NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3195 8.3044 120.3273 54.1167 34.5913 173.2344 2 D 4.1659 7.9737 118.8627 52.8151 38.4856 172.1165 3 K 3.9303 8.8827 126.1007 58.9412 33.6571 176.4636 4 N 5.0913 7.8872 114.4167 53.6093 39.1369 175.5584 5 E 4.5120 8.0212 118.2758 56.7197 32.8246 177.2983 6 L 4.0260 7.8073 118.3150 57.2871 41.5582 179.6561 7 V 3.6403 7.9275 118.4336 65.9743 31.4730 177.7332 8 Q 4.2200 7.9390 113.9546 57.0969 28.8430 177.2564 9 K 4.1876 7.6368 121.5728 58.4083 32.7324 178.0064 10 A 3.9249 7.6692 120.6006 55.3926 18.5278 179.7465 11 K 3.9175 8.1161 116.6864 59.5025 31.8196 179.4208 12 L 3.9337 7.7885 119.3128 57.9504 42.4462 178.3162 13 A 4.0155 7.9440 120.8470 54.9919 18.3845 179.0787 14 E 3.4301 8.0758 117.8053 59.5607 29.5209 179.0688 15 Q 4.1514 7.8693 115.4036 57.4926 28.9375 177.2961 16 A 4.4946 7.5402 121.4331 51.0906 19.4255 178.1371 17 E 3.3278 7.6564 118.4366 58.2367 29.8002 175.5530 18 R 4.0026 7.3784 117.1563 57.1051 29.9084 176.0275 19 Y 4.1845 8.2542 122.5271 59.8073 38.7087 177.5288 20 D 4.3371 8.0871 119.6821 57.3661 40.8243 178.2911 21 D 4.3464 7.9748 119.1199 57.4365 40.7682 178.2481 22 M 3.9852 7.5816 118.2783 58.3885 32.1749 178.2092 23 A 3.5690 8.1450 121.0871 54.8355 18.3383 179.0634 24 A 3.8848 7.6949 118.9642 55.5589 18.5042 179.3424 25 C 3.9136 8.5047 114.5380 63.4146 28.2589 176.5261 26 M 4.1989 7.9014 119.6982 57.5198 31.5681 178.7809 27 K 3.9702 8.1403 120.3213 59.5535 32.1822 178.5998 28 S 4.0460 8.0679 114.5714 61.9040 62.9780 176.5166 29 V 3.7095 7.7451 120.2243 66.5484 31.0873 178.1534 30 T 3.8364 7.9441 111.7877 64.3259 67.1461 174.6647 31 E 3.2206 7.9468 118.3145 54.5631 30.9398 176.0396 32 Q 4.5629 8.0886 125.6663 56.6336 27.3731 178.5756 33 G 4.1795 8.8478 102.1103 43.2654 0.0000 174.6490 34 A 4.2405 8.4397 128.9673 52.0829 18.7362 176.4478 35 E 3.6371 7.9968 109.0873 57.2486 27.6647 172.8280 36 L 4.6703 7.8669 118.5321 52.9913 42.4372 177.5830 37 S 4.0360 9.0304 117.6842 59.2411 63.5417 174.7066 38 N 4.1162 8.8322 125.7282 56.5627 38.2555 176.9126 39 E 3.9451 8.1405 120.0221 59.4993 29.7790 178.6038 40 E 4.0167 8.1002 118.1018 59.2172 29.3622 178.9514 41 R 3.9115 8.2944 119.2834 59.7810 30.0695 178.1775 42 N 4.6535 8.1136 116.6854 56.3638 38.8633 176.3882 43 L 3.7716 7.8482 121.9653 58.1734 41.9616 178.9659 44 L 4.1325 8.0491 120.0777 58.4070 42.3275 178.9280 45 S 4.4140 8.1812 113.4335 61.2528 62.3177 176.5201 46 V 3.6415 8.9051 122.6367 64.8702 31.3270 177.9962 47 A 4.0129 7.8488 121.8432 55.1686 18.3069 179.2193 48 Y 4.0463 8.2839 114.8345 60.4872 37.9446 178.8182 49 K 4.4036 8.1458 118.9974 59.0568 33.1986 178.8852 50 N 4.1596 8.0021 118.0739 55.9416 38.1820 177.5518 51 V 3.5562 7.6325 119.3850 65.9901 31.6995 178.5144 52 V 3.8284 7.9802 119.1303 64.8973 31.3144 178.3602 53 G 3.6003 8.2656 106.3615 47.2454 0.0000 175.3866 54 A 4.0016 7.8586 122.8743 55.3070 18.4687 180.0665 55 R 3.9198 7.7651 116.5927 59.3610 30.0792 179.5697 56 R 3.9184 8.3971 118.4720 59.2076 29.8606 178.7608 57 S 4.0243 8.1476 112.8982 61.4439 62.4177 175.9902 58 S 4.0495 8.2571 117.7195 61.6261 62.5066 176.5167 59 W 4.0458 8.4239 129.4231 60.9951 30.6342 177.6431 60 R 4.0503 8.2319 117.8434 59.2303 29.5242 179.1056 61 V 3.5450 7.6930 118.5197 65.1502 31.4860 178.8449 62 V 3.5296 7.6281 119.7380 63.8230 30.6178 177.9610 63 S 4.0528 7.5630 115.7872 60.1306 62.7550 176.6555 64 S 4.0525 7.6004 117.0259 61.6189 62.8797 176.5286 65 I 3.7461 7.5485 122.3068 63.4359 36.7889 177.7207 66 E 4.0408 7.9043 120.6077 58.7905 29.1829 178.4984 67 Q 4.0817 7.6330 116.5854 57.1987 30.4344 176.7912 68 K 4.2271 7.4908 120.9779 54.5536 30.7485 174.9704 *73 E 4.2668 7.3893 122.4260 55.8581 32.3970 177.4212 74 K 4.0056 7.8046 118.4029 59.4134 32.1556 178.8819 75 K 3.9240 8.1265 119.3175 59.2205 31.8751 177.9807 76 Q 4.0588 8.4137 119.9986 58.2456 29.1026 177.4727 77 Q 3.9030 7.8615 120.6428 59.2100 29.0990 177.6710 78 M 4.0642 8.1604 117.9513 58.3887 31.1807 178.1600 79 A 4.2072 7.6899 120.8814 54.0606 18.9421 179.4465 80 R 4.1835 8.7349 120.1552 58.6230 29.6372 178.2064 81 E 4.7816 8.5608 121.1422 59.0369 29.6617 178.2860 82 Y 4.3758 7.8643 119.6666 60.7862 38.9471 177.4989 83 R 3.7230 7.8981 119.2458 59.1143 29.8862 177.9174 84 E 4.0287 8.4092 119.3729 59.3214 29.5408 178.9068 85 K 4.0587 7.8023 118.7441 59.6509 32.2488 178.8940 86 I 3.7949 7.9217 120.2021 64.2492 37.0093 177.8668 87 E 3.9724 8.5569 120.2302 59.7507 29.3812 179.1029 88 T 3.8874 7.7433 115.4895 66.6622 68.4004 176.3795 89 E 3.9701 8.0184 120.1673 59.4298 29.6234 179.1706 90 L 3.9606 8.1859 120.4701 58.2811 42.1182 179.0793 91 R 3.9048 8.3565 118.9754 59.4422 30.0266 178.1950 92 D 4.4110 8.4892 119.0107 57.3331 40.6211 178.4440 93 I 3.7314 7.5204 120.7289 64.2955 37.1058 177.7802 94 C 3.6232 8.0238 116.6414 63.1766 28.1457 176.2893 95 N 4.1417 7.9705 117.6422 56.2961 37.8840 176.5830 96 D 4.2017 7.8235 119.5549 57.6259 41.2369 178.9039 97 V 2.9178 7.5469 119.5074 64.3048 31.2240 177.9718 98 L 3.7210 7.9069 121.4130 57.7162 41.6846 179.0754 99 S 4.0109 7.8239 113.1477 61.4246 62.3523 176.1519 100 L 3.9095 7.4257 121.5970 58.3441 41.2730 178.4969 101 L 3.9114 8.1873 119.2028 57.6019 41.1014 179.0137 102 E 4.0405 8.7701 122.4299 59.4259 30.0325 179.0622 103 K 4.3199 8.1976 115.7140 56.8906 32.5610 176.9739 104 F 4.6671 7.8238 115.2447 59.1631 43.0453 175.7994 105 L 3.7364 8.0874 121.3080 57.2387 41.7846 179.3726 106 I 3.7328 8.1865 113.4112 63.4468 37.4492 174.7498 107 P 4.6531 0.0000 0.0000 62.2600 31.4368 175.9712 108 N 4.7703 8.1976 118.8807 53.5752 40.1515 173.1164 109 A 4.6426 8.1350 129.7410 51.7583 21.0806 174.9785 *112 A 4.3927 8.3409 114.0619 52.7856 21.1067 179.1416 113 E 3.9321 7.8881 113.1466 59.0637 29.9704 179.0139 114 S 3.8221 8.1419 114.8065 61.4050 62.7511 176.5634 115 K 4.2062 7.8140 121.4251 58.6036 31.8930 179.2502 116 V 3.9236 7.7386 119.0789 63.8475 31.6991 177.9876 117 F 3.9573 8.1060 120.9514 61.4411 39.1893 176.4585 118 Y 4.6769 8.2158 116.1246 61.4243 37.7419 178.7814 119 L 4.1034 8.1082 118.9085 56.7062 41.5432 179.5089 120 K 3.9396 7.8886 120.0982 59.6296 32.4302 178.2055 121 M 3.9043 8.2166 118.6912 58.7042 31.9185 178.1400 122 K 4.1554 8.5822 120.2149 59.3095 32.4146 179.1742 123 G 2.5883 7.4178 105.9729 47.3642 0.0000 175.2383 124 D 4.1186 8.0972 123.3876 56.6594 40.9025 178.8601 125 Y 3.8380 7.2003 116.2493 61.0144 37.6976 178.0801 126 Y 4.0410 7.7426 117.9194 60.6087 37.9880 178.2112 127 R 3.9788 7.8374 120.0586 59.7179 30.1534 178.1797 128 Y 4.7211 7.8195 116.3253 60.6142 37.9515 177.6468 129 L 3.9626 7.9116 121.0387 57.4190 41.9964 178.4935 130 A 4.1241 8.0301 120.3662 54.7562 18.4702 179.1089 131 E 3.9942 7.9880 116.4873 58.8665 29.5983 178.6980 132 V 3.5487 6.7776 115.0942 62.1935 32.0677 175.6295 133 A 4.2860 7.2039 120.5350 52.1011 18.5880 175.1909 134 A 4.6138 7.6030 119.3862 53.0685 22.4788 182.5182 135 G 4.0588 7.6195 105.5465 43.6097 0.0000 174.5436 136 D 4.4142 8.8796 119.7790 57.0709 41.0762 178.3515 137 D 4.3826 8.1157 119.3111 57.3027 40.8385 178.1036 138 K 3.8787 8.0978 120.0579 59.9672 32.1307 178.2301 139 K 3.9260 8.2800 117.9158 59.8454 31.9808 178.9720 140 G 3.7890 8.1263 105.3747 48.2725 0.0000 175.4874 141 I 3.9648 7.6741 122.1997 64.0540 36.6465 178.8363 142 V 3.7502 7.7782 120.3141 64.8098 31.0236 178.0679 143 D 4.3651 8.3320 118.7652 57.1270 39.4807 178.2126 144 Q 3.6683 8.0610 118.6282 58.6092 28.4976 178.7502 145 S 3.8859 7.5754 114.2338 61.3444 62.4264 175.3212 146 Q 3.1245 7.5411 121.8480 58.7851 28.6694 178.0379 147 Q 4.0542 7.8574 118.3474 58.5190 28.4979 178.7542 148 A 3.9039 6.7608 122.1140 54.9249 18.8619 178.9267 149 Y 3.8528 7.0895 115.0224 61.2142 37.7668 178.7901 150 Q 4.0514 7.9280 120.5477 59.0229 29.0457 178.2654 151 E 3.9452 7.7205 119.0759 59.4367 29.7640 178.9424 152 A 4.0619 7.9467 120.6585 55.3163 18.1485 179.4617 153 F 4.3462 8.3787 118.8589 61.5255 39.5982 176.8659 154 E 3.9715 8.2511 116.8975 58.5562 29.4470 178.6906 155 I 3.9384 7.6662 119.4436 63.7277 37.2135 177.8265 156 S 4.3541 7.8700 116.2696 60.9736 63.8506 175.3091 157 K 4.4800 7.5405 121.7156 55.0409 29.6890 174.4641 158 K 4.5245 7.3908 123.2243 55.4544 40.0903 174.7624 159 E 4.7000 8.6680 116.4051 55.9929 31.1114 175.1536 160 M 4.7053 7.1626 117.2830 53.6569 34.6898 173.8519 *166 I 4.0811 7.7901 116.5240 62.1716 40.4310 178.7829 167 R 3.9256 7.8009 118.5776 59.5309 30.2774 178.6391 168 L 4.1212 8.0043 119.8444 57.7831 42.1442 178.9214 169 G 3.5883 8.0454 105.4327 47.6942 0.0000 175.1001 170 L 3.9953 8.3095 123.6581 57.6490 42.2222 178.5336 171 A 4.2107 8.2543 120.9614 55.4386 18.2988 179.0582 172 L 3.9568 8.1850 118.5079 58.9413 42.1727 178.5640 173 N 4.3182 8.3650 116.1645 56.2912 38.3088 176.8452 174 F 3.1534 8.5903 123.0911 61.3597 39.6387 177.3473 175 S 4.2299 7.9956 112.3674 61.3609 62.1557 176.3960 176 V 3.7729 7.6728 119.2003 63.5164 31.2202 177.4762 177 F 4.4922 7.8931 121.7716 60.7141 39.8635 174.6930 178 Y 3.9813 7.4328 117.6204 59.1020 36.3737 172.8021 179 Y 3.9513 8.4271 127.9703 57.7325 36.4887 169.5083 *188 A 3.8162 7.7035 120.9372 51.5916 19.9021 176.0250 189 C 4.6166 8.6074 111.4662 61.2867 29.0899 176.0182 190 S 4.0687 7.8613 117.1062 61.7300 62.9200 176.0816 191 L 3.9204 7.9978 124.7242 56.8360 41.8821 178.9112 192 A 4.1271 8.0327 120.7442 54.8613 18.4804 179.2007 193 K 4.2414 8.1621 117.9063 60.0597 32.4060 178.7762 194 T 3.8610 8.2091 115.9937 66.8586 68.1406 175.8852 195 A 4.0771 8.1057 122.1948 55.5013 18.2319 179.2796 196 F 4.5981 8.0038 116.1339 60.2086 39.6829 177.0281 197 D 4.1097 8.4554 118.4576 57.6318 40.5691 177.9625 198 E 4.0641 8.2842 118.2541 58.6283 29.2194 178.8341 199 A 4.4134 7.3971 118.8574 54.4854 18.9341 179.2220 200 I 3.9521 7.4923 118.2816 63.8454 36.8815 177.5426 201 A 4.1300 7.2026 120.5546 52.5285 17.6516 177.3799 202 E 4.4878 7.8637 119.6755 57.4712 30.9867 176.6689 203 L 4.0516 7.5909 117.8724 54.7929 42.1162 175.9427 *216 L 4.2080 7.8734 122.2584 54.8794 43.6417 178.4988 217 I 3.6010 7.2845 117.7318 65.6303 37.3276 178.0605 218 M 4.0208 7.8802 118.3154 58.4653 31.9223 178.7746 219 Q 3.8373 7.8792 119.1744 59.0697 29.4508 177.5111 220 L 3.6910 8.2197 120.6748 57.9057 41.4505 179.3780 221 L 3.9837 7.2391 117.8552 57.7032 40.8899 178.9937 222 R 3.2297 6.7263 118.9068 59.1260 29.9918 177.8233 223 D 4.1640 8.4725 118.5500 57.4474 41.3520 177.9285 224 N 3.9931 7.8239 116.2636 55.2882 38.1691 176.7357 225 L 3.9046 6.8591 118.7437 56.5301 41.9373 178.6922 226 T 3.9970 7.2383 115.4493 66.4143 68.3785 175.9224 227 L 4.1485 7.5119 120.8346 55.3059 41.9549 176.6966 228 W 4.3770 7.2601 120.6663 56.5629 28.1724 175.6269 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 M 8.30 4.32 0.00 2.02 2.50 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 2 D 7.97 4.17 0.00 3.03 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 3 K 8.88 3.93 0.00 1.83 1.80 0.00 1.76 0.00 0.00 2.03 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.48 7.81 4 N 7.89 5.09 0.00 2.73 2.81 0.00 0.00 6.57 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 5 E 8.02 4.51 0.00 2.13 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 2.25 2.29 0.00 6 L 7.81 4.03 0.00 2.02 1.84 0.91 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 7 V 7.93 3.64 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.96 0.00 0.00 8 Q 7.94 4.22 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 9 K 7.64 4.19 0.00 2.02 1.85 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.57 7.81 10 A 7.67 3.92 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.12 3.92 0.00 1.83 1.89 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.48 7.81 12 L 7.79 3.93 0.00 1.60 1.90 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.94 4.02 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 14 E 8.08 3.43 0.00 2.08 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 0.00 2.37 2.61 0.00 15 Q 7.87 4.15 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.05 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 16 A 7.54 4.49 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 7.66 3.33 0.00 2.09 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 2.29 2.44 0.00 18 R 7.38 4.00 0.00 1.75 1.82 0.00 3.28 0.00 0.00 3.12 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.73 0.00 19 Y 8.25 4.18 0.00 3.00 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 20 D 8.09 4.34 0.00 2.68 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 21 D 7.97 4.35 0.00 2.78 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 22 M 7.58 3.99 0.00 2.35 2.05 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.62 0.00 23 A 8.15 3.57 0.72 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 0.00 0.00 24 A 7.69 3.88 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 8.50 3.91 0.00 2.95 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 26 M 7.90 4.20 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.89 0.00 27 K 8.14 3.97 0.00 2.11 1.96 0.00 1.79 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.52 7.81 28 S 8.07 4.05 0.00 4.00 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 29 V 7.75 3.71 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 0.99 0.00 0.00 0.95 0.00 0.00 30 T 7.94 3.84 4.38 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 1.08 0.00 0.00 31 E 7.95 3.22 0.00 1.59 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 2.38 2.19 0.00 32 Q 8.09 4.56 0.00 2.23 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 33 G 8.85 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.44 4.24 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 35 E 8.00 3.64 0.00 2.63 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 36 L 7.87 4.67 0.00 1.72 1.72 0.96 0.96 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 37 S 9.03 4.04 0.00 3.89 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 38 N 8.83 4.12 0.00 2.84 2.88 0.00 0.00 6.78 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 8.14 3.95 0.00 2.05 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 2.40 2.43 0.00 40 E 8.10 4.02 0.00 2.18 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 2.42 2.38 0.00 41 R 8.29 3.91 0.00 2.02 1.99 0.00 2.62 0.00 0.00 2.93 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.87 0.00 42 N 8.11 4.65 0.00 2.93 2.89 0.00 0.00 6.94 6.81 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 43 L 7.85 3.77 0.00 2.03 1.81 0.98 0.89 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 44 L 8.05 4.13 0.00 2.05 2.07 1.13 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.18 4.41 0.00 4.34 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 46 V 8.91 3.64 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 0.95 0.00 0.00 47 A 7.85 4.01 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 48 Y 8.28 4.05 0.00 3.32 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 49 K 8.15 4.40 0.00 2.10 2.27 0.00 1.33 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.51 7.81 50 N 8.00 4.16 0.00 2.40 2.31 0.00 0.00 6.51 7.84 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 51 V 7.63 3.56 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 1.11 0.00 0.00 1.03 0.00 0.00 52 V 7.98 3.83 2.44 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 1.34 0.00 0.00 1.23 0.00 0.00 53 G 8.27 3.60 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 54 A 7.86 4.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.77 3.92 0.00 2.05 2.03 0.00 3.21 0.00 0.00 3.45 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 56 R 8.40 3.92 0.00 1.81 1.80 0.00 2.21 0.00 0.00 2.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.69 0.00 57 S 8.15 4.02 0.00 3.97 4.10 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 58 S 8.26 4.05 0.00 4.08 3.84 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 59 W 8.42 4.05 0.00 3.36 3.42 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 60 R 8.23 4.05 0.00 2.10 1.96 0.00 3.22 0.00 0.00 3.25 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.07 0.00 61 V 7.69 3.54 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 0.94 0.00 0.00 0.88 0.00 0.00 62 V 7.63 3.53 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.73 0.00 0.00 63 S 7.56 4.05 0.00 3.60 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 64 S 7.60 4.05 0.00 4.00 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 65 I 7.55 3.75 1.94 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 1.37 0.71 0.89 0.00 0.00 66 E 7.90 4.04 0.00 2.12 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 2.24 2.25 0.00 67 Q 7.63 4.08 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.01 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 68 K 7.49 4.23 0.00 1.88 1.77 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.32 7.81 *73 E 7.39 4.27 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 2.27 2.25 0.00 74 K 7.80 4.01 0.00 1.86 1.79 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.50 7.81 75 K 8.13 3.92 0.00 1.85 1.79 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.50 7.81 76 Q 8.41 4.06 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 77 Q 7.86 3.90 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 78 M 8.16 4.06 0.00 2.51 2.31 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.61 0.00 79 A 7.69 4.21 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 80 R 8.73 4.18 0.00 1.86 1.95 0.00 3.16 0.00 0.00 3.21 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.49 0.00 81 E 8.56 4.78 0.00 2.38 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 82 Y 7.86 4.38 0.00 3.12 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 83 R 7.90 3.72 0.00 1.85 1.78 0.00 3.38 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.09 0.00 84 E 8.41 4.03 0.00 2.31 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 2.37 2.39 0.00 85 K 7.80 4.06 0.00 2.00 2.19 0.00 1.86 0.00 0.00 1.99 0.00 0.00 3.26 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.57 7.81 86 I 7.92 3.79 1.91 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.37 1.07 0.00 0.00 87 E 8.56 3.97 0.00 2.74 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 0.00 2.30 2.23 0.00 88 T 7.74 3.89 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 89 E 8.02 3.97 0.00 2.17 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 2.38 2.62 0.00 90 L 8.19 3.96 0.00 1.81 1.88 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.36 3.90 0.00 1.91 2.02 0.00 3.12 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 92 D 8.49 4.41 0.00 2.84 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 I 7.52 3.73 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.93 1.04 0.00 0.00 94 C 8.02 3.62 0.00 2.92 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 95 N 7.97 4.14 0.00 2.67 2.78 0.00 0.00 6.70 8.24 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 96 D 7.82 4.20 0.00 3.02 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.55 2.92 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 -0.48 0.00 0.00 0.22 0.00 0.00 98 L 7.91 3.72 0.00 1.77 1.45 0.78 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.82 4.01 0.00 3.97 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 0.00 100 L 7.43 3.91 0.00 1.54 1.44 0.86 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.19 3.91 0.00 1.84 1.61 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.77 4.04 0.00 1.98 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 2.40 2.48 0.00 103 K 8.20 4.32 0.00 2.10 1.82 0.00 1.54 0.00 0.00 1.70 0.00 0.00 3.37 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.45 7.81 104 F 7.82 4.67 0.00 2.94 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.09 3.74 0.00 1.60 0.76 0.78 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.19 3.73 1.93 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 1.34 0.53 0.94 0.00 0.00 107 P 0.00 4.65 0.00 2.16 2.14 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.89 0.00 108 N 8.20 4.77 0.00 2.90 2.72 0.00 0.00 6.77 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 0.00 109 A 8.14 4.64 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 *112 A 8.34 4.39 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 7.89 3.93 0.00 2.22 2.23 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 2.35 2.33 0.00 114 S 8.14 3.82 0.00 4.04 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 7.81 4.21 0.00 1.96 1.97 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.50 7.81 116 V 7.74 3.92 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.00 0.00 0.00 117 F 8.11 3.96 0.00 2.94 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 0.00 118 Y 8.22 4.68 0.00 3.15 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 0.00 119 L 8.11 4.10 0.00 1.99 1.88 1.08 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 120 K 7.89 3.94 0.00 2.03 1.97 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.66 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.68 1.61 7.81 121 M 8.22 3.90 0.00 2.45 2.34 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.87 0.00 122 K 8.58 4.16 0.00 2.02 1.90 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.69 1.60 7.81 123 G 7.42 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 0.00 0.00 0.00 124 D 8.10 4.12 0.00 2.18 1.88 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 0.00 125 Y 7.20 3.84 0.00 2.87 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 0.00 126 Y 7.74 4.04 0.00 2.99 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 0.00 127 R 7.84 3.98 0.00 2.09 1.92 0.00 3.40 0.00 0.00 3.52 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.86 0.00 128 Y 7.82 4.72 0.00 3.16 2.87 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 0.00 0.00 0.00 129 L 7.91 3.96 0.00 2.07 1.75 0.86 1.05 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 0.00 130 A 8.03 4.12 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 7.99 3.99 0.00 1.91 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.60 0.00 132 V 6.78 3.55 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 0.69 0.00 0.00 -0.43 0.00 0.00 133 A 7.20 4.29 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 0.00 134 A 7.60 4.61 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 G 7.62 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 0.00 136 D 8.88 4.41 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.12 4.38 0.00 2.82 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 0.00 138 K 8.10 3.88 0.00 1.85 1.95 0.00 1.88 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.63 7.81 139 K 8.28 3.93 0.00 2.09 1.82 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.48 7.81 140 G 8.13 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.67 3.96 2.06 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 1.68 1.01 1.08 0.00 0.00 142 V 7.78 3.75 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 0.88 0.00 0.00 0.93 0.00 0.00 143 D 8.33 4.37 0.00 2.83 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 0.00 144 Q 8.06 3.67 0.00 1.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 145 S 7.58 3.89 0.00 4.00 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 0.00 146 Q 7.54 3.12 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.51 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 147 Q 7.86 4.05 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 2.44 2.28 0.00 148 A 6.76 3.90 1.09 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 0.00 0.00 149 Y 7.09 3.85 0.00 1.69 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 7.93 4.05 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.83 0.00 0.00 0.00 0.00 0.00 2.65 2.77 0.00 151 E 7.72 3.95 0.00 2.40 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 2.32 2.37 0.00 152 A 7.95 4.06 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 0.00 153 F 8.38 4.35 0.00 3.13 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 0.00 154 E 8.25 3.97 0.00 2.12 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 2.26 0.00 155 I 7.67 3.94 2.03 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 1.53 0.67 0.93 0.00 0.00 156 S 7.87 4.35 0.00 4.09 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 K 7.54 4.48 0.00 1.57 1.66 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.34 7.81 158 K 7.39 4.52 0.00 1.72 1.68 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.41 7.81 159 E 8.67 4.70 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 160 M 7.16 4.71 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 *166 I 7.79 4.08 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.38 0.95 0.00 0.00 167 R 7.80 3.93 0.00 1.96 1.94 0.00 3.25 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 168 L 8.00 4.12 0.00 1.84 1.68 1.00 1.06 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 0.00 169 G 8.05 3.59 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 0.00 0.00 0.00 170 L 8.31 4.00 0.00 1.88 2.06 1.10 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 171 A 8.25 4.21 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 8.19 3.96 0.00 1.79 1.94 0.95 1.01 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 0.00 173 N 8.36 4.32 0.00 3.04 2.74 0.00 0.00 6.74 7.50 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 0.00 174 F 8.59 3.15 0.00 2.39 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 0.00 175 S 8.00 4.23 0.00 4.29 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 V 7.67 3.77 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 0.98 0.00 0.00 1.22 0.00 0.00 177 F 7.89 4.49 0.00 2.88 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 Y 7.43 3.98 0.00 3.02 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 0.00 179 Y 8.43 3.95 0.00 2.47 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 *188 A 7.70 3.82 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 0.00 189 C 8.61 4.62 0.00 3.35 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 S 7.86 4.07 0.00 4.00 4.10 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 0.00 191 L 8.00 3.92 0.00 1.62 1.77 1.01 0.29 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 0.00 192 A 8.03 4.13 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 0.00 193 K 8.16 4.24 0.00 2.13 2.00 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.57 7.81 194 T 8.21 3.86 4.30 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 1.29 0.00 0.00 195 A 8.11 4.08 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 0.00 196 F 8.00 4.60 0.00 2.87 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 0.00 197 D 8.46 4.11 0.00 2.63 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 0.00 198 E 8.28 4.06 0.00 2.09 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 2.32 2.46 0.00 199 A 7.40 4.41 1.53 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 0.00 200 I 7.49 3.95 1.88 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.84 0.88 0.00 0.00 201 A 7.20 4.13 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 0.00 202 E 7.86 4.49 0.00 1.92 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 2.25 2.26 0.00 203 L 7.59 4.05 0.00 1.68 1.59 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 *216 L 7.87 4.21 0.00 1.74 1.61 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 217 I 7.28 3.60 1.88 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 1.64 0.55 0.92 0.00 0.00 218 M 7.88 4.02 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.67 0.00 219 Q 7.88 3.84 0.00 2.03 2.01 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 2.32 2.34 0.00 220 L 8.22 3.69 0.00 1.98 1.67 0.90 0.55 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 0.00 221 L 7.24 3.98 0.00 1.67 1.71 1.03 0.84 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 0.00 222 R 6.73 3.23 0.00 0.78 1.72 0.00 3.19 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.75 0.00 223 D 8.47 4.16 0.00 2.61 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 0.00 224 N 7.82 3.99 0.00 2.52 1.75 0.00 0.00 7.06 6.10 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 0.00 225 L 6.86 3.90 0.00 1.66 1.65 0.83 1.52 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 0.00 226 T 7.24 4.00 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 1.15 0.00 0.00 227 L 7.51 4.15 0.00 1.26 1.59 0.80 0.72 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 0.00 228 W 7.26 4.38 0.00 3.30 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 * Residues marked with a * may have inaccurate shift predictions.