NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 2.9584 8.0549 120.3547 62.0575 31.5738 175.0864 6 K 3.9560 8.1725 128.6826 57.0456 32.2226 176.7437 7 F 4.8908 6.8567 111.0467 55.3887 41.4165 172.7823 8 K 4.4208 8.5769 122.6236 55.1520 33.1941 175.8242 9 V 4.4947 8.1378 124.4765 59.9599 33.8370 174.0589 10 P 4.3637 0.0000 0.0000 62.5876 33.0534 176.7391 11 E 3.9661 9.1414 124.5095 60.4688 29.2496 179.9359 *12 E 4.0027 8.1197 117.5293 61.2618 29.9026 181.2972 13 I 4.0341 7.6284 120.2786 63.9760 37.2879 178.3905 14 Q 4.0915 8.3172 119.5199 58.6333 28.4955 178.5127 15 K 3.9994 8.0806 120.8639 59.5428 32.2630 178.8288 16 E 4.0552 7.9553 119.0265 59.1017 29.4414 179.3551 17 L 4.0261 7.9201 119.3216 57.8319 41.7250 179.4975 18 L 4.0635 8.0747 118.9191 57.8667 41.4986 179.3201 19 D 4.4083 8.3246 118.7259 57.0159 40.6090 178.6135 20 A 4.0255 8.1605 121.5937 54.8962 18.0894 179.9317 21 V 3.4941 7.5134 115.4503 66.2270 31.7848 178.0199 22 A 4.2983 7.7073 120.2904 54.1102 18.2527 178.9824 23 K 4.1631 7.8908 115.1470 56.6485 32.9017 177.4086 24 A 4.2287 6.9425 122.1167 52.6905 18.8375 177.4262 25 Q 4.3120 9.0434 120.1803 57.9368 29.9735 176.8159 26 K 4.6711 7.7857 120.4121 55.0720 35.6061 175.0139 27 I 5.2898 8.3687 119.6000 59.2895 41.5955 174.1758 28 K 4.6960 8.9403 120.9296 54.4641 35.2568 175.6551 29 K 4.6801 8.8626 123.5848 55.5325 34.7384 176.5215 30 G 3.9901 9.0890 112.0211 44.9861 0.0000 174.2981 31 A 3.9659 8.8978 123.6420 55.1580 18.2050 179.9203 32 N 4.2272 8.0446 114.7068 57.0443 39.2394 176.9226 33 E 3.9626 8.0984 119.5243 59.1929 29.5949 179.4226 34 V 3.5903 8.1199 118.7326 66.2920 31.6208 178.2887 35 T 3.9109 8.1169 115.6098 66.6063 68.3129 176.8430 36 K 3.9682 8.4376 120.5247 59.3053 32.0277 179.2983 37 A 3.9901 8.0744 121.0998 55.1203 18.3525 179.8774 38 V 3.5379 7.8416 116.7657 66.2146 31.3974 178.0198 39 E 4.0048 8.0989 117.2033 59.4843 29.4399 179.0510 40 R 4.2350 8.0420 115.6090 56.1954 30.3387 177.0993 41 G 3.8907 7.8819 106.9606 46.5311 0.0000 174.3729 42 I 4.2099 7.7043 111.2868 60.0829 38.4605 175.2613 43 A 4.4340 7.8103 123.8079 51.9747 18.5772 177.5120 44 K 4.3616 8.9750 121.6310 57.5411 33.8799 177.0679 45 L 4.6290 7.5947 120.0455 54.0056 45.7015 173.5936 46 V 4.8008 8.9877 126.7777 61.2056 34.1124 174.0600 47 I 4.8722 8.8838 128.7713 59.5861 39.8998 174.4498 48 I 4.8516 8.5083 127.8032 59.2031 39.8171 175.1492 49 A 4.7851 8.8325 129.0394 52.1947 18.9629 177.4098 50 E 4.3748 9.3704 119.8078 56.8376 31.0750 177.2225 51 D 4.8916 7.4746 120.0344 52.9581 40.6133 176.4428 52 V 3.8584 7.8222 119.6044 63.4283 32.2116 174.8542 53 K 4.7675 8.3376 125.6570 53.9259 35.7226 174.4230 54 P 4.4173 0.0000 0.0000 62.1500 31.9549 177.4579 55 E 4.2735 8.6940 122.0782 58.6568 29.3562 179.0550 56 E 3.9989 8.2746 119.4927 59.2858 29.1780 178.9971 57 V 3.7575 7.5532 117.5591 65.2108 31.9654 176.9244 58 V 4.3497 7.5101 108.4438 60.6539 32.4765 177.1268 59 A 4.1216 7.6058 122.4713 55.4552 18.3304 179.5233 60 H 4.3644 8.3245 112.9688 58.1242 28.7616 177.6040 61 L 3.7339 7.3513 121.8559 57.3539 41.5320 177.4197 62 P 2.9700 0.0000 0.0000 65.5600 31.1789 178.3082 63 Y 3.9674 8.0147 114.8729 60.8198 37.7910 177.8369 64 L 4.0016 8.1311 121.3552 58.3836 42.1916 178.8996 65 C 4.1807 8.3453 117.1083 62.7223 27.9408 175.6207 66 E 4.0633 8.0795 120.5102 59.3716 29.0477 178.4885 67 E 4.0871 8.3513 117.8703 58.0933 29.7972 177.7187 68 K 4.5048 7.6130 116.3762 55.1791 33.0718 176.4997 69 G 3.8858 7.6619 107.0760 46.4365 0.0000 173.1143 70 I 4.5006 7.9617 120.4763 58.4790 38.8160 174.3876 71 P 4.5874 0.0000 0.0000 62.9825 32.3705 174.8826 72 Y 5.4539 8.0233 119.9495 56.0972 41.3943 173.4106 73 A 4.9214 8.9652 121.6548 51.4747 23.5314 174.1986 74 Y 5.8670 8.6720 114.7830 55.6430 41.7681 176.0925 75 V 4.7153 8.2376 112.6813 59.6393 35.7706 176.0733 76 A 4.3756 9.8516 127.2185 53.9044 19.0280 177.7719 77 S 5.4005 8.1589 108.5293 54.9529 65.8577 175.2672 78 K 4.1906 9.1506 122.6317 59.9576 32.3498 179.7878 79 Q 3.9708 7.9849 119.2078 59.0641 28.6924 178.1138 80 D 4.3690 8.1892 119.9686 57.1528 40.8340 178.5739 81 L 4.0526 8.0666 121.1468 58.0496 42.0161 179.2914 82 G 3.9536 8.2694 107.1887 47.0902 0.0000 175.5764 83 K 4.2060 8.3164 123.2265 58.7674 32.2526 178.6869 84 A 3.9847 8.2507 120.9199 55.0332 18.0846 178.6570 85 A 4.3842 7.7088 116.1979 52.6146 18.5705 178.3338 86 G 3.8493 8.2088 106.3580 45.2915 0.0000 173.8245 87 L 4.5241 7.9623 120.0669 53.6455 43.1234 176.9617 88 E 4.4726 8.5189 117.8268 56.5181 30.3576 175.8364 89 V 4.4579 7.2029 111.8736 58.8933 35.2128 174.5092 90 A 4.7102 8.2702 122.9950 52.1605 18.9934 176.8833 91 A 4.6530 8.0607 121.7285 50.5096 21.9819 176.8810 92 S 4.4947 8.8387 118.5391 61.2993 64.5772 174.1505 93 S 5.0817 7.6960 112.5106 57.4344 66.0614 173.8992 94 V 5.0440 8.8333 119.9877 61.3185 35.5156 173.5257 95 A 5.1895 8.9268 127.7898 50.1819 22.0920 175.0533 96 I 4.2903 8.7770 124.2824 60.9182 38.0010 176.5785 97 I 4.1971 8.6534 128.3234 62.6630 38.8453 175.7265 98 N 4.8040 7.8065 121.0436 51.8551 41.6207 174.1775 99 E 4.5194 8.8243 126.2603 55.7596 30.6188 178.2603 100 G 3.6056 8.4454 108.7048 47.5412 0.0000 174.2125 101 D 4.5831 7.8085 118.2100 51.2912 44.0778 175.1463 102 A 4.3251 8.7310 133.0602 55.4169 18.5588 179.2281 103 E 3.9360 8.2544 116.0637 61.5311 29.6399 180.9601 104 E 4.1571 9.0900 120.0563 59.0264 29.5431 179.2571 105 L 3.9066 7.8415 120.2079 58.1395 42.2565 178.7714 106 K 3.8718 8.1052 119.5064 59.6810 32.0704 178.8411 107 V 3.5861 7.9109 118.3836 65.7926 31.4722 177.8620 108 L 3.9367 8.2616 120.5084 58.2389 41.8982 178.9353 109 I 3.7733 8.4956 122.5780 64.8242 36.8008 178.9853 *110 E 3.9580 8.0034 118.6704 61.1794 29.4408 181.7913 111 K 4.0321 7.6289 118.4273 59.4026 32.4850 179.3297 112 V 3.5925 7.8417 118.2472 65.9281 31.2981 177.8372 113 N 4.2664 8.1390 114.9357 55.5414 38.3548 176.9628 114 V 3.8977 7.1362 112.7549 62.9452 32.1206 177.8462 115 L 4.0597 7.4483 119.9242 56.9904 41.5057 177.7292 116 K 3.8051 7.3206 124.2699 54.3912 31.8069 181.5916 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 5 V 8.05 2.96 1.77 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 0.29 0.00 0.00 0.58 0.00 0.00 6 K 8.17 3.96 0.00 2.06 1.95 0.00 1.89 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.47 1.31 7.81 7 F 6.86 4.89 0.00 3.01 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 8 K 8.58 4.42 0.00 2.02 1.79 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 0.98 7.81 9 V 8.14 4.49 2.24 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 1.00 0.00 0.00 1.34 0.00 0.00 10 P 0.00 4.36 0.00 2.21 1.97 0.00 3.70 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 2.11 2.16 0.00 11 E 9.14 3.97 0.00 2.13 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 2.38 1.97 0.00 *12 E 8.12 4.00 0.00 2.01 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 2.31 1.97 0.00 13 I 7.63 4.03 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.54 0.93 0.00 0.00 14 Q 8.32 4.09 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.81 0.00 0.00 0.00 0.00 0.00 2.65 2.55 0.00 15 K 8.08 4.00 0.00 2.07 2.01 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.35 7.81 16 E 7.96 4.06 0.00 2.18 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 2.33 2.57 0.00 17 L 7.92 4.03 0.00 1.94 1.74 0.99 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.07 4.06 0.00 1.87 1.73 0.94 0.90 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 19 D 8.32 4.41 0.00 2.91 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 20 A 8.16 4.03 1.40 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 21 V 7.51 3.49 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 0.87 0.00 0.00 1.01 0.00 0.00 22 A 7.71 4.30 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 23 K 7.89 4.16 0.00 1.80 1.87 0.00 1.72 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.53 7.81 24 A 6.94 4.23 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 25 Q 9.04 4.31 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.50 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 26 K 7.79 4.67 0.00 1.78 1.60 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.44 7.81 27 I 8.37 5.29 1.95 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 1.35 0.84 0.91 0.00 0.00 28 K 8.94 4.70 0.00 1.65 1.70 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.52 7.81 29 K 8.86 4.68 0.00 1.60 1.69 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.40 7.81 30 G 9.09 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 31 A 8.90 3.97 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 32 N 8.04 4.23 0.00 2.84 2.82 0.00 0.00 7.19 7.65 0.00 0.00 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 E 8.10 3.96 0.00 2.18 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 2.36 0.00 34 V 8.12 3.59 2.13 0.00 0.00 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 1.00 0.00 0.00 35 T 8.12 3.91 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 1.25 0.00 0.00 36 K 8.44 3.97 0.00 1.92 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.66 7.81 37 A 8.07 3.99 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 38 V 7.84 3.54 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 1.03 0.00 0.00 0.95 0.00 0.00 39 E 8.10 4.00 0.00 2.16 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 2.63 2.51 0.00 40 R 8.04 4.23 0.00 1.92 1.98 0.00 3.25 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 41 G 7.88 3.89 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 0.00 0.00 0.00 42 I 7.70 4.21 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 1.39 0.73 0.91 0.00 0.00 43 A 7.81 4.43 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 44 K 8.97 4.36 0.00 1.73 1.87 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.37 7.81 45 L 7.59 4.63 0.00 1.73 1.46 0.96 0.85 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 46 V 8.99 4.80 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 0.92 0.00 0.00 0.93 0.00 0.00 47 I 8.88 4.87 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 1.24 0.55 0.92 0.00 0.00 48 I 8.51 4.85 1.44 0.00 0.00 0.43 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 0.68 0.92 0.00 0.00 49 A 8.83 4.79 1.24 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 50 E 9.37 4.37 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 2.31 2.48 0.00 51 D 7.47 4.89 0.00 2.70 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 52 V 7.82 3.86 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 1.03 0.00 0.00 1.01 0.00 0.00 53 K 8.34 4.77 0.00 1.98 1.65 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.33 1.01 7.81 54 P 0.00 4.42 0.00 2.17 2.04 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 55 E 8.69 4.27 0.00 2.30 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 0.00 2.36 1.83 0.00 56 E 8.27 4.00 0.00 2.07 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 2.39 2.43 0.00 57 V 7.55 3.76 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 0.84 0.00 0.00 0.96 0.00 0.00 58 V 7.51 4.35 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 0.85 0.00 0.00 1.02 0.00 0.00 59 A 7.61 4.12 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 60 H 8.32 4.36 0.00 3.35 3.52 0.00 5.48 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.35 3.73 0.00 1.64 1.51 0.81 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 2.97 0.00 1.88 1.71 0.00 3.81 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 2.10 1.85 0.00 63 Y 8.01 3.97 0.00 3.12 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 64 L 8.13 4.00 0.00 1.87 1.77 1.03 0.90 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 65 C 8.35 4.18 0.00 2.91 3.41 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 66 E 8.08 4.06 0.00 2.37 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 2.35 2.42 0.00 67 E 8.35 4.09 0.00 2.40 2.17 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 2.32 2.22 0.00 68 K 7.61 4.50 0.00 1.84 1.84 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.58 7.81 69 G 7.66 3.89 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 0.00 0.00 0.00 70 I 7.96 4.50 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.84 1.02 0.00 0.00 71 P 0.00 4.59 0.00 2.07 1.94 0.00 3.79 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 72 Y 8.02 5.45 0.00 2.81 2.81 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 73 A 8.97 4.92 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 74 Y 8.67 5.87 0.00 2.76 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 V 8.24 4.72 2.12 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 0.79 0.00 0.00 1.03 0.00 0.00 76 A 9.85 4.38 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 77 S 8.16 5.40 0.00 3.98 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 0.00 78 K 9.15 4.19 0.00 2.13 2.13 0.00 1.32 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.76 1.49 7.81 79 Q 7.98 3.97 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 80 D 8.19 4.37 0.00 2.86 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 81 L 8.07 4.05 0.00 1.88 1.82 0.93 1.13 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 82 G 8.27 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 0.00 0.00 0.00 0.00 83 K 8.32 4.21 0.00 1.96 2.00 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.19 7.81 84 A 8.25 3.98 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 85 A 7.71 4.38 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 86 G 8.21 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 0.00 0.00 0.00 87 L 7.96 4.52 0.00 1.94 1.59 0.92 1.11 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 88 E 8.52 4.47 0.00 2.21 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 1.88 0.00 89 V 7.20 4.46 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 90 A 8.27 4.71 1.24 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 91 A 8.06 4.65 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 92 S 8.84 4.49 0.00 3.92 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 93 S 7.70 5.08 0.00 3.84 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 94 V 8.83 5.04 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 0.97 0.00 0.00 0.93 0.00 0.00 95 A 8.93 5.19 1.21 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 0.00 0.00 0.00 96 I 8.78 4.29 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 1.23 0.65 0.91 0.00 0.00 97 I 8.65 4.20 1.99 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 1.11 0.80 0.91 0.00 0.00 98 N 7.81 4.80 0.00 2.70 2.63 0.00 0.00 7.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.82 4.52 0.00 2.12 1.86 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 2.40 2.37 0.00 100 G 8.45 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 0.00 0.00 0.00 101 D 7.81 4.58 0.00 2.65 2.59 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 0.00 102 A 8.73 4.33 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 0.00 103 E 8.25 3.94 0.00 1.98 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 2.32 1.99 0.00 104 E 9.09 4.16 0.00 2.09 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 2.33 2.68 0.00 105 L 7.84 3.91 0.00 1.77 1.79 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.11 3.87 0.00 1.86 1.96 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.45 7.81 107 V 7.91 3.59 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 0.93 0.00 0.00 1.01 0.00 0.00 108 L 8.26 3.94 0.00 1.86 1.79 0.96 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.50 3.77 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 1.37 0.70 0.91 0.00 0.00 *110 E 8.00 3.96 0.00 1.99 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 2.24 2.22 0.00 111 K 7.63 4.03 0.00 1.87 1.88 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.67 7.81 112 V 7.84 3.59 2.13 0.00 0.00 0.00 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 0.94 0.00 0.00 113 N 8.14 4.27 0.00 2.80 2.78 0.00 0.00 7.06 8.51 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 0.00 114 V 7.14 3.90 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 0.78 0.00 0.00 0.90 0.00 0.00 115 L 7.45 4.06 0.00 1.32 1.45 0.87 0.71 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 0.00 116 K 7.32 3.81 0.00 1.77 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.32 0.99 7.81 * Residues marked with a * may have inaccurate shift predictions.