NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3465 8.1593 117.3760 63.0452 69.8677 173.6608 3 E 3.9574 8.7553 124.5472 55.4495 30.5225 174.0906 4 I 4.7178 8.0274 120.8839 59.3172 41.4009 175.0911 5 E 5.9040 8.6090 125.3256 55.9185 32.4996 174.4232 6 R 4.8198 8.7889 119.0595 54.3806 34.8803 174.0173 7 K 5.1276 8.4581 122.3205 54.7742 35.7327 174.9290 8 F 5.2114 9.2273 124.2481 55.2188 43.7087 174.4100 9 L 4.5670 8.5959 121.3977 54.6771 43.1132 176.1227 10 V 4.6102 8.2094 119.4546 61.4910 32.7864 175.0348 11 A 4.4241 9.3575 130.9569 54.5839 19.3283 177.9048 12 T 4.7292 7.9145 110.1327 61.4511 72.3215 174.3337 13 F 3.9272 9.0887 128.9165 57.5807 39.9996 173.0391 14 P 3.7158 0.0000 0.0000 61.9680 31.9292 175.5555 15 D 4.5239 7.7947 119.0718 51.8682 41.7045 175.0264 16 G 3.7036 8.5095 104.9887 44.5127 0.0000 172.0358 17 E 4.1764 8.3677 119.6779 55.6592 29.4553 175.6548 18 L 5.0579 8.3941 126.0063 53.1591 44.9492 175.3237 19 H 4.9765 9.1560 122.8754 54.4560 31.9282 172.7559 20 A 4.6523 8.4016 127.4926 50.3272 20.8288 176.1766 21 V 4.2520 8.1921 121.9272 60.2155 34.7435 172.9284 22 P 4.6301 0.0000 0.0000 62.6600 33.0081 175.1811 23 L 5.0059 8.8924 121.6541 53.1763 46.2462 175.7605 24 R 5.3378 8.5826 120.6298 54.6880 34.3256 174.2142 25 Q 5.3399 9.5789 121.0736 55.2637 32.6691 173.8799 26 G 4.2643 9.1890 106.2344 45.7012 0.0000 171.4450 27 Y 5.0610 8.6156 120.4744 56.3651 39.2870 176.9636 28 L 4.3178 9.2206 125.2828 56.8660 42.5082 177.5414 29 T 4.5866 7.9934 108.0765 60.2954 70.9910 173.5078 30 T 4.6376 8.2379 111.3852 58.8805 71.0669 173.6192 31 P 4.2648 0.0000 0.0000 65.7224 31.3825 177.5130 32 T 4.1859 7.6996 105.6472 62.2292 69.3587 174.5709 33 D 4.6002 8.0993 123.1669 54.2388 41.3532 176.7158 34 S 4.3059 8.5238 115.3882 60.3974 63.4390 173.8883 35 I 4.8569 7.4155 112.4380 58.9527 41.1565 174.1212 36 E 4.7000 9.4047 124.0839 54.4085 31.8018 174.1448 37 L 5.2946 9.2005 129.5300 53.3539 44.8620 174.9099 38 R 4.9870 9.0788 126.3908 54.4565 33.6895 173.7020 39 L 5.5700 9.0711 125.6734 53.1179 44.4509 175.6934 40 R 5.3720 9.5270 119.1445 54.6575 33.4958 173.4980 41 Q 4.4151 9.4090 122.7700 54.3212 31.8123 173.9388 42 Q 4.1872 8.4251 128.0036 55.7402 30.4462 178.2737 43 G 3.6808 8.6520 119.2152 46.5299 0.0000 172.2370 44 T 4.1811 8.8919 113.8268 61.3909 68.6711 172.2414 45 E 4.4186 7.3407 119.1595 55.0482 33.1535 174.1516 46 Y 4.9301 7.1894 116.5564 56.3932 42.4104 174.4022 47 F 5.3895 9.5724 120.8803 56.0485 44.1390 173.1557 48 M 5.3101 9.4790 121.2843 54.1967 35.2367 174.3449 49 T 5.1915 9.2300 122.4353 61.6531 72.2378 172.6125 50 L 5.2700 9.3338 127.9885 53.2535 44.9659 175.0756 51 K 5.3749 9.3700 125.9500 54.6457 35.6162 175.3462 52 S 4.8596 8.7915 118.0777 56.9699 65.1272 173.4441 53 E 4.3076 9.2214 123.9448 56.9786 31.0715 176.4761 54 G 4.0942 7.7829 109.0390 44.3059 0.0000 175.0275 55 G 4.0139 7.5072 110.7148 44.7826 0.0000 175.4339 *58 R 4.1403 8.2299 111.6696 55.7941 29.7028 174.6510 59 Q 4.6512 7.3876 122.6347 56.8063 34.6658 172.6827 60 E 5.2368 7.8825 118.7100 54.8589 32.8292 174.1734 61 Y 4.8807 9.6497 123.4328 56.1675 42.0672 174.1071 62 E 5.3392 8.9651 123.0513 54.4257 32.7701 174.4509 63 I 4.7499 8.9399 120.4215 59.0231 40.6117 174.5820 64 Q 4.5513 8.8841 126.9094 55.8972 29.7376 174.5791 65 I 4.9097 8.3381 119.0204 59.0622 41.3854 174.4076 66 D 4.7497 9.1568 123.5144 51.8747 41.0760 177.8962 67 V 2.4402 7.9316 118.5582 64.8038 31.0081 178.5353 68 T 3.7997 7.7034 115.8348 66.4415 68.5253 176.4858 69 Q 3.9741 8.8929 120.3203 58.8906 28.7609 178.7859 70 F 4.0627 8.2745 121.6254 61.5509 39.2512 177.1201 71 E 4.2849 8.3521 116.6982 59.2019 29.2858 178.9058 72 M 4.2094 8.0075 118.6317 58.0752 32.2585 178.0888 73 L 4.2122 7.8982 118.4817 56.2790 41.9518 178.6972 74 W 4.2679 8.3042 129.2171 60.3635 30.0374 176.1714 75 P 4.0585 0.0000 0.0000 64.7772 30.5104 177.3091 76 A 4.3166 7.7771 118.0086 52.6727 18.8770 178.1383 77 T 4.3956 7.4174 110.1118 59.5029 69.2566 174.2153 78 E 3.8001 6.8403 123.2466 58.0933 29.8575 177.0099 79 G 3.9878 9.3276 114.6949 45.3542 0.0000 173.0398 80 R 5.2654 8.0942 118.1187 54.7464 31.0563 174.8433 81 R 5.0969 7.7184 115.7010 54.3185 34.5617 175.0096 82 V 4.6416 8.9536 119.7520 61.3475 34.7322 174.0442 83 E 5.4963 8.8361 126.7660 54.6606 32.9468 174.9651 84 K 4.6728 8.7421 121.0404 56.6314 36.6878 173.9274 85 T 4.7094 8.5140 118.0168 61.8092 70.9419 173.5370 86 R 4.9734 8.4804 126.8252 54.8567 32.4352 174.0769 87 Y 5.1229 9.2468 124.5249 56.4974 40.5169 174.7540 88 S 5.0342 9.1017 121.1476 57.4282 65.3315 173.9614 89 G 3.8067 7.5418 109.9872 45.4758 0.0000 170.9689 90 K 5.0544 8.1076 119.8159 54.8497 35.3417 176.8511 91 L 4.6443 9.2014 126.5264 53.7442 42.4611 176.1310 92 P 4.3045 0.0000 0.0000 66.2223 31.2018 177.6680 93 D 4.4702 8.0564 114.8115 55.2860 40.8877 177.1024 94 G 4.0226 8.4317 108.6303 44.7809 0.0000 173.8495 95 Q 4.2013 7.9104 119.5771 55.7398 29.9289 175.6268 96 L 4.7820 8.5039 123.7447 54.5771 43.3248 175.8526 97 F 5.3940 8.7592 116.8519 55.2215 42.0598 173.4157 98 E 5.2743 9.3283 118.8766 54.6123 33.4506 174.3931 99 L 5.2959 9.5468 126.6239 53.5466 45.0494 174.5123 100 D 5.1646 9.4185 127.2694 52.8377 43.1215 175.7415 101 V 4.7039 8.8050 124.1948 61.2214 33.1589 174.7622 102 F 4.7524 8.9615 127.0062 57.3188 39.8407 175.2451 103 A 4.5982 9.2676 124.2798 50.0351 22.2071 177.3613 104 G 3.9369 8.7557 106.7695 47.2126 0.0000 175.8122 105 H 4.4778 8.9709 116.6500 57.4613 29.0622 176.6965 106 L 3.9886 7.5142 119.1006 56.3401 41.8911 177.0272 107 S 4.5217 7.7897 113.7233 58.2683 62.6284 171.5887 108 P 4.8006 0.0000 0.0000 62.6568 31.5363 175.4799 109 L 4.1834 8.1082 121.7421 56.9212 43.1202 175.8889 110 M 5.5771 8.7540 123.4276 53.8795 36.7180 173.9417 111 L 5.3770 9.3770 122.1195 52.8674 46.3496 175.7565 112 V 4.8955 9.0268 121.5848 59.8656 34.3637 173.8482 113 E 5.1887 9.5190 126.1565 54.3659 32.3728 174.7231 114 V 4.9575 9.0669 120.1390 59.3765 34.7853 174.2912 115 E 4.9130 8.0093 122.7027 54.5889 31.4522 175.2997 116 F 4.9468 9.0478 120.6263 55.9194 41.9114 175.4441 117 L 4.2807 8.9310 121.7068 56.2701 42.3353 177.5728 118 S 4.7978 7.8274 112.4767 56.2630 65.4553 174.1145 119 E 4.5015 8.6214 125.8018 55.4118 29.1111 176.4353 120 D 4.6329 8.5483 115.3829 52.7148 44.7433 177.4357 121 A 3.9984 7.9435 122.8543 54.9990 18.0121 179.4109 122 A 2.0000 7.5819 118.1928 54.8213 18.5848 179.1983 123 Q 3.9722 7.6866 115.9486 58.5773 29.3611 177.1356 124 A 4.2235 7.6982 120.0863 51.9393 18.9499 177.3197 125 F 3.9909 7.0396 119.5366 58.8499 39.6680 174.4652 126 I 3.8902 7.4825 128.5406 58.5035 37.5850 173.7965 127 P 2.9700 0.0000 0.0000 61.1733 31.7931 174.9552 128 P 4.1376 0.0000 0.0000 61.4321 32.0391 175.5426 129 P 4.2075 0.0000 0.0000 65.3497 31.4549 178.0046 130 W 4.5354 8.0334 114.5062 58.5437 29.0518 176.6725 131 F 4.2694 7.8082 120.1426 57.6746 38.9193 176.1753 132 G 4.2505 8.5268 110.8344 45.3252 0.0000 172.8773 133 E 4.3471 8.7947 121.0924 56.2251 30.9712 177.5235 134 E 4.0625 8.8142 126.3678 56.2667 30.5365 176.6075 135 V 4.3546 8.5221 116.8341 61.1593 33.3173 177.4574 136 T 3.7690 7.9973 118.6145 66.9566 68.1093 174.9594 137 E 4.2004 7.9354 116.6848 56.9254 30.2011 175.7907 138 D 4.6780 8.1510 121.1785 52.8936 41.8160 177.2022 139 K 4.0998 8.7053 126.2590 59.8161 32.9406 179.2903 140 R 3.7668 7.9425 117.4521 58.4114 29.9101 176.7877 141 Y 4.4518 7.3987 113.1199 57.5345 38.7257 176.7475 142 K 4.2580 7.6576 121.0347 55.8184 34.0146 176.9908 143 N 4.3443 8.9447 120.8420 57.2798 38.7176 177.2023 144 K 3.9685 8.1188 119.9016 59.1799 32.4483 178.2573 145 A 3.9423 8.0155 120.6966 55.3222 18.0387 179.4787 146 L 3.8396 7.8831 115.7268 57.9058 42.0340 179.3029 147 A 4.5220 8.2871 122.2555 54.5893 18.1872 179.2016 148 L 4.2317 8.1549 115.9405 55.3202 42.1457 177.7464 149 S 4.3822 7.2370 113.4066 58.0905 63.6874 173.5309 150 I 4.4838 7.7685 121.0359 58.5422 40.1949 174.1280 151 P 4.4049 0.0000 0.0000 63.0742 31.0909 176.2917 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 8.16 4.35 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 1.23 0.00 0.00 3 E 8.76 3.96 0.00 2.16 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 2.34 2.41 0.00 4 I 8.03 4.72 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.86 1.11 0.00 0.00 5 E 8.61 5.90 0.00 2.06 1.87 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 2.22 2.21 0.00 6 R 8.79 4.82 0.00 2.17 1.80 0.00 3.15 0.00 0.00 3.45 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 7 K 8.46 5.13 0.00 1.77 1.47 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.26 1.39 7.81 8 F 9.23 5.21 0.00 2.50 2.94 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 9 L 8.60 4.57 0.00 1.60 1.62 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.21 4.61 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 1.07 0.00 0.00 1.01 0.00 0.00 11 A 9.36 4.42 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.91 4.73 4.41 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 1.26 0.00 0.00 13 F 9.09 3.93 0.00 2.95 2.88 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 14 P 0.00 3.72 0.00 1.31 0.49 0.00 2.20 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.66 0.00 15 D 7.79 4.52 0.00 2.73 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 16 G 8.51 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 17 E 8.37 4.18 0.00 1.94 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 2.29 2.33 0.00 18 L 8.39 5.06 0.00 1.61 1.71 0.74 1.10 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 19 H 9.16 4.98 0.00 3.16 3.13 0.00 5.57 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 20 A 8.40 4.65 1.06 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 0.00 0.00 0.00 0.00 0.00 21 V 8.19 4.25 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 0.95 0.00 0.00 0.80 0.00 0.00 22 P 0.00 4.63 0.00 2.05 2.05 0.00 3.55 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.89 0.00 23 L 8.89 5.01 0.00 1.48 1.64 0.85 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.58 5.34 0.00 1.46 1.30 0.00 2.95 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.46 0.00 25 Q 9.58 5.34 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.58 2.40 0.00 26 G 9.19 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.62 5.06 0.00 2.96 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 9.22 4.32 0.00 1.52 1.73 0.93 0.77 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 29 T 7.99 4.59 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 1.30 0.00 0.00 30 T 8.24 4.64 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 1.19 0.00 0.00 31 P 0.00 4.26 0.00 2.00 2.09 0.00 3.60 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 1.93 1.92 0.00 32 T 7.70 4.19 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 1.19 0.00 0.00 33 D 8.10 4.60 0.00 2.85 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 34 S 8.52 4.31 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.42 4.86 1.92 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 1.25 0.76 0.94 0.00 0.00 36 E 9.40 4.70 0.00 2.07 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 2.44 2.46 0.00 37 L 9.20 5.29 0.00 1.80 1.53 1.03 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 38 R 9.08 4.99 0.00 1.81 1.68 0.00 2.64 0.00 0.00 3.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.92 0.00 39 L 9.07 5.57 0.00 1.75 1.85 0.84 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 40 R 9.53 5.37 0.00 1.91 2.08 0.00 2.73 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 41 Q 9.41 4.42 0.00 0.99 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 42 Q 8.43 4.19 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.66 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 43 G 8.65 3.68 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 0.00 0.00 0.00 44 T 8.89 4.18 4.14 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 1.11 0.00 0.00 45 E 7.34 4.42 0.00 1.95 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 2.06 2.11 0.00 46 Y 7.19 4.93 0.00 2.91 2.63 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 47 F 9.57 5.39 0.00 2.94 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 48 M 9.48 5.31 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 49 T 9.23 5.19 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 50 L 9.33 5.27 0.00 1.70 1.63 0.81 0.58 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 51 K 9.37 5.37 0.00 1.76 1.71 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.43 7.81 52 S 8.79 4.86 0.00 3.88 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 53 E 9.22 4.31 0.00 1.94 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 0.00 2.22 2.35 0.00 54 G 7.78 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.51 4.01 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 0.00 0.00 0.00 *58 R 8.23 4.14 0.00 1.92 2.03 0.00 3.04 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 59 Q 7.39 4.65 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.90 0.00 0.00 0.00 0.00 0.00 2.66 2.37 0.00 60 E 7.88 5.24 0.00 1.96 1.69 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 0.00 2.17 2.35 0.00 61 Y 9.65 4.88 0.00 2.85 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 62 E 8.97 5.34 0.00 1.97 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 2.31 2.48 0.00 63 I 8.94 4.75 1.94 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 1.20 1.26 0.99 0.00 0.00 64 Q 8.88 4.55 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.84 0.00 0.00 0.00 0.00 0.00 2.13 1.82 0.00 65 I 8.34 4.91 2.03 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.98 0.97 0.00 0.00 66 D 9.16 4.75 0.00 2.86 2.83 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 67 V 7.93 2.44 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 0.89 0.00 0.00 0.57 0.00 0.00 68 T 7.70 3.80 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 1.18 0.00 0.00 69 Q 8.89 3.97 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 70 F 8.27 4.06 0.00 3.01 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 71 E 8.35 4.28 0.00 1.94 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 0.00 2.53 2.46 0.00 72 M 8.01 4.21 0.00 1.98 2.26 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.57 0.00 73 L 7.90 4.21 0.00 1.65 1.65 0.93 0.67 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 74 W 8.30 4.27 0.00 2.75 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 75 P 0.00 4.06 0.00 2.15 2.06 0.00 3.80 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 76 A 7.78 4.32 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 77 T 7.42 4.40 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 1.02 0.00 0.00 78 E 6.84 3.80 0.00 1.94 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 2.17 0.00 79 G 9.33 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 0.00 0.00 0.00 80 R 8.09 5.27 0.00 1.97 2.00 0.00 3.20 0.00 0.00 3.25 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 81 R 7.72 5.10 0.00 1.83 1.86 0.00 2.86 0.00 0.00 3.08 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.45 0.00 82 V 8.95 4.64 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 1.30 0.00 0.00 1.15 0.00 0.00 83 E 8.84 5.50 0.00 2.09 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 2.61 2.60 0.00 84 K 8.74 4.67 0.00 1.31 1.39 0.00 0.61 0.00 0.00 1.43 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.13 1.10 7.81 85 T 8.51 4.71 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 0.57 0.00 0.00 86 R 8.48 4.97 0.00 1.84 1.63 0.00 3.00 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 87 Y 9.25 5.12 0.00 3.10 2.87 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 88 S 9.10 5.03 0.00 3.71 3.66 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 0.00 0.00 0.00 0.00 89 G 7.54 3.81 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 0.00 0.00 0.00 90 K 8.11 5.05 0.00 1.61 1.66 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.45 7.81 91 L 9.20 4.64 0.00 2.07 1.73 1.11 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.30 0.00 2.08 2.18 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 93 D 8.06 4.47 0.00 2.93 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 94 G 8.43 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 0.00 0.00 0.00 95 Q 7.91 4.20 0.00 2.13 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 7.06 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 96 L 8.50 4.78 0.00 1.55 1.50 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 97 F 8.76 5.39 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 98 E 9.33 5.27 0.00 1.94 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 2.37 0.00 99 L 9.55 5.30 0.00 2.01 1.80 0.54 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 100 D 9.42 5.16 0.00 2.56 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 0.00 0.00 0.00 0.00 101 V 8.81 4.70 2.26 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 1.16 0.00 0.00 1.33 0.00 0.00 102 F 8.96 4.75 0.00 3.18 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 0.00 103 A 9.27 4.60 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 0.00 104 G 8.76 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 0.00 105 H 8.97 4.48 0.00 3.28 3.48 0.00 5.72 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.51 3.99 0.00 2.01 1.58 0.95 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.79 4.52 0.00 4.07 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 0.00 108 P 0.00 4.80 0.00 2.28 2.16 0.00 3.88 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 109 L 8.11 4.18 0.00 1.78 1.54 1.05 0.57 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 0.00 110 M 8.75 5.58 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.77 0.00 111 L 9.38 5.38 0.00 1.86 1.63 1.12 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 112 V 9.03 4.90 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 -0.26 0.00 0.00 0.61 0.00 0.00 113 E 9.52 5.19 0.00 2.04 1.85 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 2.21 2.43 0.00 114 V 9.07 4.96 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 0.87 0.00 0.00 0.93 0.00 0.00 115 E 8.01 4.91 0.00 1.81 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 2.23 2.13 0.00 116 F 9.05 4.95 0.00 2.85 2.93 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 0.00 117 L 8.93 4.28 0.00 1.69 1.76 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 118 S 7.83 4.80 0.00 3.97 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 0.00 119 E 8.62 4.50 0.00 1.97 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 2.28 2.28 0.00 120 D 8.55 4.63 0.00 2.83 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 0.00 121 A 7.94 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.58 2.00 0.98 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 0.00 0.00 123 Q 7.69 3.97 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 124 A 7.70 4.22 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 0.00 0.00 0.00 0.00 0.00 125 F 7.04 3.99 0.00 2.67 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 0.00 126 I 7.48 3.89 1.54 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 1.24 0.85 0.66 0.00 0.00 127 P 0.00 2.97 0.00 1.52 1.05 0.00 3.36 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 1.92 1.92 0.00 128 P 0.00 4.14 0.00 1.79 1.84 0.00 2.20 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.26 0.00 129 P 0.00 4.21 0.00 2.11 2.15 0.00 3.67 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 130 W 8.03 4.54 0.00 3.62 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 0.00 131 F 7.81 4.27 0.00 2.46 2.62 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 0.00 132 G 8.53 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 0.00 0.00 0.00 0.00 133 E 8.79 4.35 0.00 2.15 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 0.00 2.37 2.37 0.00 134 E 8.81 4.06 0.00 1.92 1.74 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 2.02 1.49 0.00 135 V 8.52 4.35 1.70 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 0.14 0.00 0.00 0.57 0.00 0.00 136 T 8.00 3.77 4.14 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 1.17 0.00 0.00 137 E 7.94 4.20 0.00 1.92 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 2.29 2.35 0.00 138 D 8.15 4.68 0.00 2.79 2.88 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 0.00 139 K 8.71 4.10 0.00 1.96 2.05 0.00 1.54 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.43 7.81 140 R 7.94 3.77 0.00 1.65 1.58 0.00 2.99 0.00 0.00 3.15 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 141 Y 7.40 4.45 0.00 2.98 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 K 7.66 4.26 0.00 1.84 1.76 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.61 7.81 143 N 8.94 4.34 0.00 2.95 2.96 0.00 0.00 6.70 7.21 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 0.00 144 K 8.12 3.97 0.00 1.85 1.71 0.00 1.54 0.00 0.00 1.65 0.00 0.00 2.62 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 0.90 7.81 145 A 8.02 3.94 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 0.00 146 L 7.88 3.84 0.00 1.90 1.74 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 147 A 8.29 4.52 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 0.00 148 L 8.15 4.23 0.00 1.55 1.68 0.82 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 149 S 7.24 4.38 0.00 4.00 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 0.00 150 I 7.77 4.48 1.84 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 1.36 0.64 0.87 0.00 0.00 151 P 0.00 4.40 0.00 1.98 1.95 0.00 3.59 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.77 0.00 * Residues marked with a * may have inaccurate shift predictions.