NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 H 4.6139 8.4449 120.3844 56.3599 30.7262 172.1685 4 H 4.6182 8.0683 122.4227 52.4656 32.7295 171.5741 5 W 4.6587 8.9547 117.6673 57.4010 29.7417 176.2107 6 G 3.6684 8.7752 107.4545 46.2404 0.0000 174.5409 7 Y 4.7409 8.3291 123.6189 57.6412 39.0465 175.8829 8 G 3.9135 8.0748 111.1835 44.1547 0.0000 175.1388 9 K 3.8931 8.4151 119.2825 58.7749 32.1914 177.1130 10 H 4.7630 7.9494 113.4882 55.8271 29.9439 174.7785 11 N 4.9923 7.8580 115.5089 51.5317 38.3492 174.6220 12 G 4.3387 7.7411 108.6783 43.1023 0.0000 172.6129 13 P 2.0000 0.0000 0.0000 64.9023 30.4805 178.4328 14 E 3.9202 7.7614 114.9085 58.6581 29.5569 177.8161 15 H 4.6877 8.3304 116.8754 56.5407 29.5596 176.6929 16 W 4.7525 7.8309 121.1419 60.3813 28.6416 177.8766 17 H 4.5302 8.4675 113.4845 58.5757 27.8626 177.3588 18 K 4.0457 7.7719 120.8870 58.8917 31.9238 178.0967 19 D 4.6117 7.9739 116.7534 53.9057 42.6313 176.6387 20 F 4.7273 8.1599 118.0650 54.0809 40.0070 173.0194 21 P 4.3305 0.0000 0.0000 65.4813 31.7528 178.3168 22 I 3.8745 7.9102 116.5978 62.5763 38.0498 177.0842 23 A 4.5777 8.2617 122.6562 55.0875 18.2607 178.2874 24 K 4.5195 7.8237 114.0839 56.1067 32.3955 177.0436 25 G 3.9295 8.1679 110.0381 45.5136 0.0000 173.7155 26 E 4.2954 8.6216 117.3470 57.5856 30.5425 177.0459 27 R 4.7898 8.4086 115.4207 54.9786 29.3783 174.8925 28 Q 4.5839 7.8556 115.9043 56.3045 30.3347 176.0909 29 S 4.7988 8.3276 115.9465 55.9583 66.6446 172.3509 30 P 4.4133 0.0000 0.0000 62.4180 33.4892 174.6823 31 V 4.6686 7.6383 111.0128 59.7938 36.5082 173.9212 32 D 4.8383 8.3413 121.4488 52.9491 42.3591 175.7275 33 I 3.9466 8.8810 127.5056 59.8967 38.4900 175.0512 34 D 4.8715 8.3416 128.8560 52.9189 40.5182 176.9506 35 T 3.7195 8.5086 118.6000 64.3993 68.7346 175.0281 36 H 4.6414 8.1972 117.2548 56.4404 29.1834 175.6361 37 T 4.3686 7.5893 114.7770 63.5219 69.9137 174.8297 38 A 4.3150 7.8047 123.2493 51.7416 19.3106 176.5487 39 K 4.5215 8.6665 123.1030 54.5899 34.4622 174.8806 40 Y 4.6003 8.7010 129.0957 57.7401 39.7645 174.1965 41 D 4.4829 8.2805 126.7447 51.6848 42.4801 174.7735 42 P 3.9719 0.0000 0.0000 64.8409 31.4849 177.8737 43 S 4.3511 8.2204 111.5086 58.8536 63.5480 174.4327 44 L 4.1382 7.5513 122.8926 54.7147 41.9138 177.0527 45 K 4.4655 8.4633 122.8064 55.0862 33.9970 174.6464 46 P 4.8555 0.0000 0.0000 62.4231 32.6152 176.1631 47 L 4.1547 8.5809 122.2870 54.8713 42.8282 176.7821 48 S 4.4275 8.9225 117.7218 56.7165 64.4441 172.9490 49 V 4.0290 8.1400 128.1503 61.3835 32.6455 175.2846 50 S 4.4900 8.6640 124.7937 56.4199 62.9405 173.2201 51 Y 4.8952 7.9922 120.8390 57.2675 38.5846 177.6804 52 D 4.4418 8.3383 121.6971 55.9024 39.5389 177.0857 53 Q 4.5258 7.9384 116.1718 55.1882 29.0994 175.2279 54 A 4.1021 7.7010 121.1647 53.0286 18.8662 178.4338 55 T 4.6989 8.5312 118.1492 61.4871 71.0292 173.5795 56 S 3.7893 8.4931 121.4113 58.1957 64.4928 174.1894 57 L 4.5227 8.8973 120.0655 56.1651 44.5855 176.3341 58 R 5.1159 7.5005 116.2257 55.2684 34.2149 172.9170 59 I 5.0381 8.5150 121.9729 58.9450 41.2380 173.9645 60 L 5.1407 8.8337 128.2275 54.1378 44.3153 174.7735 61 N 4.9820 9.0844 121.5790 52.7029 39.2141 173.9907 62 H 4.7775 8.6334 121.5845 55.2678 28.9786 174.6065 63 G 4.1552 9.1926 112.5698 46.5591 0.0000 175.2077 *64 H 4.9765 7.8036 112.8096 54.1163 30.1480 176.8527 65 A 4.4229 6.7455 117.9499 52.7789 22.2016 173.9828 66 F 5.3783 8.4254 111.7371 55.3615 40.4306 174.5101 67 N 5.0816 9.0967 119.3072 51.5600 41.5580 173.9926 68 V 4.2502 8.1204 123.8965 61.3962 32.7579 174.5530 69 E 4.8851 9.1373 128.7602 55.7329 31.0420 175.8885 70 F 5.1607 8.8835 120.9858 55.3786 42.8125 174.5941 71 D 4.6744 9.0290 121.7456 53.6826 41.4104 176.1363 72 D 5.1171 8.7543 128.2882 53.1687 39.9809 176.9764 73 S 4.6009 8.2756 114.3080 60.3990 63.7726 173.2187 74 Q 4.5764 7.4403 118.3877 54.9706 33.0528 174.7820 75 D 4.6561 8.2545 119.8388 53.8579 39.2330 176.7133 76 K 4.0409 7.8974 120.9547 58.2921 33.2875 177.5361 77 A 4.9836 7.8247 121.7746 50.3203 21.5147 175.2885 78 V 5.0439 8.8848 114.3135 60.1563 36.6886 174.6669 79 L 5.0839 8.9708 124.3227 53.4564 44.8453 175.5642 80 K 4.6928 8.5835 124.1128 55.9679 37.5648 176.3115 81 G 3.8774 8.7046 107.8055 46.2238 0.0000 173.5061 82 G 4.1751 7.6405 109.3313 46.5816 0.0000 173.1615 83 P 4.6180 0.0000 0.0000 62.6468 31.9155 176.2453 84 L 4.1975 7.4792 119.6839 54.4652 42.2729 176.1593 85 D 4.7110 8.7221 121.8247 55.8237 42.2199 174.8869 86 G 3.7143 8.7696 110.3338 44.3362 0.0000 171.0959 87 T 4.6715 8.2460 114.2319 61.9440 71.1323 173.4388 88 Y 4.8698 8.6626 123.5648 56.2051 40.9140 174.9550 89 R 4.6804 8.0761 123.9586 54.7264 31.9705 175.7429 90 L 4.1622 8.5859 126.7069 55.3422 42.1514 176.0006 91 I 4.6239 8.6360 126.3610 62.4026 40.7438 174.7981 92 Q 5.8468 7.8164 116.7381 56.3693 31.4621 173.0326 93 F 5.6053 8.1816 114.2095 55.8741 41.9842 172.9202 94 H 5.1540 8.7596 114.8026 55.0560 32.3834 171.5924 95 F 5.6078 8.6476 116.2925 56.1089 43.2023 174.3955 96 H 5.2143 9.5414 116.4618 54.0872 32.7099 173.1376 97 W 5.6708 9.5706 119.3636 55.6355 32.4523 173.3658 98 G 5.0372 9.0944 107.2500 43.8205 0.0000 173.2829 99 S 4.7511 8.9663 112.8468 59.2929 63.8444 174.1955 100 L 4.9506 7.5331 119.9665 52.7356 45.3935 176.9799 101 D 4.4577 8.7933 120.3313 57.0929 40.8543 177.8737 102 G 3.8216 8.0150 106.1242 46.1117 0.0000 172.7332 103 Q 4.2851 7.8481 117.2315 54.4655 31.7795 174.6047 104 G 4.0764 7.6289 114.1560 46.7390 0.0000 174.2476 105 S 4.5580 7.2824 114.6489 58.1067 64.0103 174.0731 106 E 4.3933 9.1297 120.8569 59.3504 29.9798 177.0340 107 H 4.9024 8.8901 114.8610 55.8128 29.7791 174.7066 108 T 4.7860 8.4008 108.3986 59.9667 72.7730 172.9646 109 V 4.2553 7.9906 122.2473 61.1466 33.8091 175.4361 110 D 4.2929 9.4658 130.8169 55.4885 38.7023 175.3065 111 K 3.8546 8.9711 115.3783 56.4422 31.5990 176.7845 112 K 3.9245 7.8557 122.2485 55.8082 32.5806 175.7006 113 K 4.4615 8.1041 125.4235 55.1962 33.9155 175.3409 114 Y 4.5569 8.2155 119.6834 56.0427 40.5985 176.6967 115 A 4.4461 8.6869 122.2043 55.1985 19.7275 177.0977 116 A 5.1181 7.8648 115.0103 51.7158 23.1890 174.8629 117 E 5.2065 9.3531 119.5030 54.8432 33.4656 173.6344 118 L 4.6948 9.2919 129.4739 53.9746 44.3475 174.6224 119 H 5.4395 9.0360 123.3085 54.1536 31.9113 172.7057 120 L 4.6864 8.7858 124.6561 53.2033 43.3264 175.7821 121 V 4.4299 8.6695 125.5598 62.0412 33.1309 174.5455 122 H 5.6913 9.1479 124.2222 53.8442 32.9903 172.3968 123 W 5.4856 8.7371 118.2341 54.3942 31.6856 174.2520 124 N 3.8730 9.3452 122.0426 53.5320 38.7394 175.8640 125 T 3.7323 8.3094 118.2316 64.2563 68.9348 175.9845 *127 K 4.0427 7.8956 121.4412 56.1661 33.6331 175.4001 128 Y 4.6190 7.8727 114.2739 57.4707 38.1585 175.6981 129 G 4.5262 9.7532 114.3378 46.2016 0.0000 174.2548 130 D 3.5664 7.1484 117.2042 50.0385 43.5223 175.6902 131 F 3.5141 7.4828 121.8379 61.3040 38.9959 177.3072 132 G 3.5545 7.9021 103.4381 47.8488 0.0000 175.2345 133 K 4.0037 8.5621 120.7837 58.8383 32.0632 179.2510 134 A 3.7411 7.7071 121.1410 55.1149 18.1017 179.8099 135 V 3.4123 7.0055 108.5764 63.4269 31.6390 176.9166 136 Q 4.2903 7.4935 117.6659 55.6166 29.1965 175.3057 137 Q 4.5766 7.1416 117.7907 52.9224 31.3467 174.9240 138 P 4.5674 0.0000 0.0000 64.9664 31.4867 176.4465 139 D 5.0927 7.9155 118.2831 52.9236 40.0752 177.4545 140 G 4.3470 8.1576 111.1361 48.1917 0.0000 174.3238 141 L 5.6267 8.4867 118.6589 52.6756 46.2142 176.0691 142 A 4.6944 8.9850 121.9122 49.1732 22.0811 175.0780 143 V 4.4987 7.6437 122.3893 61.2763 34.1237 174.0417 144 L 4.8134 8.7642 130.6608 53.9149 43.5283 175.0773 145 G 4.6121 9.5231 114.3727 44.5858 0.0000 172.1107 146 I 4.7788 8.4635 124.8292 59.3138 40.8743 174.9886 147 F 5.0331 8.4704 125.1373 57.0300 40.6684 174.3421 148 L 5.3963 8.9687 121.8853 52.8310 44.6372 175.7403 149 K 4.8352 8.9166 122.2676 54.9267 36.1852 175.1840 150 V 4.4302 8.3870 121.9708 62.4255 32.1574 172.8535 151 G 4.0540 9.0886 121.1288 46.7838 0.0000 176.8326 152 S 4.5794 9.4265 116.9063 57.5057 63.7492 173.2218 153 A 4.2458 8.5296 125.1601 52.0716 19.0613 177.4652 154 K 4.4210 8.8894 122.2624 54.1245 32.9685 175.1457 155 P 4.4127 0.0000 0.0000 65.8136 31.1435 178.5321 156 G 3.8841 8.1439 101.1619 46.4444 0.0000 174.0055 157 L 4.7328 8.1112 121.9150 56.2154 42.6698 177.6609 158 Q 4.0503 8.0903 119.7037 59.5166 28.6456 178.5903 159 K 4.1275 8.2921 118.0463 59.3425 31.8760 179.0689 160 V 3.6118 8.0998 118.7437 66.0708 31.3350 178.6169 161 V 3.5982 7.7868 111.6848 64.4287 31.2317 178.0983 162 D 4.3786 8.2174 117.6820 56.5219 40.9714 178.1140 163 V 4.0309 7.2880 110.6867 61.6819 32.0395 177.7821 164 L 3.6466 7.2878 119.7578 57.7538 41.1006 178.9669 165 D 4.3502 7.9134 117.9124 57.0413 40.8586 178.0799 166 S 4.4095 7.8850 113.0356 59.2006 63.7158 174.0834 167 I 4.6021 7.2174 116.4104 59.9822 37.9118 176.6742 168 K 3.9088 8.3734 124.1922 60.1065 32.7327 176.1434 169 T 4.9058 7.4221 107.2909 58.9362 71.1208 173.3967 170 K 4.3284 8.3177 124.4026 58.3602 32.4834 176.8595 171 G 4.0583 8.9514 114.1156 45.1007 0.0000 173.7838 172 K 4.4119 7.7529 119.4606 56.3195 33.1475 176.4815 173 S 5.2033 8.4525 116.9482 57.0048 66.6274 172.7896 174 A 4.7432 8.7153 121.0921 50.2588 22.8409 175.5065 175 D 4.6327 8.6947 120.2932 54.8290 41.5674 177.2302 176 F 4.9799 8.8213 124.7909 56.9915 39.4396 173.3386 177 T 4.5488 7.7185 111.8670 59.0037 71.5652 174.3060 178 N 4.1320 8.4332 116.3292 54.3204 36.0361 173.9695 179 F 4.4015 8.0957 120.1414 56.7286 40.5233 174.2797 180 D 4.6117 7.5896 127.8782 51.9355 41.3392 174.8961 181 P 4.5717 0.0000 0.0000 64.7350 31.5331 178.5220 182 R 4.1075 8.7132 119.3154 58.8193 30.0330 178.3173 183 G 3.7840 7.6829 105.1092 46.6611 0.0000 174.0441 184 L 4.5855 7.7126 118.7600 54.4061 42.4231 176.4807 185 L 4.4127 7.3069 119.3603 52.9104 42.6164 174.9469 186 P 4.6015 0.0000 0.0000 61.7114 32.7566 176.1229 187 E 3.9615 8.9026 118.6962 58.9612 29.6176 176.6985 188 S 4.6192 8.0598 111.7172 57.1171 63.5982 173.2938 189 L 4.6777 8.0737 124.3702 54.4934 42.2400 176.4099 190 D 4.6020 7.5881 119.3428 55.0024 41.8887 175.0672 191 Y 5.0084 8.3082 118.9377 55.9007 42.2789 173.2132 192 W 5.5506 9.4847 119.1865 55.4075 32.7699 175.0474 193 T 5.9404 9.7913 117.2832 60.2230 70.9178 171.9806 194 Y 5.3612 8.1972 123.4294 55.4082 41.5990 171.2436 195 P 4.9462 0.0000 0.0000 62.3578 32.2636 175.2680 196 G 4.6011 9.6194 114.5038 45.9264 0.0000 170.4083 197 S 5.2553 9.2608 118.4665 56.6202 66.5343 174.2986 198 L 4.5330 8.8312 119.7165 55.1397 42.2976 178.4440 199 T 4.6602 8.9105 111.2926 61.7613 69.6033 174.3846 200 T 4.1605 7.2772 111.8335 58.6586 71.8511 171.4951 201 P 3.4543 0.0000 0.0000 61.8383 31.1394 175.0473 202 P 3.6859 0.0000 0.0000 62.8886 31.1470 176.5481 203 L 4.0271 7.5555 117.1030 54.5469 40.0093 174.6139 204 L 4.0102 7.1001 118.0295 55.0373 42.6135 177.3481 205 E 5.1283 8.4908 123.9981 55.0397 27.4086 175.4635 206 C 4.9631 7.8696 112.2159 57.3946 32.4827 174.2033 207 V 4.6410 7.8146 120.0345 61.8060 33.7518 174.6791 208 T 4.6619 8.4725 124.8878 61.8276 69.7669 173.8372 209 W 4.2268 8.5751 127.8155 56.0939 30.8524 176.0947 210 I 4.6257 8.7733 124.4229 59.7202 39.7880 174.2719 211 V 4.7155 9.0289 128.7203 60.9224 33.1383 175.0844 212 L 4.5183 8.6680 129.1582 54.7065 41.6776 177.4817 213 K 3.8710 8.2958 125.0483 59.0224 32.7839 176.9101 214 E 4.2253 7.8721 121.2965 54.5317 29.8907 173.9128 215 P 4.8544 0.0000 0.0000 62.4830 33.0157 175.2309 216 I 4.5804 8.6218 113.9654 59.4990 40.4575 174.4953 217 S 5.3737 8.5288 119.0362 57.3375 64.7821 173.9444 218 V 4.7816 8.5254 115.9544 59.4935 36.1902 175.5312 219 S 4.9329 8.6099 116.2680 56.7155 64.6524 175.1154 220 S 4.0318 8.6279 115.4088 61.7948 61.7594 176.2674 221 E 3.9641 8.0286 119.6670 59.3788 29.0670 178.9874 222 Q 4.0427 7.7513 117.5818 59.1378 28.8818 179.2408 223 V 2.8948 7.4539 113.1298 63.7231 31.2152 178.3481 224 L 3.9529 7.8740 120.4413 58.1319 41.9291 179.2305 225 K 4.0079 7.7747 117.7100 59.1326 31.7710 179.3938 226 F 3.7882 7.8966 118.0678 60.2473 38.4687 177.1401 227 R 4.5465 7.5087 114.4788 57.2928 30.0016 177.8135 228 K 4.3728 7.5042 117.4214 55.9462 32.9583 176.5588 229 L 4.3514 7.2071 120.0131 54.6771 43.1199 175.5015 230 N 5.4060 8.6171 117.7436 51.7281 40.6829 175.4050 231 F 4.6818 9.2384 122.1700 60.3208 39.8008 176.0701 232 N 4.7098 8.3801 115.7891 52.3002 39.1238 175.1678 233 G 4.2158 8.9285 108.9168 43.7792 0.0000 173.1004 234 E 3.8655 8.4173 120.4620 57.6244 29.9196 177.3197 235 G 3.9500 8.9697 112.3686 45.5724 0.0000 172.6276 236 E 4.7597 7.4359 117.9873 53.0339 32.5896 174.1176 237 P 4.2253 0.0000 0.0000 62.8879 31.7575 176.1986 238 E 4.1806 8.7556 124.1519 56.1687 30.2084 175.3094 239 E 4.6828 9.8554 127.0911 54.0743 32.4814 174.6764 240 L 4.4269 8.7046 127.6291 55.2835 42.5327 177.5933 241 M 2.5500 8.9144 124.5845 54.3854 31.1480 175.4010 242 V 4.4334 7.3345 116.5140 59.2616 36.4527 174.2167 243 D 4.7753 8.1852 119.3970 55.7474 39.0020 174.4063 244 N 3.2002 7.4346 112.2428 51.8097 37.5098 174.9262 245 W 5.2029 6.8647 113.5043 55.4180 31.5073 174.7694 246 R 4.4467 9.1107 120.9770 54.2085 30.8523 174.6708 247 P 4.7602 0.0000 0.0000 61.9794 32.1314 175.9681 248 A 4.2765 8.5280 122.1487 52.8504 18.7255 177.1464 249 Q 4.6464 8.8140 120.6894 53.1676 31.6366 173.9656 250 P 4.2285 0.0000 0.0000 62.9745 30.4883 176.9103 251 L 3.9599 8.7639 125.8029 56.0243 43.2608 177.3872 252 K 3.6401 7.7979 117.7603 57.7173 30.8553 177.0400 253 N 4.7914 8.5877 116.2517 53.7613 37.2232 174.6622 254 R 4.7637 7.5116 113.0684 54.3755 34.8364 175.2143 255 Q 4.6146 8.5748 120.7229 54.2670 31.8228 174.5339 256 I 4.6599 8.2203 125.2678 60.1774 39.1184 174.6635 257 K 5.2301 9.1256 126.1275 54.7404 34.9486 175.1574 258 A 5.3672 8.8765 125.3413 50.3168 21.7476 177.0657 259 S 4.5089 8.5128 115.0587 58.4423 63.7109 173.7766 260 F 4.9877 7.2828 114.3310 55.0740 41.0219 174.7650 261 K 3.7898 8.3297 119.2063 56.5707 31.9642 176.9927 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 H 8.44 4.61 0.00 3.11 3.21 0.00 5.73 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 8.07 4.62 0.00 3.14 3.04 0.00 5.76 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 W 8.95 4.66 0.00 3.17 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 6 G 8.78 3.67 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 0.00 0.00 0.00 7 Y 8.33 4.74 0.00 2.76 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 8 G 8.07 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 9 K 8.42 3.89 0.00 1.63 1.61 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.25 1.38 7.81 10 H 7.95 4.76 0.00 3.14 3.26 0.00 5.70 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 11 N 7.86 4.99 0.00 3.02 2.86 0.00 0.00 6.15 6.92 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 12 G 7.74 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 13 P 0.00 2.00 0.00 1.58 1.13 0.00 3.21 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.00 0.00 14 E 7.76 3.92 0.00 2.01 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 2.15 2.20 0.00 15 H 8.33 4.69 0.00 3.40 3.47 0.00 5.64 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 16 W 7.83 4.75 0.00 3.37 3.21 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 17 H 8.47 4.53 0.00 3.34 3.54 0.00 5.72 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.77 4.05 0.00 1.86 1.87 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.41 1.17 7.81 19 D 7.97 4.61 0.00 2.35 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 0.00 0.00 0.00 20 F 8.16 4.73 0.00 3.10 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 21 P 0.00 4.33 0.00 2.20 2.15 0.00 3.62 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 2.11 2.10 0.00 22 I 7.91 3.87 1.92 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 1.39 1.06 1.02 0.00 0.00 23 A 8.26 4.58 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 24 K 7.82 4.52 0.00 1.79 1.81 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.39 7.81 25 G 8.17 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.62 4.30 0.00 2.00 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 2.31 2.25 0.00 27 R 8.41 4.79 0.00 2.22 2.11 0.00 2.83 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.00 28 Q 7.86 4.58 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 29 S 8.33 4.80 0.00 4.17 3.47 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 30 P 0.00 4.41 0.00 1.86 1.86 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 31 V 7.64 4.67 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 0.72 0.00 0.00 0.29 0.00 0.00 32 D 8.34 4.84 0.00 2.61 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 0.00 0.00 0.00 0.00 33 I 8.88 3.95 1.64 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 1.00 0.54 0.01 0.00 0.00 34 D 8.34 4.87 0.00 2.58 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 0.00 0.00 0.00 0.00 35 T 8.51 3.72 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 36 H 8.20 4.64 0.00 3.26 3.38 0.00 5.82 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.59 4.37 4.19 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 1.19 0.00 0.00 38 A 7.80 4.31 1.17 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 0.00 0.00 39 K 8.67 4.52 0.00 1.87 1.68 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.39 7.81 40 Y 8.70 4.60 0.00 2.85 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 41 D 8.28 4.48 0.00 2.63 2.36 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 42 P 0.00 3.97 0.00 1.96 2.07 0.00 3.46 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.72 0.00 43 S 8.22 4.35 0.00 3.93 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 44 L 7.55 4.14 0.00 1.73 1.73 0.99 0.93 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 45 K 8.46 4.47 0.00 1.74 1.74 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.48 7.81 46 P 0.00 4.86 0.00 2.08 1.99 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 47 L 8.58 4.15 0.00 1.47 1.44 0.65 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.92 4.43 0.00 3.79 3.67 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 49 V 8.14 4.03 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 -0.35 0.00 0.00 0.66 0.00 0.00 50 S 8.66 4.49 0.00 3.87 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 51 Y 7.99 4.90 0.00 2.95 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 52 D 8.34 4.44 0.00 2.80 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 7.94 4.53 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 54 A 7.70 4.10 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.53 4.70 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 1.23 0.00 0.00 56 S 8.49 3.79 0.00 3.52 3.50 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 57 L 8.90 4.52 0.00 1.46 1.65 0.93 0.79 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 58 R 7.50 5.12 0.00 1.82 1.84 0.00 3.09 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 59 I 8.52 5.04 1.16 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.27 0.66 0.00 0.00 60 L 8.83 5.14 0.00 1.68 1.65 0.94 0.40 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 61 N 9.08 4.98 0.00 2.84 2.90 0.00 0.00 7.08 7.55 0.00 0.00 0.00 0.00 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0.00 0.00 95 F 8.65 5.61 0.00 3.23 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 96 H 9.54 5.21 0.00 3.25 3.33 0.00 5.59 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 97 W 9.57 5.67 0.00 3.43 3.49 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 98 G 9.09 5.04 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 0.00 0.00 0.00 99 S 8.97 4.75 0.00 4.14 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 0.00 100 L 7.53 4.95 0.00 1.72 1.57 0.97 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.79 4.46 0.00 2.67 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 0.00 102 G 8.02 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 0.00 0.00 0.00 103 Q 7.85 4.29 0.00 1.74 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 104 G 7.63 4.08 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 0.00 0.00 0.00 105 S 7.28 4.56 0.00 4.61 4.19 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 0.00 106 E 9.13 4.39 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 107 H 8.89 4.90 0.00 3.33 3.51 0.00 5.79 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.40 4.79 4.12 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 0.00 0.00 0.00 1.14 0.00 0.00 109 V 7.99 4.26 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 0.96 0.00 0.00 0.95 0.00 0.00 110 D 9.47 4.29 0.00 2.74 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 0.00 111 K 8.97 3.85 0.00 1.80 1.91 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.46 7.81 112 K 7.86 3.92 0.00 1.58 1.64 0.00 1.37 0.00 0.00 1.32 0.00 0.00 2.69 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.66 1.02 7.81 113 K 8.10 4.46 0.00 1.68 1.44 0.00 1.58 0.00 0.00 1.24 0.00 0.00 2.90 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.12 1.26 7.81 114 Y 8.22 4.56 0.00 2.95 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 0.00 115 A 8.69 4.45 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 0.00 116 A 7.86 5.12 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 0.00 117 E 9.35 5.21 0.00 2.26 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 2.26 2.15 0.00 118 L 9.29 4.69 0.00 1.64 1.62 0.07 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 119 H 9.04 5.44 0.00 2.82 3.18 0.00 5.66 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.79 4.69 0.00 1.66 1.61 0.90 0.43 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 0.00 121 V 8.67 4.43 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 1.22 0.00 0.00 1.09 0.00 0.00 122 H 9.15 5.69 0.00 3.32 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 W 8.74 5.49 0.00 3.51 3.38 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 0.00 0.00 0.00 0.00 124 N 9.35 3.87 0.00 2.49 2.84 0.00 0.00 6.96 6.94 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 0.00 125 T 8.31 3.73 4.09 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 0.72 0.00 0.00 *127 K 7.90 4.04 0.00 1.44 1.37 0.00 1.55 0.00 0.00 1.47 0.00 0.00 2.37 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.74 1.22 7.81 128 Y 7.87 4.62 0.00 3.24 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 9.75 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 7.15 3.57 0.00 2.59 2.54 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 0.00 131 F 7.48 3.51 0.00 2.48 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 G 7.90 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 0.00 0.00 0.00 133 K 8.56 4.00 0.00 1.93 1.79 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.75 1.57 7.81 134 A 7.71 3.74 1.45 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 0.00 0.00 135 V 7.01 3.41 1.83 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 -0.11 0.00 0.00 0.70 0.00 0.00 136 Q 7.49 4.29 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.63 0.00 0.00 0.00 0.00 0.00 2.24 2.16 0.00 137 Q 7.14 4.58 0.00 1.62 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.90 0.00 0.00 0.00 0.00 0.00 1.67 1.16 0.00 138 P 0.00 4.57 0.00 2.20 2.20 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 139 D 7.92 5.09 0.00 2.93 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 0.00 140 G 8.16 4.35 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 0.00 141 L 8.49 5.63 0.00 1.61 1.56 0.97 0.83 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 0.00 142 A 8.99 4.69 0.50 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 0.00 143 V 7.64 4.50 0.67 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 0.58 0.00 0.00 0.42 0.00 0.00 144 L 8.76 4.81 0.00 1.76 1.54 0.79 0.68 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 0.00 145 G 9.52 4.61 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 0.00 146 I 8.46 4.78 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 1.18 0.59 0.90 0.00 0.00 147 F 8.47 5.03 0.00 2.46 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 0.00 0.00 0.00 148 L 8.97 5.40 0.00 1.90 1.60 1.16 0.51 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 0.00 149 K 8.92 4.84 0.00 1.95 2.16 0.00 1.40 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.40 7.81 150 V 8.39 4.43 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 0.76 0.00 0.00 0.93 0.00 0.00 151 G 9.09 4.05 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 0.00 0.00 0.00 152 S 9.43 4.58 0.00 3.78 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 0.00 153 A 8.53 4.25 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 0.00 154 K 8.89 4.42 0.00 2.12 1.74 0.00 1.58 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.48 7.81 155 P 0.00 4.41 0.00 2.22 2.13 0.00 3.68 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 156 G 8.14 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.11 4.73 0.00 1.95 1.96 1.20 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 158 Q 8.09 4.05 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.71 0.00 159 K 8.29 4.13 0.00 2.19 2.13 0.00 1.96 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.65 7.81 160 V 8.10 3.61 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 0.97 0.00 0.00 0.90 0.00 0.00 161 V 7.79 3.60 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 0.93 0.00 0.00 1.01 0.00 0.00 162 D 8.22 4.38 0.00 2.69 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 0.00 163 V 7.29 4.03 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 1.07 0.00 0.00 0.63 0.00 0.00 164 L 7.29 3.65 0.00 1.42 1.39 0.43 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 165 D 7.91 4.35 0.00 2.58 2.69 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 0.00 0.00 0.00 0.00 166 S 7.88 4.41 0.00 3.99 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 0.00 167 I 7.22 4.60 1.77 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.58 0.79 0.00 0.00 168 K 8.37 3.91 0.00 1.76 1.82 0.00 1.66 0.00 0.00 1.85 0.00 0.00 3.19 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.41 7.81 169 T 7.42 4.91 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 1.21 0.00 0.00 170 K 8.32 4.33 0.00 1.92 1.79 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.39 7.81 171 G 8.95 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 0.00 172 K 7.75 4.41 0.00 1.78 1.69 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.51 7.81 173 S 8.45 5.20 0.00 3.77 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 A 8.72 4.74 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 D 8.69 4.63 0.00 2.59 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 0.00 176 F 8.82 4.98 0.00 2.81 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 T 7.72 4.55 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 1.17 0.00 0.00 178 N 8.43 4.13 0.00 2.80 2.90 0.00 0.00 6.82 7.45 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 0.00 179 F 8.10 4.40 0.00 2.48 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 0.00 180 D 7.59 4.61 0.00 2.56 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 0.00 0.00 0.00 181 P 0.00 4.57 0.00 2.10 2.47 0.00 3.80 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.52 0.00 182 R 8.71 4.11 0.00 2.03 2.04 0.00 3.13 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.82 0.00 183 G 7.68 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 L 7.71 4.59 0.00 1.72 1.72 0.69 1.07 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 0.00 185 L 7.31 4.41 0.00 1.62 1.56 0.85 0.93 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 0.00 186 P 0.00 4.60 0.00 2.14 2.13 0.00 3.74 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 187 E 8.90 3.96 0.00 1.93 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 0.00 2.25 2.27 0.00 188 S 8.06 4.62 0.00 3.77 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 L 8.07 4.68 0.00 1.64 1.63 0.85 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 190 D 7.59 4.60 0.00 2.05 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 0.00 191 Y 8.31 5.01 0.00 3.16 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 0.00 192 W 9.48 5.55 0.00 3.63 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 0.00 193 T 9.79 5.94 4.50 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 1.53 0.00 0.00 194 Y 8.20 5.36 0.00 3.19 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 0.00 195 P 0.00 4.95 0.00 2.21 2.19 0.00 4.01 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 196 G 9.62 4.60 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 0.00 197 S 9.26 5.26 0.00 4.15 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 L 8.83 4.53 0.00 1.64 1.68 0.92 0.69 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 0.00 199 T 8.91 4.66 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 1.41 0.00 0.00 200 T 7.28 4.16 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 1.50 0.00 0.00 201 P 0.00 3.45 0.00 0.49 0.49 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 202 P 0.00 3.69 0.00 2.13 2.19 0.00 3.66 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 203 L 7.56 4.03 0.00 1.70 1.91 0.96 1.27 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 0.00 204 L 7.10 4.01 0.00 1.68 1.54 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 205 E 8.49 5.13 0.00 1.88 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 2.33 2.33 0.00 206 C 7.87 4.96 0.00 2.98 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 0.00 207 V 7.81 4.64 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 -0.15 0.00 0.00 0.82 0.00 0.00 208 T 8.47 4.66 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 1.09 0.00 0.00 209 W 8.58 4.23 0.00 2.44 2.79 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 0.00 210 I 8.77 4.63 1.67 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.69 0.44 0.00 0.00 211 V 9.03 4.72 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.01 0.00 0.00 212 L 8.67 4.52 0.00 1.51 1.53 0.88 1.15 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 0.00 213 K 8.30 3.87 0.00 0.79 1.18 0.00 0.61 0.00 0.00 0.74 0.00 0.00 2.66 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.21 1.19 7.81 214 E 7.87 4.23 0.00 1.86 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 215 P 0.00 4.85 0.00 2.05 1.69 0.00 3.81 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 216 I 8.62 4.58 1.91 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 1.42 0.94 0.98 0.00 0.00 217 S 8.53 5.37 0.00 3.78 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 0.00 218 V 8.53 4.78 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 0.71 0.00 0.00 0.89 0.00 0.00 219 S 8.61 4.93 0.00 4.11 4.04 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 0.00 220 S 8.63 4.03 0.00 3.89 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 E 8.03 3.96 0.00 1.92 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 2.30 2.44 0.00 222 Q 7.75 4.04 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 223 V 7.45 2.89 1.83 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 0.63 0.00 0.00 0.89 0.00 0.00 224 L 7.87 3.95 0.00 1.88 1.69 0.92 0.30 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 0.00 225 K 7.77 4.01 0.00 2.00 1.80 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.64 7.81 226 F 7.90 3.79 0.00 2.56 1.45 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 0.00 227 R 7.51 4.55 0.00 1.99 2.10 0.00 3.21 0.00 0.00 3.34 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 228 K 7.50 4.37 0.00 1.84 1.83 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.67 7.81 229 L 7.21 4.35 0.00 1.69 1.63 0.92 0.82 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 0.00 230 N 8.62 5.41 0.00 2.71 2.95 0.00 0.00 7.01 8.09 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 0.00 231 F 9.24 4.68 0.00 2.96 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 0.00 232 N 8.38 4.71 0.00 2.80 3.01 0.00 0.00 6.13 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 0.00 233 G 8.93 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 0.00 234 E 8.42 3.87 0.00 1.93 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 0.00 2.29 2.32 0.00 235 G 8.97 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 0.00 0.00 0.00 236 E 7.44 4.76 0.00 2.02 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 2.23 2.49 0.00 237 P 0.00 4.23 0.00 2.06 2.03 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 238 E 8.76 4.18 0.00 1.95 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 2.32 2.52 0.00 239 E 9.86 4.68 0.00 2.09 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 2.55 2.40 0.00 240 L 8.70 4.43 0.00 1.63 1.63 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 241 M 8.91 2.55 0.00 1.97 1.53 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 1.73 2.06 0.00 242 V 7.33 4.43 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 0.98 0.00 0.00 1.05 0.00 0.00 243 D 8.19 4.78 0.00 2.88 2.55 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 0.00 244 N 7.43 3.20 0.00 2.21 2.47 0.00 0.00 6.09 8.88 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 0.00 245 W 6.86 5.20 0.00 3.56 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 0.00 246 R 9.11 4.45 0.00 2.05 2.03 0.00 3.73 0.00 0.00 3.52 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.34 0.00 247 P 0.00 4.76 0.00 2.09 2.08 0.00 3.59 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.92 0.00 248 A 8.53 4.28 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 0.00 249 Q 8.81 4.65 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.73 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 250 P 0.00 4.23 0.00 1.92 1.98 0.00 3.67 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 251 L 8.76 3.96 0.00 1.63 1.60 0.73 0.66 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 0.00 252 K 7.80 3.64 0.00 1.94 1.65 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.52 1.39 7.81 253 N 8.59 4.79 0.00 2.71 2.81 0.00 0.00 6.50 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 0.00 254 R 7.51 4.76 0.00 1.89 1.83 0.00 3.39 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 255 Q 8.57 4.61 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 256 I 8.22 4.66 1.84 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.73 1.02 0.00 0.00 257 K 9.13 5.23 0.00 1.83 1.73 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.45 7.81 258 A 8.88 5.37 1.04 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 0.00 0.00 259 S 8.51 4.51 0.00 3.43 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 0.00 260 F 7.28 4.99 0.00 3.04 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 0.00 261 K 8.33 3.79 0.00 1.58 1.49 0.00 1.56 0.00 0.00 1.48 0.00 0.00 2.59 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 0.64 7.81 * Residues marked with a * may have inaccurate shift predictions.