NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3112 8.4444 120.2297 55.8919 29.8962 173.6090 4 K 3.9620 8.1132 123.1362 55.6557 33.2605 174.6308 5 T 4.3640 8.7102 120.2298 61.5818 70.4334 172.3412 6 C 4.9304 8.6058 117.8082 57.7661 39.3882 172.9598 7 D 5.1183 9.1089 122.8742 52.7117 42.8611 176.0134 8 L 5.1071 8.3457 122.7061 52.1406 44.1153 176.8228 9 V 3.6565 8.2027 113.8203 62.6853 32.0322 176.2400 10 G 3.9750 8.6674 108.8979 44.4473 0.0000 173.3005 11 E 4.1927 8.5284 118.2448 55.1769 30.1691 177.0096 12 K 4.2177 7.9066 120.3616 58.1224 32.6367 177.4138 13 G 4.0119 9.0910 111.2735 45.5632 0.0000 173.6662 14 K 4.5867 8.0888 117.8383 55.9896 33.1096 176.2536 15 E 4.3271 8.0064 119.1878 55.1650 30.6736 175.9816 16 S 4.1983 8.4723 114.0468 58.9956 63.7065 174.6495 17 E 4.0033 8.8280 128.7965 58.9393 29.4217 179.1170 18 K 3.9756 7.9733 118.3857 59.5329 32.2750 178.9350 19 E 4.0384 8.1185 118.5515 59.4485 29.3933 179.3741 20 L 4.0511 8.1732 118.8389 57.8371 41.6851 179.5098 21 A 4.0378 8.1858 120.6876 55.0885 18.2720 179.7435 22 L 3.9969 7.8597 117.3632 57.8424 41.4670 179.6287 23 L 4.1690 7.8987 118.1861 57.7366 41.8753 179.4087 24 K 4.1571 8.0580 119.8445 58.9324 31.7796 179.3472 25 R 3.8912 7.7914 117.8579 58.9934 30.2047 177.5898 26 L 4.3788 7.8150 116.6076 54.9794 41.3914 178.2919 27 T 2.0000 7.2741 118.2940 65.7174 68.1651 173.9991 28 P 4.3129 0.0000 0.0000 64.6556 31.6432 177.2811 29 L 4.4968 7.9990 118.6856 55.4277 41.8652 178.1818 30 F 4.6523 8.1575 119.6121 59.9213 39.0493 176.7711 31 Q 4.0431 8.0635 113.5260 57.9395 28.7721 176.2984 32 K 4.1080 7.4447 118.4920 55.6387 33.1046 175.6944 33 S 4.2751 7.4024 113.4730 56.5000 65.4861 172.8397 34 F 5.0630 8.6835 124.6082 55.6413 42.1587 173.7814 35 E 5.5638 8.9927 123.0539 54.2273 32.6278 175.2497 36 S 5.0156 9.4612 121.2904 58.7987 64.0158 173.4084 37 T 4.8569 9.6140 110.9609 59.4707 71.9891 175.6691 38 V 4.1637 7.8645 120.5409 63.9259 34.7228 170.5809 *43 D 4.4607 8.3762 118.4081 54.2881 41.9154 174.9674 44 M 4.2620 8.1946 117.4826 56.0038 32.4572 174.8467 45 Y 5.4176 7.7561 116.0641 56.4225 42.0941 174.4888 46 S 4.9964 8.8543 115.0862 56.8458 66.4484 172.2801 47 Y 5.3786 9.2802 121.3383 56.2584 42.0676 174.5911 48 V 5.0186 8.9545 122.6453 61.1245 34.7796 173.9478 49 F 5.4758 9.4087 129.6818 56.5870 42.4619 173.7685 50 R 4.4037 8.3576 122.8961 54.2975 34.5156 175.1239 51 V 3.8647 7.9907 121.6229 62.4982 31.5572 176.4132 52 C 3.5556 8.7647 124.8462 57.2126 38.0765 173.1418 53 R 3.8531 6.6150 116.4885 53.7547 32.7837 173.9410 54 E 4.2377 8.5831 122.7525 56.8226 29.6962 176.4672 55 A 4.3575 8.9814 129.2856 52.1630 20.0473 176.5031 56 G 4.0689 8.1073 104.7758 44.3921 0.0000 173.6992 57 Q 4.5870 9.3286 115.9523 55.9306 29.0271 176.0794 58 H 4.8483 7.8637 112.6916 55.0334 29.8099 173.4221 59 S 3.8568 8.1854 112.6641 59.8330 60.2175 173.3373 60 S 4.3000 8.2416 114.1571 58.6344 62.8044 175.0944 61 G 3.5257 8.9252 109.4820 45.9029 0.0000 173.3498 62 A 4.2365 8.0219 122.2897 51.7787 19.2970 179.1692 63 G 3.6073 9.0174 108.5271 46.8514 0.0000 173.4455 64 L 5.3463 7.6713 121.9925 54.0991 45.7355 174.6643 65 V 4.9483 9.0341 118.9211 59.5517 36.1387 174.0736 66 Q 4.6948 9.0722 124.2945 54.3265 31.5335 174.1254 67 I 4.9684 8.5654 127.6969 59.4249 39.9994 174.5887 68 Q 4.5894 9.1087 129.9329 55.7537 29.2973 176.7185 69 K 4.0803 8.7518 127.4891 59.6537 32.0904 178.9768 70 S 4.2365 8.2339 113.8728 60.4843 63.1350 174.3986 71 N 4.8288 7.8213 114.9103 51.4380 37.9509 175.2722 72 G 3.8832 8.4092 105.8680 45.9187 0.0000 173.9140 73 K 3.9648 7.5480 122.1187 56.5826 33.1916 175.0834 74 E 4.9308 8.8300 128.7058 55.0606 31.1342 174.6741 75 T 4.6598 8.8753 124.7787 61.6832 71.2883 174.0870 76 V 4.0070 8.9304 127.3065 62.7704 31.5569 176.7018 77 V 3.6114 8.9091 129.3660 65.4569 32.8421 175.9093 78 G 4.3295 7.8122 104.4239 45.2958 0.0000 172.3427 79 R 5.0807 8.9835 121.6433 53.0272 32.7692 177.2440 80 F 4.1236 8.0110 116.8997 57.8795 38.2251 176.0604 81 N 4.8101 7.2769 117.3195 53.2668 38.1008 175.0705 82 E 4.7898 8.0542 118.2098 55.1213 29.3595 174.1613 83 T 5.3275 8.8926 118.6294 62.0002 71.8388 174.5065 84 Q 4.9283 9.0330 125.5109 54.5650 32.8303 173.7808 85 I 5.2651 9.2266 125.6946 59.8382 41.5041 173.6352 86 F 5.2423 8.8779 123.3536 55.6456 41.8015 172.8746 87 Q 4.1966 8.6292 116.3397 54.4646 31.7835 174.7870 88 G 3.2241 6.2746 108.7224 43.6087 0.0000 171.7806 89 S 4.0439 8.3608 113.2820 61.6339 63.3914 175.7947 90 N 5.3437 7.9949 116.2673 50.8565 39.3418 173.2490 91 W 5.4959 7.3650 113.1230 55.8190 32.0090 173.4754 92 I 4.8373 9.0444 121.2176 59.8706 41.1252 173.8225 93 M 4.8977 9.0102 127.0379 53.6015 34.4400 174.0323 94 L 5.1935 8.7738 128.2435 53.2726 45.3375 174.9435 95 I 5.0781 8.8619 126.1584 59.7307 41.2500 173.7758 96 Y 5.4644 9.1045 124.6379 56.6898 40.4770 175.7081 97 K 4.3689 9.1081 125.6902 55.1327 35.5493 177.3687 98 G 4.0551 8.8343 108.0970 46.9067 0.0000 174.2578 99 G 4.0509 7.8941 107.7951 44.3023 0.0000 173.8495 100 D 4.6471 8.8021 119.8371 54.2150 41.7809 176.6982 101 E 4.6682 8.6215 121.7028 56.5880 30.3624 176.5230 102 Y 4.3664 8.7712 120.7364 58.4109 38.8043 176.3583 103 D 4.7086 9.0115 120.7739 55.4614 42.0987 177.3443 104 N 4.9526 8.2093 112.2119 52.4770 40.9799 173.6017 105 H 4.6900 8.0878 114.6975 54.2051 31.5655 174.2293 106 C 4.8812 8.6338 113.8580 57.3532 37.5906 174.3715 107 G 3.9105 8.9104 101.9537 46.2944 0.0000 174.1856 108 R 4.4177 8.4856 114.7518 55.9541 28.3190 176.5238 109 E 4.4522 8.1578 115.7896 55.9212 31.3662 175.9360 110 Q 4.4990 8.5938 118.9042 55.8123 30.1781 176.5042 111 R 4.3329 8.5405 121.5854 56.6684 31.7572 175.4926 112 R 5.2851 8.7599 118.9652 55.0817 34.0839 173.0964 113 A 5.5312 9.4690 127.1792 50.2351 22.1025 175.2608 114 V 4.6774 9.3636 122.8498 61.0263 34.4306 174.3659 115 V 4.7792 8.9848 128.4289 61.3286 34.2435 173.8275 116 M 4.5498 9.0412 129.3922 54.4237 33.5195 174.7532 117 I 4.6954 8.8150 129.0932 60.2260 38.8905 175.3604 118 S 5.0731 8.8906 124.1322 56.7481 65.3007 173.2006 119 C 4.8283 8.5452 123.6054 57.1377 43.7785 173.0824 120 N 4.7743 8.4903 124.1409 53.0472 40.4662 175.0784 121 R 4.0964 8.9096 126.4436 58.7955 30.4179 177.5811 122 H 4.5677 8.7671 114.1425 56.9626 29.4652 174.9641 123 T 4.7045 7.5373 113.0690 60.3096 70.4466 174.3582 124 L 4.1801 9.1655 128.8301 57.0695 43.0301 176.9366 125 A 4.6177 7.4256 116.1759 51.6263 22.9948 175.4197 126 D 4.3290 8.7148 121.1994 54.4830 46.1156 175.3333 127 N 4.4716 8.5018 113.6573 54.2017 35.8541 173.8217 128 F 4.8506 8.4587 120.0039 58.5918 40.3340 173.9540 129 N 4.3889 7.9454 120.5783 51.4720 43.4664 172.3570 130 P 4.2885 0.0000 0.0000 63.2085 31.9969 175.7128 131 V 4.0870 7.9872 121.4784 63.5236 32.7331 175.5992 132 S 4.4256 6.7315 112.1029 57.8544 65.6741 173.9851 133 E 4.3966 8.5050 120.9262 54.1280 31.7685 174.5300 134 E 4.1573 8.4901 129.2381 54.2721 30.5043 175.5836 135 R 4.0783 8.1510 122.2953 55.6698 30.2047 175.8815 136 G 3.9440 8.5013 105.2736 45.5850 0.0000 174.0199 137 K 4.6354 7.3680 118.7317 54.0618 34.7085 177.7821 138 V 3.7249 8.2358 113.8908 64.0212 31.7269 176.0263 139 Q 4.5950 7.9416 115.1060 55.9381 30.8423 172.5981 140 D 4.4443 8.8432 114.9077 55.7644 38.0316 174.6409 141 C 4.9396 8.9025 116.1230 56.4899 39.2573 173.7795 142 F 5.1004 8.0068 112.8789 57.0444 41.2194 172.2500 143 Y 4.6212 9.0172 118.4965 56.3938 40.0558 174.3955 144 L 5.2317 8.4312 126.4658 53.4534 44.6312 175.1210 145 F 5.1779 9.4641 123.5021 55.8991 43.9766 173.3731 146 E 5.2380 8.7824 118.3654 55.5047 34.0099 174.4299 147 M 5.1991 8.5562 119.5674 55.8075 36.5391 172.9544 148 D 5.5075 8.8667 122.8333 53.0805 44.3515 175.5215 149 S 5.0536 8.6188 112.9344 57.6692 65.7445 176.6132 150 S 4.3974 8.9345 121.6469 60.5482 63.0989 176.1093 151 L 4.0308 7.6826 120.0105 56.7732 41.5307 177.5558 152 A 4.3113 7.8593 120.8713 52.7962 19.1682 176.6393 153 C 4.7479 7.7407 113.8919 56.2130 40.9933 174.0162 154 S 4.4255 8.3791 116.6585 59.3796 63.1824 176.9294 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 3 E 8.44 4.31 0.00 2.00 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 2.23 2.27 0.00 4 K 8.11 3.96 0.00 1.83 1.75 0.00 1.85 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.58 7.81 5 T 8.71 4.36 4.20 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 1.26 0.00 0.00 6 C 8.61 4.93 0.00 2.97 3.15 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 7 D 9.11 5.12 0.00 2.72 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 8 L 8.35 5.11 0.00 1.57 1.81 0.98 1.21 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 9 V 8.20 3.66 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 0.72 0.00 0.00 0.96 0.00 0.00 10 G 8.67 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 11 E 8.53 4.19 0.00 2.02 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 2.41 2.25 0.00 12 K 7.91 4.22 0.00 1.87 1.86 0.00 1.22 0.00 0.00 0.61 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.43 7.81 13 G 9.09 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 14 K 8.09 4.59 0.00 1.83 1.77 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.37 7.81 15 E 8.01 4.33 0.00 2.11 1.91 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 2.43 2.38 0.00 16 S 8.47 4.20 0.00 3.90 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 17 E 8.83 4.00 0.00 2.13 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 2.38 2.46 0.00 18 K 7.97 3.98 0.00 1.86 1.86 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.54 7.81 19 E 8.12 4.04 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.41 0.00 20 L 8.17 4.05 0.00 1.86 1.75 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.19 4.04 1.39 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 0.00 0.00 22 L 7.86 4.00 0.00 1.87 1.75 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.90 4.17 0.00 1.90 1.93 1.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.06 4.16 0.00 2.02 1.83 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.46 7.81 25 R 7.79 3.89 0.00 1.79 2.11 0.00 3.22 0.00 0.00 3.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 26 L 7.82 4.38 0.00 1.90 1.78 1.01 0.76 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 27 T 7.27 2.00 3.94 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 0.80 0.00 0.00 28 P 0.00 4.31 0.00 2.17 2.10 0.00 3.61 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 29 L 8.00 4.50 0.00 1.94 1.98 0.98 1.08 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 30 F 8.16 4.65 0.00 2.94 2.98 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 31 Q 8.06 4.04 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.02 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 32 K 7.44 4.11 0.00 1.59 1.05 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.31 7.81 33 S 7.40 4.28 0.00 3.59 3.44 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 34 F 8.68 5.06 0.00 2.78 2.78 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 35 E 8.99 5.56 0.00 2.02 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 2.33 2.54 0.00 36 S 9.46 5.02 0.00 4.21 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 37 T 9.61 4.86 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 1.31 0.00 0.00 38 V 7.86 4.16 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 0.78 0.00 0.00 1.05 0.00 0.00 *43 D 8.38 4.46 0.00 2.82 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 44 M 8.19 4.26 0.00 1.84 1.87 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.11 0.00 45 Y 7.76 5.42 0.00 2.76 2.45 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 46 S 8.85 5.00 0.00 3.91 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 47 Y 9.28 5.38 0.00 3.32 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 48 V 8.95 5.02 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 1.04 0.00 0.00 1.00 0.00 0.00 49 F 9.41 5.48 0.00 2.42 1.66 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 50 R 8.36 4.40 0.00 1.58 1.45 0.00 3.05 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.37 0.00 51 V 7.99 3.86 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 1.22 0.00 0.00 0.87 0.00 0.00 52 C 8.76 3.56 0.00 1.61 2.49 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 53 R 6.62 3.85 0.00 1.26 1.41 0.00 3.15 0.00 0.00 3.02 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.43 0.00 54 E 8.58 4.24 0.00 2.05 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 2.30 2.55 0.00 55 A 8.98 4.36 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 56 G 8.11 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 0.00 0.00 0.00 57 Q 9.33 4.59 0.00 1.80 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.25 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 58 H 7.86 4.85 0.00 3.09 3.23 0.00 5.85 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.19 3.86 0.00 3.97 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 60 S 8.24 4.30 0.00 3.83 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 61 G 8.93 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 62 A 8.02 4.24 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 63 G 9.02 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 64 L 7.67 5.35 0.00 2.03 1.60 0.14 0.91 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 65 V 9.03 4.95 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 0.74 0.00 0.00 0.96 0.00 0.00 66 Q 9.07 4.69 0.00 1.90 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 1.85 1.36 0.00 67 I 8.57 4.97 1.87 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 1.12 0.54 0.93 0.00 0.00 68 Q 9.11 4.59 0.00 2.37 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.16 0.00 69 K 8.75 4.08 0.00 1.65 1.84 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.51 7.81 70 S 8.23 4.24 0.00 3.95 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 71 N 7.82 4.83 0.00 2.88 3.01 0.00 0.00 6.19 7.54 0.00 0.00 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 G 8.41 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 73 K 7.55 3.96 0.00 1.98 1.76 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.40 7.81 74 E 8.83 4.93 0.00 2.05 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 2.22 2.32 0.00 75 T 8.88 4.66 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 1.12 0.00 0.00 76 V 8.93 4.01 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.89 0.00 0.00 77 V 8.91 3.61 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.69 0.00 0.00 78 G 7.81 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 0.00 0.00 0.00 0.00 79 R 8.98 5.08 0.00 1.60 1.55 0.00 3.15 0.00 0.00 3.14 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.38 0.00 80 F 8.01 4.12 0.00 3.03 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.28 4.81 0.00 2.82 2.59 0.00 0.00 6.16 7.66 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 82 E 8.05 4.79 0.00 2.11 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 2.23 2.24 0.00 83 T 8.89 5.33 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 1.38 0.00 0.00 84 Q 9.03 4.93 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 85 I 9.23 5.27 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.01 1.00 0.00 0.00 86 F 8.88 5.24 0.00 3.09 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 87 Q 8.63 4.20 0.00 1.72 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 88 G 6.27 3.22 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 0.00 89 S 8.36 4.04 0.00 3.95 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 90 N 7.99 5.34 0.00 2.70 2.82 0.00 0.00 7.15 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 91 W 7.36 5.50 0.00 3.38 3.11 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 92 I 9.04 4.84 1.87 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 0.98 0.69 0.92 0.00 0.00 93 M 9.01 4.90 0.00 0.82 1.67 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 94 L 8.77 5.19 0.00 1.70 1.32 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.86 5.08 1.96 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 1.25 0.81 1.02 0.00 0.00 96 Y 9.10 5.46 0.00 2.96 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 97 K 9.11 4.37 0.00 1.86 1.83 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.48 7.81 98 G 8.83 4.06 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 0.00 0.00 0.00 99 G 7.89 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 0.00 100 D 8.80 4.65 0.00 2.50 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 0.00 101 E 8.62 4.67 0.00 1.87 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 2.35 2.35 0.00 102 Y 8.77 4.37 0.00 3.05 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 0.00 103 D 9.01 4.71 0.00 2.75 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 0.00 104 N 8.21 4.95 0.00 2.67 2.74 0.00 0.00 6.79 8.16 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 0.00 105 H 8.09 4.69 0.00 2.52 2.94 0.00 5.96 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 0.00 106 C 8.63 4.88 0.00 2.96 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 0.00 107 G 8.91 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 0.00 108 R 8.49 4.42 0.00 2.02 2.16 0.00 3.16 0.00 0.00 3.17 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.55 0.00 109 E 8.16 4.45 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.55 0.00 110 Q 8.59 4.50 0.00 2.09 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.01 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 111 R 8.54 4.33 0.00 1.76 1.98 0.00 3.04 0.00 0.00 2.91 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.22 0.00 112 R 8.76 5.29 0.00 2.00 1.95 0.00 3.19 0.00 0.00 3.44 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.93 0.00 113 A 9.47 5.53 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 0.00 114 V 9.36 4.68 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 0.78 0.00 0.00 0.85 0.00 0.00 115 V 8.98 4.78 1.79 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 0.68 0.00 0.00 0.36 0.00 0.00 116 M 9.04 4.55 0.00 2.10 1.83 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 117 I 8.81 4.70 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.50 0.92 0.00 0.00 118 S 8.89 5.07 0.00 3.94 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 0.00 119 C 8.55 4.83 0.00 3.16 3.11 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 0.00 120 N 8.49 4.77 0.00 2.80 2.66 0.00 0.00 7.21 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 0.00 121 R 8.91 4.10 0.00 1.75 1.94 0.00 3.41 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 122 H 8.77 4.57 0.00 3.22 3.39 0.00 5.82 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.54 4.70 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 1.26 0.00 0.00 124 L 9.17 4.18 0.00 1.71 1.73 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.43 4.62 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 0.00 126 D 8.71 4.33 0.00 2.89 2.57 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 0.00 127 N 8.50 4.47 0.00 3.00 2.92 0.00 0.00 6.48 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 0.00 128 F 8.46 4.85 0.00 3.02 3.15 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 0.00 129 N 7.95 4.39 0.00 2.53 2.49 0.00 0.00 6.48 7.74 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 0.00 130 P 0.00 4.29 0.00 1.65 1.39 0.00 3.65 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.02 0.00 131 V 7.99 4.09 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 0.70 0.00 0.00 0.81 0.00 0.00 132 S 6.73 4.43 0.00 3.69 3.76 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 0.00 133 E 8.50 4.40 0.00 1.51 1.52 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 0.00 1.56 1.47 0.00 134 E 8.49 4.16 0.00 1.41 1.12 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 1.99 2.02 0.00 135 R 8.15 4.08 0.00 1.35 1.71 0.00 2.58 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.38 0.00 136 G 8.50 3.94 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 0.00 0.00 0.00 137 K 7.37 4.64 0.00 1.86 1.74 0.00 1.83 0.00 0.00 1.84 0.00 0.00 3.18 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.51 7.81 138 V 8.24 3.72 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 0.70 0.00 0.00 0.93 0.00 0.00 139 Q 7.94 4.60 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.91 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 140 D 8.84 4.44 0.00 2.91 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 0.00 141 C 8.90 4.94 0.00 3.08 3.22 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 0.00 142 F 8.01 5.10 0.00 3.19 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 0.00 143 Y 9.02 4.62 0.00 3.14 2.61 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 0.00 144 L 8.43 5.23 0.00 1.92 1.47 1.03 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 145 F 9.46 5.18 0.00 2.84 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 0.00 146 E 8.78 5.24 0.00 1.81 1.73 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 2.16 2.16 0.00 147 M 8.56 5.20 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.26 0.00 148 D 8.87 5.51 0.00 2.60 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.62 5.05 0.00 3.82 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.93 4.40 0.00 4.06 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 0.00 151 L 7.68 4.03 0.00 1.70 1.76 0.92 0.53 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 0.00 152 A 7.86 4.31 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 0.00 153 C 7.74 4.75 0.00 3.10 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 0.00 154 S 8.38 4.43 0.00 3.94 3.75 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 * Residues marked with a * may have inaccurate shift predictions.