NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9751 8.1976 109.7375 44.8847 0.0000 175.4889 0 S 3.9437 8.0237 114.7040 59.2662 63.0044 172.0340 1 M 4.5161 7.3982 116.6816 54.4425 34.5582 175.4648 2 D 4.5803 8.2645 119.0036 52.2852 39.8377 176.2166 3 K 3.8717 8.4417 128.1386 58.7387 32.8455 178.2700 4 N 4.2452 8.2314 117.0596 56.3257 39.0952 176.4496 5 E 3.9687 8.3173 120.1283 59.1227 29.5030 178.9118 6 L 3.9434 7.6256 118.7878 57.7870 41.5239 179.5316 7 V 3.5644 7.2639 117.8051 65.9104 31.3233 178.2401 8 Q 3.9821 7.9858 117.9236 58.9415 28.6682 178.5011 9 K 3.8673 8.5784 119.5945 59.5807 31.6973 179.2049 10 A 3.9854 8.3481 121.1735 54.8366 18.1152 179.5101 11 K 4.0388 7.6978 116.5002 58.5189 32.2114 178.9282 12 L 4.0358 8.0136 120.3915 57.3086 41.9622 178.5352 13 A 3.9417 7.9635 121.0859 54.5269 18.3068 179.1700 14 E 3.4548 7.7209 117.5653 59.4544 29.5358 178.9703 15 Q 3.9578 7.4889 116.3509 58.9176 28.9193 178.2110 16 A 4.1712 7.4017 117.8286 51.4217 18.8227 176.7687 17 E 3.3087 7.9593 116.5763 57.9818 27.9223 176.3180 18 R 4.4949 7.5147 117.3287 54.1991 30.1722 176.5989 19 Y 4.0272 7.8672 119.6962 60.7370 38.3473 177.3221 20 D 4.3195 8.1826 119.5878 57.4204 40.9636 178.3954 21 D 4.2812 7.9541 118.8020 57.5687 40.8125 178.1735 22 M 3.9036 8.1972 118.8181 58.6532 32.0653 178.1685 23 A 3.5222 8.5741 121.1447 54.7376 18.4380 179.3051 24 A 3.8651 7.6844 119.0060 55.7474 18.3376 179.7220 25 C 4.0701 7.9861 115.0317 62.9827 28.1485 175.8275 26 M 4.0938 7.6763 119.5527 57.5610 31.8267 178.2512 27 K 3.9545 8.1447 120.5933 59.4974 32.1930 178.6705 28 S 4.1603 7.7767 112.3007 61.3056 62.5538 176.0705 29 V 3.6892 7.4395 120.9356 66.2878 31.3182 178.1079 30 T 3.8114 7.8078 115.4423 66.6140 68.1085 175.9139 31 E 3.2168 7.5031 117.1787 57.4579 29.4164 178.5576 32 Q 4.1728 7.7317 118.7344 57.0720 28.8540 175.6679 33 G 4.3619 8.3158 109.5968 45.9714 0.0000 174.2819 34 A 4.1027 7.7340 120.7686 51.8495 18.8606 176.3528 35 E 4.2847 8.4014 120.0455 55.3333 30.5415 176.4527 36 L 4.3797 8.4188 126.0220 54.4283 42.4699 177.9275 37 S 4.4501 9.0033 119.2908 57.8225 65.1324 174.9809 38 N 4.2857 8.6388 119.2419 56.4412 38.0511 177.2419 39 E 3.8647 8.0318 120.0110 59.4807 29.9678 178.4298 40 E 3.9469 7.9485 118.6326 59.5687 29.5141 179.5120 41 R 4.0284 8.5860 119.0686 59.1526 29.9724 178.2218 42 N 4.3063 7.9365 116.7069 56.7956 39.0496 176.6348 43 L 3.8023 8.1181 120.6222 58.1495 41.6530 179.4879 44 L 3.9774 8.0854 119.8741 58.2052 42.2149 178.5999 45 S 4.3177 8.3582 113.0560 61.6673 62.4221 176.5837 46 V 3.6185 8.8496 121.4352 66.0029 31.3869 177.7368 47 A 4.1829 8.2568 120.6179 55.7125 18.1677 179.2987 48 Y 4.2930 8.2915 115.2884 61.0116 38.1044 178.2921 49 K 4.1261 8.5256 120.5408 59.0619 32.1314 178.4986 50 N 4.1361 8.0711 117.5490 56.2422 38.2961 177.1847 51 V 3.6342 7.8055 119.9428 66.0751 31.7516 178.4899 52 V 3.5686 8.4151 119.1047 64.0901 31.3209 178.5432 53 G 3.4397 7.8836 106.3068 47.7783 0.0000 175.4052 54 A 4.0146 7.6424 123.9016 54.9186 18.3028 180.0205 55 R 3.9231 7.5683 116.1594 59.3851 30.1905 179.4678 56 R 3.9581 8.0969 118.0434 59.1256 29.9877 179.1278 57 S 4.1139 8.1090 112.9544 61.6524 62.4860 176.4575 58 S 4.1514 8.2377 117.8785 61.0338 62.4693 176.4778 59 W 3.9464 8.5476 131.6049 60.5017 30.4914 177.9533 60 R 3.7633 8.3522 117.8582 59.3705 29.4729 178.7786 61 V 3.5187 7.6223 117.7358 66.5347 31.0731 178.3718 62 V 3.5597 7.7498 117.4512 65.8043 30.8798 177.8952 63 S 3.8573 8.0883 113.0268 60.6458 62.0321 175.9051 64 S 3.9011 7.9132 116.4769 61.1432 62.1270 175.6332 65 I 3.7894 7.2938 120.3818 62.9293 37.9422 177.2580 66 E 4.0232 7.7116 119.9354 59.8614 29.3361 178.5205 67 Q 3.9291 7.4494 117.6140 58.9523 28.7345 178.6684 68 K 4.0722 7.6605 116.6040 59.8679 32.6011 177.4292 69 T 4.5072 7.5627 110.4149 60.5955 70.0656 175.2203 *72 A 4.0655 8.2447 119.5114 52.5653 18.5506 177.2353 73 E 3.9804 8.2173 120.3113 59.5356 30.2212 179.6396 74 K 3.4082 8.0505 119.4052 59.2812 32.3673 178.4843 75 K 4.1437 7.9703 118.1127 58.0124 32.7317 177.3953 76 Q 4.3304 7.7262 118.4824 58.0828 29.5375 177.3609 77 Q 4.0915 9.0390 120.2828 58.6987 28.7364 178.3655 78 M 3.9665 7.7116 118.0855 58.6829 32.2980 178.1468 79 A 4.1822 7.8405 120.3562 54.6687 18.3568 179.3900 80 R 4.2772 8.4694 119.0769 59.4168 30.3794 178.7533 81 E 4.0441 8.2361 118.2274 59.4722 29.4811 178.7708 82 Y 4.4575 7.7616 118.9628 60.4560 38.8616 177.4127 83 R 3.9073 8.0117 118.9651 58.5382 30.2186 177.8719 84 E 4.2575 7.8550 117.9554 58.4866 29.6676 178.7019 85 K 4.0173 7.8935 119.6426 59.4485 32.2613 179.0766 86 I 3.6962 7.5761 119.6656 64.1944 37.0156 177.6732 87 E 3.9822 8.3258 120.5562 59.9085 29.4216 179.2252 88 T 3.9957 7.9629 109.3471 64.5712 68.7125 176.1952 89 E 3.9327 7.9863 121.8378 59.0781 29.7606 178.6432 90 L 3.9785 8.5626 120.7752 58.0994 42.3019 178.8967 91 R 3.9438 8.3754 119.0885 59.1572 29.9280 178.3960 92 D 4.3046 8.2494 119.0068 57.3175 40.8845 178.4184 93 I 3.7301 7.4159 120.2223 64.8564 37.1528 178.1443 94 C 4.1390 7.9586 116.9117 63.1208 27.9596 176.1258 95 N 4.2631 8.0396 117.5575 55.9915 37.9657 177.4386 96 D 4.1705 7.9730 120.5392 57.1744 40.9292 178.8311 97 V 2.8944 7.1192 118.5304 65.8377 31.4167 177.9154 98 L 3.6452 7.9868 118.9282 57.7465 41.2360 179.6922 99 S 4.0164 7.8393 112.9837 61.2787 62.3667 175.9548 100 L 3.9596 8.1268 123.2662 57.7513 41.5610 178.9625 101 L 3.8877 7.7889 119.2034 57.7705 41.6459 179.1364 102 E 3.9756 8.0607 117.0240 58.7626 29.4256 178.8678 103 K 4.1377 8.1716 117.6644 57.6932 32.7099 176.1662 104 F 4.5761 8.0328 113.3521 58.5557 41.5974 176.3265 105 L 3.3791 7.8644 119.5151 58.4291 42.1299 179.8398 106 I 3.7053 8.1649 121.3260 64.4258 37.3813 176.4524 107 P 4.3715 0.0000 0.0000 64.4853 31.5502 176.3202 108 N 4.8583 7.5464 115.8587 50.3311 38.3764 172.3755 109 A 4.6039 7.5805 120.2793 51.2661 21.3044 176.6940 110 S 4.2222 8.7398 120.3719 61.2413 63.7082 174.6402 111 Q 3.8379 8.1036 117.4160 56.4747 29.1408 178.3703 112 A 4.0268 8.9122 125.4612 55.1923 18.2385 178.7378 113 E 4.1384 8.1566 114.7411 58.6352 29.8583 179.0817 114 S 4.1203 8.5740 117.1574 61.1330 63.0547 176.4826 115 K 4.4754 8.1195 120.5981 58.6726 31.8003 178.8868 116 V 3.8917 7.7852 118.7368 63.0521 32.1545 178.1123 117 F 3.9815 7.8776 121.6190 61.5228 39.2528 176.7416 118 Y 4.4240 8.6093 116.7457 61.1897 37.7142 178.5673 119 L 3.9752 7.7805 120.8323 57.5764 42.0866 179.0457 120 K 3.9623 7.9989 119.9880 59.6388 32.1837 178.4906 121 M 4.0047 7.7851 118.9937 58.4593 31.8058 178.4764 122 K 3.8764 8.3006 119.8811 59.6969 32.0513 178.9705 123 G 2.3430 7.3570 104.6109 47.3102 0.0000 175.1297 124 D 4.5050 7.8124 122.8892 56.9126 40.9121 178.4819 125 Y 3.7966 8.3101 117.3396 61.2061 37.7421 178.5266 126 Y 4.1159 7.5802 117.6123 60.6351 37.7992 178.2229 127 R 3.9273 7.5603 120.0994 59.5078 30.0420 178.1361 128 Y 4.5038 7.1575 117.4646 60.3210 38.0281 177.7091 129 L 3.9959 8.0815 120.6113 57.1980 41.9483 178.3304 130 A 4.3267 7.3947 119.9080 54.2223 19.3515 178.9538 131 E 3.9747 8.1499 117.4427 59.8602 29.4321 179.8689 132 V 3.1761 6.9399 110.1505 61.9434 32.0270 176.9048 133 A 4.0371 6.7471 120.4993 52.3554 18.7254 176.4496 134 A 4.7116 8.0753 123.1683 51.3539 23.0378 177.4137 135 G 3.8855 8.6227 105.4058 45.3056 0.0000 173.4236 136 D 4.4681 8.7508 117.6638 57.4502 41.2376 178.2104 137 D 4.4909 8.2022 118.4066 56.3021 38.9030 177.4578 138 K 3.8022 8.1963 121.2348 59.2236 31.6093 177.8253 139 K 4.0306 8.1234 119.4286 59.8975 32.2237 179.0444 140 G 3.5656 7.9103 105.8237 47.5792 0.0000 175.7481 141 I 3.7516 8.1336 122.2797 63.6178 37.0923 178.5386 142 V 3.7344 7.6946 118.8721 65.6642 31.3652 177.4400 143 D 4.3107 7.6787 117.7582 57.2817 41.2599 178.1439 144 Q 3.6126 7.4540 118.6098 58.5912 28.3960 179.0707 145 S 3.4660 7.2476 113.5359 60.9945 62.4720 175.4707 146 Q 3.3614 7.0746 122.1987 59.4042 28.6835 178.9269 147 Q 3.9382 7.9662 118.2554 58.9905 28.3936 178.7713 148 A 3.8719 7.4763 121.1588 55.2355 18.4123 179.3926 149 Y 3.9684 7.7917 115.5319 61.0464 37.6747 178.3167 150 Q 4.4478 8.3406 120.8686 59.4911 28.6643 177.9408 151 E 3.9344 8.9965 120.1919 58.8033 29.4982 178.3051 152 A 4.5112 7.6140 119.2473 54.0993 19.3319 178.9769 153 F 4.4207 8.9657 119.7197 61.8901 39.3808 177.2948 154 E 3.5843 8.4654 116.7758 59.3516 29.2342 179.2509 155 I 3.9151 7.0382 120.0755 64.2213 37.4529 178.2027 156 S 4.3547 8.2576 115.2564 60.9729 62.7806 176.0690 157 K 4.3178 8.0735 119.7142 56.2350 31.4579 177.7104 158 K 4.4916 7.3650 112.9932 56.6497 34.0432 176.0067 159 E 4.7809 7.8612 115.7929 57.0606 35.2905 175.1865 160 M 4.8087 8.1317 118.4351 52.8169 36.0791 175.0602 161 Q 4.0907 8.6227 120.8964 55.7682 29.4637 175.6488 162 P 4.4139 0.0000 0.0000 64.5768 31.5675 177.4528 163 T 4.4001 7.5912 107.3399 62.3681 70.0693 175.1651 164 H 4.2385 8.8590 124.5095 55.2526 30.8704 173.1203 165 P 4.2012 0.0000 0.0000 66.4602 30.8295 178.1775 166 I 3.7505 7.7985 119.7975 64.1001 37.0885 178.2194 167 R 4.0281 8.1796 118.5053 59.1585 29.9039 178.4073 168 L 4.1680 8.0967 119.3017 57.7477 41.6862 179.6392 169 G 3.6263 8.8906 106.2234 47.6189 0.0000 175.4186 170 L 4.0194 8.3524 122.7622 57.9519 42.1178 179.0305 171 A 3.9924 8.2055 120.7338 55.0390 18.3201 179.0585 172 L 3.7999 8.2387 119.2434 58.6154 41.9639 178.9753 173 N 4.3292 8.4983 115.9542 56.0940 38.7701 177.0121 174 F 3.5492 8.0679 122.2585 61.1746 39.5283 177.0862 175 S 4.3638 8.5887 114.3204 61.9719 62.5696 176.7438 176 V 4.1230 8.1023 121.6311 65.4961 31.2049 177.8019 177 F 4.3177 8.4593 120.8064 61.5903 39.1864 176.7710 178 Y 3.8117 8.0728 115.8724 61.5331 37.5034 177.0877 179 Y 3.6687 8.0825 119.8519 60.3629 38.8458 177.5633 180 E 4.0845 8.5429 120.5447 60.0452 30.0349 178.7074 181 I 3.7687 7.5491 118.5411 64.0910 37.6577 177.2910 182 L 3.9962 7.8370 122.2583 59.6113 42.2043 178.1375 183 N 3.8067 6.8012 111.2497 54.7405 36.2389 175.5534 184 S 4.5517 7.6868 115.4641 55.3435 61.7327 172.3271 185 P 4.0461 0.0000 0.0000 64.7412 30.8466 178.3553 186 E 4.0412 7.2434 119.9941 58.0301 28.7345 178.2007 187 K 4.0882 8.1063 121.4195 58.5788 32.0749 178.7130 188 A 4.1732 7.6171 120.9695 55.8832 18.1846 179.3687 189 C 4.5238 8.1239 114.0798 62.1949 27.8525 175.9096 190 S 4.0445 7.5429 116.0333 62.3030 62.3770 176.5658 191 L 4.0147 7.6949 121.5445 57.4666 42.1059 178.3658 192 A 3.9476 7.3922 121.3929 55.3058 18.1798 179.4377 193 K 4.0579 8.5748 116.2800 60.1654 32.2065 179.4791 194 T 4.1676 7.6971 114.3801 67.2344 68.2108 176.2362 195 A 4.0843 8.5777 122.4776 54.7707 18.3904 179.5990 196 F 4.3533 8.0632 119.1290 61.7497 39.6882 177.3135 197 D 3.8918 8.8996 119.6692 57.3164 40.3587 178.7605 198 E 3.9875 8.2579 118.1125 59.1226 28.9952 178.8899 199 A 4.3478 7.5259 122.1269 54.3018 18.4154 179.7455 200 I 3.7823 7.6069 118.3459 64.1408 36.8519 178.0894 201 A 3.9867 7.3822 120.3892 54.9850 18.4277 178.2966 202 E 4.4717 7.3470 114.8995 56.0486 29.8263 177.7124 203 L 4.0131 7.8791 124.2731 58.4066 41.9864 177.9542 204 D 4.6951 8.0483 113.9007 54.2744 40.8173 176.0141 205 T 3.7370 8.7287 118.4769 64.2725 66.7223 176.8591 206 L 2.9770 8.7918 125.2312 56.4698 41.8771 173.4467 *209 E 4.3438 7.7826 120.6708 56.2357 31.8412 176.4453 210 S 4.0778 8.6337 113.6738 62.5110 63.0058 178.7385 211 Y 3.6153 6.6007 115.8964 57.5106 41.3425 176.5005 212 K 3.1617 7.0288 116.2275 59.2767 32.3549 178.2710 213 D 4.3777 8.0423 118.6914 58.0874 41.1984 179.4681 214 S 4.1256 7.9185 115.0099 61.8456 62.8422 176.9061 215 T 3.8455 7.7241 112.1282 64.7929 68.5221 176.0301 216 L 3.8800 8.0762 122.7408 57.6155 41.0568 179.7821 217 I 3.6105 7.7203 119.0367 64.8458 37.1581 178.2548 218 M 4.4574 7.9948 119.4573 58.5617 31.3438 178.7913 219 Q 3.7613 8.2482 119.6014 59.1894 29.2773 178.2142 220 L 4.6597 7.5118 121.1911 57.2592 41.6482 179.3569 221 L 3.7027 8.9058 119.2127 57.8550 41.4915 179.7335 222 R 3.4584 7.8430 118.5800 59.1934 30.0862 177.9413 223 D 4.2420 8.8786 119.4665 57.4966 40.5282 178.6624 224 N 3.6517 7.8088 116.0904 56.0181 38.5191 176.7422 225 L 3.9289 6.6716 118.4501 58.9839 42.0466 179.2472 226 T 3.8508 8.1162 115.3683 67.0120 68.0169 175.6865 227 L 4.4228 7.8839 118.2287 55.5364 41.6283 178.1158 228 W 5.1856 7.7882 118.5908 55.5148 31.0355 177.1948 229 T 4.3522 7.7652 119.0511 63.6116 69.8450 174.7472 *230 S 4.2715 8.3404 121.4249 58.0723 63.0141 172.7487 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 -1 G 8.20 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 S 8.02 3.94 0.00 4.07 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 0.00 1 M 7.40 4.52 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 2 D 8.26 4.58 0.00 2.76 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 3 K 8.44 3.87 0.00 1.82 1.81 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.44 7.81 4 N 8.23 4.25 0.00 2.82 2.93 0.00 0.00 6.64 7.51 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 5 E 8.32 3.97 0.00 2.41 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 2.29 2.34 0.00 6 L 7.63 3.94 0.00 1.88 1.67 0.89 0.64 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 7 V 7.26 3.56 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 1.03 0.00 0.00 1.05 0.00 0.00 8 Q 7.99 3.98 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.54 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 9 K 8.58 3.87 0.00 1.85 1.84 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.74 7.81 10 A 8.35 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.70 4.04 0.00 1.89 1.84 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.63 7.81 12 L 8.01 4.04 0.00 1.73 1.76 0.89 0.90 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 13 A 7.96 3.94 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 14 E 7.72 3.45 0.00 1.98 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 0.00 2.29 2.36 0.00 15 Q 7.49 3.96 0.00 1.96 2.12 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 2.38 2.56 0.00 16 A 7.40 4.17 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 17 E 7.96 3.31 0.00 2.04 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 0.00 2.37 2.24 0.00 18 R 7.51 4.49 0.00 1.67 1.87 0.00 3.09 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 19 Y 7.87 4.03 0.00 3.00 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 20 D 8.18 4.32 0.00 2.78 2.73 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 21 D 7.95 4.28 0.00 2.85 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 22 M 8.20 3.90 0.00 2.14 1.92 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.55 0.00 23 A 8.57 3.52 0.60 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 0.00 0.00 24 A 7.68 3.87 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 C 7.99 4.07 0.00 3.10 3.10 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 0.00 0.00 0.00 0.00 26 M 7.68 4.09 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 27 K 8.14 3.95 0.00 2.02 1.97 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.42 7.81 28 S 7.78 4.16 0.00 4.01 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 29 V 7.44 3.69 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.97 0.00 0.00 30 T 7.81 3.81 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 0.97 0.00 0.00 31 E 7.50 3.22 0.00 1.91 1.82 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 1.64 2.11 0.00 32 Q 7.73 4.17 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.61 0.00 0.00 0.00 0.00 0.00 2.66 2.50 0.00 33 G 8.32 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.73 4.10 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 35 E 8.40 4.28 0.00 1.98 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 2.36 2.56 0.00 36 L 8.42 4.38 0.00 1.86 1.69 1.03 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 37 S 9.00 4.45 0.00 4.05 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 38 N 8.64 4.29 0.00 2.72 2.86 0.00 0.00 6.44 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 39 E 8.03 3.86 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 40 E 7.95 3.95 0.00 2.02 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 2.34 2.33 0.00 41 R 8.59 4.03 0.00 2.00 1.90 0.00 2.21 0.00 0.00 2.75 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.83 0.00 42 N 7.94 4.31 0.00 2.87 2.95 0.00 0.00 7.12 8.01 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 43 L 8.12 3.80 0.00 1.97 1.76 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.09 3.98 0.00 1.97 2.00 1.12 1.04 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 45 S 8.36 4.32 0.00 4.41 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 54 A 7.64 4.01 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 55 R 7.57 3.92 0.00 1.88 1.99 0.00 3.19 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 56 R 8.10 3.96 0.00 1.70 1.86 0.00 2.21 0.00 0.00 2.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.55 0.00 57 S 8.11 4.11 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 58 S 8.24 4.15 0.00 4.03 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 59 W 8.55 3.95 0.00 3.49 3.43 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 60 R 8.35 3.76 0.00 2.14 2.03 0.00 3.32 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.14 0.00 61 V 7.62 3.52 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 0.98 0.00 0.00 1.00 0.00 0.00 62 V 7.75 3.56 1.84 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 0.93 0.00 0.00 0.90 0.00 0.00 63 S 8.09 3.86 0.00 2.72 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 64 S 7.91 3.90 0.00 3.91 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 65 I 7.29 3.79 1.84 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 1.39 0.91 0.98 0.00 0.00 66 E 7.71 4.02 0.00 2.10 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 2.25 2.31 0.00 67 Q 7.45 3.93 0.00 1.94 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.61 0.00 68 K 7.66 4.07 0.00 1.74 1.86 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.55 7.81 69 T 7.56 4.51 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 1.28 0.00 0.00 *72 A 8.24 4.07 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 73 E 8.22 3.98 0.00 2.09 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 2.40 2.35 0.00 74 K 8.05 3.41 0.00 1.78 1.81 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.44 7.81 75 K 7.97 4.14 0.00 1.75 1.94 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.41 7.81 76 Q 7.73 4.33 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 77 Q 9.04 4.09 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 78 M 7.71 3.97 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.65 0.00 79 A 7.84 4.18 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.47 4.28 0.00 1.91 2.09 0.00 3.27 0.00 0.00 3.29 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 81 E 8.24 4.04 0.00 2.12 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 0.00 2.36 2.65 0.00 82 Y 7.76 4.46 0.00 3.20 3.07 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 83 R 8.01 3.91 0.00 1.70 2.01 0.00 3.50 0.00 0.00 3.49 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.26 0.00 84 E 7.86 4.26 0.00 2.24 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 2.60 0.00 85 K 7.89 4.02 0.00 1.96 2.07 0.00 1.81 0.00 0.00 1.95 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.55 7.81 86 I 7.58 3.70 1.85 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.33 0.97 0.00 0.00 87 E 8.33 3.98 0.00 2.56 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 2.36 2.35 0.00 88 T 7.96 4.00 4.26 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 0.00 0.00 0.00 1.29 0.00 0.00 89 E 7.99 3.93 0.00 2.33 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 0.00 2.33 2.35 0.00 90 L 8.56 3.98 0.00 1.84 1.90 0.72 0.96 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 91 R 8.38 3.94 0.00 2.08 2.00 0.00 3.15 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 92 D 8.25 4.30 0.00 2.96 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 93 I 7.42 3.73 2.05 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.05 1.12 0.00 0.00 94 C 7.96 4.14 0.00 3.14 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 95 N 8.04 4.26 0.00 2.88 2.79 0.00 0.00 7.06 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 96 D 7.97 4.17 0.00 2.70 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.12 2.89 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 0.00 0.00 -0.01 0.00 0.00 -0.48 0.00 0.00 98 L 7.99 3.65 0.00 1.65 1.36 0.57 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.84 4.02 0.00 3.90 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 0.00 100 L 8.13 3.96 0.00 1.86 1.58 0.58 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.79 3.89 0.00 1.78 1.61 0.79 0.80 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 0.00 102 E 8.06 3.98 0.00 1.92 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 2.34 2.48 0.00 103 K 8.17 4.14 0.00 1.96 1.48 0.00 1.54 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.60 7.81 104 F 8.03 4.58 0.00 2.98 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 0.00 105 L 7.86 3.38 0.00 1.48 0.53 0.73 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.16 3.71 1.93 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 1.40 0.55 0.95 0.00 0.00 107 P 0.00 4.37 0.00 1.97 2.06 0.00 3.62 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 2.12 2.03 0.00 108 N 7.55 4.86 0.00 2.62 2.82 0.00 0.00 6.90 7.95 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 0.00 109 A 7.58 4.60 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.74 4.22 0.00 3.90 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 8.10 3.84 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.86 0.00 0.00 0.00 0.00 0.00 2.48 2.34 0.00 112 A 8.91 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 0.00 113 E 8.16 4.14 0.00 2.27 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 0.00 2.34 2.44 0.00 114 S 8.57 4.12 0.00 4.10 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 0.00 115 K 8.12 4.48 0.00 2.03 1.94 0.00 1.69 0.00 0.00 1.91 0.00 0.00 3.30 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.68 7.81 116 V 7.79 3.89 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 0.98 0.00 0.00 1.08 0.00 0.00 117 F 7.88 3.98 0.00 3.12 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 8.61 4.42 0.00 3.20 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 0.00 119 L 7.78 3.98 0.00 2.20 1.67 0.94 0.41 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 0.00 120 K 8.00 3.96 0.00 1.98 1.90 0.00 1.71 0.00 0.00 1.52 0.00 0.00 3.17 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.60 7.81 121 M 7.79 4.00 0.00 2.22 2.35 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 2.39 2.57 0.00 122 K 8.30 3.88 0.00 1.77 1.93 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.54 1.50 7.81 123 G 7.36 2.34 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 0.00 124 D 7.81 4.51 0.00 2.63 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 0.00 0.00 0.00 0.00 125 Y 8.31 3.80 0.00 2.81 2.89 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 0.00 126 Y 7.58 4.12 0.00 2.85 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 7.56 3.93 0.00 1.88 1.76 0.00 3.43 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 128 Y 7.16 4.50 0.00 3.05 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 0.00 129 L 8.08 4.00 0.00 2.05 1.89 0.91 1.02 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 0.00 130 A 7.39 4.33 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.15 3.97 0.00 1.96 1.74 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 2.36 2.68 0.00 132 V 6.94 3.18 1.65 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 -0.35 0.00 0.00 0.80 0.00 0.00 133 A 6.75 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 0.00 134 A 8.08 4.71 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 0.00 135 G 8.62 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 0.00 0.00 0.00 136 D 8.75 4.47 0.00 2.73 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 0.00 137 D 8.20 4.49 0.00 2.95 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 0.00 138 K 8.20 3.80 0.00 2.03 1.75 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.45 1.62 7.81 139 K 8.12 4.03 0.00 1.85 1.83 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.56 7.81 140 G 7.91 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 0.00 0.00 0.00 141 I 8.13 3.75 1.89 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 1.46 1.18 1.10 0.00 0.00 142 V 7.69 3.73 2.28 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 1.17 0.00 0.00 1.01 0.00 0.00 143 D 7.68 4.31 0.00 2.97 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 Q 7.45 3.61 0.00 1.15 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.61 0.00 0.00 0.00 0.00 0.00 2.13 1.95 0.00 145 S 7.25 3.47 0.00 3.58 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 0.00 146 Q 7.07 3.36 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.58 0.00 0.00 0.00 0.00 0.00 2.55 2.75 0.00 147 Q 7.97 3.94 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 148 A 7.48 3.87 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 7.79 3.97 0.00 1.98 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 0.00 150 Q 8.34 4.45 0.00 2.52 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.77 0.00 0.00 0.00 0.00 0.00 2.55 2.70 0.00 151 E 9.00 3.93 0.00 2.17 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 0.00 2.34 2.36 0.00 152 A 7.61 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 153 F 8.97 4.42 0.00 3.56 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 E 8.47 3.58 0.00 2.12 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 2.37 2.50 0.00 155 I 7.04 3.92 2.06 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 1.60 0.70 0.94 0.00 0.00 156 S 8.26 4.35 0.00 4.10 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 0.00 157 K 8.07 4.32 0.00 0.80 1.39 0.00 1.70 0.00 0.00 1.20 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.23 1.08 7.81 158 K 7.37 4.49 0.00 1.75 1.70 0.00 1.88 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.44 7.81 159 E 7.86 4.78 0.00 2.09 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 2.20 2.30 0.00 160 M 8.13 4.81 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.38 0.00 161 Q 8.62 4.09 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 162 P 0.00 4.41 0.00 2.34 2.18 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 163 T 7.59 4.40 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 1.27 0.00 0.00 164 H 8.86 4.24 0.00 3.31 3.33 0.00 5.80 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 0.00 165 P 0.00 4.20 0.00 2.27 2.27 0.00 3.35 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.97 0.00 166 I 7.80 3.75 2.12 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.72 1.07 0.00 0.00 167 R 8.18 4.03 0.00 1.97 2.16 0.00 3.44 0.00 0.00 3.40 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.86 0.00 168 L 8.10 4.17 0.00 2.02 1.74 1.03 0.90 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 0.00 169 G 8.89 3.63 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 0.00 0.00 0.00 170 L 8.35 4.02 0.00 1.94 2.03 1.03 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 171 A 8.21 3.99 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 L 8.24 3.80 0.00 1.80 1.78 0.77 0.49 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 0.00 173 N 8.50 4.33 0.00 2.57 2.80 0.00 0.00 7.12 7.48 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 0.00 174 F 8.07 3.55 0.00 2.98 2.80 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 0.00 175 S 8.59 4.36 0.00 4.50 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 0.00 176 V 8.10 4.12 2.37 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 1.19 0.00 0.00 1.12 0.00 0.00 177 F 8.46 4.32 0.00 3.23 3.26 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 0.00 0.00 0.00 0.00 178 Y 8.07 3.81 0.00 3.27 2.82 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 0.00 179 Y 8.08 3.67 0.00 2.33 2.80 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 0.00 180 E 8.54 4.08 0.00 2.29 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 2.49 2.63 0.00 181 I 7.55 3.77 1.68 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 1.42 1.05 0.99 0.00 0.00 182 L 7.84 4.00 0.00 0.78 1.45 0.89 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 183 N 6.80 3.81 0.00 2.71 3.02 0.00 0.00 6.90 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 0.00 184 S 7.69 4.55 0.00 3.88 3.72 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 0.00 185 P 0.00 4.05 0.00 2.06 1.67 0.00 3.70 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.78 0.00 186 E 7.24 4.04 0.00 1.96 1.81 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 2.33 2.39 0.00 187 K 8.11 4.09 0.00 0.92 1.05 0.00 1.84 0.00 0.00 1.44 0.00 0.00 2.45 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.14 7.81 188 A 7.62 4.17 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 0.00 189 C 8.12 4.52 0.00 3.06 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 0.00 190 S 7.54 4.04 0.00 3.89 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 0.00 191 L 7.69 4.01 0.00 1.40 1.41 0.91 -0.31 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 0.00 192 A 7.39 3.95 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 0.00 193 K 8.57 4.06 0.00 1.86 2.14 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.67 7.81 194 T 7.70 4.17 4.44 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 1.34 0.00 0.00 195 A 8.58 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 196 F 8.06 4.35 0.00 3.14 3.26 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 0.00 0.00 0.00 0.00 197 D 8.90 3.89 0.00 2.57 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 E 8.26 3.99 0.00 2.03 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 2.35 2.48 0.00 199 A 7.53 4.35 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 200 I 7.61 3.78 1.74 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.17 0.78 0.00 0.00 201 A 7.38 3.99 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 0.00 202 E 7.35 4.47 0.00 2.28 1.96 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 2.26 2.27 0.00 203 L 7.88 4.01 0.00 1.78 1.70 0.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 204 D 8.05 4.70 0.00 2.81 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 0.00 205 T 8.73 3.74 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 1.23 0.00 0.00 206 L 8.79 2.98 0.00 1.83 1.95 1.09 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 *209 E 7.78 4.34 0.00 1.99 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 2.23 2.37 0.00 210 S 8.63 4.08 0.00 3.98 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 0.00 211 Y 6.60 3.62 0.00 3.04 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 K 7.03 3.16 0.00 1.67 1.55 0.00 1.57 0.00 0.00 1.31 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.40 7.81 213 D 8.04 4.38 0.00 2.64 2.73 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 0.00 214 S 7.92 4.13 0.00 4.12 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 0.00 215 T 7.72 3.85 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 1.29 0.00 0.00 216 L 8.08 3.88 0.00 1.78 1.73 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 217 I 7.72 3.61 2.00 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 1.51 1.00 0.90 0.00 0.00 218 M 7.99 4.46 0.00 2.37 2.35 0.00 0.00 0.00 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.80 0.00 219 Q 8.25 3.76 0.00 2.35 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 220 L 7.51 4.66 0.00 1.84 1.59 0.87 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 221 L 8.91 3.70 0.00 1.64 1.45 0.99 0.70 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 0.00 222 R 7.84 3.46 0.00 1.13 1.77 0.00 2.96 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.38 0.00 223 D 8.88 4.24 0.00 2.67 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 N 7.81 3.65 0.00 2.21 1.42 0.00 0.00 7.05 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 0.00 225 L 6.67 3.93 0.00 1.55 1.65 0.71 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 226 T 8.12 3.85 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 1.18 0.00 0.00 227 L 7.88 4.42 0.00 1.59 1.75 0.94 0.91 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 0.00 228 W 7.79 5.19 0.00 3.20 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 0.00 229 T 7.77 4.35 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 1.25 0.00 0.00 *230 S 8.34 4.27 0.00 3.60 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 * Residues marked with a * may have inaccurate shift predictions.