NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 A 4.2510 8.2601 123.5848 51.9453 20.0023 175.5070 12 A 4.1994 8.2075 120.7892 50.0563 19.5939 175.7598 13 R 3.8812 9.3902 123.0615 57.0319 31.3396 174.0645 14 Q 4.6112 8.5966 124.0275 54.1400 30.6572 174.7986 15 L 4.5186 8.3103 122.1751 53.1241 43.5860 176.0661 16 V 4.0514 8.1485 122.6858 61.4868 32.8279 174.1596 17 F 5.0245 8.6754 126.4831 55.7746 41.6648 176.0133 18 L 4.6024 8.6680 121.6135 53.1617 43.6947 175.1314 19 L 4.9276 8.2347 123.2288 51.7805 44.1779 175.1550 20 P 4.2180 0.0000 0.0000 63.2865 31.8828 177.9585 21 E 3.9450 8.9759 119.2022 59.4253 29.9817 176.0906 22 H 4.6369 8.3246 113.9942 58.3148 29.0859 177.3327 23 L 3.7275 7.0541 119.1174 57.5701 41.6592 178.5664 24 K 3.9548 8.0606 118.6710 59.3045 32.2350 176.5645 25 D 4.4905 7.5886 117.4182 53.0824 39.9618 176.3220 26 A 4.1435 8.6285 126.8921 55.6234 18.8637 179.7634 27 S 4.0961 8.1812 115.2709 59.3629 62.4628 179.4599 *34 S 4.6678 8.3310 124.0641 59.2597 65.3369 176.5365 35 L 5.0639 8.0532 122.4984 53.9215 42.9373 180.7954 36 L 4.7893 8.6185 125.6622 52.1446 45.0608 172.4496 37 F 5.0341 9.2377 125.6830 56.4155 39.5177 176.0970 38 V 4.5544 9.2345 127.0067 59.7911 34.4389 172.7562 39 K 4.7337 9.0718 132.4379 54.9610 32.1488 173.5836 40 L 5.0938 9.0213 127.0941 51.4700 45.6393 172.2416 41 A 4.6977 8.4990 120.6708 51.9645 19.1043 177.1201 42 N 4.5947 8.2500 122.2034 52.8314 39.1073 173.3156 43 P 4.4350 0.0000 0.0000 65.8392 31.3430 177.1914 44 H 4.3085 8.0773 119.9980 57.9420 30.3915 175.4392 45 S 4.4212 7.2984 113.2336 56.4918 65.9452 175.2182 46 G 4.1768 8.7964 112.9042 42.9649 0.0000 175.0936 47 E 4.1718 8.8364 118.8975 58.5056 30.1112 176.8941 48 G 4.2073 7.5098 102.1419 46.4884 0.0000 171.8728 49 A 4.6337 8.5375 120.3707 51.6584 23.5845 175.3625 50 T 4.8336 8.0902 115.5365 62.9689 70.7422 174.1226 51 Y 5.1402 8.6918 122.4168 56.3543 42.6279 173.7200 52 L 4.8668 9.1074 126.4055 53.5669 44.3612 174.9232 53 I 5.0649 8.9240 127.1910 59.3921 40.4305 174.2112 54 D 4.7962 9.2695 128.1590 54.7015 41.4092 176.3596 55 M 4.2970 9.0740 128.8769 58.4193 32.9125 178.6971 56 C 4.2310 8.4292 117.1049 61.4982 28.3022 178.0971 57 L 4.0986 8.2968 120.8070 54.7767 41.3277 179.1627 58 Q 2.7465 7.9592 116.9567 56.9503 24.5874 177.9818 59 Q 4.4170 7.9469 123.9845 54.4787 33.8959 176.9789 60 L 5.0115 7.8304 118.8875 54.1681 44.8751 175.8699 61 F 5.5860 8.9488 119.3476 55.7893 43.9202 173.6938 62 E 4.7916 9.5127 121.0232 55.2061 32.2239 175.1925 63 I 5.1173 7.6518 121.9342 59.3280 38.6523 175.3947 64 K 4.6446 8.6580 126.5932 54.8951 34.8347 175.7930 65 V 4.8103 8.1604 121.0782 61.1912 34.7090 174.6098 66 F 4.7876 9.7787 133.2501 57.7399 40.3191 174.9828 67 K 4.6273 8.1450 129.6059 53.1138 34.5641 172.0296 68 E 4.2772 8.2058 127.4920 53.1173 32.6487 175.7431 69 K 3.5312 8.4915 126.8071 56.3581 32.0369 173.7282 70 H 4.0790 8.5149 122.3667 55.2883 25.1078 173.2178 71 H 5.0967 7.7100 116.6580 54.4206 33.1126 172.5371 72 S 4.6812 8.2006 114.3122 57.1776 66.2594 172.9220 73 W 4.9259 10.0174 121.0807 55.1166 31.9698 175.4084 74 F 5.6014 9.0340 122.1846 56.4950 39.7862 175.8027 75 I 4.3345 8.8269 126.7723 60.1006 38.5911 176.4976 76 N 4.0277 8.2265 125.9151 54.9400 37.7486 177.4854 77 Q 4.4566 8.4066 123.0279 54.6665 27.9572 174.0155 78 S 4.5937 7.4453 111.6555 57.4866 66.5341 174.6846 79 V 5.2249 8.4012 120.7790 60.0655 33.3244 174.5169 80 Q 4.8177 9.4936 126.1212 54.0784 31.2606 175.1341 81 S 4.1872 8.8071 121.3333 59.2494 63.8889 173.2330 82 G 4.2237 8.8739 113.1079 45.9502 0.0000 175.5928 83 G 3.2547 7.9233 105.5830 45.5763 0.0000 173.3856 84 L 5.0855 8.0758 118.5457 53.8859 42.8121 176.5879 85 L 4.8735 8.6958 123.9431 53.7986 45.0288 174.7227 86 H 5.1067 9.3594 124.9033 54.7046 31.0131 174.4322 87 F 5.3450 8.9915 119.6342 55.7225 42.6081 173.9855 88 A 5.0683 9.2065 126.2581 50.7968 19.9123 175.6481 89 T 4.7472 8.5353 111.9744 59.8135 71.4593 172.3600 90 P 4.8338 0.0000 0.0000 63.8435 31.8842 175.0209 91 M 4.6828 8.5917 124.1693 53.7427 34.7225 175.0463 92 D 4.7329 8.7921 124.9870 52.6830 41.2503 175.0462 93 P 4.3881 0.0000 0.0000 65.0002 31.2357 178.0072 94 L 3.6849 7.7839 118.5073 58.1120 41.5992 179.0142 95 F 4.3932 8.2854 119.3738 61.2208 39.0171 178.1139 96 L 4.2795 8.1301 122.7856 59.5982 41.3330 180.8123 97 L 4.3563 8.6348 121.1457 57.7749 41.0044 182.0051 98 L 4.2000 7.4784 118.3973 59.1397 41.8540 178.4706 99 H 4.5006 8.1547 113.3460 58.4415 28.4749 176.4262 100 Y 4.1676 7.6071 123.4484 60.2318 38.7725 177.1723 101 L 4.6420 7.7383 124.2482 58.7097 42.5023 182.9547 102 L 4.1577 8.4355 126.0853 60.0737 40.7122 182.3127 103 K 4.2863 7.9848 119.8247 57.2794 32.1630 180.1527 104 A 4.0564 8.3706 121.9572 55.1248 18.2429 179.0929 105 G 4.0202 9.0590 101.5321 46.3620 0.0000 175.4777 106 K 4.4750 7.5122 116.4603 55.0188 35.0224 180.2897 *123 P 4.5384 0.0000 0.0000 63.7378 33.0227 177.8252 124 D 4.8003 7.7588 116.6780 53.2152 40.8358 177.2728 125 C 3.9392 8.1228 121.5927 63.4492 30.9419 175.0043 126 T 3.7387 8.1419 112.7740 65.9914 67.8566 176.6946 127 L 3.6423 7.7308 129.0890 58.5257 41.1769 181.5433 128 L 4.3221 7.2153 121.9147 60.3866 40.8493 183.8244 129 L 4.6113 6.8715 121.3242 57.4597 41.7522 178.3439 130 R 4.0287 6.7134 121.1497 56.8038 28.7099 175.1794 131 F 5.1668 7.8173 121.3939 55.3150 43.0565 172.6607 132 P 4.3279 0.0000 0.0000 64.6467 31.9231 176.4766 133 E 3.8195 8.9954 116.1787 58.0117 27.3807 178.1574 134 L 4.1664 8.0503 126.4087 61.2833 41.1566 182.5418 135 E 4.3278 8.1933 119.3636 60.8572 29.4242 181.1785 136 K 4.4243 8.1423 120.3665 60.0671 32.8834 179.4441 137 S 4.4871 7.3325 118.5049 62.6028 62.7151 180.5743 138 L 4.3063 8.4587 124.8231 57.9620 41.3802 178.8795 139 R 4.2044 7.4838 119.2894 59.3734 29.7847 180.5979 140 H 4.8159 7.9980 117.5451 57.0380 31.7742 174.5821 141 V 4.0531 7.6070 117.9505 65.0201 34.8319 176.9655 142 T 4.2938 7.7272 111.3005 61.7979 67.9239 177.5116 143 E 4.5470 9.7051 122.3860 57.4945 36.8764 178.9710 *151 K 4.3337 8.6448 117.8680 54.8598 34.8568 176.7261 152 Y 4.5519 7.3084 116.4237 56.4069 39.4488 174.9294 153 Y 4.6351 8.8283 123.9502 56.4979 40.8053 175.7207 154 K 4.6595 8.7253 127.6304 53.1277 35.3544 173.2361 *155 Y 4.2399 8.6108 123.1460 55.7196 37.2650 172.3510 156 S 4.7084 8.5072 120.2845 56.0902 65.4362 176.1091 157 S 4.1140 8.8774 127.5571 63.4197 62.0083 173.5089 158 E 4.2709 8.1119 120.3263 61.4503 29.6339 182.5945 159 K 4.2331 8.0280 119.3286 59.4406 32.1541 179.4936 160 T 4.0184 7.6636 118.1894 67.3577 68.4288 177.2983 161 L 4.2661 7.9319 126.7247 60.0477 40.7621 181.9453 162 K 4.2928 7.9857 124.5555 59.3244 31.7558 181.4454 163 W 4.4412 8.7010 132.2264 61.0445 30.6601 178.8325 164 L 3.7336 8.9678 125.1393 60.0346 39.7916 181.5221 165 E 4.2892 8.3777 121.5204 61.5716 29.5576 182.2564 166 K 4.2281 7.7838 124.6852 59.4876 31.6641 181.6443 167 K 3.9600 7.5748 118.9262 59.2516 31.7645 179.4911 168 V 3.5663 7.4609 118.1855 66.2510 31.5435 177.9189 169 N 4.3444 7.8364 115.3008 56.1970 38.5180 177.2175 170 Q 3.9610 8.3500 121.6142 59.1412 29.2759 177.8675 171 T 4.2898 8.4341 112.0268 63.7476 68.7280 177.6390 172 V 3.7020 7.3963 123.1678 65.5145 31.8446 184.0487 173 V 3.6895 7.6234 117.3874 66.0704 31.3847 178.0630 174 A 4.0274 7.6439 122.0131 55.8001 18.3904 180.2688 175 L 4.0873 7.9277 122.4674 59.6028 40.6444 181.9854 176 K 4.1068 7.2051 120.2867 59.5198 31.8588 183.6933 177 A 4.3583 7.6498 122.9558 55.9292 18.6098 180.0064 178 N 4.4498 8.8307 118.6908 55.3783 39.0838 176.8992 179 N 4.2663 8.0807 116.8110 54.3168 34.1827 180.5723 180 V 3.8235 7.9827 119.0484 60.5151 31.6512 179.0509 181 N 4.3406 8.4944 126.5237 51.7547 36.2919 171.5996 *203 E 4.2188 8.2809 123.4872 55.4526 31.4093 175.5296 204 D 4.5027 8.1108 113.0214 57.7168 40.2536 174.6310 205 Y 4.3248 7.8201 117.8447 61.6971 37.7621 179.0587 206 V 3.7149 7.5469 122.4632 67.0529 31.4246 183.0230 207 R 4.2796 7.4918 121.2092 61.1598 28.8306 180.1421 208 Y 4.1250 8.0468 119.8371 60.6249 38.7869 177.7599 209 A 4.1143 8.5899 120.5660 55.4152 18.7661 178.8012 210 H 4.3620 8.0696 115.6676 59.3432 29.8294 177.6844 211 G 3.6056 7.7876 107.5108 47.7857 0.0000 175.5785 212 L 3.8902 7.4904 120.5217 57.6671 41.6382 179.5839 213 I 3.7916 7.4465 118.2662 63.6588 37.0551 178.4121 214 S 4.1895 7.5948 115.7646 61.4187 62.4410 175.5923 215 D 4.4212 7.4318 120.7768 55.5613 40.4891 176.7674 *216 Y 4.6668 7.7760 116.4448 56.0109 39.2359 180.1170 217 I 4.8888 7.5774 117.1385 58.8924 41.0209 173.5141 218 P 4.7131 0.0000 0.0000 64.9038 31.7162 178.2314 219 K 4.4957 8.0232 124.9165 58.2135 31.5206 183.9348 220 E 4.6100 8.2164 120.7475 61.5539 30.0291 183.4188 221 L 4.5723 7.6901 121.9620 60.0758 41.2386 184.6422 222 S 4.8124 8.1307 118.2109 62.2330 62.7015 178.7400 223 D 5.1259 7.8793 120.7226 54.4192 40.1268 183.9412 224 D 4.5833 8.1625 123.1991 56.6643 40.2279 182.3743 225 L 4.4053 7.9719 118.3142 57.1818 41.3702 183.6804 226 S 4.5615 7.7555 114.4285 60.2426 62.6823 180.0715 227 K 4.2016 7.2778 119.6761 55.6962 32.2396 181.4040 228 F 4.1575 9.1092 130.1650 57.6908 36.9423 176.8560 229 L 4.5532 8.0214 119.0412 54.0956 40.9515 180.9604 230 K 4.2250 8.5832 128.1834 57.7730 30.9170 179.5174 231 L 4.2697 7.5499 121.4156 54.7115 41.6677 177.6931 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 11 A 8.26 4.25 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 12 A 8.21 4.20 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 13 R 9.39 3.88 0.00 1.79 1.89 0.00 3.23 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 14 Q 8.60 4.61 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.50 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 15 L 8.31 4.52 0.00 1.72 1.57 0.94 0.82 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 16 V 8.15 4.05 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 0.41 0.00 0.00 -0.01 0.00 0.00 17 F 8.68 5.02 0.00 2.91 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 18 L 8.67 4.60 0.00 1.30 1.50 0.38 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.23 4.93 0.00 1.44 1.45 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.22 0.00 1.92 1.99 0.00 3.23 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.11 0.00 21 E 8.98 3.95 0.00 1.98 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 2.25 1.92 0.00 22 H 8.32 4.64 0.00 3.31 3.59 0.00 5.47 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.05 3.73 0.00 1.58 1.65 0.77 0.65 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 24 K 8.06 3.95 0.00 1.67 1.81 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.40 7.81 25 D 7.59 4.49 0.00 2.80 2.65 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 26 A 8.63 4.14 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 27 S 8.18 4.10 0.00 3.64 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 *34 S 8.33 4.67 0.00 3.44 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 35 L 8.05 5.06 0.00 1.40 1.46 0.92 0.73 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 36 L 8.62 4.79 0.00 1.29 1.50 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 37 F 9.24 5.03 0.00 2.94 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 38 V 9.23 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 0.71 0.00 0.00 0.93 0.00 0.00 39 K 9.07 4.73 0.00 1.54 1.66 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.01 7.81 40 L 9.02 5.09 0.00 1.30 1.50 0.92 0.80 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 41 A 8.50 4.70 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.25 4.59 0.00 2.93 2.83 0.00 0.00 7.25 7.57 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 43 P 0.00 4.43 0.00 2.48 2.40 0.00 3.90 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 44 H 8.08 4.31 0.00 3.11 3.36 0.00 5.96 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.30 4.42 0.00 3.62 3.57 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 46 G 8.80 4.18 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 0.00 47 E 8.84 4.17 0.00 1.91 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 2.31 1.87 0.00 48 G 7.51 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.54 4.63 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 50 T 8.09 4.83 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 1.43 0.00 0.00 51 Y 8.69 5.14 0.00 3.19 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 52 L 9.11 4.87 0.00 1.51 1.59 -0.17 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.92 5.06 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.03 1.22 0.00 0.00 54 D 9.27 4.80 0.00 3.01 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 55 M 9.07 4.30 0.00 2.01 2.28 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.70 0.00 56 C 8.43 4.23 0.00 2.73 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 57 L 8.30 4.10 0.00 1.68 1.60 0.92 0.64 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 58 Q 7.96 2.75 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.79 0.00 0.00 0.00 0.00 0.00 2.18 1.90 0.00 59 Q 7.95 4.42 0.00 1.69 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 60 L 7.83 5.01 0.00 1.29 1.52 0.92 0.85 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 61 F 8.95 5.59 0.00 3.04 3.03 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 62 E 9.51 4.79 0.00 1.92 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 0.00 2.47 2.34 0.00 63 I 7.65 5.12 2.00 0.00 0.00 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 1.71 2.04 1.08 0.00 0.00 64 K 8.66 4.64 0.00 1.67 1.68 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.29 7.81 65 V 8.16 4.81 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 0.54 0.00 0.00 0.94 0.00 0.00 66 F 9.78 4.79 0.00 3.43 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.14 4.63 0.00 1.53 1.53 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.24 0.96 7.81 68 E 8.21 4.28 0.00 1.18 1.57 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 2.01 2.13 0.00 69 K 8.49 3.53 0.00 1.81 1.62 0.00 2.00 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.05 7.81 70 H 8.51 4.08 0.00 3.19 3.32 0.00 5.85 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 7.71 5.10 0.00 2.96 2.82 0.00 5.70 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.20 4.68 0.00 4.00 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 73 W 10.02 4.93 0.00 3.08 3.03 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 74 F 9.03 5.60 0.00 2.97 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 75 I 8.83 4.33 1.89 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.00 0.88 0.00 0.00 76 N 8.23 4.03 0.00 2.85 2.07 0.00 0.00 7.09 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 77 Q 8.41 4.46 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 78 S 7.45 4.59 0.00 4.12 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 79 V 8.40 5.22 2.48 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 0.85 0.00 0.00 1.16 0.00 0.00 80 Q 9.49 4.82 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 81 S 8.81 4.19 0.00 3.93 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 82 G 8.87 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 0.00 0.00 0.00 0.00 83 G 7.92 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.08 5.09 0.00 1.60 1.53 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.70 4.87 0.00 2.06 1.69 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 86 H 9.36 5.11 0.00 1.86 2.09 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 F 8.99 5.35 0.00 2.91 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 88 A 9.21 5.07 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 89 T 8.54 4.75 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 1.31 0.00 0.00 90 P 0.00 4.83 0.00 2.07 2.18 0.00 3.80 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 2.22 2.55 0.00 91 M 8.59 4.68 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.68 0.00 92 D 8.79 4.73 0.00 3.02 3.18 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 93 P 0.00 4.39 0.00 2.19 2.11 0.00 3.69 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 94 L 7.78 3.68 0.00 1.83 1.43 0.54 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 95 F 8.29 4.39 0.00 3.16 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 96 L 8.13 4.28 0.00 1.74 1.58 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.63 4.36 0.00 1.61 1.69 0.92 0.65 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 98 L 7.48 4.20 0.00 2.01 1.72 0.78 0.92 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 99 H 8.15 4.50 0.00 3.31 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.61 4.17 0.00 2.92 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 0.00 101 L 7.74 4.64 0.00 1.66 1.61 0.92 0.60 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 0.00 102 L 8.44 4.16 0.00 1.61 1.70 0.92 0.89 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 0.00 103 K 7.98 4.29 0.00 1.77 1.76 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.01 7.81 104 A 8.37 4.06 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 9.06 4.02 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 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4.03 0.00 1.58 1.64 0.00 3.17 0.00 0.00 3.11 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 131 F 7.82 5.17 0.00 3.10 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 0.00 132 P 0.00 4.33 0.00 2.18 2.08 0.00 3.97 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 133 E 9.00 3.82 0.00 2.09 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 2.20 1.86 0.00 134 L 8.05 4.17 0.00 1.65 1.69 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.19 4.33 0.00 1.96 2.00 0.00 0.00 0.00 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 1.95 0.00 136 K 8.14 4.42 0.00 1.91 1.97 0.00 1.55 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.45 7.81 137 S 7.33 4.49 0.00 3.87 3.81 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 L 8.46 4.31 0.00 1.87 1.95 0.62 0.60 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0.00 0.00 0.00 0.00 162 K 7.99 4.29 0.00 1.72 1.84 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.31 7.81 163 W 8.70 4.44 0.00 3.46 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 L 8.97 3.73 0.00 1.64 1.66 0.92 0.95 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 0.00 165 E 8.38 4.29 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 2.24 2.19 0.00 166 K 7.78 4.23 0.00 1.72 1.85 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.35 7.81 167 K 7.57 3.96 0.00 1.64 1.67 0.00 1.49 0.00 0.00 1.52 0.00 0.00 2.68 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.75 0.27 7.81 168 V 7.46 3.57 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.97 0.00 0.00 169 N 7.84 4.34 0.00 2.92 2.82 0.00 0.00 6.69 7.18 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 0.00 170 Q 8.35 3.96 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 171 T 8.43 4.29 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 1.27 0.00 0.00 172 V 7.40 3.70 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 0.77 0.00 0.00 0.93 0.00 0.00 173 V 7.62 3.69 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 0.91 0.00 0.00 0.94 0.00 0.00 174 A 7.64 4.03 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 0.00 175 L 7.93 4.09 0.00 1.69 1.70 0.92 0.64 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 0.00 176 K 7.21 4.11 0.00 1.89 1.74 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.32 7.81 177 A 7.65 4.36 1.32 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 0.00 0.00 0.00 178 N 8.83 4.45 0.00 2.80 2.75 0.00 0.00 7.02 8.56 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 0.00 179 N 8.08 4.27 0.00 2.89 2.75 0.00 0.00 6.59 7.67 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 0.00 180 V 7.98 3.82 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 0.82 0.00 0.00 0.93 0.00 0.00 181 N 8.49 4.34 0.00 2.74 2.69 0.00 0.00 6.77 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 *203 E 8.28 4.22 0.00 1.91 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 2.21 1.88 0.00 204 D 8.11 4.50 0.00 2.60 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 Y 7.82 4.32 0.00 2.98 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 0.00 206 V 7.55 3.71 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 0.77 0.00 0.00 0.93 0.00 0.00 207 R 7.49 4.28 0.00 1.72 1.96 0.00 3.24 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 208 Y 8.05 4.13 0.00 3.01 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 A 8.59 4.11 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 H 8.07 4.36 0.00 3.27 3.57 0.00 5.60 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 0.00 211 G 7.79 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 0.00 212 L 7.49 3.89 0.00 1.81 1.66 1.02 0.74 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 0.00 213 I 7.45 3.79 1.86 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 1.58 0.74 1.10 0.00 0.00 214 S 7.59 4.19 0.00 3.95 3.99 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 0.00 215 D 7.43 4.42 0.00 2.66 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *216 Y 7.78 4.67 0.00 2.29 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 0.00 0.00 0.00 0.00 217 I 7.58 4.89 2.19 0.00 0.00 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 1.56 1.27 1.09 0.00 0.00 218 P 0.00 4.71 0.00 2.34 2.51 0.00 3.84 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 219 K 8.02 4.50 0.00 1.79 1.83 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.07 7.81 220 E 8.22 4.61 0.00 2.06 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 2.21 1.93 0.00 221 L 7.69 4.57 0.00 1.75 1.60 0.92 0.76 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 0.00 222 S 8.13 4.81 0.00 3.70 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 0.00 223 D 7.88 5.13 0.00 2.61 2.64 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 0.00 224 D 8.16 4.58 0.00 2.60 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 0.00 225 L 7.97 4.41 0.00 1.66 1.61 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 226 S 7.76 4.56 0.00 3.58 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 0.00 227 K 7.28 4.20 0.00 1.83 1.63 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.28 7.81 228 F 9.11 4.16 0.00 3.18 3.23 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 0.00 229 L 8.02 4.55 0.00 1.66 1.52 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 230 K 8.58 4.23 0.00 1.93 1.81 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.26 0.98 7.81 231 L 7.55 4.27 0.00 1.61 1.38 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.