NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 K 4.1388 8.3144 120.1341 56.1664 33.2567 175.0378 22 K 4.0143 8.5870 126.0961 54.8027 31.3368 173.8508 23 Q 4.4677 8.4908 125.6588 53.9725 31.4494 176.3873 24 V 3.8583 8.4987 124.1549 61.5181 30.1313 173.5223 25 T 3.5736 7.3595 116.5215 58.0991 68.4460 172.3638 26 N 4.7476 8.4980 126.9774 52.1936 40.0194 172.7128 27 P 4.5638 0.0000 0.0000 62.0635 33.0240 174.9518 28 I 4.3709 8.2832 125.2963 60.5716 39.0689 174.1604 29 D 4.3515 8.4444 126.3417 53.4647 42.4535 177.1782 30 E 3.4057 9.0421 116.5010 57.6760 29.9013 175.6069 31 K 4.0585 8.6558 113.7205 59.5871 32.8650 178.8857 32 N 4.1377 8.4717 116.0460 54.9147 38.5310 176.8272 33 G 3.8485 7.6921 102.4100 45.8803 0.0000 172.9344 34 T 4.6768 7.2284 116.9037 62.0367 70.4395 174.1689 35 S 4.6841 8.4270 121.7342 57.2817 63.8912 173.6426 36 N 4.3965 8.5307 124.4073 54.5282 38.9243 174.1521 37 C 4.6427 9.0927 121.7974 59.5105 30.3918 173.0773 38 I 5.0846 7.8553 120.7112 60.1280 38.2057 175.5603 39 V 4.5204 8.9035 125.9542 59.8351 35.0171 174.3409 40 R 4.2575 8.4829 123.7993 55.4366 31.1736 175.9628 41 V 4.2610 8.4601 125.6789 59.1544 33.8045 172.7007 42 P 5.0317 0.0000 0.0000 61.8363 31.9732 176.0689 43 I 4.8813 8.9354 117.2796 59.0147 41.5386 173.8410 44 A 5.5048 8.7802 124.6720 50.1939 21.3644 175.5958 45 L 4.9327 9.1387 121.7395 54.1512 44.5413 175.1362 46 Y 4.1197 8.2118 122.6457 56.1169 39.2657 174.9077 47 V 4.0597 8.2349 127.4156 60.0801 34.4119 175.4798 48 S 4.9638 8.1761 118.0940 56.4750 60.2231 173.0435 49 L 4.1326 7.9369 123.4572 54.9363 42.9736 175.8796 50 A 4.6650 8.5101 125.7283 49.2240 20.8842 176.9211 51 P 4.1517 0.0000 0.0000 63.1403 30.7652 177.2718 *53 Y 4.6952 7.9234 113.6128 58.5424 39.4784 175.5122 54 L 4.1370 7.6465 120.5367 55.4717 42.1989 177.3903 55 E 3.8500 8.9119 118.7285 56.4624 28.4555 174.1524 56 N 4.6480 7.2952 111.2650 52.3763 41.4754 172.6781 57 P 4.4941 0.0000 0.0000 64.4947 32.0113 177.9168 58 L 4.0470 7.9626 119.4113 58.6396 42.0337 178.8007 59 Q 4.2104 8.0468 115.2007 57.8732 28.7790 178.5755 60 G 2.7125 6.9949 106.8018 47.0290 0.0000 177.2203 61 V 3.6007 8.2366 124.8243 61.6892 30.5297 176.7581 *63 K 4.2510 7.6769 114.7164 55.8083 33.5920 175.2282 64 Q 4.3654 8.1165 118.1504 55.7188 30.8376 175.1967 65 H 4.7609 7.6106 113.3480 57.1623 32.1640 177.4877 66 L 3.6571 7.9239 108.8132 56.8732 41.7929 179.1598 67 N 4.3187 9.7826 122.7656 57.1790 39.9074 173.0185 68 P 4.4040 0.0000 0.0000 65.2677 31.5797 176.7680 69 L 4.4829 8.3005 116.0168 56.1231 43.5189 177.5619 70 V 4.6573 8.0414 118.7448 62.2549 29.8413 175.8309 *72 K 4.3009 7.5685 119.8921 56.1786 34.4727 176.7447 73 Y 4.3067 8.7871 125.2579 58.1124 40.2081 174.2037 74 N 5.2415 8.0892 123.2969 52.1170 42.3578 174.9052 75 N 4.6432 8.9350 121.8623 55.7525 39.3877 177.7881 76 K 4.0731 8.2274 116.8871 58.6739 32.1874 178.1213 77 V 4.1285 7.8454 109.4604 60.5153 32.8345 176.6070 78 G 4.0067 7.5692 107.0887 44.5193 0.0000 172.8376 79 G 3.5629 6.2388 111.8198 45.1436 0.0000 170.1447 80 V 4.1872 7.6309 119.9331 62.3769 32.9599 175.3932 81 V 4.3787 8.2720 127.8676 62.2719 31.0515 176.3618 82 L 4.2040 9.1891 129.5994 55.6431 42.3811 177.8737 83 G 4.0572 7.2273 106.5542 44.8644 0.0000 170.0897 84 Y 5.4932 6.9059 116.7700 55.3160 41.3532 174.0443 85 E 4.6302 8.9695 119.0661 56.1225 32.8133 175.8627 86 G 3.9876 8.5432 111.7969 45.6412 0.0000 173.1157 87 L 3.7327 7.6446 119.7320 54.6779 42.6953 176.4587 88 K 4.4305 8.9768 126.2749 54.6920 33.9467 176.3049 89 I 3.9850 8.7486 128.0007 64.0006 38.4943 178.7090 90 L 3.9189 7.6821 119.9815 57.4506 41.7666 178.4496 91 D 4.3364 8.2237 118.1181 55.9824 41.6333 176.2967 92 A 4.8017 8.7035 120.7196 50.6687 22.2080 175.0600 93 D 4.6639 8.0504 120.8698 53.7447 43.5824 173.4590 94 P 4.5506 0.0000 0.0000 64.3839 33.1579 176.2714 *114 G 3.6454 7.8213 105.8855 44.5870 0.0000 171.5431 115 F 5.0215 7.3230 117.0567 56.2156 42.0107 174.8241 116 T 4.3321 7.6099 110.7090 61.9108 71.2154 171.8279 117 W 5.5100 9.1849 126.8979 55.7214 31.0971 175.1058 118 C 5.1586 9.2319 117.6747 57.3413 33.8022 172.1852 119 H 5.5384 9.5083 119.0222 54.6871 32.6458 172.4062 120 V 4.7427 8.5703 124.1138 60.1965 35.4011 174.2087 121 N 5.0377 8.8593 118.5024 51.4387 40.1556 174.6628 122 L 4.5945 8.4047 124.1200 54.6957 43.6626 175.7644 123 Y 4.8965 9.0015 118.4382 56.2681 41.0579 175.0612 124 V 4.9110 8.7603 123.4855 60.7872 35.4695 173.9954 125 W 4.9516 9.1865 135.0000 55.9036 31.5117 176.0560 126 Q 4.8041 8.0940 131.6898 54.0440 27.3365 173.5682 127 P 3.9127 0.0000 0.0000 63.1732 32.2971 175.8694 128 Q 4.4452 9.5088 118.4046 53.6376 32.8396 174.9479 129 V 3.6098 8.2438 119.9460 65.0427 31.7231 176.2766 130 G 3.9987 8.9225 116.0010 45.2038 0.0000 173.6273 131 D 4.3959 8.0877 119.7779 54.4432 42.4829 176.0599 132 V 4.2815 8.6729 122.0753 61.6417 32.9270 174.8971 133 L 4.7303 7.7918 128.3084 53.0246 44.6791 175.2109 134 E 5.3041 8.3559 118.0425 55.1796 33.2373 175.7966 135 G 4.2253 8.9538 107.6484 45.4862 0.0000 172.1906 136 Y 5.1885 8.2507 119.0109 57.3079 39.9268 174.9740 137 I 4.3594 8.5772 123.3717 61.2596 37.6038 175.2172 138 F 5.4180 8.7192 133.8768 56.7364 42.3329 174.2108 139 I 3.6872 7.5925 110.3048 61.9239 37.7001 174.8534 140 Q 5.2651 8.4257 124.5844 54.5489 31.3348 175.0540 141 S 4.4307 8.4288 111.7926 57.0445 65.9558 175.3675 142 A 2.0000 6.7143 124.7919 53.4483 18.1223 174.4939 143 S 3.6269 9.9758 122.2468 59.5624 58.6697 167.3203 144 H 4.5884 8.5138 126.7887 57.2804 27.5049 173.0260 145 I 4.1931 7.5498 126.5962 60.2013 38.8321 174.8753 146 G 4.3951 8.7440 113.7818 44.6486 0.0000 172.5407 147 L 5.6217 9.6607 123.8633 52.7387 46.7989 175.6868 148 L 5.0480 8.8678 118.7948 53.0185 44.9352 176.2362 149 I 4.0627 9.2455 126.6058 61.9984 38.2119 176.4606 150 H 4.1221 9.2342 122.6904 56.5034 26.2993 173.8834 151 D 4.4456 8.3558 113.9768 54.7277 39.3455 173.8080 152 A 4.3210 7.8289 116.5876 51.5084 24.3973 177.0050 153 F 5.1542 7.5767 115.1033 55.3044 42.5373 174.4266 154 N 5.1414 9.1120 120.9791 53.3815 39.3545 173.9320 155 A 5.4499 9.0112 125.4342 50.4093 23.1270 174.7435 156 S 4.8835 8.8093 113.4173 56.9993 67.1945 173.1253 157 I 4.8173 8.1472 116.2667 57.9391 39.9903 175.7148 158 K 4.4343 8.4923 125.1328 55.5555 33.1330 177.5984 159 K 3.8031 8.7962 121.7700 59.9456 32.2018 178.4529 160 N 4.2566 8.2948 114.4907 56.5689 38.6697 175.3302 161 N 4.6419 8.0948 113.5339 53.2079 38.8140 174.2241 162 I 4.0624 7.5218 120.7329 59.5753 38.4806 176.3112 163 P 3.6522 0.0000 0.0000 63.4746 31.4579 178.2456 164 V 3.7721 7.8197 116.2045 61.5526 31.1876 171.5430 165 D 5.0896 7.8103 117.6274 52.9664 40.8106 175.1538 166 W 5.0513 8.4563 119.5088 56.5770 30.4935 175.6261 167 T 4.7030 9.5749 121.6841 61.7568 70.9300 173.1923 168 F 4.5416 8.5218 128.3587 56.4632 40.5523 174.8005 169 V 4.0859 7.3173 126.1778 60.2333 33.6964 175.4971 170 H 4.5292 8.3779 121.1139 54.7847 30.7707 174.9922 171 N 4.4405 8.6392 118.7844 53.0901 38.1573 173.3264 172 D 4.1714 8.5180 121.7368 55.1499 39.0780 175.3634 *210 G 4.2284 7.8776 104.6696 45.6303 0.0000 173.7910 *213 S 4.4464 8.0697 114.8388 57.5207 64.3811 174.6373 214 L 4.6843 7.5571 118.6918 53.4954 40.9044 176.9706 215 G 3.5215 7.7332 107.7918 45.9313 0.0000 172.5060 216 H 4.9452 7.8930 118.2708 56.1730 29.1602 174.8171 217 W 3.9057 8.1238 113.9633 59.2513 25.6837 173.1693 218 V 4.1845 8.1769 124.1234 61.0142 32.7128 176.0673 219 D 4.2706 7.5680 125.1319 52.1382 40.1057 176.1756 220 S 4.4239 7.7339 110.8293 61.7231 63.0141 175.5754 221 N 4.3415 8.2874 119.6252 55.6346 38.8357 175.8401 222 G 4.2692 7.6060 106.4622 46.0169 0.0000 171.4491 223 E 4.4214 8.8995 121.6974 53.7771 32.8827 172.2626 224 P 4.0674 0.0000 0.0000 64.2056 31.3791 176.8678 225 I 3.0751 8.5162 115.6694 61.1423 35.0472 176.4001 226 D 3.9171 6.7258 122.3513 54.1388 43.7156 176.9398 227 G 4.3709 7.2055 115.3381 45.6530 0.0000 171.9188 228 K 5.1137 9.3677 123.1737 54.4063 34.5588 175.5711 229 L 4.9194 9.5695 128.4479 53.1260 44.3872 175.3795 230 R 5.0368 8.5570 123.1824 55.2732 31.6619 175.0888 231 F 5.0185 8.6304 119.1788 56.3590 41.9522 172.5945 232 T 4.9139 8.2520 110.4509 59.8059 71.2949 174.0446 233 V 4.1701 9.1693 126.2712 63.3291 32.1048 176.1166 234 R 4.5836 8.7154 127.2591 56.1913 32.3048 175.1988 235 N 4.1479 7.6045 113.8000 53.1407 42.3508 173.0782 236 V 4.2549 8.5107 126.8538 61.8700 32.7590 175.4203 237 H 4.5902 9.1887 127.8356 55.2191 28.4500 174.0298 238 T 3.9779 7.8937 119.4879 62.9536 69.3480 174.5755 239 T 3.9624 8.7497 115.3053 62.1906 67.9628 170.6405 240 G 4.0668 8.1560 116.4151 45.1039 0.0000 174.9126 241 R 4.5864 7.4001 122.4200 54.1076 33.0722 175.5095 242 V 3.5049 8.1567 116.7591 61.7560 32.1593 176.9371 243 V 3.9635 8.4842 127.0489 61.9165 32.4746 175.2827 244 S 4.9518 8.7017 116.8682 56.6707 65.7914 172.5570 245 V 4.5325 9.2215 127.8330 61.9326 33.0848 174.0276 246 D 5.0951 9.6892 129.3107 53.3650 41.8190 175.4341 247 G 4.5581 8.7720 113.9598 44.8159 0.0000 170.7741 248 T 4.8339 8.6509 113.0351 60.5706 70.6951 173.9017 249 L 4.5786 8.3005 127.6003 54.6419 42.4823 176.9855 250 I 3.7955 7.4612 126.0490 61.5724 37.0015 175.7451 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 21 K 8.31 4.14 0.00 1.73 1.83 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.50 7.81 22 K 8.59 4.01 0.00 1.76 1.74 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.57 7.81 23 Q 8.49 4.47 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.11 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 24 V 8.50 3.86 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 0.73 0.00 0.00 0.90 0.00 0.00 25 T 7.36 3.57 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 1.18 0.00 0.00 26 N 8.50 4.75 0.00 2.76 2.88 0.00 0.00 7.08 8.02 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 27 P 0.00 4.56 0.00 2.10 2.16 0.00 3.84 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 28 I 8.28 4.37 1.83 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 1.38 0.90 0.89 0.00 0.00 29 D 8.44 4.35 0.00 2.77 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 9.04 3.41 0.00 2.19 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 2.20 2.34 0.00 31 K 8.66 4.06 0.00 1.82 1.84 0.00 1.77 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.47 7.81 32 N 8.47 4.14 0.00 3.08 2.91 0.00 0.00 6.94 8.17 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 33 G 7.69 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 0.00 0.00 0.00 34 T 7.23 4.68 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 35 S 8.43 4.68 0.00 3.83 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 36 N 8.53 4.40 0.00 2.82 2.80 0.00 0.00 7.11 6.93 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 37 C 9.09 4.64 0.00 2.73 2.35 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 38 I 7.86 5.08 2.00 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 1.57 0.68 1.11 0.00 0.00 39 V 8.90 4.52 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 0.75 0.00 0.00 0.88 0.00 0.00 40 R 8.48 4.26 0.00 1.53 1.68 0.00 2.98 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 0.00 41 V 8.46 4.26 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 0.68 0.00 0.00 0.90 0.00 0.00 42 P 0.00 5.03 0.00 1.99 2.21 0.00 3.63 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 43 I 8.94 4.88 1.92 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 1.28 0.78 0.92 0.00 0.00 44 A 8.78 5.50 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 45 L 9.14 4.93 0.00 1.72 1.78 0.82 0.41 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 46 Y 8.21 4.12 0.00 1.43 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 0.00 0.00 0.00 47 V 8.23 4.06 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 0.55 0.00 0.00 0.80 0.00 0.00 48 S 8.18 4.96 0.00 4.05 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.94 4.13 0.00 1.65 1.63 0.87 0.99 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 50 A 8.51 4.67 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 51 P 0.00 4.15 0.00 2.17 2.24 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 *53 Y 7.92 4.70 0.00 3.17 3.14 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 54 L 7.65 4.14 0.00 1.81 1.59 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.91 3.85 0.00 2.10 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 2.20 2.29 0.00 56 N 7.30 4.65 0.00 2.74 2.71 0.00 0.00 6.94 7.55 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 57 P 0.00 4.49 0.00 2.31 2.31 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 58 L 7.96 4.05 0.00 1.66 1.78 0.95 0.77 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 59 Q 8.05 4.21 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 60 G 6.99 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 0.00 0.00 0.00 61 V 8.24 3.60 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 0.86 0.00 0.00 0.89 0.00 0.00 *63 K 7.68 4.25 0.00 1.50 1.68 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.48 7.81 64 Q 8.12 4.37 0.00 1.81 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.35 6.55 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 65 H 7.61 4.76 0.00 2.90 2.85 0.00 5.71 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 66 L 7.92 3.66 0.00 1.79 1.35 0.99 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 67 N 9.78 4.32 0.00 2.70 2.88 0.00 0.00 6.86 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 68 P 0.00 4.40 0.00 2.23 2.14 0.00 3.78 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 2.04 2.17 0.00 69 L 8.30 4.48 0.00 1.90 1.78 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.04 4.66 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 1.14 0.00 0.00 1.04 0.00 0.00 *72 K 7.57 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 1.13 0.00 0.00 81 V 8.27 4.38 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.95 0.00 0.00 82 L 9.19 4.20 0.00 1.69 1.77 1.06 1.05 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 83 G 7.23 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 84 Y 6.91 5.49 0.00 3.01 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.97 4.63 0.00 2.13 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 2.32 2.32 0.00 86 G 8.54 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 0.00 0.00 0.00 87 L 7.64 3.73 0.00 1.66 1.68 0.94 0.49 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 88 K 8.98 4.43 0.00 1.98 1.69 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.39 7.81 89 I 8.75 3.99 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.95 0.00 0.00 90 L 7.68 3.92 0.00 1.80 1.71 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.22 4.34 0.00 2.67 3.30 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 92 A 8.70 4.80 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 93 D 8.05 4.66 0.00 2.66 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 94 P 0.00 4.55 0.00 2.22 2.13 0.00 3.88 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 *114 G 7.82 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 0.00 115 F 7.32 5.02 0.00 2.78 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 0.00 0.00 0.00 116 T 7.61 4.33 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 1.18 0.00 0.00 117 W 9.18 5.51 0.00 3.31 3.45 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 0.00 118 C 9.23 5.16 0.00 3.08 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 H 9.51 5.54 0.00 3.24 3.20 0.00 5.72 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 0.00 120 V 8.57 4.74 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 0.63 0.00 0.00 1.00 0.00 0.00 121 N 8.86 5.04 0.00 2.80 2.68 0.00 0.00 7.44 6.32 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 0.00 122 L 8.40 4.59 0.00 1.59 1.65 0.95 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 123 Y 9.00 4.90 0.00 2.96 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 0.00 124 V 8.76 4.91 2.06 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 W 8.46 5.05 0.00 3.35 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 0.00 167 T 9.57 4.70 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 1.22 0.00 0.00 168 F 8.52 4.54 0.00 1.51 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 0.00 169 V 7.32 4.09 1.87 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 0.30 0.00 0.00 0.77 0.00 0.00 170 H 8.38 4.53 0.00 2.90 3.37 0.00 5.88 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 0.00 171 N 8.64 4.44 0.00 2.78 2.74 0.00 0.00 7.05 8.47 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 0.00 172 D 8.52 4.17 0.00 2.85 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 *210 G 7.88 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 0.00 0.00 0.00 *213 S 8.07 4.45 0.00 3.88 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 0.00 214 L 7.56 4.68 0.00 1.76 1.59 0.91 0.85 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 0.00 215 G 7.73 3.52 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 0.00 0.00 0.00 216 H 7.89 4.95 0.00 3.30 3.31 0.00 5.63 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 W 8.12 3.91 0.00 3.94 3.39 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 0.00 218 V 8.18 4.18 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 0.98 0.00 0.00 0.86 0.00 0.00 219 D 7.57 4.27 0.00 2.62 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 0.00 0.00 0.00 220 S 7.73 4.42 0.00 4.13 4.46 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 0.00 221 N 8.29 4.34 0.00 2.74 2.95 0.00 0.00 7.09 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 0.00 222 G 7.61 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 0.00 0.00 0.00 0.00 223 E 8.90 4.42 0.00 1.85 1.68 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 2.17 2.24 0.00 224 P 0.00 4.07 0.00 2.08 2.08 0.00 3.73 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 2.02 2.11 0.00 225 I 8.52 3.08 1.87 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.74 0.71 0.00 0.00 226 D 6.73 3.92 0.00 2.70 2.66 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 0.00 227 G 7.21 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 K 9.37 5.11 0.00 1.78 1.75 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.71 0.00 0.00 2.21 0.00 0.00 0.00 0.00 1.27 1.17 7.81 229 L 9.57 4.92 0.00 1.65 1.71 1.18 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 230 R 8.56 5.04 0.00 1.85 1.89 0.00 3.29 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 231 F 8.63 5.02 0.00 3.30 3.06 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 0.00 232 T 8.25 4.91 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 1.18 0.00 0.00 233 V 9.17 4.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.92 0.00 0.00 234 R 8.72 4.58 0.00 1.84 2.04 0.00 3.37 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 235 N 7.60 4.15 0.00 2.72 2.46 0.00 0.00 6.76 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 0.00 236 V 8.51 4.25 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 0.84 0.00 0.00 0.88 0.00 0.00 237 H 9.19 4.59 0.00 3.25 3.21 0.00 5.66 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 T 7.89 3.98 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 0.65 0.00 0.00 239 T 8.75 3.96 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 1.20 0.00 0.00 240 G 8.16 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 0.00 241 R 7.40 4.59 0.00 1.85 1.96 0.00 3.45 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 242 V 8.16 3.50 2.17 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 0.97 0.00 0.00 1.01 0.00 0.00 243 V 8.48 3.96 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.00 0.00 0.00 244 S 8.70 4.95 0.00 3.95 3.77 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 0.00 245 V 9.22 4.53 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 1.14 0.00 0.00 1.11 0.00 0.00 246 D 9.69 5.10 0.00 2.85 2.66 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 0.00 247 G 8.77 4.56 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 0.00 248 T 8.65 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 1.29 0.00 0.00 249 L 8.30 4.58 0.00 1.43 1.29 1.07 0.81 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 0.00 250 I 7.46 3.80 1.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.66 0.86 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.