NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 L 4.3701 8.1693 120.6288 54.8955 42.9017 175.8824 1 R 4.4867 7.5280 113.9645 53.5905 33.0126 173.4668 2 A 4.7677 8.6284 122.3424 50.3874 22.1774 177.4920 3 V 4.4505 8.0403 121.1025 60.1567 34.7662 172.9444 4 P 4.3330 0.0000 0.0000 63.3215 32.3400 176.3021 5 G 4.2984 8.4835 111.4857 44.9181 0.0000 172.3533 6 G 4.0513 8.4670 111.3044 43.1491 0.0000 172.3013 7 S 4.0872 8.7440 120.0686 58.2585 63.0479 174.6745 8 S 4.4582 8.4096 122.2662 57.2670 64.0215 172.5002 9 P 3.7051 0.0000 0.0000 63.7935 31.5653 175.6898 10 A 3.6640 7.4810 119.9244 53.0900 16.3549 179.3960 11 W 4.2693 8.2167 123.7170 60.8564 29.6246 178.3301 12 T 3.9492 8.1370 115.0223 66.8287 67.8687 176.5250 13 Q 3.9742 8.0252 119.2939 59.2355 28.8325 178.4457 14 C 3.6908 7.8162 117.7841 62.5297 27.8876 176.2823 15 Q 4.1523 8.3751 119.5020 59.4802 28.3282 178.5452 16 Q 3.9894 8.1477 120.2287 58.5160 28.7842 178.6382 17 L 3.9865 8.1630 121.8043 57.9483 42.0811 179.0626 18 S 4.1814 8.5430 114.7025 61.4721 63.0190 176.0728 19 Q 4.0049 8.5011 123.6948 59.0409 28.6790 178.7068 20 K 4.0177 8.1396 119.2645 59.5414 32.0862 179.3630 21 L 4.0171 8.0033 119.1343 57.6820 41.3871 179.4030 22 C 4.2451 8.0664 116.5481 63.2217 27.9381 176.1013 23 T 3.9865 7.6309 115.5378 66.7979 68.2800 176.3625 24 L 4.1468 8.3489 120.8875 57.8333 41.4394 179.5186 25 A 3.9040 7.9317 119.5612 54.6901 18.3266 179.2592 26 W 4.2883 7.8949 116.1414 58.6545 29.3632 177.9200 27 S 4.6137 7.5789 112.1472 56.7404 63.0850 174.1683 28 A 4.3704 8.1758 130.7530 52.6603 16.7799 180.7143 *47 N 4.4762 8.9095 113.6545 55.9447 39.5950 174.2850 48 D 4.7245 8.8241 118.5140 54.4419 38.6493 175.3756 49 V 3.3571 7.1437 112.1271 59.6870 32.4120 173.7298 50 P 4.2924 0.0000 0.0000 62.5156 32.0778 175.4207 51 H 5.0012 8.2538 117.3438 53.7756 31.9677 173.8719 52 I 4.0454 8.5270 123.4261 61.5899 36.1907 176.0773 53 Q 4.4492 10.0987 127.0097 54.5262 30.0757 176.9325 54 C 4.2299 8.5266 118.3986 62.1427 31.8132 174.7643 55 G 3.7445 8.0561 108.0275 47.9278 0.0000 174.5012 56 D 4.8413 8.1292 118.9594 54.5630 40.9408 176.8791 57 G 3.8337 7.4917 106.7343 46.9986 0.0000 173.6694 58 C 4.6848 8.3152 114.3025 56.4861 37.3384 174.4140 59 D 4.7023 7.6692 120.9152 52.2078 41.2986 175.0472 60 P 4.0992 0.0000 0.0000 65.9765 30.9336 178.6691 61 Q 4.0967 8.1056 117.6030 59.3241 29.1179 178.2715 62 G 3.8549 8.6222 106.7816 47.7684 0.0000 175.6033 63 L 4.0469 7.6923 120.3966 57.6958 41.7831 178.8554 64 R 4.0294 7.3218 115.8395 59.7797 30.0626 177.8228 65 D 4.7696 7.4436 115.6803 56.3072 41.6696 176.9393 66 N 4.7238 8.2478 119.1944 51.8081 40.3317 174.5759 67 S 4.3601 8.5141 119.9998 59.8029 63.4194 175.8486 68 Q 3.9502 7.9223 124.0338 59.3586 28.8421 177.6789 69 F 3.9796 8.2560 121.2378 61.2615 39.4468 177.2160 70 C 4.4558 8.2789 118.9304 59.3705 44.4206 175.3101 71 L 3.8278 8.1653 120.5106 57.9615 41.1768 179.4514 72 Q 3.8821 8.0878 119.4779 59.0821 28.8893 178.3272 73 R 3.8657 7.5859 119.4202 59.1187 30.0861 178.3606 74 I 3.8963 7.9869 119.9495 64.7797 37.0966 177.4700 75 H 4.0897 8.4897 118.9973 59.5272 29.8061 176.5771 76 Q 4.0627 8.3887 121.1948 59.6270 28.6800 179.3369 77 G 3.4247 8.4687 106.3959 47.4178 0.0000 175.8451 78 L 4.1077 8.5619 121.7171 57.7365 41.5559 179.2910 79 I 3.6081 7.7619 119.8402 64.5220 37.0907 177.9571 80 F 3.8565 7.9516 120.7202 61.7161 39.0666 176.8524 81 Y 4.0475 7.7383 116.4996 60.7497 37.4863 177.9022 82 E 3.9751 8.4655 118.6996 58.8482 29.3016 179.2624 83 K 3.8972 7.3794 120.2423 59.1485 32.6157 178.3359 84 L 4.0516 7.4298 119.1774 57.9588 41.3871 179.7021 85 L 3.1266 8.1108 117.5036 56.6941 41.6150 178.2085 86 G 3.7809 7.5643 105.7168 45.5464 0.0000 173.9649 87 S 4.5508 7.6568 115.5706 56.9147 65.5001 173.7857 88 D 4.3902 8.2483 118.8885 57.9527 40.9083 179.2438 89 I 3.5434 7.8004 118.1343 63.5195 37.0694 176.5406 90 F 4.5927 7.9146 115.9985 57.3638 40.2425 176.4703 91 T 4.2761 7.2381 111.1808 59.3995 67.2261 172.3630 *97 L 4.1011 7.7248 125.4066 55.5638 40.7550 176.0751 98 P 4.4057 0.0000 0.0000 64.8398 32.3181 176.9535 99 D 4.8548 7.4897 117.8270 51.0322 39.6185 175.6230 100 S 4.3477 7.7496 114.9031 58.3039 64.3896 173.6718 101 P 4.6073 0.0000 0.0000 64.1984 31.2257 178.6417 102 V 3.6885 7.5371 112.3013 64.2468 31.3677 178.5859 103 G 3.5294 7.9492 105.4777 47.8398 0.0000 175.6087 104 Q 4.0346 7.9852 121.8210 58.5250 29.0603 178.0820 105 L 3.9124 8.2748 120.7603 57.8574 41.7535 178.7284 106 H 3.9523 8.3214 118.0375 59.2333 29.7031 177.1358 107 A 3.9738 7.9250 122.3343 55.4042 18.1560 179.8744 108 S 4.0472 8.3180 113.8552 61.3970 62.8601 176.8244 109 L 3.9575 8.0337 121.9448 57.7432 41.4258 179.2844 110 L 4.0905 7.1903 121.3665 57.4090 42.0239 178.9467 111 G 3.6880 8.2174 105.9156 47.9576 0.0000 175.2837 112 L 3.8951 8.1219 123.7825 57.5927 41.9585 178.9823 113 S 4.2124 8.1364 114.2250 61.8133 62.8140 176.6823 114 Q 3.9991 8.0937 121.4527 58.6977 28.2467 178.5983 115 L 4.0647 7.7413 119.0468 57.3724 41.6010 179.4429 116 L 4.2778 7.5157 117.8849 56.4167 42.9122 177.8764 117 Q 4.4239 8.2147 121.4762 52.6657 29.3416 174.0632 118 P 4.3731 0.0000 0.0000 64.2579 31.9778 177.5494 119 E 4.3806 8.0661 118.0030 55.7299 30.1301 177.3814 120 G 3.6498 7.9209 107.7831 49.4649 0.0000 174.7899 121 H 4.1953 8.3675 114.5776 58.7259 28.4769 176.6878 122 H 4.3734 7.1632 119.1732 55.1795 27.0645 175.7098 *137 W 4.6921 7.8390 114.1433 56.5278 30.3409 177.7819 138 Q 4.1596 8.1650 116.8999 58.2705 28.5791 177.7157 139 R 4.5881 7.5629 119.8221 55.0364 31.2419 176.0874 140 L 4.4355 7.6981 113.6386 54.1874 41.2111 176.6193 141 L 4.6063 7.2705 113.7276 54.3242 43.3604 176.6431 142 L 4.4982 7.7673 116.1413 55.5144 40.7607 177.2911 143 R 3.8286 7.5529 118.4883 59.4758 29.1829 178.3600 144 F 4.0697 8.1747 120.8422 61.0921 39.5919 177.0723 145 K 3.9317 8.1315 117.6081 59.5488 31.9426 179.2953 146 I 3.9043 8.2892 120.5029 64.4801 37.0828 178.5795 147 L 3.9040 8.2467 120.0426 57.3218 40.8494 179.5977 148 R 3.6996 7.8499 120.4912 58.8605 29.9699 178.7912 149 S 3.9462 7.8742 113.5598 60.9462 63.0667 175.8453 150 L 3.2189 7.7914 124.0697 58.1623 41.1434 178.9436 151 Q 3.7218 7.7077 117.4148 58.8187 28.3304 179.0414 152 A 4.0637 7.4065 121.3630 54.9149 18.5928 179.2748 153 F 4.0507 8.3716 119.4138 61.7273 39.4093 177.6427 154 V 3.5641 8.2446 117.5898 65.5117 31.3505 177.8551 155 A 4.0052 7.8443 120.8556 54.9834 18.2357 179.8092 156 V 3.3921 7.5359 116.4864 65.9256 31.6537 177.7541 157 A 3.5396 7.5686 120.3592 55.3050 18.1224 179.4747 158 A 4.4147 8.1136 120.4189 54.9155 18.3768 180.0241 159 R 3.8755 7.8995 116.3496 59.2861 30.0349 179.3887 160 V 3.5011 7.6678 117.9014 66.2179 31.4797 178.1366 161 F 4.8693 8.1136 116.8205 60.0275 38.8744 177.9253 162 A 4.0575 8.3535 121.0149 55.3820 18.3083 179.1584 163 H 4.1210 8.5560 117.0962 59.2361 29.8865 177.5374 164 G 2.3979 8.2164 107.5347 47.4697 0.0000 175.3043 165 A 3.9405 7.9751 122.0227 54.5583 18.4630 178.9559 166 A 4.2548 7.5187 117.3302 53.5190 19.1600 178.1471 167 T 4.3906 7.5155 103.7761 60.8036 70.3952 174.6731 168 L 4.3869 7.4208 119.7562 54.0451 42.5743 176.3348 169 S 4.3680 7.3885 114.0841 56.9090 62.9641 172.3201 170 P 4.3838 0.0000 0.0000 64.7717 31.5332 176.5486 171 H 4.3915 7.7666 116.2593 56.5137 29.2342 174.6486 172 H 4.9750 8.0625 118.1332 55.1079 29.8840 173.4081 173 H 4.3970 8.1521 121.3466 56.4180 28.4785 175.7361 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 0 L 8.17 4.37 0.00 1.65 1.73 0.92 0.53 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 1 R 7.53 4.49 0.00 1.94 1.85 0.00 2.99 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.69 0.00 2 A 8.63 4.77 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 3 V 8.04 4.45 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 0.86 0.00 0.00 0.93 0.00 0.00 4 P 0.00 4.33 0.00 2.08 2.00 0.00 3.67 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 2.04 2.12 0.00 5 G 8.48 4.30 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 0.00 6 G 8.47 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.74 4.09 0.00 3.83 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.41 4.46 0.00 4.13 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 9 P 0.00 3.71 0.00 0.68 1.30 0.00 3.87 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 2.05 1.94 0.00 10 A 7.48 3.66 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 11 W 8.22 4.27 0.00 3.42 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 12 T 8.14 3.95 4.29 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 1.24 0.00 0.00 13 Q 8.03 3.97 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 14 C 7.82 3.69 0.00 2.70 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 15 Q 8.38 4.15 0.00 2.46 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.74 0.00 16 Q 8.15 3.99 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 17 L 8.16 3.99 0.00 1.81 1.58 0.90 0.93 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 18 S 8.54 4.18 0.00 4.25 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 19 Q 8.50 4.00 0.00 2.24 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 20 K 8.14 4.02 0.00 2.04 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.75 7.81 21 L 8.00 4.02 0.00 1.95 1.73 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.07 4.25 0.00 3.31 3.13 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 0.00 23 T 7.63 3.99 4.43 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 0.00 0.00 0.00 1.26 0.00 0.00 24 L 8.35 4.15 0.00 1.66 1.70 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.93 3.90 1.14 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 26 W 7.89 4.29 0.00 3.41 3.29 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 27 S 7.58 4.61 0.00 4.05 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 0.00 28 A 8.18 4.37 1.02 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 *47 N 8.91 4.48 0.00 2.77 2.83 0.00 0.00 6.94 8.06 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 48 D 8.82 4.72 0.00 2.84 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 49 V 7.14 3.36 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 0.80 0.00 0.00 0.77 0.00 0.00 50 P 0.00 4.29 0.00 1.91 1.62 0.00 2.37 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.05 0.00 51 H 8.25 5.00 0.00 3.16 3.26 0.00 5.70 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 52 I 8.53 4.05 1.86 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.63 0.89 0.00 0.00 53 Q 10.10 4.45 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 54 C 8.53 4.23 0.00 2.94 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 55 G 8.06 3.74 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 0.00 0.00 0.00 56 D 8.13 4.84 0.00 2.92 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 57 G 7.49 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 58 C 8.32 4.68 0.00 2.96 3.06 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 59 D 7.67 4.70 0.00 2.92 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 60 P 0.00 4.10 0.00 2.09 1.88 0.00 3.54 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 2.02 1.99 0.00 61 Q 8.11 4.10 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 62 G 8.62 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 63 L 7.69 4.05 0.00 1.91 1.78 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 64 R 7.32 4.03 0.00 1.85 1.98 0.00 3.43 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 65 D 7.44 4.77 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 66 N 8.25 4.72 0.00 2.79 2.71 0.00 0.00 7.03 7.83 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 67 S 8.51 4.36 0.00 4.49 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 68 Q 7.92 3.95 0.00 2.33 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 69 F 8.26 3.98 0.00 3.16 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 70 C 8.28 4.46 0.00 3.21 3.29 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 71 L 8.17 3.83 0.00 1.72 1.72 0.67 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.09 3.88 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.83 0.00 0.00 0.00 0.00 0.00 2.07 2.25 0.00 73 R 7.59 3.87 0.00 1.83 1.88 0.00 3.39 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 2.17 0.00 74 I 7.99 3.90 2.04 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 1.13 0.33 1.10 0.00 0.00 75 H 8.49 4.09 0.00 3.30 3.50 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.39 4.06 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 77 G 8.47 3.42 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 0.00 78 L 8.56 4.11 0.00 1.88 1.78 1.10 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.76 3.61 2.01 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.84 0.89 0.00 0.00 80 F 7.95 3.86 0.00 3.09 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 81 Y 7.74 4.05 0.00 2.91 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 82 E 8.47 3.98 0.00 2.01 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 0.00 2.22 2.53 0.00 83 K 7.38 3.90 0.00 1.80 1.68 0.00 1.59 0.00 0.00 1.60 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.39 7.81 84 L 7.43 4.05 0.00 1.87 1.74 0.37 0.59 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 85 L 8.11 3.13 0.00 1.55 1.48 0.62 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 86 G 7.56 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.66 4.55 0.00 4.02 4.30 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 88 D 8.25 4.39 0.00 2.73 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 89 I 7.80 3.54 1.53 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 1.24 0.54 0.12 0.00 0.00 90 F 7.91 4.59 0.00 3.09 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 91 T 7.24 4.28 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 1.34 0.00 0.00 *97 L 7.72 4.10 0.00 1.87 1.87 1.05 0.95 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 98 P 0.00 4.41 0.00 2.24 2.22 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 99 D 7.49 4.85 0.00 2.76 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 0.00 100 S 7.75 4.35 0.00 4.07 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 0.00 101 P 0.00 4.61 0.00 2.28 2.34 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 102 V 7.54 3.69 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 0.75 0.00 0.00 0.96 0.00 0.00 103 G 7.95 3.53 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 0.00 104 Q 7.99 4.03 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 105 L 8.27 3.91 0.00 1.75 1.59 0.82 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 106 H 8.32 3.95 0.00 3.22 3.41 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.92 3.97 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 0.00 108 S 8.32 4.05 0.00 3.94 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 0.00 109 L 8.03 3.96 0.00 1.78 1.68 0.85 0.36 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 0.00 110 L 7.19 4.09 0.00 1.66 1.75 0.88 0.79 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 0.00 111 G 8.22 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.12 3.90 0.00 1.88 1.69 1.07 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.14 4.21 0.00 4.03 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 0.00 114 Q 8.09 4.00 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 115 L 7.74 4.06 0.00 1.62 1.59 0.79 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.52 4.28 0.00 1.85 1.72 1.16 1.02 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 0.00 117 Q 8.21 4.42 0.00 1.85 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.79 0.00 0.00 0.00 0.00 0.00 2.15 2.06 0.00 118 P 0.00 4.37 0.00 2.17 2.17 0.00 3.32 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 119 E 8.07 4.38 0.00 2.06 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 2.34 2.47 0.00 120 G 7.92 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 121 H 8.37 4.20 0.00 3.24 3.44 0.00 5.54 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 H 7.16 4.37 0.00 3.23 3.29 0.00 5.70 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *137 W 7.84 4.69 0.00 3.18 3.27 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 0.00 138 Q 8.17 4.16 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.51 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 139 R 7.56 4.59 0.00 1.72 1.87 0.00 3.26 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.64 0.00 140 L 7.70 4.44 0.00 1.38 1.25 0.94 0.84 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 0.00 141 L 7.27 4.61 0.00 1.44 1.49 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.77 4.50 0.00 1.91 1.85 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 143 R 7.55 3.83 0.00 1.74 1.34 0.00 2.76 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.64 0.00 144 F 8.17 4.07 0.00 3.14 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 0.00 145 K 8.13 3.93 0.00 2.11 1.89 0.00 1.77 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 1.72 7.81 146 I 8.29 3.90 2.31 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.12 1.21 0.00 0.00 147 L 8.25 3.90 0.00 1.55 1.51 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 148 R 7.85 3.70 0.00 1.61 1.84 0.00 3.08 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.07 0.00 149 S 7.87 3.95 0.00 4.26 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 0.00 150 L 7.79 3.22 0.00 1.61 1.58 0.67 -0.40 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 0.00 151 Q 7.71 3.72 0.00 1.91 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.61 0.00 0.00 0.00 0.00 0.00 1.16 1.76 0.00 152 A 7.41 4.06 1.34 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 0.00 0.00 153 F 8.37 4.05 0.00 3.21 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 0.00 154 V 8.24 3.56 2.21 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 1.12 0.00 0.00 1.03 0.00 0.00 155 A 7.84 4.01 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 156 V 7.54 3.39 2.02 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 0.88 0.00 0.00 0.96 0.00 0.00 157 A 7.57 3.54 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 0.00 158 A 8.11 4.41 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 0.00 159 R 7.90 3.88 0.00 2.01 1.96 0.00 3.11 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 160 V 7.67 3.50 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 0.83 0.00 0.00 0.81 0.00 0.00 161 F 8.11 4.87 0.00 3.27 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 0.00 162 A 8.35 4.06 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 163 H 8.56 4.12 0.00 3.31 3.41 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 G 8.22 2.40 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 0.00 165 A 7.98 3.94 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 A 7.52 4.25 1.31 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 0.00 0.00 167 T 7.52 4.39 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 1.02 0.00 0.00 168 L 7.42 4.39 0.00 0.85 1.06 0.74 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 169 S 7.39 4.37 0.00 3.82 3.67 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 0.00 0.00 0.00 0.00 170 P 0.00 4.38 0.00 2.19 2.18 0.00 3.99 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 171 H 7.77 4.39 0.00 3.09 3.00 0.00 5.66 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 0.00 172 H 8.06 4.98 0.00 3.08 3.19 0.00 5.71 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 H 8.15 4.40 0.00 3.15 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.91 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.