NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2206 8.3449 121.7115 55.6097 30.1221 174.6672 4 L 4.1306 8.1813 123.0889 54.0960 42.5827 175.1384 5 T 4.4650 8.9092 116.5220 62.0367 71.4462 173.3491 6 L 4.7270 8.4438 126.9806 53.1222 43.3277 175.8902 7 D 5.1268 8.3851 122.1009 50.9729 42.4754 176.3497 8 K 3.8479 8.8395 117.5354 60.4692 31.5559 179.3636 9 T 3.9159 8.3272 109.4942 64.4846 68.6785 176.2199 10 D 4.4584 8.1683 121.6079 56.9063 41.1259 178.4956 11 I 3.6591 7.9900 120.5904 64.2648 37.1264 178.0647 12 K 3.7988 8.1481 120.5386 59.7850 31.8293 178.3344 13 I 3.6949 7.3653 118.4497 64.6838 37.1039 178.3918 14 L 3.9857 7.6950 118.8846 57.7548 41.2434 179.4054 15 Q 3.9595 8.4069 117.1591 59.0496 28.9581 178.9230 16 V 3.7542 8.3953 119.2867 66.1849 31.5827 178.1165 17 L 4.2282 8.2078 118.8190 57.8676 41.2868 179.3448 18 Q 4.1766 8.5465 117.2106 58.0747 28.6129 177.2027 19 E 4.5101 7.6926 116.7324 56.9321 31.7164 176.2311 20 N 4.9974 8.1467 116.2023 51.4514 38.1676 175.3624 21 G 4.0050 8.1283 105.5137 46.8916 0.0000 171.7896 22 R 4.4694 7.6317 118.0021 55.5057 30.9334 175.3981 23 L 4.1096 7.4789 116.7821 55.1874 42.1521 177.9346 24 T 4.2179 7.8810 111.9112 61.3404 70.8397 174.8740 25 N 4.3405 8.5090 117.5709 56.5250 38.9991 177.0201 26 V 3.5759 7.6679 119.2780 65.9918 31.7748 177.3769 27 E 3.9215 8.6015 118.5194 59.6751 28.9667 179.1740 28 L 3.9923 7.7094 120.1844 58.3793 42.0076 179.2152 29 S 4.2030 8.2665 114.1169 61.0821 62.5044 176.2066 30 E 4.1453 7.9643 121.7515 58.8927 29.2019 179.1182 31 R 3.9991 8.0306 117.1697 58.4039 30.2405 177.7219 32 V 4.0607 7.3452 107.6593 60.0953 32.8782 174.9734 33 A 3.6581 7.5453 120.7835 53.2982 15.7210 176.7033 34 L 4.8798 8.2487 120.4154 51.7087 46.3882 177.9499 35 S 4.2371 8.4446 114.6556 57.6009 63.9424 172.9657 36 P 4.1863 0.0000 0.0000 66.0118 31.2676 178.4196 37 S 4.0480 8.0493 111.2408 61.0600 62.3881 174.3993 38 P 4.2973 0.0000 0.0000 65.7998 31.1928 177.2368 39 C 3.8669 8.2787 118.5601 62.4893 31.2614 175.0108 40 L 3.9961 8.4113 122.9859 57.6679 41.6312 178.8507 41 R 3.8626 7.8028 117.7015 59.7682 29.8511 177.8621 42 R 3.8658 8.3290 118.3646 59.6848 29.9730 177.8735 43 L 3.8284 8.1554 119.8087 58.2799 41.8975 179.0439 44 K 3.9610 8.4082 119.6628 59.3922 32.0859 178.5853 45 Q 4.0159 8.6956 120.2601 59.2824 28.8096 178.2821 46 L 4.0081 8.7218 120.8673 57.7149 41.5233 179.5220 47 E 4.0037 8.3976 118.7595 59.5486 29.3491 179.0349 48 D 4.3960 8.9488 118.1852 56.5696 40.9159 177.7128 49 A 4.3724 8.0316 119.5169 52.0153 19.0992 178.1160 50 G 3.9309 8.0944 106.0777 45.2058 0.0000 175.2154 51 I 3.6404 7.6037 120.0463 64.2127 37.2216 176.9369 52 V 3.7721 7.1023 124.1445 61.7296 30.3407 175.4103 53 R 4.0334 8.3000 128.6812 58.6901 30.4447 176.4354 54 Q 4.4172 7.1440 113.6139 55.5277 31.5305 171.9673 55 Y 4.6069 8.7595 121.8958 56.2885 39.4486 175.0894 56 A 4.7310 8.3243 126.2418 50.1321 22.5330 174.8202 57 A 4.3693 8.4580 123.0462 51.2846 19.7310 177.1504 58 L 4.6170 8.3778 121.9196 52.9692 43.4755 176.4180 59 L 4.4237 8.2172 123.4463 53.2438 43.8021 176.3635 60 S 4.4573 8.1707 115.1731 56.3583 62.2721 172.7341 61 P 4.0209 0.0000 0.0000 65.7822 31.5765 178.1117 62 E 3.8875 8.5293 118.1974 59.4371 29.4092 178.8425 63 S 4.1653 7.7952 111.2603 60.6968 62.7171 174.8339 64 V 4.2694 7.8565 114.0959 61.1908 31.9233 175.9714 65 N 4.1210 8.1653 115.2789 54.4129 38.4352 173.8016 66 L 4.7533 7.5248 117.6908 54.4877 39.9450 176.5018 67 G 3.8424 8.3199 107.2353 47.0270 0.0000 170.6749 68 L 4.7565 8.2695 123.4343 53.4457 44.0458 174.7222 69 Q 4.6175 8.7217 128.0181 54.6322 30.9891 174.1314 70 A 4.9823 8.8359 127.2559 50.1452 23.1806 175.3739 71 F 4.7327 8.7762 117.2382 55.9224 42.2361 174.2709 72 I 4.4613 8.7990 126.2754 59.9090 38.6556 175.9053 73 R 4.7908 9.2378 128.8201 55.4438 30.2280 175.8495 74 V 4.5298 8.5736 123.9787 61.4400 34.1356 174.2408 75 S 5.0342 9.3520 120.9376 56.4983 64.8829 172.6133 76 I 4.5271 8.3333 127.2701 59.6889 39.0728 175.5204 77 R 4.1026 9.0130 128.1731 56.2069 31.1110 177.0583 78 K 4.2809 8.5536 122.0649 55.1484 31.4957 175.2608 79 A 4.7628 7.9773 132.0572 50.9623 20.8606 174.5395 80 K 4.4031 8.6741 111.4199 58.8441 34.0326 179.3526 81 D 4.5278 8.0188 117.4585 56.4792 40.6779 178.1849 82 A 4.0311 8.1081 121.6380 55.4313 18.4618 179.4199 83 R 4.0078 7.6175 117.3322 59.3309 30.0438 178.5313 84 E 4.0359 7.9541 117.7181 59.1059 29.9803 178.0664 85 D 4.4056 8.5634 119.2466 57.5282 40.9585 178.9338 86 F 3.8607 8.2197 120.3887 61.1305 39.4020 176.6003 87 A 3.4429 7.6391 119.7088 55.3357 17.9297 179.6113 88 A 3.8189 7.9200 117.6299 54.9040 18.6367 179.5573 89 S 3.8294 7.6126 111.9298 61.2591 62.6159 176.3552 90 V 2.2518 6.8080 121.1115 65.6062 30.7671 178.0889 91 R 3.7787 7.2139 116.9475 58.7577 29.9596 178.2824 92 K 4.4775 7.3578 115.5112 55.7801 32.8597 177.0360 93 W 4.8670 7.4588 120.7500 54.6543 28.3275 175.1981 94 P 4.3326 0.0000 0.0000 65.3599 31.1047 178.0075 95 E 3.6671 8.1091 116.6188 58.0552 29.6397 176.1612 96 V 4.2938 7.3288 119.4234 61.5415 31.0467 175.3423 97 L 4.2553 8.5308 128.3306 57.3815 41.9918 177.6267 98 S 4.7429 7.6842 112.6709 57.0007 67.2568 172.5746 99 C 4.7996 7.1941 118.6467 58.6975 34.3851 173.0867 100 F 4.9961 9.0613 124.1551 55.7431 43.1628 173.6008 101 A 4.6092 9.0329 125.7953 51.5148 18.3762 176.6514 102 L 4.7516 8.3377 121.6769 53.9181 44.3226 176.7343 103 T 4.1752 8.3082 110.9904 61.6702 70.0925 175.4553 104 G 3.7877 8.3899 108.2571 44.5511 0.0000 173.5535 105 E 3.8255 8.5850 115.6815 57.9373 30.1044 176.5091 106 T 4.4576 7.0899 117.3807 62.4170 69.7611 174.2760 107 D 4.3878 8.8250 126.7914 57.1379 41.9542 175.7711 108 Y 5.2187 8.1713 114.8493 56.0441 42.5988 173.8403 109 L 5.3089 9.3314 125.1044 53.4304 44.8180 174.9102 110 L 5.2536 9.1463 126.2430 53.0736 44.8915 175.0958 111 Q 4.4934 8.5123 123.9375 54.2199 31.2232 174.1545 112 A 4.9501 8.1029 126.8016 50.1506 23.2392 174.3139 113 F 5.0979 8.4395 117.8134 55.7491 42.1956 174.9235 114 F 4.8521 9.6296 120.1647 56.2137 43.8428 175.6570 115 T 4.1782 9.2294 116.9186 67.4486 68.8974 174.9634 116 D 4.6520 8.3194 120.3783 54.4366 45.5284 176.2433 *118 N 4.5859 9.7039 114.5983 52.9679 41.6543 176.1639 119 A 4.0584 7.8733 118.3141 55.3624 18.2521 179.4585 120 F 3.3184 8.1818 118.7368 61.2554 39.5202 176.8886 121 S 3.9116 8.2091 112.3632 62.1182 61.8857 175.9141 122 H 4.2729 8.5757 120.1339 58.1211 28.3532 177.6437 123 F 4.0453 7.9038 122.2544 61.1519 39.2544 177.1806 124 V 2.9058 7.3185 117.9510 66.0620 31.0553 178.1391 125 L 3.8495 7.5076 117.0025 56.8904 41.7368 178.2124 126 D 4.7200 7.6448 116.8388 54.4061 41.4178 177.3532 127 T 4.1826 7.4861 114.6781 65.0089 71.1928 175.9672 128 L 3.6541 6.6646 120.7309 58.0662 42.1969 178.2714 129 L 4.1327 7.6087 117.2563 57.3982 41.7604 178.9827 130 S 4.2048 7.8569 113.9423 61.2426 63.4137 174.4529 131 H 4.3105 8.0304 120.5625 56.1875 30.1049 175.8788 132 H 4.4266 8.5708 121.6393 58.3533 28.9024 176.7063 133 G 3.7308 8.1158 107.0794 48.2583 0.0000 173.7788 134 V 3.6970 7.2289 119.8849 63.0658 31.2270 175.9149 135 Q 4.1899 9.0244 130.8165 58.7195 29.4202 175.2349 136 D 4.8691 7.7956 116.1388 52.9140 44.9639 173.2241 137 A 5.2501 8.2970 123.2340 50.5635 22.8358 176.0314 138 Q 4.4564 8.5661 120.8522 55.6632 31.9261 173.1743 139 S 5.2984 8.7860 121.4406 56.4409 66.1170 173.0806 140 S 4.4974 8.3709 115.6260 56.4761 66.6857 172.3248 141 F 5.2884 8.2812 116.8369 55.5860 43.0057 175.3169 142 V 4.0086 8.2811 121.4593 62.2405 31.2834 176.1893 143 L 4.2323 8.6436 128.4586 57.2118 41.9365 177.8784 144 K 4.4394 7.6488 117.5653 55.0712 35.3799 175.1068 145 E 4.4207 8.6628 127.5048 54.7043 28.4815 176.1776 146 I 3.6800 8.1864 126.9532 63.7264 37.6576 176.8626 147 K 4.2655 7.2943 114.7653 56.0602 35.3442 174.2222 148 H 4.6289 8.6205 125.2185 55.7913 31.3983 172.3692 149 T 4.6600 8.0562 120.9483 60.2846 70.3785 173.7863 150 T 4.0734 8.3837 116.3288 63.7411 69.4992 175.2397 151 S 4.1937 8.0279 119.6084 58.2584 62.9503 174.1872 152 L 4.2666 8.4791 125.9429 53.6036 42.2603 174.9553 153 P 4.5657 0.0000 0.0000 62.6422 32.2897 176.0656 154 L 4.8033 8.2655 118.3434 54.2378 43.8090 178.0604 155 N 4.3390 8.2532 117.2164 56.3057 38.6409 176.6538 156 H 4.3183 8.2459 112.4382 57.8515 28.6622 176.3705 157 L 4.0516 7.5840 119.6843 56.7737 41.7084 177.6330 158 L 4.1861 7.4886 119.3277 54.1169 39.9593 177.0451 159 K 4.1853 8.1551 121.0126 56.7153 32.0682 175.6507 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 Q 8.34 4.22 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 4 L 8.18 4.13 0.00 1.76 1.61 0.92 0.50 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 5 T 8.91 4.47 4.24 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 1.21 0.00 0.00 6 L 8.44 4.73 0.00 1.61 1.58 0.91 1.05 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 7 D 8.39 5.13 0.00 2.85 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 8 K 8.84 3.85 0.00 1.81 1.92 0.00 1.66 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.52 7.81 9 T 8.33 3.92 4.24 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 1.26 0.00 0.00 10 D 8.17 4.46 0.00 2.81 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 11 I 7.99 3.66 2.00 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 1.66 0.94 0.90 0.00 0.00 12 K 8.15 3.80 0.00 1.91 1.83 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.51 7.81 13 I 7.37 3.69 2.14 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 1.54 0.57 0.94 0.00 0.00 14 L 7.70 3.99 0.00 1.83 1.70 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.41 3.96 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.94 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 16 V 8.40 3.75 2.31 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 1.12 0.00 0.00 0.96 0.00 0.00 17 L 8.21 4.23 0.00 1.86 1.81 1.11 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.55 4.18 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 19 E 7.69 4.51 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.47 0.00 20 N 8.15 5.00 0.00 2.73 2.73 0.00 0.00 6.88 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 21 G 8.13 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.63 4.47 0.00 1.74 1.87 0.00 3.24 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 23 L 7.48 4.11 0.00 1.63 1.59 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.88 4.22 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 1.28 0.00 0.00 25 N 8.51 4.34 0.00 2.84 2.83 0.00 0.00 6.54 7.71 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 26 V 7.67 3.58 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 1.01 0.00 0.00 0.92 0.00 0.00 27 E 8.60 3.92 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 28 L 7.71 3.99 0.00 1.88 1.87 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.27 4.20 0.00 4.28 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 30 E 7.96 4.15 0.00 2.17 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 2.31 2.55 0.00 31 R 8.03 4.00 0.00 1.82 2.00 0.00 3.13 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 1.67 1.74 0.00 32 V 7.35 4.06 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 0.68 0.00 0.00 1.03 0.00 0.00 33 A 7.55 3.66 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 34 L 8.25 4.88 0.00 1.53 1.53 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.44 4.24 0.00 3.89 3.73 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 36 P 0.00 4.19 0.00 2.19 2.12 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 37 S 8.05 4.05 0.00 3.88 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 38 P 0.00 4.30 0.00 2.30 2.29 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.01 0.00 39 C 8.28 3.87 0.00 3.05 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 40 L 8.41 4.00 0.00 1.97 1.92 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.80 3.86 0.00 1.95 2.14 0.00 3.17 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 42 R 8.33 3.87 0.00 2.09 1.97 0.00 3.34 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 43 L 8.16 3.83 0.00 1.83 1.87 1.05 0.62 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 44 K 8.41 3.96 0.00 1.97 1.87 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.60 7.81 45 Q 8.70 4.02 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 46 L 8.72 4.01 0.00 1.89 1.71 0.93 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.40 4.00 0.00 2.22 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 2.41 2.59 0.00 48 D 8.95 4.40 0.00 2.77 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 49 A 8.03 4.37 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 50 G 8.09 3.93 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 0.00 0.00 0.00 51 I 7.60 3.64 2.03 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 1.29 0.57 0.89 0.00 0.00 52 V 7.10 3.77 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 0.16 0.00 0.00 0.86 0.00 0.00 53 R 8.30 4.03 0.00 1.78 1.88 0.00 3.32 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 54 Q 7.14 4.42 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.50 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 55 Y 8.76 4.61 0.00 2.99 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 56 A 8.32 4.73 1.20 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 0.00 0.00 57 A 8.46 4.37 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 58 L 8.38 4.62 0.00 1.60 1.59 0.99 0.98 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 59 L 8.22 4.42 0.00 1.54 1.52 0.87 0.88 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 60 S 8.17 4.46 0.00 3.83 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 61 P 0.00 4.02 0.00 2.15 1.91 0.00 3.59 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.49 0.00 62 E 8.53 3.89 0.00 2.05 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 2.39 2.40 0.00 63 S 7.80 4.17 0.00 3.89 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 64 V 7.86 4.27 2.04 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 0.75 0.00 0.00 0.93 0.00 0.00 65 N 8.17 4.12 0.00 2.96 2.83 0.00 0.00 7.27 6.83 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 66 L 7.52 4.75 0.00 1.67 1.69 0.80 0.81 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 67 G 8.32 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 68 L 8.27 4.76 0.00 1.74 1.63 0.60 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.72 4.62 0.00 2.20 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 1.71 1.16 0.00 70 A 8.84 4.98 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 71 F 8.78 4.73 0.00 2.84 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 72 I 8.80 4.46 2.10 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.88 1.12 0.00 0.00 73 R 9.24 4.79 0.00 1.96 1.95 0.00 3.13 0.00 0.00 3.11 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 74 V 8.57 4.53 2.29 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 0.84 0.00 0.00 1.12 0.00 0.00 75 S 9.35 5.03 0.00 3.88 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 76 I 8.33 4.53 2.06 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.79 1.11 0.00 0.00 77 R 9.01 4.10 0.00 1.76 1.86 0.00 3.33 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 78 K 8.55 4.28 0.00 1.69 1.75 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.49 7.81 79 A 7.98 4.76 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 80 K 8.67 4.40 0.00 1.79 1.78 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.44 7.81 81 D 8.02 4.53 0.00 2.84 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 82 A 8.11 4.03 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 83 R 7.62 4.01 0.00 2.19 2.02 0.00 3.26 0.00 0.00 3.41 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 84 E 7.95 4.04 0.00 2.03 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 2.40 2.35 0.00 85 D 8.56 4.41 0.00 2.74 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 86 F 8.22 3.86 0.00 2.96 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 87 A 7.64 3.44 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 88 A 7.92 3.82 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 89 S 7.61 3.83 0.00 3.85 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 6.81 2.25 1.50 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 0.73 0.00 0.00 -0.54 0.00 0.00 91 R 7.21 3.78 0.00 1.80 1.85 0.00 3.08 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 92 K 7.36 4.48 0.00 1.71 1.86 0.00 1.47 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.48 7.81 93 W 7.46 4.87 0.00 3.58 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 94 P 0.00 4.33 0.00 2.16 2.20 0.00 3.91 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 95 E 8.11 3.67 0.00 1.44 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 1.80 1.61 0.00 96 V 7.33 4.29 2.41 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 0.86 0.00 0.00 1.07 0.00 0.00 97 L 8.53 4.26 0.00 1.68 1.78 1.12 0.98 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 98 S 7.68 4.74 0.00 3.84 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 99 C 7.19 4.80 0.00 2.76 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 9.06 5.00 0.00 3.09 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 0.00 101 A 9.03 4.61 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 0.00 0.00 102 L 8.34 4.75 0.00 1.55 1.61 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.31 4.18 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 1.19 0.00 0.00 104 G 8.39 3.79 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 0.00 0.00 0.00 105 E 8.58 3.83 0.00 2.09 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 0.00 106 T 7.09 4.46 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 1.29 0.00 0.00 107 D 8.82 4.39 0.00 2.80 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.17 5.22 0.00 3.07 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 0.00 109 L 9.33 5.31 0.00 1.89 1.75 1.23 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.15 5.25 0.00 1.99 1.67 1.19 1.33 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 0.00 111 Q 8.51 4.49 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 1.78 1.25 0.00 112 A 8.10 4.95 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 0.00 113 F 8.44 5.10 0.00 2.68 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 0.00 114 F 9.63 4.85 0.00 2.93 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 0.00 115 T 9.23 4.18 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 1.24 0.00 0.00 116 D 8.32 4.65 0.00 2.74 2.52 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 0.00 0.00 0.00 *118 N 9.70 4.59 0.00 3.10 3.02 0.00 0.00 6.68 7.81 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 0.00 119 A 7.87 4.06 1.56 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 0.00 0.00 120 F 8.18 3.32 0.00 2.70 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 0.00 121 S 8.21 3.91 0.00 3.91 4.03 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 0.00 0.00 0.00 122 H 8.58 4.27 0.00 3.42 3.35 0.00 5.87 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.90 4.05 0.00 3.21 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 0.00 124 V 7.32 2.91 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 133 G 8.12 3.73 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 0.00 0.00 0.00 134 V 7.23 3.70 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 0.67 0.00 0.00 0.89 0.00 0.00 135 Q 9.02 4.19 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.43 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 136 D 7.80 4.87 0.00 2.71 2.42 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 0.00 137 A 8.30 5.25 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 0.00 138 Q 8.57 4.46 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 139 S 8.79 5.30 0.00 3.57 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 0.00 140 S 8.37 4.50 0.00 3.81 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 0.00 141 F 8.28 5.29 0.00 2.87 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 0.00 142 V 8.28 4.01 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.19 0.00 0.00 143 L 8.64 4.23 0.00 1.71 1.74 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.65 4.44 0.00 1.68 1.65 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.45 7.81 145 E 8.66 4.42 0.00 2.11 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 2.39 2.40 0.00 146 I 8.19 3.68 1.88 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 1.31 0.93 0.92 0.00 0.00 147 K 7.29 4.27 0.00 1.73 1.63 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.31 7.81 148 H 8.62 4.63 0.00 3.13 3.38 0.00 5.92 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.06 4.66 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 1.20 0.00 0.00 150 T 8.38 4.07 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 1.20 0.00 0.00 151 S 8.03 4.19 0.00 3.87 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 0.00 152 L 8.48 4.27 0.00 1.85 1.60 0.92 1.10 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 0.00 153 P 0.00 4.57 0.00 2.19 2.05 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 154 L 8.27 4.80 0.00 1.67 1.65 0.92 0.74 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 0.00 155 N 8.25 4.34 0.00 2.76 2.88 0.00 0.00 6.85 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 0.00 156 H 8.25 4.32 0.00 3.27 3.43 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.58 4.05 0.00 1.64 1.68 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 7.49 4.19 0.00 1.76 1.62 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.16 4.19 0.00 1.90 1.78 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.35 7.81 * Residues marked with a * may have inaccurate shift predictions.