NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4229 8.0333 117.3909 62.9653 69.9731 173.2498 3 L 3.6822 8.3993 126.1219 53.8490 42.0840 174.9974 4 H 4.3196 8.9841 123.1216 55.5445 31.3120 176.0703 5 K 3.9308 8.5457 127.9961 59.0607 32.2496 177.1934 6 E 4.4432 8.3180 116.1966 57.1583 30.1475 176.5688 7 R 4.8376 7.7087 117.5026 56.1499 30.6465 176.2004 8 R 4.1113 7.9221 118.4485 56.1301 30.0634 176.3383 9 I 3.0890 8.2835 125.1639 63.7032 38.0044 177.7239 10 G 3.4370 7.7970 105.8531 47.8338 0.0000 175.4088 11 R 3.8184 7.8052 121.4897 59.0187 29.5710 178.4363 12 L 3.8903 7.9186 118.7917 57.6742 41.2935 179.4432 13 S 4.0220 7.6528 112.5086 61.0552 62.4119 176.1060 14 V 3.8078 7.7346 121.1352 65.9019 31.3429 178.0284 15 L 3.9330 7.8095 118.7046 57.6367 41.1478 179.2786 16 L 3.9368 7.3314 118.6856 58.1193 42.0777 178.2045 17 L 4.1159 7.5203 118.0328 57.3168 41.6842 178.0762 18 L 4.1358 7.4767 116.0295 55.3487 42.3643 176.4030 19 N 4.5470 7.8772 117.3603 53.0552 38.8046 174.5491 20 E 4.2781 8.7624 125.0622 57.7319 29.9164 178.3095 *26 Q 4.4256 8.1703 118.5532 55.1737 30.5771 180.9113 27 V 3.6771 7.6819 117.9029 65.6862 31.5892 177.5448 28 E 4.0354 8.2879 121.1338 59.7898 29.5771 179.2174 29 E 4.0150 8.0921 117.8815 61.2518 30.1178 181.0799 30 L 4.5065 7.7562 120.6478 57.6283 41.4351 179.2997 31 E 4.3870 8.0801 119.7590 58.2403 29.6711 178.2543 32 R 4.2802 7.7938 116.3058 57.4230 30.7478 176.7219 33 D 4.7976 7.9546 118.6760 52.9967 44.4923 175.6708 34 G 3.8309 7.9108 107.3380 45.7424 0.0000 173.6769 35 W 5.2980 7.7955 118.4491 54.7395 32.4193 176.6757 36 K 4.9149 9.5614 124.4748 55.0485 33.1627 175.8174 37 V 5.0004 8.4986 124.8037 59.8939 34.0182 174.5564 38 C 4.8994 9.0343 124.4635 57.4975 34.4869 172.4837 39 L 5.0718 8.3427 125.2220 53.3373 44.2208 175.6907 40 G 3.4362 7.7137 106.5559 45.1935 0.0000 172.1257 41 K 5.1693 8.3575 120.0909 54.2370 34.9967 176.2928 42 V 4.5626 9.1731 123.9551 60.1301 35.0004 174.1419 43 G 4.3913 8.6389 111.1600 44.5211 0.0000 171.5734 44 S 4.7958 8.6670 118.0771 57.6823 66.6577 174.1000 45 M 4.6006 8.6895 118.0054 54.9340 32.8250 174.7042 46 D 5.1296 8.3757 120.8028 52.4081 43.6706 177.1636 47 A 4.0366 8.5652 125.7859 55.2706 18.4944 179.4764 48 H 4.2642 8.1101 113.3373 58.6234 28.5771 177.8426 49 K 4.0038 7.6149 120.8929 58.8533 32.0985 179.2799 50 V 3.4727 7.2726 118.0021 66.0206 31.4645 178.1740 51 I 3.5799 7.6180 119.1763 64.3172 36.9256 178.3555 52 A 4.0259 8.0878 121.4252 55.0144 18.2480 179.5906 53 A 4.0120 8.2823 119.7385 55.2778 18.4909 179.9913 54 I 3.2322 7.3026 118.0105 63.9740 37.1142 178.3045 55 E 3.9010 8.1279 120.2181 59.7193 29.5231 179.0681 56 T 3.9045 7.9139 115.5563 66.5901 68.5240 176.6446 57 A 4.1121 8.0152 122.2657 55.3386 18.5667 179.8264 58 S 4.2738 8.2799 113.2633 61.0242 62.6844 176.5812 59 K 4.2760 7.8796 122.7105 58.8282 32.1839 179.7693 60 K 4.2107 8.2706 124.2182 59.1247 32.0177 181.2858 61 S 4.6616 7.5009 112.8742 57.4752 63.8944 174.0392 62 G 3.9213 8.4280 107.1834 45.7524 0.0000 174.8472 63 V 3.7784 8.0333 120.3973 65.2389 31.4936 175.7822 64 I 4.8247 7.1984 109.7762 58.3476 40.2974 175.0960 65 Q 4.1430 9.1367 121.1679 56.4552 28.8560 177.1902 66 S 4.5039 8.6071 116.7010 59.1333 63.5992 173.9291 67 E 4.5879 7.9067 119.7303 55.3579 31.8458 176.8711 68 G 3.9073 8.6529 110.5244 45.8378 0.0000 172.3302 69 Y 4.7514 8.2714 116.4977 59.4389 39.9353 177.4903 70 R 3.6295 7.8300 119.0939 59.8462 30.1894 177.7991 71 E 4.0869 8.0908 117.3163 58.9572 29.6872 179.2085 72 S 4.2306 7.9895 115.0714 61.5367 63.0797 175.8690 73 H 3.9751 8.5632 121.3555 58.9711 29.0973 177.2337 74 A 4.1986 7.8229 123.7745 54.3307 18.1411 179.3618 75 L 4.0266 7.7908 118.9568 58.0831 42.1576 178.5627 76 Y 3.8690 8.0113 119.6677 60.9748 38.8105 177.6497 77 H 4.0579 8.1805 116.6699 58.8095 28.8350 177.6384 78 A 4.0460 7.6727 121.2920 55.4455 18.0729 179.8465 79 T 3.7385 7.7996 114.2067 67.0958 67.9875 176.8370 80 M 3.8667 7.7398 120.5034 58.3387 31.1613 178.7348 81 E 4.1314 8.3429 118.6357 59.2012 29.6094 179.1972 82 A 4.2475 7.8275 120.5561 55.0208 18.4988 179.4481 83 L 4.0329 8.2093 117.4191 57.7086 41.5096 179.3705 84 H 4.2379 7.9681 116.0103 58.7962 28.4009 177.9317 85 G 3.6474 7.4304 103.3004 47.6925 0.0000 175.7121 86 V 4.3652 7.8754 120.9022 65.2068 31.4646 177.5141 87 T 4.1598 8.2761 109.3536 62.3712 70.3980 173.6602 88 R 3.9954 8.7941 120.2971 53.8619 27.0070 173.9416 89 G 3.9209 7.6490 110.9703 44.9753 0.0000 171.4827 90 E 4.5413 7.7582 121.0951 53.8365 32.2644 177.3578 91 M 4.4187 8.3387 126.4342 53.8999 30.6106 175.2315 92 L 4.8255 7.2754 118.6760 52.9576 46.5855 174.6745 93 L 4.4640 8.0255 118.4991 55.4920 44.9209 178.7869 94 G 3.6974 7.6637 112.8006 48.8893 0.0000 175.8233 95 S 4.2616 8.0332 113.0955 60.0355 63.4226 174.7130 96 L 4.5061 7.6868 119.6161 53.7183 42.1835 175.9718 97 L 3.6188 7.5814 117.7845 55.7948 40.5485 173.3584 98 R 4.9463 8.2174 113.2660 55.3017 33.4956 175.3035 99 T 4.8316 9.0501 113.5550 60.7336 71.4987 172.6601 100 V 4.7993 8.9128 118.8306 59.4911 35.2404 175.2107 101 G 4.2883 8.8373 110.6262 44.2394 0.0000 171.2120 102 L 5.0787 8.8217 124.4219 53.6585 44.7119 175.5773 103 R 5.0684 9.6482 123.2518 54.4516 33.1822 174.2685 104 F 5.6316 9.1843 120.4460 55.0081 41.6598 173.5970 105 A 5.2508 8.9265 121.6529 50.2213 22.6355 175.2554 106 V 4.7387 9.0887 121.8225 61.3454 34.0366 174.2297 107 L 5.2474 8.5835 128.5742 53.3567 44.1984 175.9523 108 R 5.2170 9.8368 121.9409 53.8962 34.0938 174.9691 109 G 4.3881 8.2409 113.8656 44.4562 0.0000 170.6560 110 N 5.3424 8.2677 118.4398 51.4733 38.9811 172.6932 111 P 4.8320 0.0000 0.0000 62.4314 32.1949 175.0664 112 Y 4.9288 7.7922 117.1135 56.4989 39.8248 175.8359 113 E 4.1221 8.4684 119.8953 59.5857 29.9345 178.3677 114 S 4.2594 8.1798 116.8221 58.4840 62.5846 174.9378 115 E 4.2484 8.8620 123.1730 57.5900 29.7935 174.9982 116 A 4.2738 7.5576 119.7423 55.4237 18.7127 178.8916 117 E 4.0215 8.1248 115.2772 57.3238 29.4427 178.4325 118 G 3.9706 7.7839 108.4831 44.2615 0.0000 171.7174 119 D 4.9119 8.4332 118.0043 54.3222 41.9440 176.1535 120 W 4.8562 9.6593 122.5532 54.8778 33.4908 174.1181 121 I 5.1964 9.5972 121.2526 59.2940 41.0504 173.9464 122 A 5.1817 9.0919 129.8433 50.2520 21.9830 174.9266 123 V 4.5460 9.0959 123.9795 61.7540 33.4519 174.6134 124 S 5.4493 9.0435 124.6941 56.7684 66.0806 173.3677 125 L 5.2828 9.4164 123.4161 53.1994 44.8310 174.9816 126 Y 4.6980 9.7074 124.6701 54.2088 42.3318 175.0198 127 G 4.3410 6.3748 112.8153 46.1305 0.0000 172.6302 128 T 4.8038 7.4822 113.4633 59.3993 71.7103 172.7574 129 I 4.8277 8.1595 123.2158 59.0508 40.8760 175.2365 130 G 3.9966 8.0088 113.5341 45.6544 0.0000 172.2889 131 A 4.3608 8.2620 122.3095 51.3208 18.9007 176.1828 132 P 4.3213 0.0000 0.0000 65.7800 31.6052 177.7663 133 I 3.7877 7.6373 119.5612 61.5061 37.1773 176.2281 134 K 3.9045 8.3058 125.4607 58.1422 31.8946 177.9764 135 G 3.9735 7.8468 107.1453 46.5104 0.0000 174.2337 136 L 4.6222 7.3235 122.8423 51.8017 40.1950 174.8846 137 E 5.1768 7.6974 115.9185 55.5784 32.3498 175.2814 138 H 5.0455 7.9501 117.2218 53.3588 32.1318 173.0933 139 E 4.4874 8.7225 117.8410 57.0058 30.3132 176.7027 140 T 4.8286 8.6562 116.2546 60.6695 71.2741 172.5277 141 F 5.7253 8.1246 124.3291 54.5491 43.8399 174.3091 142 G 4.6648 8.1920 103.2892 46.1953 0.0000 172.4888 143 V 4.9877 8.8238 124.7247 61.0076 34.6017 174.5878 144 G 4.8102 9.2760 115.0263 43.5276 0.0000 171.5327 145 I 5.3791 8.4620 125.0415 59.6171 40.3112 174.3968 146 N 5.2884 9.2730 124.0953 52.2561 42.8499 173.1027 147 H 3.6181 8.2812 119.5311 54.9609 29.6666 175.1029 148 I 3.9709 7.7149 120.0969 61.2001 38.0619 174.9054 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 2 T 8.03 4.42 4.28 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 1.22 0.00 0.00 3 L 8.40 3.68 0.00 1.59 1.39 0.75 -0.19 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 4 H 8.98 4.32 0.00 3.23 3.28 0.00 5.79 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.55 3.93 0.00 1.66 1.79 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.37 7.81 6 E 8.32 4.44 0.00 2.13 2.06 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 2.29 2.36 0.00 7 R 7.71 4.84 0.00 1.91 2.10 0.00 2.77 0.00 0.00 2.66 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 8 R 7.92 4.11 0.00 1.80 1.83 0.00 3.07 0.00 0.00 3.20 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 9 I 8.28 3.09 1.92 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.76 0.87 0.00 0.00 10 G 7.80 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 0.00 0.00 0.00 11 R 7.81 3.82 0.00 1.81 1.99 0.00 3.13 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 12 L 7.92 3.89 0.00 1.27 1.34 0.85 0.61 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 13 S 7.65 4.02 0.00 3.78 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 14 V 7.73 3.81 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 1.01 0.00 0.00 1.03 0.00 0.00 15 L 7.81 3.93 0.00 1.69 1.66 0.87 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.33 3.94 0.00 1.71 1.84 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.52 4.12 0.00 1.80 1.68 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.48 4.14 0.00 1.53 1.57 0.91 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 19 N 7.88 4.55 0.00 2.70 2.73 0.00 0.00 6.99 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 20 E 8.76 4.28 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 *26 Q 8.17 4.43 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.91 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 27 V 7.68 3.68 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 1.04 0.00 0.00 0.92 0.00 0.00 28 E 8.29 4.04 0.00 2.09 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 2.39 2.39 0.00 29 E 8.09 4.02 0.00 2.01 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 2.31 1.97 0.00 30 L 7.76 4.51 0.00 1.74 1.97 0.87 0.71 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 31 E 8.08 4.39 0.00 2.39 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 32 R 7.79 4.28 0.00 1.94 1.97 0.00 3.22 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 33 D 7.95 4.80 0.00 2.93 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 34 G 7.91 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 35 W 7.80 5.30 0.00 3.41 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 36 K 9.56 4.91 0.00 1.78 1.83 0.00 1.66 0.00 0.00 1.88 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.44 7.81 37 V 8.50 5.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 38 C 9.03 4.90 0.00 3.06 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 39 L 8.34 5.07 0.00 1.45 1.39 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.71 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 0.00 0.00 0.00 41 K 8.36 5.17 0.00 1.55 1.67 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.28 7.81 42 V 9.17 4.56 2.32 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 0.79 0.00 0.00 0.95 0.00 0.00 43 G 8.64 4.39 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 0.00 44 S 8.67 4.80 0.00 3.81 3.68 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 45 M 8.69 4.60 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 46 D 8.38 5.13 0.00 2.49 2.33 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 47 A 8.57 4.04 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 48 H 8.11 4.26 0.00 3.44 3.60 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.61 4.00 0.00 1.82 1.83 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.28 7.81 50 V 7.27 3.47 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.90 0.00 0.00 51 I 7.62 3.58 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.56 0.94 0.00 0.00 52 A 8.09 4.03 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 53 A 8.28 4.01 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 54 I 7.30 3.23 1.69 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.18 -0.04 0.74 0.00 0.00 55 E 8.13 3.90 0.00 2.18 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 56 T 7.91 3.90 4.28 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 1.25 0.00 0.00 57 A 8.02 4.11 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 0.00 0.00 0.00 0.00 0.00 58 S 8.28 4.27 0.00 4.12 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 59 K 7.88 4.28 0.00 1.97 1.89 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.26 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.61 7.81 60 K 8.27 4.21 0.00 1.83 1.72 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.32 7.81 61 S 7.50 4.66 0.00 4.01 3.96 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 62 G 8.43 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 0.00 0.00 0.00 63 V 8.03 3.78 2.27 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 0.92 0.00 0.00 1.00 0.00 0.00 64 I 7.20 4.82 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.89 0.95 0.00 0.00 65 Q 9.14 4.14 0.00 2.12 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 66 S 8.61 4.50 0.00 3.88 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 67 E 7.91 4.59 0.00 1.92 1.85 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 2.22 2.34 0.00 68 G 8.65 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 69 Y 8.27 4.75 0.00 2.95 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 70 R 7.83 3.63 0.00 1.89 1.91 0.00 3.20 0.00 0.00 3.31 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 71 E 8.09 4.09 0.00 2.06 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 2.38 2.38 0.00 72 S 7.99 4.23 0.00 4.11 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 73 H 8.56 3.98 0.00 1.89 3.07 0.00 5.59 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 74 A 7.82 4.20 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 75 L 7.79 4.03 0.00 1.86 1.86 0.93 1.26 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 76 Y 8.01 3.87 0.00 3.13 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 77 H 8.18 4.06 0.00 3.21 3.31 0.00 5.68 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 78 A 7.67 4.05 1.41 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 79 T 7.80 3.74 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 1.03 0.00 0.00 80 M 7.74 3.87 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.11 0.00 81 E 8.34 4.13 0.00 2.19 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 2.37 2.56 0.00 82 A 7.83 4.25 1.47 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 0.00 0.00 83 L 8.21 4.03 0.00 1.76 1.65 0.79 1.16 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 84 H 7.97 4.24 0.00 3.53 3.36 0.00 5.81 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 85 G 7.43 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 86 V 7.88 4.37 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 0.76 0.00 0.00 1.04 0.00 0.00 87 T 8.28 4.16 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 88 R 8.79 4.00 0.00 2.01 2.03 0.00 3.19 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.87 0.00 89 G 7.65 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 0.00 0.00 0.00 90 E 7.76 4.54 0.00 1.92 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 2.20 2.19 0.00 91 M 8.34 4.42 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 92 L 7.28 4.83 0.00 1.60 1.48 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.03 4.46 0.00 1.85 1.61 0.88 0.85 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 94 G 7.66 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 95 S 8.03 4.26 0.00 3.99 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 96 L 7.69 4.51 0.00 1.62 1.68 0.92 0.96 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 97 L 7.58 3.62 0.00 1.75 1.67 0.91 0.62 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 98 R 8.22 4.95 0.00 1.73 1.80 0.00 3.05 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 99 T 9.05 4.83 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 100 V 8.91 4.80 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 0.87 0.00 0.00 0.96 0.00 0.00 101 G 8.84 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 0.00 0.00 0.00 0.00 102 L 8.82 5.08 0.00 1.82 1.65 0.83 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 103 R 9.65 5.07 0.00 1.67 1.76 0.00 3.02 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 104 F 9.18 5.63 0.00 3.20 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 0.00 105 A 8.93 5.25 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 9.09 4.74 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 1.04 0.00 0.00 1.08 0.00 0.00 107 L 8.58 5.25 0.00 1.54 1.31 0.81 -0.05 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 0.00 108 R 9.84 5.22 0.00 1.96 1.84 0.00 3.36 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 109 G 8.24 4.39 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 0.00 110 N 8.27 5.34 0.00 2.80 2.76 0.00 0.00 7.32 7.69 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 0.00 111 P 0.00 4.83 0.00 1.90 2.45 0.00 4.08 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.89 0.00 112 Y 7.79 4.93 0.00 3.12 2.92 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 0.00 113 E 8.47 4.12 0.00 2.07 2.06 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 2.40 2.41 0.00 114 S 8.18 4.26 0.00 3.88 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 0.00 115 E 8.86 4.25 0.00 1.93 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 2.31 1.88 0.00 116 A 7.56 4.27 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 0.00 117 E 8.12 4.02 0.00 2.44 2.24 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 2.28 2.08 0.00 118 G 7.78 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 0.00 119 D 8.43 4.91 0.00 2.66 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 0.00 120 W 9.66 4.86 0.00 3.36 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 0.00 121 I 9.60 5.20 1.94 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 1.22 1.75 1.00 0.00 0.00 122 A 9.09 5.18 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 0.00 123 V 9.10 4.55 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 1.01 0.00 0.00 0.94 0.00 0.00 124 S 9.04 5.45 0.00 3.86 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 0.00 125 L 9.42 5.28 0.00 1.54 1.55 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 9.71 4.70 0.00 2.52 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 G 6.37 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 0.00 0.00 0.00 0.00 128 T 7.48 4.80 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 129 I 8.16 4.83 1.80 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 1.17 1.58 0.79 0.00 0.00 130 G 8.01 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 0.00 131 A 8.26 4.36 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 0.00 132 P 0.00 4.32 0.00 2.03 2.15 0.00 3.67 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 2.03 2.13 0.00 133 I 7.64 3.79 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.46 0.90 0.00 0.00 134 K 8.31 3.90 0.00 1.68 1.74 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.02 7.81 135 G 7.85 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 0.00 136 L 7.32 4.62 0.00 1.55 1.61 0.91 1.16 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 0.00 137 E 7.70 5.18 0.00 1.96 1.80 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 2.12 2.18 0.00 138 H 7.95 5.05 0.00 3.20 3.47 0.00 5.46 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.72 4.49 0.00 1.99 2.01 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 2.28 2.33 0.00 140 T 8.66 4.83 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 1.08 0.00 0.00 141 F 8.12 5.73 0.00 3.00 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 0.00 142 G 8.19 4.66 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 0.00 0.00 0.00 143 V 8.82 4.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.99 0.00 0.00 144 G 9.28 4.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 I 8.46 5.38 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.77 1.16 0.00 0.00 146 N 9.27 5.29 0.00 2.80 2.58 0.00 0.00 6.64 7.41 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 0.00 147 H 8.28 3.62 0.00 2.34 1.44 0.00 5.52 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 0.00 148 I 7.71 3.97 1.84 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 1.15 0.92 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.