NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1199 8.1127 120.8603 56.7274 30.1689 174.7606 3 V 3.1066 8.4267 122.8823 61.5925 30.3720 171.2880 4 K 4.4521 8.6914 117.7702 56.8938 34.3739 175.9761 5 M 4.0063 7.7916 119.4121 56.7300 32.3157 175.1213 6 H 4.8869 8.9672 115.9046 55.3233 30.5742 174.4978 7 V 2.7279 6.5767 107.8870 61.5774 32.7942 176.2155 8 K 4.5587 7.4537 122.3103 54.8560 34.7681 176.3215 9 K 4.7978 7.8582 120.3411 55.3277 35.3947 176.5531 10 G 4.0992 8.5294 104.2149 46.5456 0.0000 172.0505 11 D 5.0156 7.2072 126.7972 53.7460 42.7728 179.4357 12 T 5.0704 9.6251 111.3831 60.3562 69.9947 171.9264 13 V 4.6657 9.0207 120.7910 60.2221 37.1900 173.1339 14 L 4.9002 8.8048 123.2237 55.4519 45.2275 176.2445 15 V 4.1890 8.3599 119.0639 61.4221 32.6266 176.1205 16 A 3.9872 9.7607 122.9951 51.4016 18.0737 180.4088 17 S 4.1900 8.1679 108.3836 60.1884 63.6022 175.3520 18 G 4.2542 9.2820 108.5300 45.2533 0.0000 174.8158 19 K 3.7857 9.6411 120.2618 59.5995 33.2280 176.1949 20 Y 4.2826 8.2235 114.6674 57.4671 38.0726 174.3360 21 K 3.7520 8.1253 122.2088 57.3876 32.0425 172.4604 22 G 3.8306 8.9412 123.4425 45.1235 0.0000 172.2482 23 R 4.8980 7.7866 130.6283 56.1287 32.9650 173.1200 24 V 4.4574 8.4546 126.6020 62.6750 33.0427 174.7444 25 G 4.1359 8.9232 112.6559 45.8758 0.0000 170.7154 26 K 5.1011 7.7580 119.5476 55.6667 34.9245 174.4281 27 V 3.3188 7.1686 115.5958 61.7749 30.8054 176.8321 28 K 4.4267 8.6405 125.0512 56.4799 33.1385 176.2142 29 E 3.8036 8.1057 117.4549 58.5350 27.2528 174.2284 30 V 3.5393 7.2537 115.7670 61.1857 33.2815 174.1702 31 L 4.0864 7.6590 124.8031 54.5779 41.4765 175.3307 32 P 4.9737 0.0000 0.0000 62.6779 32.5584 177.7467 33 K 3.9438 8.3452 120.7733 60.0519 32.0124 178.2179 34 K 4.1799 7.9899 115.9750 56.4816 32.9113 175.6228 35 Y 3.4147 7.8435 118.3508 59.0187 37.0357 167.6754 36 A 5.0140 7.4706 122.2244 49.7111 23.1390 175.0505 37 V 4.5098 7.8331 111.1468 61.0901 34.0507 174.8187 38 I 4.5155 8.1217 121.9428 62.6465 46.4020 177.3777 39 V 3.9394 7.3293 117.9338 63.4453 31.4632 174.0744 40 E 4.5788 8.9981 112.8996 56.1725 32.1152 174.5506 41 G 3.7095 7.8536 109.1508 43.9518 0.0000 170.9680 42 V 2.9265 5.6226 118.4234 61.9001 30.9205 172.5121 43 N 5.4545 8.4006 119.6477 52.4570 40.9935 175.4232 44 I 3.2964 6.9578 116.8469 60.0091 34.5127 174.9214 45 V 3.8997 8.2550 124.3483 63.1271 33.1484 176.8077 46 K 4.5418 7.8189 122.2371 55.7649 31.0979 179.4055 47 K 3.1376 8.6589 127.0927 58.7367 37.6068 176.5839 48 A 3.6711 6.4963 124.5918 53.8462 15.1021 177.1975 49 V 3.9108 7.7624 116.1002 62.1503 32.2091 176.8605 50 R 4.1354 7.7260 114.8744 56.2679 28.5519 176.3213 51 V 3.8715 7.8094 115.7437 63.3054 31.1847 174.6173 52 S 4.4637 8.6538 113.5189 56.7972 63.7175 168.1786 53 P 4.5601 0.0000 0.0000 62.1473 30.9759 175.7285 54 K 3.7364 9.0061 121.5231 57.2789 32.9256 174.7893 55 Y 3.4006 8.5774 126.3991 57.6539 39.3789 170.7219 56 P 4.2063 0.0000 0.0000 63.2113 34.2964 173.8277 57 Q 4.4993 8.5940 131.0065 57.0792 26.6400 176.4961 58 G 4.7705 8.7093 112.7374 47.5835 0.0000 171.4628 59 G 4.0416 7.7742 106.6882 43.2180 0.0000 173.3940 60 F 5.4385 8.5920 120.9624 57.5838 41.4103 177.3459 61 I 3.6735 8.1042 120.8350 63.8958 37.0531 176.5797 62 E 3.7394 8.2812 119.7081 55.8079 28.8910 172.2421 63 K 4.6937 7.7104 116.2660 54.8015 35.6325 175.5532 64 E 4.8646 8.9591 117.6389 56.7789 29.5832 176.5861 65 A 4.2645 8.0427 123.2938 51.4970 19.2488 179.2728 66 P 3.8675 0.0000 0.0000 63.2966 33.1115 170.8268 67 L 3.8377 7.8856 126.9003 54.1919 44.0621 173.7701 68 H 4.1761 8.8619 124.5936 56.6020 30.0423 175.5655 69 A 3.9214 8.5932 130.0615 54.6672 18.1593 178.1560 70 S 4.4657 8.5401 108.4509 59.3993 62.7888 174.6760 71 K 4.2137 8.2375 118.4836 58.0334 32.2152 176.6833 72 V 4.7163 7.4238 111.0333 59.5867 34.8767 175.1402 73 R 4.7926 8.6610 119.9234 53.6363 34.6720 173.6432 74 P 4.6882 0.0000 0.0000 63.4136 32.7426 174.7405 75 I 4.9774 7.7818 114.5049 61.4560 40.5902 172.6398 76 C 4.4250 9.0285 124.8233 59.9127 34.6708 172.2146 77 P 4.0209 0.0000 0.0000 62.6303 29.0621 171.7403 78 A 4.7963 6.7076 129.9484 51.5833 19.4901 177.7784 79 C 4.6666 8.2247 121.5338 61.7817 30.0490 175.4259 80 G 4.0283 8.6830 104.4577 46.4621 0.0000 170.5872 81 K 3.5766 8.0735 122.1880 54.6560 31.8482 173.7900 82 P 4.4003 0.0000 0.0000 62.9303 31.9160 175.8382 83 T 4.4191 8.0901 109.6456 61.1281 70.3554 174.1879 84 R 4.9334 8.4205 121.3623 54.7056 34.3917 173.9671 85 V 4.5789 8.2551 118.4316 62.0587 34.4901 175.0652 86 R 4.6065 8.8542 128.4856 54.2147 32.1117 176.0724 87 K 3.8369 8.8605 125.1854 59.2462 32.7921 178.6099 88 K 3.8510 8.0046 119.9128 54.2311 30.1547 177.0636 89 F 3.7857 8.4173 115.1177 57.5709 35.5800 174.7348 90 L 5.1404 7.5621 124.7749 55.3309 42.0635 173.3859 91 E 4.7977 7.3344 122.6729 56.1332 34.5982 176.4689 92 N 4.7581 8.7861 113.2282 52.6142 41.8496 173.7069 93 G 4.4034 8.7058 112.6416 44.4495 0.0000 171.2492 94 K 5.1848 8.5561 122.2151 54.8906 34.1849 176.0282 95 K 4.8813 8.4135 122.3768 53.0801 35.7644 177.6222 96 I 4.0610 8.3389 121.3745 61.1135 36.3571 179.8202 97 R 4.2503 8.0302 130.8300 56.0507 30.6874 174.0621 98 V 3.3904 8.9758 127.2803 62.9938 30.0838 170.6954 99 C 4.5214 7.2829 126.3859 59.4464 35.5423 175.1539 100 A 4.1487 8.6929 134.6587 54.5867 20.7851 175.0250 101 K 4.7306 7.7729 119.5430 54.7503 35.2205 176.3672 *102 C 4.3630 8.4477 119.5075 58.1099 28.5244 173.9709 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 R 8.11 4.12 0.00 1.83 1.92 0.00 3.46 0.00 0.00 3.33 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 3 V 8.43 3.11 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 0.80 0.00 0.00 0.93 0.00 0.00 4 K 8.69 4.45 0.00 1.90 1.94 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.35 7.81 5 M 7.79 4.01 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 6 H 8.97 4.89 0.00 3.26 3.52 0.00 5.55 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 7 V 6.58 2.73 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 0.73 0.00 0.00 0.91 0.00 0.00 8 K 7.45 4.56 0.00 1.62 1.66 0.00 1.44 0.00 0.00 1.62 0.00 0.00 3.32 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.41 7.81 9 K 7.86 4.80 0.00 1.79 1.80 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.36 7.81 10 G 8.53 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 7.21 5.02 0.00 2.75 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 0.00 0.00 0.00 12 T 9.63 5.07 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 13 V 9.02 4.67 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.91 0.00 0.00 14 L 8.80 4.90 0.00 1.72 1.51 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.36 4.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.03 0.00 0.00 16 A 9.76 3.99 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 17 S 8.17 4.19 0.00 4.02 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 18 G 9.28 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 19 K 9.64 3.79 0.00 1.81 2.16 0.00 2.05 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.90 1.35 7.81 20 Y 8.22 4.28 0.00 3.12 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.13 3.75 0.00 1.72 1.89 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.49 7.81 22 G 8.94 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 23 R 7.79 4.90 0.00 2.02 1.89 0.00 3.21 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.40 0.00 24 V 8.45 4.46 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 0.87 0.00 0.00 0.94 0.00 0.00 25 G 8.92 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 0.00 0.00 0.00 0.00 26 K 7.76 5.10 0.00 1.76 1.68 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.42 7.81 27 V 7.17 3.32 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 1.00 0.00 0.00 0.92 0.00 0.00 28 K 8.64 4.43 0.00 1.83 1.84 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.32 7.81 29 E 8.11 3.80 0.00 2.04 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 2.21 2.32 0.00 30 V 7.25 3.54 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 0.79 0.00 0.00 0.92 0.00 0.00 31 L 7.66 4.09 0.00 1.73 1.57 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.97 0.00 2.22 2.13 0.00 3.71 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 1.96 1.85 0.00 33 K 8.35 3.94 0.00 1.78 1.94 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.48 7.81 34 K 7.99 4.18 0.00 1.75 1.87 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.42 7.81 35 Y 7.84 3.41 0.00 3.16 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.47 5.01 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 37 V 7.83 4.51 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.96 0.00 0.00 38 I 8.12 4.52 1.88 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 1.35 0.56 0.95 0.00 0.00 39 V 7.33 3.94 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 0.75 0.00 0.00 0.89 0.00 0.00 40 E 9.00 4.58 0.00 1.95 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 2.21 2.25 0.00 41 G 7.85 3.71 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 0.00 0.00 0.00 42 V 5.62 2.93 1.76 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 1.26 0.00 0.00 0.21 0.00 0.00 43 N 8.40 5.45 0.00 2.72 2.78 0.00 0.00 7.39 7.45 0.00 0.00 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 I 6.96 3.30 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.43 0.93 0.00 0.00 45 V 8.25 3.90 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 1.04 0.00 0.00 1.05 0.00 0.00 46 K 7.82 4.54 0.00 1.77 0.74 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.32 7.81 47 K 8.66 3.14 0.00 1.76 1.80 0.00 1.21 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.30 1.32 7.81 48 A 6.50 3.67 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 49 V 7.76 3.91 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 0.81 0.00 0.00 1.00 0.00 0.00 50 R 7.73 4.14 0.00 2.09 2.00 0.00 3.34 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 51 V 7.81 3.87 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 0.79 0.00 0.00 0.89 0.00 0.00 52 S 8.65 4.46 0.00 4.05 4.28 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 53 P 0.00 4.56 0.00 2.04 2.27 0.00 3.71 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.31 0.00 54 K 9.01 3.74 0.00 1.52 1.13 0.00 1.91 0.00 0.00 1.64 0.00 0.00 3.40 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.34 7.81 55 Y 8.58 3.40 0.00 3.16 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 56 P 0.00 4.21 0.00 2.30 2.23 0.00 3.91 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 2.08 2.17 0.00 57 Q 8.59 4.50 0.00 2.16 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.65 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 58 G 8.71 4.77 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 0.00 0.00 0.00 59 G 7.77 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.59 5.44 0.00 2.88 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 61 I 8.10 3.67 1.92 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 1.48 0.77 0.95 0.00 0.00 62 E 8.28 3.74 0.00 2.34 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 2.26 2.31 0.00 63 K 7.71 4.69 0.00 1.74 1.68 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.42 7.81 64 E 8.96 4.86 0.00 1.89 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 2.41 2.41 0.00 65 A 8.04 4.26 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 66 P 0.00 3.87 0.00 2.23 2.23 0.00 3.94 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 67 L 7.89 3.84 0.00 1.89 1.60 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.86 4.18 0.00 3.25 3.19 0.00 5.73 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.59 3.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.54 4.47 0.00 4.06 3.72 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 71 K 8.24 4.21 0.00 1.85 1.85 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.58 7.81 72 V 7.42 4.72 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 0.73 0.00 0.00 0.91 0.00 0.00 73 R 8.66 4.79 0.00 1.71 1.74 0.00 3.14 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 74 P 0.00 4.69 0.00 2.10 2.21 0.00 3.72 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 2.30 1.98 0.00 75 I 7.78 4.98 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 1.28 1.11 0.92 0.00 0.00 76 C 9.03 4.43 0.00 2.91 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 77 P 0.00 4.02 0.00 2.15 2.21 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 78 A 6.71 4.80 1.16 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 0.00 0.00 79 C 8.22 4.67 0.00 2.96 2.36 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 80 G 8.68 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.07 3.58 0.00 1.89 1.81 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.44 7.81 82 P 0.00 4.40 0.00 2.04 2.01 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 83 T 8.09 4.42 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 1.21 0.00 0.00 84 R 8.42 4.93 0.00 1.95 1.88 0.00 3.09 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 85 V 8.26 4.58 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 0.81 0.00 0.00 0.94 0.00 0.00 86 R 8.85 4.61 0.00 1.92 1.88 0.00 3.17 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 87 K 8.86 3.84 0.00 2.05 2.08 0.00 1.95 0.00 0.00 2.21 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.60 1.64 7.81 88 K 8.00 3.85 0.00 1.89 2.35 0.00 1.74 0.00 0.00 1.87 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.50 7.81 89 F 8.42 3.79 0.00 3.08 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 90 L 7.56 5.14 0.00 1.75 1.79 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.33 4.80 0.00 1.74 1.53 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 2.09 2.24 0.00 92 N 8.79 4.76 0.00 2.71 2.64 0.00 0.00 6.52 7.98 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 93 G 8.71 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.56 5.18 0.00 1.85 1.89 0.00 1.13 0.00 0.00 1.19 0.00 0.00 2.72 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.31 7.81 95 K 8.41 4.88 0.00 1.70 1.71 0.00 1.68 0.00 0.00 2.04 0.00 0.00 2.81 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.43 7.81 96 I 8.34 4.06 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 1.16 0.68 0.95 0.00 0.00 97 R 8.03 4.25 0.00 1.68 1.79 0.00 3.39 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 98 V 8.98 3.39 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 0.81 0.00 0.00 0.93 0.00 0.00 99 C 7.28 4.52 0.00 2.95 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 0.00 100 A 8.69 4.15 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.77 4.73 0.00 1.76 1.72 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.49 7.81 *102 C 8.45 4.36 0.00 2.74 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 * Residues marked with a * may have inaccurate shift predictions.