NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 K 4.3374 8.3149 122.1409 53.9649 33.4828 175.3767 13 L 4.0116 8.1923 119.9197 54.3971 42.1824 175.9980 14 L 4.3566 8.4720 122.4993 54.1288 41.9760 175.9105 15 T 4.6202 8.1416 117.3447 59.9766 70.4311 173.5252 16 V 4.1855 8.1146 125.9657 61.2242 33.9758 174.3026 17 D 4.5302 8.6079 128.3722 53.1920 40.7597 176.5894 18 T 2.7056 8.1381 116.8482 62.5219 68.9384 174.9989 19 T 4.3939 8.4181 111.8927 61.9863 69.6465 175.2501 20 A 4.2703 7.8851 123.9432 53.7598 18.9018 176.7336 21 H 4.9861 7.8093 111.2711 53.5116 32.8720 171.5074 22 P 4.7928 0.0000 0.0000 62.3687 32.1268 176.1146 23 F 4.4540 8.8339 117.8451 57.3821 40.1536 175.0816 24 L 4.3696 8.8861 122.0793 54.7942 42.4138 176.6232 25 K 4.7671 9.7036 124.4865 56.6203 33.2186 176.7139 26 A 4.5017 9.1020 125.8744 51.2672 15.9538 175.2656 27 L 2.4400 8.3604 122.5247 55.2687 42.7946 177.4775 28 G 3.9502 7.8283 113.7924 46.5716 0.0000 174.2753 29 G 3.8238 8.0796 105.5995 45.6552 0.0000 174.6970 30 H 4.4873 8.1001 118.5533 53.8070 27.8599 174.2731 31 E 4.1439 8.4663 125.4058 57.8081 30.1580 176.6757 32 G 4.0135 9.2071 112.9744 45.0904 0.0000 172.5325 33 T 4.5785 7.7539 116.2069 62.1587 70.1660 173.3914 34 D 5.5903 8.5300 126.8954 52.3892 44.5079 175.5151 35 I 5.2640 8.7709 114.1423 59.3238 41.8937 173.9043 36 F 4.5997 8.7981 125.2160 55.5547 41.4103 172.6180 37 P 4.3983 0.0000 0.0000 62.5529 32.2413 174.7881 38 L 4.6086 8.4090 119.3465 55.7890 43.6737 176.2952 39 F 5.5865 7.9560 116.8109 55.5236 42.9793 174.2432 *41 D 4.3359 8.1895 120.6891 53.1814 40.3484 173.4840 42 P 4.0843 0.0000 0.0000 64.9143 31.8106 178.5733 43 Y 4.1193 7.5409 114.9214 60.1850 38.0485 175.6615 44 N 4.6059 8.5280 115.6643 52.5504 39.9166 174.3156 45 G 3.9070 7.6680 104.8392 47.2107 0.0000 171.8692 46 L 5.2810 7.9237 117.4312 52.1203 46.4274 174.7760 *48 V 4.2697 7.8147 118.9850 62.7812 33.0486 174.1524 *50 R 4.6790 8.2926 123.5234 56.1400 31.9042 174.2548 51 A 5.1674 9.1854 124.0589 50.1547 23.1237 174.7405 52 S 4.9741 8.8996 115.8955 56.4740 65.2702 172.6457 53 F 5.5258 9.3783 126.0785 55.5481 41.5903 175.5069 54 A 4.9291 8.5987 125.0462 50.3854 19.3414 175.4001 55 P 4.2828 0.0000 0.0000 63.3069 32.1980 177.2623 56 G 3.8986 8.4326 110.3376 45.9710 0.0000 173.5853 57 L 4.5442 8.2455 119.8130 54.2209 43.6902 176.5731 58 T 4.9021 8.1542 117.2148 62.1990 71.4801 173.9140 59 L 4.4046 8.6274 127.0230 53.2502 42.9953 175.3350 60 P 4.5154 0.0000 0.0000 61.9739 32.5772 176.6998 61 L 4.1955 8.1191 120.8011 55.7571 42.8334 175.9355 62 H 5.3501 9.1417 121.6847 54.0299 31.3180 173.1010 63 F 4.8941 9.3999 127.4391 57.4723 40.9745 173.9942 64 H 5.0729 8.1110 124.3235 54.8520 29.5012 176.3998 65 T 4.1208 8.7942 114.5750 63.8216 69.6366 174.1073 66 G 4.3563 7.6010 108.1116 44.6231 0.0000 171.7998 67 T 4.4495 8.3790 108.9123 61.3810 70.7638 173.8191 68 V 4.5907 8.1740 122.2604 61.5683 34.8484 174.1872 69 H 5.3215 8.8579 123.6753 54.1458 32.8570 172.3837 *71 Y 5.0659 8.1227 120.1349 58.1601 40.3937 173.7009 72 T 4.7149 8.3796 124.1278 62.8082 69.3557 175.7596 73 I 4.0203 8.9133 129.2734 64.1520 37.9431 176.3238 74 S 4.3995 8.1951 114.0726 58.2726 65.9607 174.7856 75 G 4.0947 10.2711 106.1015 45.5035 0.0000 172.0143 76 C 5.1005 8.7590 120.0822 58.4616 35.2547 174.0122 77 W 5.4218 8.6108 122.5801 55.6072 32.0011 172.8957 78 Y 4.5891 8.0991 116.7959 56.0578 41.2827 173.2306 79 Y 5.2390 8.4718 118.0928 57.6205 39.2727 176.6344 80 T 4.0067 8.8162 121.1148 66.9981 68.6808 174.9023 81 E 4.1902 8.2529 117.8494 56.9180 30.8008 175.2403 82 Y 4.8459 8.1429 115.2079 57.0349 38.4222 174.7562 83 P 4.1888 0.0000 0.0000 65.0731 32.1844 178.0336 84 G 3.8569 7.9666 106.1675 45.8105 0.0000 173.7220 85 Q 4.5803 7.6041 117.1189 54.1847 28.9517 175.6727 86 K 4.0611 7.5666 117.3049 56.5510 33.8797 178.2103 87 Q 4.2162 8.7490 123.8673 54.5794 30.5242 174.9036 88 T 5.2566 8.1284 114.0152 58.0579 72.8903 172.6119 89 A 4.1054 8.5680 123.4885 54.5460 18.3430 178.1257 90 G 4.1893 8.6296 111.2163 45.1892 0.0000 173.0433 91 C 4.5509 7.5860 118.0606 59.0077 29.7116 172.0394 92 Y 5.2755 8.6538 123.1930 55.7835 41.2195 174.3229 93 L 4.5218 7.8035 126.3276 53.1894 45.3865 174.4883 94 Y 4.6580 8.4038 126.4689 55.7990 40.9877 174.1464 95 E 4.5262 8.3115 126.8590 53.7433 31.8904 174.2818 96 P 4.4773 0.0000 0.0000 61.6394 33.4407 175.8399 97 G 3.7009 8.3289 107.7419 47.2992 0.0000 174.2119 98 G 3.9658 9.1527 111.3099 44.3958 0.0000 173.6561 99 S 4.5977 7.1008 114.7442 56.9767 65.2360 172.9945 100 I 4.8201 7.9985 121.8713 59.7268 40.2138 173.9551 101 H 4.8607 8.7972 124.6595 54.3079 34.1602 172.0775 102 Q 4.6548 8.3789 119.6475 54.3090 31.9725 173.8675 103 F 4.7497 8.9465 129.5265 58.3658 40.9929 173.7028 104 N 5.3956 7.8675 121.5711 51.6383 43.5076 173.2594 105 T 4.8077 8.3155 111.7460 58.9839 71.7003 171.7596 106 P 4.5785 0.0000 0.0000 62.6180 32.0243 177.5866 107 R 4.0139 8.8464 123.1165 59.3869 30.1723 177.0918 108 D 4.6101 7.9832 115.0407 54.6714 41.3824 176.2160 109 N 4.2810 7.8599 119.2212 54.2459 39.0895 175.5441 110 E 4.2644 8.9570 118.2294 59.3564 31.0491 175.4788 111 G 4.1119 7.0050 108.1150 46.4727 0.0000 176.6120 112 Q 4.7203 8.8485 124.8471 55.6812 30.4780 173.5279 113 T 5.0161 9.0094 118.5524 62.0140 71.4320 172.9654 114 E 5.2105 9.2635 126.3682 54.7793 31.9935 175.7064 115 V 5.2395 9.2412 117.3945 59.6004 36.3025 174.3597 116 I 4.9892 8.7416 121.9387 59.4449 40.6035 174.9932 117 F 5.1905 7.8502 123.5216 56.6289 39.7812 173.2401 *119 L 4.2735 8.4551 120.6739 55.1419 42.7346 176.1642 120 S 4.8562 8.8352 122.5528 58.1040 65.1893 176.2678 121 G 3.8834 9.2993 111.1622 45.3308 0.0000 172.1593 122 C 4.9488 9.2595 120.4284 57.7633 35.8981 173.7115 123 N 5.5157 8.6785 120.6353 51.7277 40.5905 173.9741 124 V 4.6732 8.7870 123.6063 61.4426 33.8636 173.9791 125 N 5.4801 8.6981 125.4113 51.6556 40.9033 173.9395 126 F 5.3832 9.0075 121.0778 55.8018 43.8411 174.9217 127 T 4.3745 8.6415 111.5884 60.5333 70.0446 175.8704 128 Q 4.0302 8.6295 120.6219 59.0485 28.6379 177.7222 129 D 4.5140 8.0683 114.3970 53.5519 39.8290 176.4928 130 G 3.8569 8.4534 108.4020 46.7128 0.0000 173.4486 131 T 4.3688 7.9685 117.0395 61.9210 69.0023 174.0090 132 Y 4.1503 8.7927 127.8517 57.8759 39.1787 176.1492 133 L 3.9510 9.6255 128.4916 54.3721 42.9216 177.0933 134 G 3.5983 5.5464 104.5143 43.6287 0.0000 170.4643 135 L 5.0690 7.6708 119.4079 53.3580 44.0184 177.6731 136 S 4.6023 9.2092 118.8969 56.7254 64.9981 173.1383 137 D 5.1203 8.1879 124.6102 51.2928 42.1358 177.3526 138 A 4.1041 8.7059 119.6840 55.1565 18.0577 180.0631 139 G 3.4082 7.9750 103.8872 47.9033 0.0000 175.9882 140 V 3.6195 8.3327 121.4477 65.7518 31.5659 178.2083 141 I 3.7604 7.6776 119.4462 64.1723 36.8421 178.2572 142 K 3.8659 8.2157 120.5745 59.6948 31.9733 178.5133 143 N 4.3319 8.2783 116.6754 56.0250 38.4386 177.2488 144 W 3.9621 8.1743 129.8148 60.3057 30.7666 178.2346 145 V 3.3492 8.4164 118.6623 66.1853 30.6874 177.8043 146 D 4.3296 8.3643 118.9462 57.1605 40.4997 178.8302 147 R 3.7203 7.6389 118.7508 59.2804 30.1119 178.4954 148 A 3.4752 7.6237 120.9018 54.7879 18.0260 179.4946 149 I 3.4888 7.7001 118.7858 64.5011 37.1950 178.5831 150 R 3.7812 7.4955 118.9683 59.5992 29.8215 178.4415 151 E 3.8913 8.0649 117.3519 59.3243 29.5375 178.1472 152 Q 4.1288 8.4046 115.1845 55.2031 29.4999 174.9391 153 D 4.2334 7.3762 117.1068 55.0978 39.9784 172.5827 154 N 4.8299 8.3162 116.8119 52.2984 40.8620 174.2087 155 G 3.9774 8.4366 112.7830 45.0900 0.0000 173.6759 156 L 4.0413 7.8848 120.3932 55.0873 41.1948 176.3982 157 R 4.7107 8.2205 117.3335 54.6692 33.7818 173.9126 158 Y 5.0590 7.6925 117.2189 55.7015 41.9553 173.8784 159 I 4.3890 9.0637 120.5870 60.0633 38.9554 175.1851 160 A 4.6920 8.2280 126.9330 49.9732 22.1841 174.7991 161 A 4.5312 8.3026 122.8896 50.4886 20.3371 177.4642 162 A 4.3664 8.5205 126.0632 50.9421 19.8226 176.9567 163 V 2.4763 7.6236 118.8316 60.0719 32.1916 174.7920 164 P 4.2765 0.0000 0.0000 63.0854 31.7774 175.5699 165 T 4.4030 7.5942 109.5393 60.5774 71.5455 172.6923 166 Y 4.1564 8.2518 118.5290 57.5263 38.4406 176.0012 167 A 4.0854 8.5583 126.1095 51.9569 19.2352 177.5323 168 A 4.1874 8.5327 122.8077 52.5772 18.4094 177.6585 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 12 K 8.31 4.34 0.00 1.79 1.67 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 13 L 8.19 4.01 0.00 1.71 1.63 0.92 0.68 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 14 L 8.47 4.36 0.00 1.68 1.70 0.97 0.78 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 15 T 8.14 4.62 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 1.22 0.00 0.00 16 V 8.11 4.19 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 0.96 0.00 0.00 1.10 0.00 0.00 17 D 8.61 4.53 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.14 2.71 3.59 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 0.55 0.00 0.00 19 T 8.42 4.39 4.27 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 1.22 0.00 0.00 20 A 7.89 4.27 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 21 H 7.81 4.99 0.00 3.33 3.38 0.00 5.90 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.79 0.00 2.28 2.15 0.00 3.88 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 2.04 2.05 0.00 23 F 8.83 4.45 0.00 2.83 3.19 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 24 L 8.89 4.37 0.00 1.87 1.75 0.77 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 25 K 9.70 4.77 0.00 1.68 1.81 0.00 1.92 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.66 1.59 7.81 26 A 9.10 4.50 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 27 L 8.36 2.44 0.00 1.09 1.15 -0.55 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.83 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 29 G 8.08 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 30 H 8.10 4.49 0.00 3.23 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.47 4.14 0.00 1.92 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 2.32 2.41 0.00 32 G 9.21 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 33 T 7.75 4.58 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 1.07 0.00 0.00 34 D 8.53 5.59 0.00 2.55 2.67 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 35 I 8.77 5.26 1.82 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 1.05 1.33 0.81 0.00 0.00 36 F 8.80 4.60 0.00 1.51 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 0.00 0.00 0.00 37 P 0.00 4.40 0.00 1.58 1.62 0.00 3.20 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.46 0.00 38 L 8.41 4.61 0.00 1.91 1.76 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 39 F 7.96 5.59 0.00 2.97 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 *41 D 8.19 4.34 0.00 2.80 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 42 P 0.00 4.08 0.00 1.12 1.79 0.00 3.42 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 1.75 1.91 0.00 43 Y 7.54 4.12 0.00 3.07 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 44 N 8.53 4.61 0.00 3.09 2.91 0.00 0.00 7.18 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.67 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 46 L 7.92 5.28 0.00 1.63 1.66 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 *48 V 7.81 4.27 2.16 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 1.21 0.00 0.00 0.94 0.00 0.00 *50 R 8.29 4.68 0.00 1.74 2.04 0.00 3.20 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.63 0.00 51 A 9.19 5.17 1.04 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 52 S 8.90 4.97 0.00 3.46 3.38 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 53 F 9.38 5.53 0.00 3.04 2.97 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 0.00 0.00 0.00 54 A 8.60 4.93 1.29 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 0.00 0.00 55 P 0.00 4.28 0.00 1.99 2.03 0.00 3.78 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 2.06 2.34 0.00 56 G 8.43 3.90 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 0.00 0.00 0.00 57 L 8.25 4.54 0.00 1.66 1.66 1.15 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.15 4.90 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 59 L 8.63 4.40 0.00 1.53 1.51 0.96 0.60 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 60 P 0.00 4.52 0.00 1.82 1.92 0.00 3.53 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 1.92 2.05 0.00 61 L 8.12 4.20 0.00 1.93 1.68 0.99 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 62 H 9.14 5.35 0.00 2.93 3.03 0.00 5.60 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 9.40 4.89 0.00 3.27 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 64 H 8.11 5.07 0.00 2.84 3.18 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.79 4.12 4.33 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 0.00 0.00 0.00 1.46 0.00 0.00 66 G 7.60 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 0.00 0.00 0.00 0.00 67 T 8.38 4.45 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 1.27 0.00 0.00 68 V 8.17 4.59 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 0.95 0.00 0.00 0.56 0.00 0.00 69 H 8.86 5.32 0.00 3.30 3.49 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *71 Y 8.12 5.07 0.00 3.34 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 72 T 8.38 4.71 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 1.37 0.00 0.00 73 I 8.91 4.02 2.10 0.00 0.00 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 1.58 0.73 1.02 0.00 0.00 74 S 8.20 4.40 0.00 3.89 3.97 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 0.00 0.00 0.00 75 G 10.27 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 76 C 8.76 5.10 0.00 2.90 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 77 W 8.61 5.42 0.00 2.55 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 78 Y 8.10 4.59 0.00 2.89 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 79 Y 8.47 5.24 0.00 3.14 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 80 T 8.82 4.01 4.32 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 1.30 0.00 0.00 81 E 8.25 4.19 0.00 1.89 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 0.00 2.11 2.06 0.00 82 Y 8.14 4.85 0.00 3.09 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 83 P 0.00 4.19 0.00 1.98 2.07 0.00 3.73 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 1.92 1.92 0.00 84 G 7.97 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 85 Q 7.60 4.58 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 86 K 7.57 4.06 0.00 1.48 1.57 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.57 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.24 1.43 7.81 87 Q 8.75 4.22 0.00 0.93 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.50 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 88 T 8.13 5.26 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 1.12 0.00 0.00 89 A 8.57 4.11 1.27 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 0.00 0.00 90 G 8.63 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 0.00 0.00 0.00 0.00 91 C 7.59 4.55 0.00 2.87 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 92 Y 8.65 5.28 0.00 3.19 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 93 L 7.80 4.52 0.00 1.66 1.41 0.81 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.40 4.66 0.00 3.05 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 95 E 8.31 4.53 0.00 1.65 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 2.18 2.19 0.00 96 P 0.00 4.48 0.00 2.11 2.30 0.00 3.58 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 2.02 2.02 0.00 97 G 8.33 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 98 G 9.15 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.10 4.60 0.00 3.79 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 0.00 100 I 8.00 4.82 2.05 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 1.33 1.08 0.89 0.00 0.00 101 H 8.80 4.86 0.00 2.50 1.76 0.00 5.81 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 8.38 4.65 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.11 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 103 F 8.95 4.75 0.00 3.03 2.67 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 0.00 104 N 7.87 5.40 0.00 1.44 2.14 0.00 0.00 6.38 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 0.00 105 T 8.32 4.81 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 1.29 0.00 0.00 106 P 0.00 4.58 0.00 2.29 2.16 0.00 3.94 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 107 R 8.85 4.01 0.00 1.80 1.99 0.00 3.23 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 108 D 7.98 4.61 0.00 2.71 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 0.00 109 N 7.86 4.28 0.00 2.80 2.83 0.00 0.00 6.81 6.94 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 0.00 110 E 8.96 4.26 0.00 1.98 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 1.89 0.00 111 G 7.01 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 8.85 4.72 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.28 0.00 113 T 9.01 5.02 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 114 E 9.26 5.21 0.00 1.96 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 2.26 2.42 0.00 115 V 9.24 5.24 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 0.96 0.00 0.00 1.25 0.00 0.00 116 I 8.74 4.99 1.99 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 1.31 0.84 1.14 0.00 0.00 117 F 7.85 5.19 0.00 3.40 3.05 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 *119 L 8.46 4.27 0.00 1.99 1.83 0.83 0.93 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 0.00 120 S 8.84 4.86 0.00 4.02 3.80 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 G 9.30 3.88 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 0.00 0.00 0.00 122 C 9.26 4.95 0.00 2.92 2.76 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 0.00 0.00 0.00 0.00 123 N 8.68 5.52 0.00 2.72 2.66 0.00 0.00 6.76 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.79 4.67 2.43 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 1.02 0.00 0.00 1.12 0.00 0.00 125 N 8.70 5.48 0.00 2.44 2.54 0.00 0.00 6.43 7.68 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 0.00 126 F 9.01 5.38 0.00 2.95 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 0.00 127 T 8.64 4.37 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 1.21 0.00 0.00 128 Q 8.63 4.03 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.13 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 129 D 8.07 4.51 0.00 2.80 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 0.00 130 G 8.45 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 0.00 131 T 7.97 4.37 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 1.26 0.00 0.00 132 Y 8.79 4.15 0.00 2.94 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 0.00 133 L 9.63 3.95 0.00 1.37 1.48 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 134 G 5.55 3.60 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 0.00 0.00 0.00 135 L 7.67 5.07 0.00 1.56 1.60 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 136 S 9.21 4.60 0.00 3.61 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 0.00 137 D 8.19 5.12 0.00 2.77 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 0.00 138 A 8.71 4.10 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 0.00 139 G 7.97 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 0.00 0.00 0.00 140 V 8.33 3.62 2.19 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 1.03 0.00 0.00 0.97 0.00 0.00 141 I 7.68 3.76 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.65 0.89 0.00 0.00 142 K 8.22 3.87 0.00 1.93 1.96 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.15 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.66 1.59 7.81 143 N 8.28 4.33 0.00 3.01 2.88 0.00 0.00 6.69 7.06 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 0.00 144 W 8.17 3.96 0.00 3.45 3.37 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 0.00 145 V 8.42 3.35 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 0.67 0.00 0.00 1.11 0.00 0.00 146 D 8.36 4.33 0.00 2.68 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 0.00 147 R 7.64 3.72 0.00 1.84 1.81 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.52 0.00 148 A 7.62 3.48 0.01 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 0.00 149 I 7.70 3.49 1.92 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 1.27 0.67 0.90 0.00 0.00 150 R 7.50 3.78 0.00 1.89 1.99 0.00 3.03 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 151 E 8.06 3.89 0.00 1.90 1.92 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 2.28 2.26 0.00 152 Q 8.40 4.13 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.64 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 153 D 7.38 4.23 0.00 2.73 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 0.00 154 N 8.32 4.83 0.00 2.62 2.55 0.00 0.00 6.90 8.70 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 0.00 155 G 8.44 3.98 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 0.00 156 L 7.88 4.04 0.00 1.75 1.59 -0.33 0.72 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 0.00 157 R 8.22 4.71 0.00 1.78 1.76 0.00 3.32 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 158 Y 7.69 5.06 0.00 3.14 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 0.00 159 I 9.06 4.39 2.08 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 1.45 1.76 1.02 0.00 0.00 160 A 8.23 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 A 8.30 4.53 1.28 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 0.00 0.00 162 A 8.52 4.37 1.22 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 0.00 0.00 0.00 163 V 7.62 2.48 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 0.57 0.00 0.00 0.38 0.00 0.00 164 P 0.00 4.28 0.00 1.91 1.92 0.00 3.27 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 165 T 7.59 4.40 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 1.17 0.00 0.00 166 Y 8.25 4.16 0.00 3.01 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 0.00 167 A 8.56 4.09 1.28 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 0.00 0.00 168 A 8.53 4.19 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 * Residues marked with a * may have inaccurate shift predictions.