8.01 4.03 1.48 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.74 -0.84 0.00 0.00 103 P 0.00 4.37 0.00 2.27 2.17 0.00 3.27 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 2.17 1.95 0.00 104 W 8.84 3.74 0.00 3.54 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 0.00 105 L 7.55 4.45 0.00 1.12 1.38 0.96 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 106 N 7.55 3.84 0.00 2.73 2.83 0.00 0.00 6.92 7.04 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 0.00 107 Q 7.71 4.45 0.00 1.83 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 108 I 7.97 4.84 1.81 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.74 0.89 0.00 0.00 109 K 8.80 4.94 0.00 1.86 1.62 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.58 7.81 110 L 8.64 3.84 0.00 0.30 1.21 0.43 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.39 4.48 0.00 1.67 1.43 0.93 0.86 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 0.00 112 E 8.46 4.48 0.00 1.95 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 0.00 2.34 2.30 0.00 113 S 7.93 5.65 0.00 3.86 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 0.00 114 K 8.42 4.77 0.00 1.83 1.64 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.48 7.81 115 C 8.96 5.07 0.00 3.22 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 *116 Q 8.42 4.21 0.00 1.90 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.