NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.6782 8.5445 117.3750 54.1162 29.4336 173.6786 1 M 4.1136 8.6633 123.3927 52.8754 31.7872 170.3182 2 K 4.6460 8.3204 119.3306 54.2635 36.4072 175.9867 3 N 4.5873 8.5694 123.4590 52.8570 41.0475 174.0292 4 P 4.2876 0.0000 0.0000 65.8800 31.5022 178.4371 5 Y 4.1275 8.1921 117.8703 60.6766 38.7235 178.0061 6 S 4.0005 8.5805 116.0708 61.7185 62.9966 176.2823 7 N 4.2648 8.0717 119.0314 56.3978 38.2929 177.1086 8 Q 3.8855 7.9189 120.6514 59.3170 29.0615 178.5957 9 I 3.5257 7.4518 120.5762 64.3257 37.1333 178.1209 10 E 3.9011 8.3574 119.8430 59.4078 29.1981 179.4300 11 R 3.8756 7.9144 118.4321 59.6067 30.2176 178.3625 12 E 3.9458 8.0875 118.2387 59.5651 29.4163 179.2823 13 E 4.0142 8.4395 118.8152 59.2159 29.2471 179.2421 14 L 4.0183 7.7250 119.5299 58.1081 42.5981 178.8046 15 I 3.9125 8.0468 119.9722 64.3742 36.9875 177.8649 16 L 3.9181 8.3067 121.4630 58.3322 41.6161 178.8329 17 K 3.6979 8.1162 118.3253 59.3545 32.3669 177.3260 18 Y 4.5642 7.6714 113.8590 58.0011 38.3284 177.2626 19 L 4.0369 7.7546 121.8103 57.6403 41.7049 177.6114 20 P 4.3080 0.0000 0.0000 65.2507 31.2503 178.4093 21 L 3.9974 7.9219 119.5003 58.1429 42.0410 179.1621 22 V 3.6242 7.7413 117.7942 65.6533 31.3764 177.8102 23 K 3.8903 8.0293 118.8605 59.4937 32.1679 178.5266 24 A 3.9921 8.1235 121.1022 55.4252 18.2791 179.7515 25 I 3.7085 7.9870 117.9306 64.4111 37.1094 178.5750 26 A 3.9923 8.1604 121.7012 55.3751 17.9685 179.8548 27 T 3.7849 7.9791 113.6523 66.8208 68.3107 176.1510 28 N 4.4586 8.2561 118.9536 56.7566 38.8946 177.0438 29 I 3.9164 7.9786 121.3218 64.1403 37.3139 178.4126 30 K 3.8573 8.3383 119.6805 59.2157 31.5958 179.1283 31 K 4.1168 7.6655 116.6305 58.3498 31.9656 177.1895 32 H 4.7994 8.1996 114.4963 55.2824 29.6341 173.9160 33 L 4.4575 7.1370 119.2726 51.8398 43.8783 174.6828 34 P 4.6743 0.0000 0.0000 61.8661 31.9136 177.2888 35 E 3.9372 8.9855 122.7977 59.4537 29.4752 178.0806 36 D 4.4338 7.9999 116.5016 55.1838 39.7474 176.3917 37 V 3.7139 7.6400 121.1355 62.2602 31.8602 174.7678 38 D 4.4980 8.6939 127.5363 53.6409 41.5214 176.5657 39 I 3.6748 8.4592 126.8437 64.0325 37.8053 177.7799 40 R 3.9327 8.3841 119.0268 58.9697 29.7708 178.6391 41 D 4.2658 8.2775 119.2812 57.1703 40.7833 178.5557 42 L 4.0551 7.9117 118.9259 58.0637 41.6500 179.4831 43 I 3.7030 7.9584 119.7211 64.4106 37.0342 178.4427 44 S 3.9985 8.2410 116.1581 62.1410 62.6750 176.6116 45 Y 4.0081 8.1324 119.2216 60.8948 37.5591 178.8872 46 G 3.6254 8.5120 107.2352 47.6609 0.0000 175.9965 47 V 3.6621 8.1161 120.8135 65.7083 31.5532 178.1711 48 I 3.7521 7.6378 119.3428 64.3602 36.9763 178.5215 49 G 3.6657 8.2811 106.5853 47.6940 0.0000 175.4050 50 L 3.9272 7.8663 122.6828 58.0297 42.2663 179.1839 51 I 3.7577 7.9788 119.8778 64.3460 37.0067 178.6356 52 K 4.0218 8.1944 119.1762 59.3509 31.6351 179.3147 53 A 4.1321 7.8552 120.2631 55.1474 18.3462 179.5369 54 V 3.7390 7.7162 115.8901 66.2666 31.6696 177.7607 55 D 4.6209 8.0878 119.9979 57.3726 40.8161 177.8512 56 N 4.8856 8.0714 118.3903 53.8853 39.5015 176.4578 57 L 4.9123 7.3278 122.4451 54.6371 44.1602 176.1949 58 S 4.6281 8.0812 115.9139 59.2476 68.4014 174.9783 59 T 4.0287 7.9522 120.7503 64.2355 68.6496 175.0338 60 E 4.7522 8.5981 122.6075 56.1746 30.7967 173.4088 61 N 4.9972 7.4149 112.6305 58.8150 39.3918 176.8678 62 P 3.7751 0.0000 0.0000 65.2563 33.2914 179.3503 63 K 4.0824 7.8522 122.5396 59.9573 31.4942 181.2274 64 R 4.2449 9.4548 118.5906 58.9911 29.9941 178.9274 65 A 4.0307 7.8571 120.3035 55.0558 18.4886 179.1129 66 E 3.5883 8.6515 118.0564 59.3914 29.7667 178.9153 67 A 4.1371 8.0772 120.8339 55.1853 18.3510 179.1005 68 Y 4.0456 8.1048 118.1577 60.8356 38.9614 177.7881 69 I 3.4261 8.0334 121.2021 64.3547 37.1959 178.1890 70 K 3.8643 8.3079 120.6012 59.4294 31.9786 178.5257 71 L 3.9386 7.7213 120.5246 58.2896 41.9595 179.2404 72 R 3.8363 7.7848 118.0425 58.9332 29.8601 179.1673 73 I 3.6768 7.7157 119.7036 64.4036 37.1253 178.5453 74 K 4.1178 8.0954 119.4247 59.4101 31.8008 179.6312 75 G 3.6738 8.2931 105.7235 47.9289 0.0000 175.6788 76 A 4.0855 8.3937 123.8239 54.7072 18.2647 179.9232 77 I 3.7589 7.8270 118.5326 64.8655 37.1722 178.3090 78 Y 4.1154 8.3977 117.8996 60.8658 37.3824 178.1370 79 D 4.3996 8.2607 119.7431 57.5108 41.3327 177.9139 80 Y 4.0261 7.7777 119.5296 60.6205 38.8622 177.6964 81 L 3.7168 8.0486 120.0768 57.6086 41.4781 179.3598 82 R 4.1499 8.2566 118.2191 58.5645 30.1395 177.7952 83 S 4.3620 7.5184 111.9198 59.9289 63.6699 174.1101 84 L 4.2991 7.3678 122.7301 54.0561 43.2881 175.8628 85 D 4.7761 7.9400 117.8606 54.0826 39.8365 178.7421 86 F 4.1862 8.2665 121.0903 61.4050 39.0211 176.4942 87 G 3.9864 8.0436 106.6853 45.3378 0.0000 174.2839 88 S 4.3628 7.7249 118.4903 58.7026 64.7501 176.1219 89 R 4.0189 8.5701 126.8441 62.2941 29.2433 180.7010 90 Q 4.2063 8.0657 120.8154 60.1647 28.0759 181.1584 91 V 3.8790 7.6169 121.0767 66.6689 31.5022 179.1404 92 R 4.0953 7.9863 122.7640 61.8068 29.1896 181.2160 93 E 4.2269 8.5022 118.4673 61.3018 29.7280 182.4284 94 K 4.2085 8.1509 119.9210 59.1559 32.0573 179.0596 95 E 4.0391 8.3865 122.1665 59.7977 29.5196 179.7852 96 R 4.0105 7.8683 123.2288 62.1649 29.5001 181.3916 97 R 4.1751 7.9965 121.8179 61.4450 29.2951 180.8214 98 I 3.9081 8.0541 120.8238 64.1162 37.0551 178.6208 99 K 3.9567 8.1147 119.2501 59.5190 31.8402 179.1191 100 E 3.9423 8.3028 118.6554 59.4886 29.4758 179.4860 101 V 3.5756 7.9479 118.2634 66.0140 31.5455 178.1130 102 V 3.6410 8.3368 120.6388 66.8153 31.3331 178.4350 103 E 4.0819 8.6493 120.8056 61.7260 29.5893 181.7098 104 K 4.2425 8.4922 125.0290 59.7149 31.7523 181.3269 105 L 4.3774 8.2664 122.4602 57.7123 41.5508 180.3204 106 K 4.4937 8.0729 125.2822 59.3731 31.4585 182.5338 107 E 4.1468 7.7128 118.5141 59.1453 29.5598 179.2313 108 K 4.0397 7.7804 117.5396 58.5908 32.2417 177.5811 109 L 4.6394 8.0595 117.2962 53.4097 43.0431 178.2569 110 G 4.0677 8.4837 106.4224 45.3816 0.0000 172.7591 111 R 4.6732 7.3051 113.8746 53.8821 32.8291 173.6151 112 E 4.3193 8.5182 118.6080 55.2105 30.1175 174.6176 113 P 4.6117 0.0000 0.0000 62.5726 32.3546 176.4445 114 T 4.4676 8.3141 111.3439 60.8619 71.5950 175.7816 115 D 4.4207 8.5024 120.7130 57.4830 40.8669 178.8755 116 E 3.9209 8.1251 118.8012 59.3785 29.5602 179.0125 117 E 4.0457 8.1297 118.7169 58.9861 29.2228 179.5488 118 V 3.5406 7.7604 118.3358 65.9867 31.6162 178.0226 119 A 4.0132 8.2825 123.0987 55.4551 18.2027 180.5233 120 K 3.9134 7.8690 121.8430 60.1301 31.7124 182.2345 121 E 4.2739 7.9278 118.2474 58.4287 29.3655 178.6689 122 L 4.3706 7.4738 117.6764 54.2538 42.3104 176.6451 123 G 3.7877 8.2832 106.4059 46.2603 0.0000 172.9058 124 I 4.6483 7.6949 111.2553 57.6692 41.2325 175.0900 125 S 4.4388 8.1967 116.0775 57.9131 65.2077 175.1628 126 T 3.6174 8.2571 115.0393 65.1360 68.4744 177.2394 127 E 4.0306 7.9128 121.0380 60.9419 29.8405 182.3933 128 E 4.1290 7.9850 120.0053 58.8579 29.5800 178.7831 129 L 3.8672 7.5914 120.3079 58.3094 42.3547 178.8775 130 F 4.6759 8.2354 120.5716 61.1977 38.7512 178.5882 131 K 4.0862 8.2262 123.2628 60.1938 31.5945 181.6989 132 T 4.1305 7.9187 117.4495 66.6465 68.4313 176.7668 133 L 4.1298 8.4562 121.0009 57.8152 41.2230 179.4115 134 D 4.4897 8.1005 118.6791 57.2195 40.7863 178.9104 135 K 4.5316 8.4612 119.1549 59.5315 31.7323 179.3931 136 I 3.7507 8.0948 120.0980 64.7651 37.0203 178.2859 137 N 4.6961 8.5040 117.1337 56.4389 38.3403 177.3087 138 F 4.0754 8.5902 122.2216 60.9967 39.3892 177.4101 139 S 4.0544 8.1228 115.1769 61.7877 62.6043 176.2058 140 Y 4.1642 7.5406 117.7924 60.5755 37.5117 178.3325 141 I 3.6579 7.2711 121.1465 64.0095 37.1709 178.2324 142 L 3.6353 7.6392 120.1392 57.9107 41.4159 179.6470 143 S 4.0463 7.8409 114.8940 61.7157 62.9043 176.7495 144 L 3.9458 7.8675 122.7421 57.8640 41.7387 178.5913 145 E 3.7950 8.1017 119.7355 59.0550 29.5735 178.4317 146 E 3.8642 8.0877 118.7254 59.3233 29.3747 179.6694 147 V 3.1533 7.1732 117.4840 66.0219 31.6817 178.2145 148 F 3.8247 7.8400 117.0524 60.3598 38.6731 177.7102 149 R 3.8912 8.3461 118.9828 59.2083 29.9827 178.1516 150 D 4.2779 7.5879 118.5116 57.2745 40.7771 178.8900 151 F 4.5762 7.4520 117.5811 60.7167 38.9736 177.5861 152 A 2.5800 7.9117 120.3323 54.6533 17.8621 179.6028 153 R 3.7574 8.1945 116.5333 59.2566 30.1099 178.2501 154 D 4.5379 7.4833 117.7163 57.1036 41.2689 178.2734 155 Y 4.3304 7.8728 117.1636 59.1651 38.4041 177.1028 156 S 4.5550 8.1438 116.4164 60.0681 63.4106 175.5787 157 E 4.4734 7.8239 119.7049 58.6966 30.6065 182.5299 158 L 4.6467 7.6161 116.6606 57.4203 42.7517 178.3975 159 I 4.2973 8.0877 114.5902 62.9391 36.9355 176.3558 160 P 4.2502 0.0000 0.0000 64.7650 31.3087 176.9440 161 S 4.6544 8.0002 111.6418 57.6082 63.2358 173.6544 162 S 4.8554 7.7196 116.2533 57.1705 65.2069 173.5989 163 T 4.6569 8.6304 112.6379 60.7696 71.2909 175.6002 164 N 4.3866 8.5747 118.8286 56.4701 38.5336 178.0388 165 V 3.6479 7.6873 120.0798 64.8901 31.5123 178.2326 166 E 3.9754 8.0729 118.9420 58.8503 29.2571 178.8052 167 E 3.9319 8.8053 122.3447 60.0232 29.7016 179.3623 168 E 4.0161 8.2527 118.2688 61.0183 29.6925 181.1994 169 V 3.7359 7.5314 118.1977 66.0578 31.3083 178.1992 170 I 3.7209 8.0590 122.2814 65.0008 36.9168 179.2648 171 K 3.8604 8.3683 124.8800 59.7823 31.5324 181.3174 172 R 4.3171 8.1322 123.0839 59.2095 29.7871 179.6890 173 E 3.9725 8.2175 118.2355 60.6107 29.7105 181.8271 174 L 3.9392 7.4275 120.1074 58.3756 42.1021 179.0560 175 T 3.8851 7.9234 109.8197 65.0441 68.7366 176.3034 176 E 3.9407 8.2935 121.4206 58.7220 29.5799 179.2143 177 K 3.9182 7.7635 120.0111 59.2740 32.1260 179.1183 178 V 3.7241 7.7324 118.5404 65.6149 31.6083 177.9709 179 K 3.9074 8.3278 119.7287 59.1882 31.7248 178.5114 180 E 3.8837 7.8842 118.6383 59.1436 29.9014 178.3738 181 A 4.1055 7.5654 119.7845 55.1361 18.4729 179.6527 182 V 3.5390 8.0325 117.2470 66.2067 31.3633 178.3405 183 S 4.2525 7.8265 112.2496 60.6116 62.6046 174.8018 184 K 4.4835 7.5572 120.9394 56.2172 32.0807 176.0201 185 L 4.7137 7.2577 118.1397 52.4309 43.6197 175.6528 186 P 4.5152 0.0000 0.0000 62.7339 33.3920 178.0435 187 E 3.9588 8.8499 120.4159 61.6274 29.5771 180.2541 188 R 4.0904 7.8978 118.9974 59.2907 30.2017 178.3600 189 E 3.9530 8.0786 117.8634 59.2886 29.5221 178.9470 190 K 3.9954 8.3181 119.9856 59.5136 32.2097 178.4842 191 L 3.9508 8.0154 120.5135 58.1650 42.0078 179.1712 192 V 3.6390 7.8032 118.0496 66.0552 31.4113 178.0961 193 I 3.9917 8.2405 120.0631 64.4169 36.8810 178.2482 194 Q 4.1119 8.4458 120.5856 59.3366 28.8363 178.3017 195 L 4.0750 8.0954 120.0063 57.5786 41.6118 179.6697 196 I 4.1173 7.8721 121.2144 63.4307 37.0108 177.8649 197 F 4.5350 8.4791 116.7414 59.3839 39.6676 177.3091 198 Y 4.3771 8.1141 117.8034 60.1744 39.0279 176.4672 199 E 4.0299 8.4718 117.0904 55.6342 30.9297 175.8267 200 E 4.1358 8.0195 116.6640 56.7344 26.9045 174.4069 201 L 4.6584 7.3497 118.2524 51.9509 44.8746 175.7703 202 P 4.4686 0.0000 0.0000 61.9596 33.3267 177.3525 203 A 4.0135 8.5000 123.3206 56.0508 18.3029 180.7584 204 K 3.7570 7.8589 121.5996 60.0363 31.8455 181.2491 205 E 4.2789 7.9673 119.0571 59.1007 29.4536 179.3523 206 V 3.6032 7.7001 118.1148 65.7435 31.5231 177.9345 207 A 3.9791 8.1804 120.8454 55.0477 17.8972 179.8176 208 K 3.9623 7.7108 115.6958 59.4531 31.8864 179.7531 209 I 3.7629 7.4006 118.7883 64.3679 37.2527 177.8984 210 L 4.3202 8.0602 118.5240 54.6969 41.8021 177.1931 211 E 3.8414 7.7591 113.8320 57.3183 27.7518 178.5886 212 T 4.7846 7.6597 115.5733 60.7243 70.7308 173.3564 213 S 4.6670 8.2665 115.2259 57.6417 65.8581 174.9300 214 V 3.6461 8.8549 121.7669 66.1264 31.1927 178.3126 215 S 4.1874 8.7498 115.2417 61.5747 62.7415 176.7625 216 R 3.8695 8.1635 121.3108 59.5210 29.9372 178.7909 217 V 3.6536 7.7100 117.5811 66.0060 31.3557 178.2395 218 S 4.2048 8.4172 115.5762 61.4987 62.6206 176.5863 219 Q 4.0105 8.1483 120.4925 59.2938 28.3633 178.5835 220 L 3.9538 7.9156 120.7731 57.1982 41.5710 179.4743 221 K 3.9573 8.2602 119.4180 59.4939 32.1954 178.7401 222 A 3.8265 8.3968 123.9016 55.5864 18.1573 180.4512 223 K 3.7307 8.1875 122.0602 59.7794 31.8381 181.1024 224 A 4.3512 7.8354 123.7509 54.5128 18.3216 179.8235 225 L 4.0471 8.4529 120.3421 58.3359 41.7131 180.3390 226 E 4.0026 8.1471 118.4996 61.1121 29.6189 181.6804 227 R 4.0785 8.0398 119.6332 59.2737 30.1158 178.8190 228 L 3.9460 7.8886 118.3593 58.0709 41.6855 179.7757 229 R 3.9001 7.9653 120.1975 60.0951 30.1909 179.0725 230 E 3.9813 8.0024 117.5052 61.3274 29.5121 180.5909 231 M 4.2369 8.0739 119.1674 58.4619 32.1981 178.7974 232 L 4.1990 7.9965 117.2879 57.3478 41.8799 179.2225 233 S 4.3468 8.1564 116.9220 60.8729 62.8961 175.0916 234 N 4.7103 7.8510 125.7729 54.4292 37.8473 178.8657 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 *0 H 8.54 4.68 0.00 2.95 2.95 0.00 7.19 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.66 4.11 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.16 0.00 2 K 8.32 4.65 0.00 1.63 1.66 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.46 7.81 3 N 8.57 4.59 0.00 2.83 2.71 0.00 0.00 7.22 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.29 0.00 2.25 2.12 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 5 Y 8.19 4.13 0.00 3.05 3.16 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 0.00 0.00 0.00 6 S 8.58 4.00 0.00 4.12 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 7 N 8.07 4.26 0.00 2.87 2.87 0.00 0.00 6.73 7.54 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 8 Q 7.92 3.89 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 9 I 7.45 3.53 1.58 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.02 0.79 0.00 0.00 10 E 8.36 3.90 0.00 1.92 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 2.52 2.46 0.00 11 R 7.91 3.88 0.00 2.01 2.12 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 12 E 8.09 3.95 0.00 2.02 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 2.44 0.00 13 E 8.44 4.01 0.00 2.10 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 2.48 2.43 0.00 14 L 7.72 4.02 0.00 1.97 1.90 1.08 0.95 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 15 I 8.05 3.91 2.03 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 1.44 1.01 0.93 0.00 0.00 16 L 8.31 3.92 0.00 1.96 1.77 0.91 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.12 3.70 0.00 1.69 1.74 0.00 1.65 0.00 0.00 1.29 0.00 0.00 2.65 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.52 1.15 7.81 18 Y 7.67 4.56 0.00 3.12 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 19 L 7.75 4.04 0.00 1.76 1.74 0.93 1.41 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 20 P 0.00 4.31 0.00 2.15 2.09 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 21 L 7.92 4.00 0.00 1.97 2.05 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.74 3.62 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 1.02 0.00 0.00 1.01 0.00 0.00 23 K 8.03 3.89 0.00 2.02 1.93 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.60 7.81 24 A 8.12 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.99 3.71 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 1.49 1.01 0.93 0.00 0.00 26 A 8.16 3.99 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 27 T 7.98 3.78 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 1.20 0.00 0.00 28 N 8.26 4.46 0.00 2.88 2.96 0.00 0.00 7.28 7.12 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 29 I 7.98 3.92 1.80 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.57 0.80 0.00 0.00 30 K 8.34 3.86 0.00 1.89 1.83 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.61 7.81 31 K 7.67 4.12 0.00 1.78 1.70 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.63 7.81 32 H 8.20 4.80 0.00 3.40 3.51 0.00 5.63 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.14 4.46 0.00 1.48 1.39 0.64 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.67 0.00 2.51 2.03 0.00 3.95 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 2.31 2.27 0.00 35 E 8.99 3.94 0.00 1.94 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 2.31 2.33 0.00 36 D 8.00 4.43 0.00 2.83 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 37 V 7.64 3.71 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 0.78 0.00 0.00 0.98 0.00 0.00 38 D 8.69 4.50 0.00 2.74 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 39 I 8.46 3.67 1.86 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 1.63 1.41 0.90 0.00 0.00 40 R 8.38 3.93 0.00 2.00 1.93 0.00 3.16 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 41 D 8.28 4.27 0.00 2.93 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.91 4.06 0.00 1.95 1.72 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.96 3.70 1.85 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 1.52 0.89 0.89 0.00 0.00 44 S 8.24 4.00 0.00 3.84 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.13 4.01 0.00 2.92 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 46 G 8.51 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 47 V 8.12 3.66 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.96 0.00 0.00 48 I 7.64 3.75 2.01 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.66 0.91 0.00 0.00 49 G 8.28 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 50 L 7.87 3.93 0.00 1.85 1.88 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.98 3.76 1.99 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 1.53 1.16 0.92 0.00 0.00 52 K 8.19 4.02 0.00 1.97 1.88 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.59 7.81 53 A 7.86 4.13 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 54 V 7.72 3.74 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 0.91 0.00 0.00 1.00 0.00 0.00 55 D 8.09 4.62 0.00 2.90 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 56 N 8.07 4.89 0.00 2.84 2.68 0.00 0.00 6.89 7.94 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 57 L 7.33 4.91 0.00 1.93 1.63 1.00 0.97 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 58 S 8.08 4.63 0.00 3.80 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 59 T 7.95 4.03 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 1.20 0.00 0.00 60 E 8.60 4.75 0.00 1.96 1.79 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 2.13 1.86 0.00 61 N 7.41 5.00 0.00 2.71 2.77 0.00 0.00 7.12 8.03 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 62 P 0.00 3.78 0.00 2.27 2.36 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 63 K 7.85 4.08 0.00 1.76 1.83 0.00 1.79 0.00 0.00 1.82 0.00 0.00 3.10 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.11 7.81 64 R 9.45 4.24 0.00 2.00 2.02 0.00 3.10 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 65 A 7.86 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.65 3.59 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 67 A 8.08 4.14 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 68 Y 8.10 4.05 0.00 3.18 3.16 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 0.00 0.00 0.00 69 I 8.03 3.43 1.58 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.11 0.60 0.00 0.00 70 K 8.31 3.86 0.00 1.86 1.95 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.48 7.81 71 L 7.72 3.94 0.00 1.96 1.72 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 72 R 7.78 3.84 0.00 1.59 1.79 0.00 3.11 0.00 0.00 2.92 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.12 0.00 73 I 7.72 3.68 2.00 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 1.68 0.69 0.92 0.00 0.00 74 K 8.10 4.12 0.00 2.06 2.14 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.72 7.81 75 G 8.29 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 76 A 8.39 4.09 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 77 I 7.83 3.76 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.76 0.74 0.00 0.00 78 Y 8.40 4.12 0.00 3.08 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 79 D 8.26 4.40 0.00 2.94 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 80 Y 7.78 4.03 0.00 1.87 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.05 3.72 0.00 1.84 1.88 0.77 0.89 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 82 R 8.26 4.15 0.00 1.93 2.02 0.00 3.26 0.00 0.00 3.26 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 83 S 7.52 4.36 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 84 L 7.37 4.30 0.00 1.87 1.31 0.57 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.94 4.78 0.00 2.70 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 86 F 8.27 4.19 0.00 3.15 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 87 G 8.04 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 0.00 0.00 0.00 88 S 7.72 4.36 0.00 3.99 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 89 R 8.57 4.02 0.00 1.84 1.98 0.00 3.26 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 90 Q 8.07 4.21 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.89 0.00 0.00 0.00 0.00 0.00 2.37 1.99 0.00 91 V 7.62 3.88 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 0.93 0.00 0.00 92 R 7.99 4.10 0.00 1.81 1.92 0.00 3.32 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 93 E 8.50 4.23 0.00 1.95 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 2.24 2.22 0.00 94 K 8.15 4.21 0.00 1.99 1.92 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.62 7.81 95 E 8.39 4.04 0.00 2.14 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 0.00 2.40 2.44 0.00 96 R 7.87 4.01 0.00 1.81 1.92 0.00 3.34 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 97 R 8.00 4.18 0.00 1.82 1.99 0.00 3.24 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 98 I 8.05 3.91 2.08 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 1.54 0.59 0.95 0.00 0.00 99 K 8.11 3.96 0.00 1.99 1.88 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.72 7.81 100 E 8.30 3.94 0.00 2.21 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 2.49 0.00 101 V 7.95 3.58 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.95 0.00 0.00 102 V 8.34 3.64 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 0.95 0.00 0.00 1.02 0.00 0.00 103 E 8.65 4.08 0.00 1.99 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 2.24 2.20 0.00 104 K 8.49 4.24 0.00 1.73 1.85 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 105 L 8.27 4.38 0.00 1.99 1.74 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.07 4.49 0.00 1.77 1.82 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.21 7.81 107 E 7.71 4.15 0.00 1.90 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 2.35 2.32 0.00 108 K 7.78 4.04 0.00 1.81 1.95 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 109 L 8.06 4.64 0.00 1.77 1.65 0.93 1.01 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 0.00 110 G 8.48 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.31 4.67 0.00 1.99 2.02 0.00 2.78 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 112 E 8.52 4.32 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 113 P 0.00 4.61 0.00 2.09 1.97 0.00 3.73 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 2.03 2.08 0.00 114 T 8.31 4.47 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 115 D 8.50 4.42 0.00 2.83 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.13 3.92 0.00 1.97 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 2.41 2.35 0.00 117 E 8.13 4.05 0.00 2.19 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 2.33 2.31 0.00 118 V 7.76 3.54 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.99 0.00 0.00 119 A 8.28 4.01 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 0.00 120 K 7.87 3.91 0.00 1.79 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 121 E 7.93 4.27 0.00 1.96 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 2.34 2.50 0.00 122 L 7.47 4.37 0.00 1.75 1.70 0.95 0.83 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 0.00 123 G 8.28 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 0.00 124 I 7.69 4.65 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 1.45 0.69 0.89 0.00 0.00 125 S 8.20 4.44 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.26 3.62 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 127 E 7.91 4.03 0.00 2.00 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 2.31 1.93 0.00 128 E 7.98 4.13 0.00 2.07 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 2.28 2.34 0.00 129 L 7.59 3.87 0.00 1.67 1.47 0.92 0.93 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 F 8.24 4.68 0.00 3.22 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 0.00 131 K 8.23 4.09 0.00 1.78 1.81 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 132 T 7.92 4.13 4.41 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 1.25 0.00 0.00 133 L 8.46 4.13 0.00 1.82 1.83 1.09 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.10 4.49 0.00 3.06 2.86 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 0.00 0.00 0.00 135 K 8.46 4.53 0.00 2.08 2.06 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.64 1.76 7.81 136 I 8.09 3.75 2.16 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 1.61 1.36 1.20 0.00 0.00 137 N 8.50 4.70 0.00 3.08 3.03 0.00 0.00 6.77 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.59 4.08 0.00 3.15 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 0.00 139 S 8.12 4.05 0.00 3.76 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 Y 7.54 4.16 0.00 3.22 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 0.00 141 I 7.27 3.66 1.32 0.00 0.00 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 1.61 0.75 0.56 0.00 0.00 142 L 7.64 3.64 0.00 1.60 1.57 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 143 S 7.84 4.05 0.00 3.85 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 0.00 144 L 7.87 3.95 0.00 1.88 1.76 0.99 0.89 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 0.00 145 E 8.10 3.80 0.00 1.62 1.71 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 1.71 1.47 0.00 146 E 8.09 3.86 0.00 2.19 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 2.26 2.23 0.00 147 V 7.17 3.15 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 0.40 0.00 0.00 0.82 0.00 0.00 148 F 7.84 3.82 0.00 3.14 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 R 8.35 3.89 0.00 2.00 1.94 0.00 3.05 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 150 D 7.59 4.28 0.00 2.56 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 0.00 151 F 7.45 4.58 0.00 3.23 3.11 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 0.00 152 A 7.91 2.58 1.15 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 0.00 0.00 153 R 8.19 3.76 0.00 1.82 2.09 0.00 3.22 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 154 D 7.48 4.54 0.00 3.04 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 0.00 155 Y 7.87 4.33 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 0.00 156 S 8.14 4.56 0.00 4.19 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 0.00 157 E 7.82 4.47 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 158 L 7.62 4.65 0.00 1.80 1.76 1.04 0.84 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 0.00 159 I 8.09 4.30 1.90 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 1.36 1.10 0.99 0.00 0.00 160 P 0.00 4.25 0.00 2.15 2.15 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 161 S 8.00 4.65 0.00 4.00 3.96 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 0.00 162 S 7.72 4.86 0.00 4.03 4.14 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 0.00 163 T 8.63 4.66 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 164 N 8.57 4.39 0.00 2.75 2.91 0.00 0.00 6.55 7.68 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 0.00 165 V 7.69 3.65 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 0.83 0.00 0.00 0.92 0.00 0.00 166 E 8.07 3.98 0.00 2.17 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 2.32 2.30 0.00 167 E 8.81 3.93 0.00 2.06 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 2.26 2.29 0.00 168 E 8.25 4.02 0.00 2.03 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 2.25 2.19 0.00 169 V 7.53 3.74 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 0.94 0.00 0.00 0.99 0.00 0.00 170 I 8.06 3.72 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 1.37 0.82 0.85 0.00 0.00 171 K 8.37 3.86 0.00 1.72 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 172 R 8.13 4.32 0.00 2.04 1.97 0.00 3.08 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.47 0.00 173 E 8.22 3.97 0.00 1.99 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 2.24 2.19 0.00 174 L 7.43 3.94 0.00 1.62 1.77 0.78 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 175 T 7.92 3.89 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 1.23 0.00 0.00 176 E 8.29 3.94 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 177 K 7.76 3.92 0.00 1.80 1.72 0.00 1.08 0.00 0.00 1.38 0.00 0.00 2.66 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.32 7.81 178 V 7.73 3.72 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 1.11 0.00 0.00 1.08 0.00 0.00 179 K 8.33 3.91 0.00 1.95 1.94 0.00 1.83 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.43 7.81 180 E 7.88 3.88 0.00 2.11 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 2.30 2.35 0.00 181 A 7.57 4.11 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 0.00 182 V 8.03 3.54 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 1.03 0.00 0.00 0.95 0.00 0.00 183 S 7.83 4.25 0.00 4.09 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 0.00 184 K 7.56 4.48 0.00 1.90 1.84 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.52 7.81 185 L 7.26 4.71 0.00 1.67 1.57 0.95 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 186 P 0.00 4.52 0.00 2.15 1.96 0.00 3.77 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 2.23 2.13 0.00 187 E 8.85 3.96 0.00 1.97 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 1.97 0.00 188 R 7.90 4.09 0.00 1.92 1.95 0.00 3.20 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 189 E 8.08 3.95 0.00 2.19 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 2.36 0.00 190 K 8.32 4.00 0.00 1.89 1.97 0.00 1.63 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.45 7.81 191 L 8.02 3.95 0.00 1.88 1.93 0.94 0.72 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 0.00 192 V 7.80 3.64 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 1.02 0.00 0.00 0.95 0.00 0.00 193 I 8.24 3.99 2.08 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 1.70 0.84 0.99 0.00 0.00 194 Q 8.45 4.11 0.00 2.15 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 195 L 8.10 4.08 0.00 1.92 1.72 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 196 I 7.87 4.12 1.96 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 1.62 2.09 0.18 0.00 0.00 197 F 8.48 4.53 0.00 3.11 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 0.00 198 Y 8.11 4.38 0.00 2.99 3.28 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 0.00 199 E 8.47 4.03 0.00 2.18 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 2.64 2.56 0.00 200 E 8.02 4.14 0.00 2.04 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 2.22 0.00 201 L 7.35 4.66 0.00 1.73 1.48 0.90 0.99 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 0.00 202 P 0.00 4.47 0.00 2.05 1.86 0.00 3.53 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 2.03 2.04 0.00 203 A 8.50 4.01 1.26 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 0.00 0.00 204 K 7.86 3.76 0.00 1.77 1.84 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.11 7.81 205 E 7.97 4.28 0.00 2.03 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 2.33 2.25 0.00 206 V 7.70 3.60 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 1.08 0.00 0.00 0.97 0.00 0.00 207 A 8.18 3.98 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 0.00 0.00 208 K 7.71 3.96 0.00 2.01 1.85 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.56 7.81 209 I 7.40 3.76 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.66 0.92 0.00 0.00 210 L 8.06 4.32 0.00 1.62 1.71 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 211 E 7.76 3.84 0.00 2.12 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 2.16 2.10 0.00 212 T 7.66 4.78 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 213 S 8.27 4.67 0.00 4.37 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 0.00 214 V 8.85 3.65 2.49 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 1.01 0.00 0.00 0.79 0.00 0.00 215 S 8.75 4.19 0.00 3.96 3.96 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 0.00 216 R 8.16 3.87 0.00 2.12 2.12 0.00 3.16 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 217 V 7.71 3.65 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 0.98 0.00 0.00 0.98 0.00 0.00 218 S 8.42 4.20 0.00 4.16 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 0.00 219 Q 8.15 4.01 0.00 2.31 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.40 0.00 220 L 7.92 3.95 0.00 1.94 1.77 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 221 K 8.26 3.96 0.00 1.97 2.00 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.61 7.81 222 A 8.40 3.83 1.20 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 0.00 0.00 0.00 223 K 8.19 3.73 0.00 1.77 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.33 7.81 224 A 7.84 4.35 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 0.00 225 L 8.45 4.05 0.00 1.76 1.79 1.10 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 226 E 8.15 4.00 0.00 1.97 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 2.24 2.22 0.00 227 R 8.04 4.08 0.00 1.99 2.00 0.00 3.10 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 228 L 7.89 3.95 0.00 1.84 1.76 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 229 R 7.97 3.90 0.00 1.89 2.08 0.00 3.08 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 230 E 8.00 3.98 0.00 2.04 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 2.24 2.22 0.00 231 M 8.07 4.24 0.00 1.94 2.29 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.86 0.00 232 L 8.00 4.20 0.00 1.58 1.76 0.77 1.14 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 0.00 233 S 8.16 4.35 0.00 4.04 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 0.00 234 N 7.85 4.71 0.00 2.85 2.56 0.00 0.00 6.86 6.84 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 * Residues marked with a * may have inaccurate shift predictions.