NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.4373 8.3033 116.7668 55.7161 31.5347 174.3214 2 E 4.9639 8.5472 121.5665 53.6903 33.1880 173.3178 3 A 4.7788 8.8580 122.1277 51.0048 23.9030 174.7711 4 S 5.1088 8.5122 113.6276 56.1368 65.2651 175.4150 5 S 2.0000 8.6127 120.9246 60.3701 62.6860 175.9037 6 T 4.3671 7.3153 108.9697 61.8623 69.2684 175.2442 7 G 3.9098 7.9398 114.8990 45.5244 0.0000 175.8577 8 R 3.9761 8.6199 119.1514 58.6683 29.5668 178.4456 9 N 4.8972 8.0514 112.8201 52.3056 37.6864 174.7392 10 F 4.4534 7.9672 122.1358 58.8900 39.9496 174.5531 11 N 4.5910 8.3619 126.9700 50.7780 38.8120 174.6932 12 V 3.2287 7.6626 125.5406 64.5378 31.3333 177.9056 13 E 3.9654 7.8139 117.6932 59.0992 29.0432 178.9834 14 K 4.0843 7.7341 116.9647 57.7162 32.1233 178.1071 15 I 4.6498 7.3968 112.4449 60.1555 38.4537 175.4957 16 N 4.5981 7.3767 120.0162 55.1946 40.0572 174.1762 17 G 3.8356 9.0354 108.5148 43.6587 0.0000 172.0334 18 E 4.3930 8.3023 122.5793 56.2644 30.0911 177.5601 19 W 5.5826 8.5859 125.1817 55.6757 33.8310 174.0303 20 H 5.5250 9.4567 118.1407 53.0928 32.6311 173.0886 21 T 4.2813 8.9824 119.0229 64.2821 68.6089 173.5761 22 I 4.3430 8.7255 127.0175 62.5176 39.5085 175.8581 23 I 5.0144 7.0109 120.9080 59.4224 41.6153 174.1767 24 L 5.3208 8.7291 124.3420 53.0802 45.6854 175.3876 25 A 5.2261 9.1832 122.2473 50.9054 22.9785 175.0959 26 S 5.4932 8.7632 113.5861 57.4542 65.5569 174.0607 27 D 4.5637 9.0280 124.3460 54.3893 40.3510 176.5740 28 K 4.3306 8.1082 120.1289 54.0413 32.6812 176.3486 29 R 3.8895 8.2983 125.2089 58.8270 30.2684 178.5046 30 E 4.3233 8.0396 115.0045 58.4068 29.7319 179.1219 31 K 4.0210 7.9785 119.0869 58.1559 32.0959 178.0124 32 I 4.4645 7.4291 109.6557 60.2500 38.2003 175.3157 33 E 4.3340 7.6507 121.7766 55.6375 30.4153 177.0167 34 D 4.4316 8.7107 119.0191 57.7155 40.6976 178.0761 35 N 4.8836 8.0661 112.7252 52.7498 39.1588 174.8734 36 G 3.9050 8.3790 109.1308 45.0528 0.0000 175.4052 37 N 4.4314 8.8302 119.6642 55.1519 38.7580 175.9280 38 F 4.5800 8.2324 115.4634 57.1755 39.4568 177.0216 39 R 4.1521 7.5524 123.1354 54.8620 28.0792 174.5472 40 L 4.6358 7.4073 119.6947 52.2384 45.1920 176.1422 41 F 4.7165 9.1203 122.3104 55.4853 40.2876 175.0781 42 L 4.1463 9.2228 127.2556 55.3977 42.9868 177.0376 43 E 4.6295 9.1159 123.2693 57.6526 32.9090 175.8044 44 Q 5.0540 7.4370 114.0946 55.3669 32.1374 173.2051 45 I 4.8406 8.7989 121.3340 59.8644 40.4432 174.0135 46 H 5.3058 9.1820 128.1976 54.5564 31.3400 173.6545 47 V 4.2466 8.8498 127.4255 62.2904 32.0594 175.3134 48 L 4.7454 8.3897 127.9234 52.3740 44.7062 176.0106 49 E 4.1062 8.9257 119.4642 59.4655 29.5533 177.6824 50 K 4.8874 7.8748 115.0213 55.5710 34.6196 175.3400 51 S 5.1914 7.8964 114.1115 57.7964 66.5880 172.9534 52 L 5.0895 9.0764 120.3076 52.9165 44.8938 175.9225 53 V 4.6281 8.8761 124.1777 61.5767 33.3537 174.3011 54 L 4.7693 9.0822 128.9233 53.0812 43.7670 175.5081 55 K 4.9530 8.3136 123.8485 54.6971 34.4609 175.6295 56 F 5.5170 9.5912 123.2087 55.8604 43.6218 173.3680 57 H 5.5658 9.0146 115.2211 54.3917 31.7098 174.1677 58 G 4.2346 8.7722 104.5736 47.0091 0.0000 173.3024 *69 S 4.4771 7.6925 115.3885 58.0258 64.8988 172.5631 70 E 4.8989 8.6347 119.7678 55.7852 30.7925 175.8750 71 L 4.8350 9.0348 124.6706 53.4269 45.6790 174.8752 72 S 5.3081 8.8623 119.9598 56.8629 65.4438 172.8088 73 M 4.9300 9.0584 124.9959 53.6691 36.4536 174.0927 74 V 4.7783 8.6273 122.4730 61.3109 33.4384 174.3802 75 A 5.0522 9.2751 130.6817 50.6015 21.0803 175.1038 76 D 5.2436 9.0431 123.1745 52.4017 43.3497 176.4975 77 K 3.8380 8.4916 122.1908 57.3841 32.7109 176.9820 78 T 4.5554 7.6473 114.9815 60.3087 70.9965 174.1544 79 E 4.0593 8.8844 119.6689 58.3055 30.0838 176.9909 80 K 4.3849 7.5061 118.7600 54.3715 34.1846 175.9003 81 A 4.0227 8.3775 126.0012 53.7732 18.6469 177.8274 82 G 4.1214 8.7326 109.6891 46.1172 0.0000 172.5445 83 E 4.7391 7.5690 121.0854 54.5920 32.0397 174.2754 84 Y 5.1186 8.3089 122.7718 56.0092 42.3658 174.4786 85 S 5.2523 9.0005 116.5082 56.8131 66.7781 173.2530 86 V 4.8234 8.4428 119.8780 60.9574 35.0427 173.1330 87 T 4.9398 8.5983 120.5520 63.2250 69.3428 173.9851 88 Y 4.2744 9.2869 124.8182 57.9642 42.3335 173.5811 89 D 3.9873 9.3846 129.2871 55.3272 40.0501 170.9127 90 G 3.8605 7.8123 104.1761 43.9818 0.0000 170.7354 91 F 5.2446 9.1284 121.6562 56.6195 41.3997 175.5451 92 N 5.4706 8.4715 123.3300 51.4691 41.9770 173.5782 93 T 5.0277 8.4720 112.4159 59.9020 72.2115 172.7901 94 F 5.5717 8.9586 118.3788 55.8311 42.1680 172.9492 95 T 5.2383 9.0715 109.4073 60.3994 73.0238 172.8265 96 I 5.0010 8.6616 122.1460 57.5246 37.4656 174.7657 97 P 4.3602 0.0000 0.0000 65.3464 32.2136 176.9614 98 K 4.7623 7.8471 120.3739 55.6523 35.6948 174.3269 99 T 4.5195 8.9267 121.3245 60.3984 71.4387 173.4194 100 D 4.7460 6.9225 124.1603 51.7911 39.8712 178.0010 101 Y 4.1981 7.7433 123.7232 59.5769 37.4440 170.4913 102 D 4.7315 8.6467 116.9705 54.8907 42.2731 176.1805 103 N 5.1286 8.5928 114.0567 54.1134 41.3150 174.1838 104 F 5.9141 9.1253 112.6297 55.1757 42.2622 173.1267 105 L 4.6677 9.0715 121.0164 53.8816 45.0096 174.4505 106 M 5.3343 9.5991 126.2591 53.6164 34.6012 174.7742 107 A 5.0444 9.2342 125.2737 50.3153 22.8315 174.2590 108 H 5.2316 9.2589 120.4247 54.2449 32.8586 172.2392 109 L 5.2677 8.9958 127.4692 53.2614 45.7477 174.7847 110 I 4.6142 8.6881 126.2648 59.4497 39.8853 173.9289 111 N 5.2484 8.1701 125.7533 51.7582 41.5058 173.1880 112 E 5.4674 9.1542 124.4442 53.4645 33.0890 174.8517 113 K 4.7421 8.3913 125.0214 55.5004 36.0903 175.6152 114 D 4.5041 9.9952 126.0994 55.4839 38.3960 174.8116 115 G 3.9111 8.6107 105.3326 45.5569 0.0000 173.5055 116 E 4.6777 8.0872 119.7624 55.0079 32.0863 174.1045 117 T 5.7523 8.2290 112.6062 61.2616 70.6610 172.2811 118 F 5.0061 8.1690 118.8346 55.9570 41.8880 172.4817 119 Q 4.7846 9.4885 119.0856 54.3073 30.9073 174.5448 120 L 5.2281 8.7115 125.6994 53.5104 45.1223 174.8578 121 M 5.3491 9.4639 125.3520 53.5704 35.6806 174.9003 122 G 4.4136 9.2588 108.6433 43.0369 0.0000 170.9765 123 L 4.6356 7.7938 125.0807 52.8664 44.3049 174.7292 124 Y 5.1854 8.9380 123.9434 56.1401 41.6393 174.9723 125 G 4.5699 9.3321 109.1161 44.5438 0.0000 174.1113 126 R 3.7236 8.9570 120.7891 58.1410 30.3729 177.1447 127 E 4.5285 8.0308 117.5320 53.9408 31.5411 174.6680 128 P 4.3937 0.0000 0.0000 63.8518 31.1800 175.4536 129 D 4.7000 7.4598 115.9066 53.2381 44.4844 173.4121 130 L 4.9488 7.9523 120.4874 51.6512 45.9074 177.3368 131 S 4.3737 8.3665 115.1545 58.3582 64.8680 175.4257 132 S 4.1565 8.5864 118.1743 61.7122 62.6979 176.3870 133 D 4.3174 8.0401 121.9745 57.3794 40.6634 178.6739 134 I 3.5739 7.6450 119.9362 64.2163 37.0451 178.6600 135 K 4.0056 8.1234 119.4127 59.3354 31.8146 179.0404 136 E 3.9448 8.4624 119.8981 59.3405 29.5773 179.0409 137 R 3.8980 8.0571 118.1461 59.1467 29.9529 178.8526 138 F 4.1488 8.3745 120.3397 61.1886 39.4016 177.0531 139 A 3.7986 8.1009 120.4791 55.2001 18.1728 179.6592 140 Q 3.8888 8.1696 116.6506 58.9239 28.5239 178.7213 141 L 3.9171 7.5069 120.5559 58.1715 42.3946 178.3499 142 C 4.0343 7.8524 117.0355 62.7792 28.0446 175.6233 143 E 3.8727 8.1327 120.7122 59.4452 28.9863 178.6889 144 E 4.0809 7.9896 116.7848 58.4572 29.4365 177.3674 145 H 4.6270 7.8286 114.7680 55.1156 29.1103 174.6102 146 G 3.8089 8.0567 106.7701 46.4884 0.0000 173.7434 147 I 4.3349 7.5544 120.1813 58.8229 38.6038 175.9468 148 L 4.2173 8.2238 125.5747 54.2777 42.4845 178.2958 149 R 3.8869 8.6864 120.8977 59.4200 30.1254 178.6775 150 E 4.0838 8.1542 113.8062 58.2153 30.0217 176.9447 151 N 4.7881 8.3775 117.2260 52.9847 38.8730 173.4521 152 I 4.8654 7.6665 120.2279 59.6615 39.1636 175.1570 153 I 4.4338 8.9580 128.4141 59.2720 39.7287 174.4379 154 D 4.7440 8.8359 128.0421 53.8610 41.7272 175.7535 155 L 4.7852 9.0755 125.5298 54.5316 42.2181 178.5817 156 S 4.2388 8.7586 115.8841 60.5558 63.0107 174.5488 157 N 4.7435 8.2040 117.2086 52.9184 38.9669 174.0679 158 A 4.3555 7.8775 125.4550 52.4320 19.2448 176.5859 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 1 E 8.30 4.44 0.00 1.91 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 1.91 0.00 2 E 8.55 4.96 0.00 1.93 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 2.18 2.44 0.00 3 A 8.86 4.78 1.38 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 0.00 0.00 4 S 8.51 5.11 0.00 4.03 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 5 S 8.61 2.00 0.00 3.42 3.34 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 0.00 6 T 7.32 4.37 4.19 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 1.15 0.00 0.00 7 G 7.94 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 0.00 0.00 0.00 8 R 8.62 3.98 0.00 1.84 1.86 0.00 3.26 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 9 N 8.05 4.90 0.00 2.89 2.99 0.00 0.00 5.95 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 F 7.97 4.45 0.00 3.13 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 11 N 8.36 4.59 0.00 2.53 2.16 0.00 0.00 6.64 7.33 0.00 0.00 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 V 7.66 3.23 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 0.82 0.00 0.00 1.16 0.00 0.00 13 E 7.81 3.97 0.00 2.11 1.97 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 2.29 2.30 0.00 14 K 7.73 4.08 0.00 0.82 1.17 0.00 0.84 0.00 0.00 1.04 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.15 1.02 7.81 15 I 7.40 4.65 2.08 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.70 1.26 0.00 0.00 16 N 7.38 4.60 0.00 2.80 2.82 0.00 0.00 7.36 8.12 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 17 G 9.04 3.84 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 0.00 0.00 0.00 18 E 8.30 4.39 0.00 1.86 1.65 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 0.00 2.16 2.24 0.00 19 W 8.59 5.58 0.00 3.09 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 20 H 9.46 5.53 0.00 3.27 3.28 0.00 5.62 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 21 T 8.98 4.28 4.37 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 1.03 0.00 0.00 22 I 8.73 4.34 1.79 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.91 0.87 0.00 0.00 23 I 7.01 5.01 1.36 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 0.53 1.07 0.00 0.00 24 L 8.73 5.32 0.00 1.54 1.52 0.85 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 25 A 9.18 5.23 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 26 S 8.76 5.49 0.00 3.91 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 27 D 9.03 4.56 0.00 2.72 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 28 K 8.11 4.33 0.00 1.29 1.44 0.00 1.59 0.00 0.00 1.47 0.00 0.00 2.83 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.26 1.31 7.81 29 R 8.30 3.89 0.00 1.80 1.89 0.00 3.17 0.00 0.00 3.55 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 30 E 8.04 4.32 0.00 2.13 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 0.00 2.21 2.19 0.00 31 K 7.98 4.02 0.00 1.46 1.69 0.00 1.52 0.00 0.00 1.53 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.91 0.21 7.81 32 I 7.43 4.46 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 1.32 0.73 0.96 0.00 0.00 33 E 7.65 4.33 0.00 2.19 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 2.32 2.42 0.00 34 D 8.71 4.43 0.00 2.66 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 35 N 8.07 4.88 0.00 2.70 2.82 0.00 0.00 6.87 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 36 G 8.38 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 0.00 0.00 0.00 37 N 8.83 4.43 0.00 2.70 2.56 0.00 0.00 6.88 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 38 F 8.23 4.58 0.00 3.25 3.17 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 39 R 7.55 4.15 0.00 1.76 1.85 0.00 3.45 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 40 L 7.41 4.64 0.00 1.08 1.00 -0.34 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 41 F 9.12 4.72 0.00 2.76 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 42 L 9.22 4.15 0.00 1.77 1.64 0.04 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.12 4.63 0.00 1.92 1.89 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 2.30 2.31 0.00 44 Q 7.44 5.05 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.85 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 45 I 8.80 4.84 2.18 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.55 0.88 0.00 0.00 46 H 9.18 5.31 0.00 3.14 3.16 0.00 5.59 0.00 0.00 0.00 0.00 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.85 4.25 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 0.82 0.00 0.00 1.02 0.00 0.00 48 L 8.39 4.75 0.00 1.74 1.56 0.92 0.89 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 49 E 8.93 4.11 0.00 1.93 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 0.00 2.31 2.35 0.00 50 K 7.87 4.89 0.00 1.73 1.75 0.00 1.77 0.00 0.00 1.88 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.41 7.81 51 S 7.90 5.19 0.00 4.05 4.12 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 52 L 9.08 5.09 0.00 1.42 1.46 0.29 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.88 4.63 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 1.06 0.00 0.00 0.96 0.00 0.00 54 L 9.08 4.77 0.00 1.57 1.06 0.87 0.49 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 55 K 8.31 4.95 0.00 1.55 1.65 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.47 7.81 56 F 9.59 5.52 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 57 H 9.01 5.57 0.00 3.34 3.63 0.00 5.49 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 58 G 8.77 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 0.00 0.00 0.00 0.00 *69 S 7.69 4.48 0.00 3.97 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 70 E 8.63 4.90 0.00 1.91 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 2.31 2.26 0.00 71 L 9.03 4.84 0.00 1.71 1.54 0.76 0.53 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 72 S 8.86 5.31 0.00 3.90 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 73 M 9.06 4.93 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 74 V 8.63 4.78 2.14 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 0.84 0.00 0.00 0.98 0.00 0.00 75 A 9.28 5.05 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 76 D 9.04 5.24 0.00 2.66 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 77 K 8.49 3.84 0.00 1.58 1.56 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.04 1.36 7.81 78 T 7.65 4.56 4.21 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 1.15 0.00 0.00 79 E 8.88 4.06 0.00 1.96 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 2.29 2.27 0.00 80 K 7.51 4.38 0.00 1.87 1.88 0.00 1.48 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.27 7.81 81 A 8.38 4.02 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 82 G 8.73 4.12 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 0.00 0.00 0.00 83 E 7.57 4.74 0.00 1.95 1.71 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 2.04 2.24 0.00 84 Y 8.31 5.12 0.00 1.43 2.34 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 0.00 85 S 9.00 5.25 0.00 3.78 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 86 V 8.44 4.82 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 0.90 0.00 0.00 1.09 0.00 0.00 87 T 8.60 4.94 4.36 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 1.35 0.00 0.00 88 Y 9.29 4.27 0.00 2.84 2.84 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 89 D 9.38 3.99 0.00 1.73 2.39 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 0.00 90 G 7.81 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 0.00 0.00 0.00 91 F 9.13 5.24 0.00 3.13 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 92 N 8.47 5.47 0.00 2.80 2.67 0.00 0.00 6.10 6.52 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 93 T 8.47 5.03 4.13 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 0.00 0.00 0.00 1.00 0.00 0.00 94 F 8.96 5.57 0.00 3.12 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 95 T 9.07 5.24 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 1.23 0.00 0.00 96 I 8.66 5.00 1.71 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 0.92 1.56 0.95 0.00 0.00 97 P 0.00 4.36 0.00 2.11 2.21 0.00 4.11 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 98 K 7.85 4.76 0.00 1.97 1.87 0.00 1.87 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.85 7.81 99 T 8.93 4.52 4.07 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 0.90 0.00 0.00 100 D 6.92 4.75 0.00 2.71 2.53 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 0.00 101 Y 7.74 4.20 0.00 3.18 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 0.00 102 D 8.65 4.73 0.00 2.65 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 0.00 103 N 8.59 5.13 0.00 3.16 3.02 0.00 0.00 6.65 8.13 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 0.00 104 F 9.13 5.91 0.00 3.10 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 0.00 105 L 9.07 4.67 0.00 0.31 0.81 0.16 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 106 M 9.60 5.33 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.65 0.00 107 A 9.23 5.04 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 0.00 108 H 9.26 5.23 0.00 3.12 3.14 0.00 5.53 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 9.00 5.27 0.00 1.64 1.46 0.94 0.60 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 0.00 110 I 8.69 4.61 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.93 0.83 0.00 0.00 111 N 8.17 5.25 0.00 2.04 1.42 0.00 0.00 6.56 7.22 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 0.00 112 E 9.15 5.47 0.00 2.09 1.89 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 2.25 2.08 0.00 113 K 8.39 4.74 0.00 1.99 1.69 0.00 2.22 0.00 0.00 1.91 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.52 7.81 114 D 10.00 4.50 0.00 2.88 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 0.00 115 G 8.61 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 0.00 0.00 0.00 116 E 8.09 4.68 0.00 2.17 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 2.26 2.38 0.00 117 T 8.23 5.75 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 1.23 0.00 0.00 118 F 8.17 5.01 0.00 3.26 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 0.00 119 Q 9.49 4.78 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 120 L 8.71 5.23 0.00 1.64 1.33 1.08 0.81 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 0.00 121 M 9.46 5.35 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 122 G 9.26 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 0.00 0.00 0.00 0.00 123 L 7.79 4.64 0.00 0.27 0.45 0.77 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 124 Y 8.94 5.19 0.00 2.63 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 0.00 125 G 9.33 4.57 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 0.00 0.00 0.00 126 R 8.96 3.72 0.00 1.61 1.77 0.00 2.56 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.51 0.00 127 E 8.03 4.53 0.00 2.18 1.83 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 2.29 2.30 0.00 128 P 0.00 4.39 0.00 1.98 1.99 0.00 3.62 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.78 0.00 129 D 7.46 4.70 0.00 2.63 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.95 4.95 0.00 1.61 1.52 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 131 S 8.37 4.37 0.00 4.05 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 0.00 132 S 8.59 4.16 0.00 4.07 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 0.00 133 D 8.04 4.32 0.00 2.78 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 0.00 134 I 7.65 3.57 1.81 0.00 0.00 1.00 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 0.59 0.00 0.00 135 K 8.12 4.01 0.00 1.97 1.88 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.42 1.63 7.81 136 E 8.46 3.94 0.00 2.06 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 2.29 2.38 0.00 137 R 8.06 3.90 0.00 1.92 1.86 0.00 3.14 0.00 0.00 2.93 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 138 F 8.37 4.15 0.00 3.00 3.21 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 0.00 139 A 8.10 3.80 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 0.00 140 Q 8.17 3.89 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.76 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 141 L 7.51 3.92 0.00 1.59 1.65 1.01 1.11 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 0.00 142 C 7.85 4.03 0.00 2.87 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 0.00 143 E 8.13 3.87 0.00 1.98 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 0.00 2.27 2.32 0.00 144 E 7.99 4.08 0.00 2.13 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 2.29 2.44 0.00 145 H 7.83 4.63 0.00 3.20 3.28 0.00 5.74 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 0.00 146 G 8.06 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 0.00 147 I 7.55 4.33 1.92 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.67 0.88 0.00 0.00 148 L 8.22 4.22 0.00 1.69 1.57 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 149 R 8.69 3.89 0.00 1.85 1.99 0.00 3.11 0.00 0.00 3.38 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 150 E 8.15 4.08 0.00 2.07 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 0.00 2.26 2.32 0.00 151 N 8.38 4.79 0.00 2.93 3.05 0.00 0.00 6.71 7.90 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 0.00 152 I 7.67 4.87 2.01 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 1.21 0.73 1.06 0.00 0.00 153 I 8.96 4.43 1.88 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 1.12 1.06 0.93 0.00 0.00 154 D 8.84 4.74 0.00 2.70 2.60 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 0.00 0.00 0.00 0.00 155 L 9.08 4.79 0.00 1.74 1.91 0.73 0.78 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 0.00 156 S 8.76 4.24 0.00 3.98 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 0.00 157 N 8.20 4.74 0.00 2.71 2.84 0.00 0.00 6.74 7.96 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 0.00 158 A 7.88 4.36 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 * Residues marked with a * may have inaccurate shift predictions.