NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *13 H 4.7316 8.4449 117.3728 54.3223 29.3566 172.8018 14 S 4.2465 8.3187 121.5312 54.6417 64.5246 172.6167 15 P 3.4274 0.0000 0.0000 61.1994 29.8526 174.4345 16 A 4.6679 6.3196 121.8844 50.3690 23.0127 177.0415 17 S 4.4200 9.1470 115.9958 58.9529 62.6352 174.9160 18 G 2.9652 8.8723 114.4227 45.3551 0.0000 173.2593 19 R 3.7863 7.6905 118.5371 57.3702 28.2759 178.1989 20 Y 4.0719 7.7559 115.9072 61.1488 38.4078 178.2387 21 I 3.8915 8.4291 120.3457 64.5066 37.6169 177.1836 22 Q 4.0826 8.2916 120.8111 59.4028 29.1781 178.9619 23 Q 4.2152 8.0756 114.0660 56.6714 28.4409 178.3252 *25 L 4.1424 8.0377 120.2274 54.9861 43.7882 179.0191 26 D 4.3757 8.2774 118.3267 57.5776 40.6944 178.9341 27 Q 4.3035 7.9972 119.7760 58.4226 28.6294 178.8087 28 R 3.8982 7.8995 119.2985 59.6345 30.1427 179.1075 29 C 4.3198 8.5116 116.6278 60.0553 37.0419 176.0840 30 Q 3.9444 8.3526 119.8763 58.8702 28.2068 178.4819 31 E 3.9548 8.2391 120.3315 59.2902 29.6135 178.9483 32 I 3.9155 8.2528 121.0647 63.7909 37.1086 178.0810 33 A 3.9642 8.3620 121.7681 55.3378 18.1799 179.5562 34 A 3.9517 7.9716 118.9715 55.2852 17.8799 179.7786 35 E 3.9082 8.4641 117.2928 59.5604 29.5805 179.5189 36 L 4.0131 8.1994 119.3170 57.7934 41.5615 178.6284 37 C 4.3810 8.5149 118.7709 60.0823 43.3807 175.8710 38 Q 3.7899 7.8644 117.8543 58.6675 28.3391 178.1162 39 S 4.4331 7.7388 114.1191 58.8344 63.1521 174.8778 40 G 3.9620 8.0838 110.2997 44.9718 0.0000 174.5306 41 L 4.2198 7.6655 121.8711 53.9530 40.5809 176.2285 42 R 4.1033 8.5375 124.6020 58.8654 30.4157 180.1503 43 K 4.1704 7.7044 117.6586 56.5026 31.2811 178.8175 *45 C 4.5235 7.8839 116.2264 58.0993 40.4573 173.7271 46 V 4.6598 7.5648 115.1355 58.2738 35.8502 173.7279 47 P 4.5000 0.0000 0.0000 62.6226 32.0550 177.6243 48 S 4.1684 8.7217 115.8346 61.7175 62.8988 177.0245 49 S 4.2449 8.0636 113.5310 60.7088 62.9436 175.0530 50 R 4.3763 8.1254 118.6789 55.9095 30.3277 175.4156 51 I 5.1918 7.7376 119.3839 59.5678 39.7284 175.4188 52 V 4.7909 8.8423 118.8678 59.4558 36.3608 174.2733 53 A 5.1940 9.2446 125.1557 51.4621 19.7555 177.2816 54 R 4.9894 9.6111 120.8116 54.4822 35.2646 173.8793 55 N 4.7444 8.3517 121.1305 52.3789 40.3306 173.6579 56 A 4.4947 8.3499 126.6672 51.1327 23.6119 175.3473 57 V 4.3530 7.9630 112.9644 60.6241 32.3435 177.6760 58 G 4.1350 8.6231 111.5516 45.6715 0.0000 173.4091 59 I 4.2726 8.9825 119.5065 59.7636 38.8306 175.3959 60 T 3.9047 7.8641 116.7831 65.9674 68.4259 174.9098 61 H 4.4599 8.8724 120.8604 56.3678 27.5591 175.9352 62 Q 4.3677 8.0033 120.3802 54.7028 26.8895 175.5436 63 N 4.8477 8.1815 114.6996 53.0111 39.4299 175.0170 64 T 4.6038 7.3205 109.2908 59.7369 71.8391 173.8988 65 L 4.4704 8.3098 123.3221 55.0989 42.1407 176.4351 66 Q 4.5541 8.9159 122.2897 53.5413 33.8579 174.4785 67 W 5.0016 9.0249 121.1520 56.8787 30.3507 175.7400 68 R 5.0148 9.3975 122.9320 54.7285 34.7567 173.8639 69 C 5.1017 9.2775 120.4452 56.1609 41.9621 172.6102 70 F 5.2107 9.3106 124.0687 55.6554 41.2937 175.0956 71 D 5.1444 9.0976 123.7724 54.0129 41.0284 177.0808 72 T 3.8405 9.4066 118.1570 64.6943 68.8397 176.2884 73 A 4.1364 8.3021 124.2488 54.1591 18.4045 177.9783 74 S 4.6085 7.9841 108.9295 58.3178 63.9014 174.6991 75 L 4.3723 7.4203 121.5491 54.4089 42.3339 176.7290 76 L 4.3800 8.8560 124.4915 54.6425 42.5346 178.9307 77 E 4.1008 8.7098 118.8588 59.1329 30.0243 178.9412 78 S 4.4663 8.0769 113.4280 58.4570 66.1846 177.7831 79 N 3.5384 7.5968 117.1191 48.0675 40.3144 174.6738 *83 N 4.6892 8.2634 110.9399 53.8116 39.4079 174.8528 84 G 3.9870 8.2503 105.6519 47.2210 0.0000 173.8159 85 V 4.4363 7.8650 112.6885 59.5233 34.5365 174.8905 86 N 5.2529 8.4655 119.8675 51.8893 42.2259 173.6981 87 C 5.0807 8.7834 120.6471 55.2798 43.5314 172.5327 88 V 5.3076 8.3643 118.8068 60.3311 33.7345 175.9053 89 D 4.8967 9.1755 123.8847 52.7459 40.6368 176.3749 90 D 4.8787 8.6524 116.6842 55.3954 40.7305 177.8065 91 C 4.7638 8.5739 115.5686 56.5767 40.6352 174.3035 92 G 3.9528 8.4597 107.6025 46.0510 0.0000 172.9675 93 H 5.0511 8.7711 117.7160 54.3352 30.5917 174.5334 94 T 4.8609 8.5803 113.5829 61.4087 70.1083 174.1929 95 I 4.7352 8.9009 125.5726 58.7100 42.0603 172.8024 96 P 4.7329 0.0000 0.0000 63.8515 32.0789 176.0723 97 C 5.3773 8.7075 121.2629 53.9637 43.5689 172.2403 98 P 4.2077 0.0000 0.0000 63.8413 30.9837 175.7415 99 G 3.8283 8.8068 107.7187 44.2895 0.0000 172.2758 100 G 4.1163 8.5390 104.7914 44.4187 0.0000 172.1727 101 V 4.1967 8.5629 122.0675 62.3616 32.7921 175.2756 102 H 4.5858 8.8572 127.9356 55.1890 30.1401 175.9338 103 R 4.1357 8.8450 126.2424 58.5082 30.3995 178.7941 104 Q 4.2784 8.3456 115.4925 56.9567 29.8580 176.0543 105 N 4.8051 7.9249 111.4881 52.6078 39.1595 174.6548 106 S 4.1682 7.9832 114.0346 58.5528 62.9822 173.2729 107 N 4.9353 9.0583 126.9432 52.4789 39.6743 172.7989 108 H 5.3194 8.1637 119.7864 54.0633 32.4183 172.6636 109 A 4.5672 8.6634 120.0108 50.2796 21.6966 175.6061 110 T 4.2535 8.6024 119.8789 63.2995 69.2601 176.1555 111 R 4.7127 8.7172 125.8818 55.3555 31.3749 175.7639 112 H 4.4352 8.1756 120.4656 59.3145 31.2341 177.0763 113 E 3.9537 8.3556 118.7598 59.4532 29.4781 178.8843 114 I 3.6700 7.6599 118.0708 64.1376 38.1645 177.7852 115 L 3.8080 7.7395 119.4836 57.7753 41.3942 179.6214 116 S 4.1062 8.1327 115.1937 61.3616 62.7052 176.6907 117 K 3.9366 8.1335 122.3599 59.4745 31.9001 178.9063 118 L 3.9545 7.9239 119.3124 57.5482 41.3819 179.6086 119 V 3.5203 7.6926 118.1443 66.0603 30.9988 177.6385 120 E 3.9719 8.2043 118.2298 59.7327 28.8570 179.3713 121 E 4.0860 8.3788 118.3671 59.4360 29.4657 179.7373 122 G 3.7970 8.3553 105.8321 47.7364 0.0000 175.7046 123 V 3.7070 8.2005 121.0330 66.0956 31.2850 178.0393 124 Q 3.9914 7.4784 115.1998 59.1013 28.7416 179.0418 125 R 3.7595 7.5747 118.0531 58.5283 29.8857 178.2887 126 F 4.8371 8.1262 114.2988 57.4100 40.6847 174.8150 127 C 4.5824 8.2047 121.6767 55.1905 40.2189 173.5971 128 S 4.2402 8.7386 121.9371 58.1683 63.1119 172.9240 129 P 4.4670 0.0000 0.0000 65.7495 31.0142 178.4096 130 Y 3.8782 7.9683 115.3772 61.0122 37.8728 177.8573 131 Q 4.0345 8.1200 120.0881 58.9879 29.1152 177.8558 132 A 4.0525 8.5852 122.2826 55.3413 18.4199 179.5278 133 S 3.9888 8.0951 111.2555 61.4587 62.4794 176.2151 134 A 3.9672 7.8714 123.0727 55.3179 18.0583 179.3694 135 N 4.3931 8.6816 115.4542 56.2753 38.5142 177.6272 136 K 3.9558 8.3797 121.1989 59.5255 32.2017 177.9341 137 Y 4.0666 8.1268 119.8550 61.1518 38.6381 177.7002 138 C 4.3300 8.3440 116.9913 60.1995 36.8241 175.7803 139 N 4.4134 8.6065 118.9679 56.6570 38.2756 176.6422 140 D 4.2547 8.0893 119.9969 57.1383 40.9753 178.2744 141 K 3.8807 7.3645 118.7272 57.4189 33.0613 176.6195 142 F 4.5554 8.4163 118.7031 54.1638 40.1998 171.2987 143 P 4.8137 0.0000 0.0000 63.5287 31.6070 176.9994 144 G 4.0812 9.6827 112.4886 45.2478 0.0000 173.8394 145 T 4.7960 7.5420 109.5775 61.4605 70.1277 174.0267 146 I 4.8573 8.7823 115.3001 59.1426 41.5610 173.7451 147 A 5.6480 9.0129 124.7635 50.6043 20.1824 177.0258 148 R 4.8367 8.9615 119.1186 54.9154 35.3724 174.5087 149 R 4.3256 7.8042 122.9197 55.3997 29.8832 174.8114 150 S 4.4763 8.4532 121.4528 57.2809 65.9517 173.1630 151 K 5.0379 8.1619 117.4868 55.6778 33.4828 177.5376 152 G 4.1222 8.1671 110.4358 45.1822 0.0000 172.4628 153 F 4.5566 9.0260 125.7220 58.1925 40.0604 176.1568 154 G 3.4043 8.2126 117.3262 45.5848 0.0000 173.4909 155 N 4.5718 7.7564 119.6076 52.4736 40.5342 173.4963 156 N 4.8104 8.6841 122.7123 52.7617 37.8905 175.3193 157 V 4.0578 7.7940 117.1130 64.7931 33.2289 175.5026 158 E 4.1418 8.6895 121.6265 56.3471 30.3357 175.5599 159 V 5.3021 8.4465 118.8853 59.2723 34.9232 174.5672 160 A 4.5839 7.9562 122.2425 50.5782 22.9677 175.4865 161 W 4.8238 9.5765 120.8580 56.9776 30.1500 176.0564 162 R 5.1083 9.2790 122.9804 54.6253 34.7369 173.7924 163 C 5.1495 9.3575 119.7290 56.5096 42.8589 172.2639 164 Y 4.9565 9.2669 122.9753 55.9639 40.0213 175.4630 165 E 4.3795 8.8393 124.2057 56.4619 30.2139 178.5153 166 K 3.9798 9.1429 123.7169 59.4627 32.4404 179.0243 167 A 4.0989 8.0724 120.6129 54.4932 18.3512 178.0068 168 S 4.4969 8.0342 108.7334 58.7570 63.8177 174.3871 169 L 4.5795 7.4766 121.3059 53.5027 43.1440 175.7783 170 L 4.7269 8.4024 120.6488 52.9404 43.6726 177.3974 171 Y 4.1104 9.0856 126.4633 60.5544 38.8951 177.8759 172 S 4.1734 8.1556 112.2176 59.5783 63.8872 173.5293 173 V 4.2946 7.0644 123.2601 61.5156 32.7358 174.4238 174 Y 4.6205 8.7403 125.8302 57.8224 38.7995 174.7224 175 A 4.8667 8.9225 123.9057 49.7527 23.6132 174.9402 176 E 4.2036 8.7323 120.4147 56.7447 30.9599 174.7427 177 C 5.7553 9.1235 120.1571 54.0186 46.3375 172.0724 178 A 5.0167 9.5555 121.9128 50.8996 19.3545 177.9481 179 S 3.8839 9.0494 118.7084 57.3643 64.7912 174.5851 180 N 4.8741 8.0514 114.7970 53.7283 36.9869 176.0658 181 C 4.5631 7.6682 114.3465 56.2847 40.9591 173.6524 182 G 3.0097 7.1320 107.5993 46.6681 0.0000 173.4637 183 T 4.7172 7.3677 108.4499 58.8815 72.7946 173.0880 184 T 4.2093 8.5272 117.9684 64.3409 68.8917 173.5715 185 W 5.2830 8.6067 134.3148 56.3390 35.3328 172.6524 186 Y 5.2818 8.1602 118.8878 56.4210 41.3259 174.3220 187 C 5.2415 9.2947 120.0807 54.0217 44.9557 171.9344 188 P 3.3860 0.0000 0.0000 63.7658 31.5673 176.9582 189 G 3.9767 9.0199 110.2691 46.4807 0.0000 172.6093 190 G 4.0353 8.8580 114.0705 44.2675 0.0000 169.1262 191 R 4.7736 7.7995 117.2663 54.4295 32.3700 176.9863 192 R 4.1366 8.4901 118.4645 56.2178 30.8883 177.6799 193 G 4.0326 8.4063 105.6390 46.4434 0.0000 173.7726 194 T 4.1571 7.4989 110.5889 61.0961 70.2206 174.2813 195 S 4.2368 8.0725 115.3592 57.8622 63.3978 174.2376 196 T 4.4259 8.1461 110.7835 59.9724 70.9639 175.4640 197 E 3.9575 8.8735 122.6769 59.5592 29.9401 178.9045 198 L 4.0588 7.6303 118.4770 58.0213 41.4140 178.9112 199 D 4.6645 7.9369 116.6265 56.1149 40.8252 177.7974 200 K 4.2720 7.9530 118.1241 56.7065 33.9957 177.5566 201 R 4.2633 7.8500 121.3358 54.0325 28.2852 174.5857 202 H 4.6491 6.6667 115.5800 54.7321 32.2728 173.9437 203 Y 4.3781 8.3947 115.9207 56.2886 41.2951 175.2050 204 T 4.2936 8.6135 122.1587 63.0620 69.2665 175.6860 205 E 4.8705 8.9650 126.0701 54.1986 30.9673 175.8542 206 E 4.1779 8.4820 125.4974 60.1458 30.2028 179.7115 207 E 4.0405 8.1765 117.7947 61.1241 30.0060 180.9554 208 G 3.5607 7.8089 108.0492 46.8853 0.0000 175.7638 209 I 3.2161 7.4331 122.1803 63.8811 37.0251 178.6822 210 R 3.5772 7.6454 118.8998 59.1975 29.8977 178.9357 211 Q 3.8326 8.0435 119.1085 58.8781 28.7887 178.0414 212 A 3.8950 7.4188 120.8981 55.2102 18.6235 179.4074 213 I 3.8876 7.7685 118.5693 64.5066 36.9954 178.9978 214 G 3.7317 8.1669 105.4690 47.0557 0.0000 175.0785 215 S 4.3434 7.5012 114.2809 58.6381 63.7728 174.5607 216 V 3.6249 6.8514 123.2646 62.2898 31.8303 175.1690 217 D 4.5045 8.2708 127.0939 53.6036 41.4827 176.2958 218 S 4.6688 8.7927 117.9344 57.3361 62.8898 172.5139 219 P 4.4178 0.0000 0.0000 64.4929 31.6153 176.7724 220 C 4.9984 7.8502 116.5725 54.8868 36.9417 173.5031 221 S 4.4769 8.8802 117.3434 57.6708 63.5490 174.8963 222 E 4.2244 8.6479 119.0019 57.9796 29.4392 178.1752 223 V 4.5923 8.0092 118.7419 61.0543 31.7539 174.6232 224 E 5.2057 7.8720 117.9119 55.2130 33.5945 175.0369 225 V 4.2329 8.9538 122.9388 61.5326 33.5516 173.8726 226 C 4.9446 8.8282 128.6186 56.0441 45.1259 172.3742 227 L 4.8652 9.1270 127.9910 52.2100 43.1220 174.7150 228 P 4.7769 0.0000 0.0000 62.7125 32.4759 175.7492 229 K 4.8821 8.6448 119.5999 54.7921 36.0662 176.8323 230 D 4.9648 8.9956 118.4483 54.2311 39.7456 175.5472 231 E 5.0157 7.6883 119.2737 54.9214 33.0270 174.4653 232 N 4.8038 8.8947 122.9679 52.3567 39.5604 173.4168 233 P 4.7409 0.0000 0.0000 61.3451 33.2276 173.4870 234 P 4.5980 0.0000 0.0000 62.0357 33.0732 175.1232 235 L 4.2183 8.7495 122.4130 55.0064 43.1323 174.7858 236 C 5.3095 8.8626 123.9754 55.5257 39.9955 172.9019 237 L 4.7561 8.5993 124.8983 52.7804 43.4821 176.3299 238 D 4.6280 8.7764 122.8180 54.7045 41.2323 176.2594 239 E 4.0976 8.6889 124.5487 56.1931 30.4541 176.5861 240 S 4.2029 8.6216 120.3525 57.9457 63.1131 174.2713 241 G 3.8811 8.3423 116.2430 45.0914 0.0000 174.0891 242 Q 4.2914 8.3215 120.8449 55.8729 27.1049 177.4454 243 I 3.9596 7.3573 118.9908 60.1388 35.5538 177.7048 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 *13 H 8.44 4.73 0.00 2.95 2.96 0.00 7.16 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.32 4.25 0.00 3.76 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 15 P 0.00 3.43 0.00 1.81 2.04 0.00 3.47 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 16 A 6.32 4.67 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.15 4.42 0.00 4.06 3.86 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 18 G 8.87 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 0.00 0.00 0.00 19 R 7.69 3.79 0.00 2.00 2.07 0.00 3.00 0.00 0.00 3.03 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 20 Y 7.76 4.07 0.00 1.47 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 0.00 0.00 0.00 21 I 8.43 3.89 1.94 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.82 0.90 0.00 0.00 22 Q 8.29 4.08 0.00 2.41 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.18 7.16 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 23 Q 8.08 4.22 0.00 2.40 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.16 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 *25 L 8.04 4.14 0.00 1.69 1.47 -0.30 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.28 4.38 0.00 2.87 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.00 4.30 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 28 R 7.90 3.90 0.00 1.89 2.00 0.00 3.22 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 29 C 8.51 4.32 0.00 3.25 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 30 Q 8.35 3.94 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 31 E 8.24 3.95 0.00 2.06 2.10 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 2.31 2.35 0.00 32 I 8.25 3.92 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 1.41 1.19 0.91 0.00 0.00 33 A 8.36 3.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.97 3.95 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 35 E 8.46 3.91 0.00 2.17 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 2.33 2.48 0.00 36 L 8.20 4.01 0.00 1.84 1.71 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 37 C 8.51 4.38 0.00 3.03 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 7.86 3.79 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 39 S 7.74 4.43 0.00 4.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.08 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 0.00 0.00 0.00 41 L 7.67 4.22 0.00 1.61 1.72 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.54 4.10 0.00 1.84 1.99 0.00 3.27 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 43 K 7.70 4.17 0.00 1.86 1.90 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.71 7.81 *45 C 7.88 4.52 0.00 3.11 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.56 4.66 2.10 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 0.77 0.00 0.00 0.95 0.00 0.00 47 P 0.00 4.50 0.00 2.23 2.19 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 48 S 8.72 4.17 0.00 3.92 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 49 S 8.06 4.24 0.00 3.99 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.13 4.38 0.00 2.04 2.17 0.00 3.26 0.00 0.00 3.28 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 51 I 7.74 5.19 1.91 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 1.26 0.91 1.00 0.00 0.00 52 V 8.84 4.79 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 0.76 0.00 0.00 1.02 0.00 0.00 53 A 9.24 5.19 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 9.61 4.99 0.00 1.67 1.63 0.00 3.14 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.46 0.00 55 N 8.35 4.74 0.00 1.44 1.74 0.00 0.00 7.03 7.80 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 56 A 8.35 4.49 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 57 V 7.96 4.35 2.25 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 0.89 0.00 0.00 0.94 0.00 0.00 58 G 8.62 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 0.00 0.00 0.00 59 I 8.98 4.27 1.97 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 1.50 0.82 0.96 0.00 0.00 60 T 7.86 3.90 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 0.99 0.00 0.00 61 H 8.87 4.46 0.00 3.35 3.50 0.00 5.69 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.00 4.37 0.00 2.36 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 63 N 8.18 4.85 0.00 2.71 2.85 0.00 0.00 7.15 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 64 T 7.32 4.60 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 65 L 8.31 4.47 0.00 1.46 1.70 0.85 0.76 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 66 Q 8.92 4.55 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.01 0.00 0.00 0.00 0.00 0.00 2.18 2.41 0.00 67 W 9.02 5.00 0.00 3.39 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 68 R 9.40 5.01 0.00 1.35 1.33 0.00 2.77 0.00 0.00 2.91 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.83 0.00 69 C 9.28 5.10 0.00 2.81 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 70 F 9.31 5.21 0.00 3.03 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 71 D 9.10 5.14 0.00 2.78 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 72 T 9.41 3.84 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 1.30 0.00 0.00 73 A 8.30 4.14 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 7.98 4.61 0.00 4.20 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 75 L 7.42 4.37 0.00 1.82 1.57 0.78 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.86 4.38 0.00 1.72 1.60 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.71 4.10 0.00 1.99 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 2.23 1.87 0.00 78 S 8.08 4.47 0.00 3.56 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 79 N 7.60 3.54 0.00 2.80 2.88 0.00 0.00 6.70 7.99 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 *83 N 8.26 4.69 0.00 2.76 3.08 0.00 0.00 5.81 6.95 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 84 G 8.25 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 85 V 7.87 4.44 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 0.28 0.00 0.00 0.80 0.00 0.00 86 N 8.47 5.25 0.00 2.46 2.58 0.00 0.00 7.08 7.82 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 87 C 8.78 5.08 0.00 1.23 2.10 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 88 V 8.36 5.31 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 0.88 0.00 0.00 1.20 0.00 0.00 89 D 9.18 4.90 0.00 3.01 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.65 4.88 0.00 2.83 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 91 C 8.57 4.76 0.00 3.23 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 92 G 8.46 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 93 H 8.77 5.05 0.00 3.37 3.32 0.00 5.61 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 94 T 8.58 4.86 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 1.10 0.00 0.00 95 I 8.90 4.74 2.12 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.82 1.03 0.00 0.00 96 P 0.00 4.73 0.00 2.23 1.99 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.22 0.00 97 C 8.71 5.38 0.00 2.65 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 98 P 0.00 4.21 0.00 2.03 1.99 0.00 3.68 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 2.06 2.11 0.00 99 G 8.81 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 G 8.54 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 0.00 0.00 0.00 0.00 101 V 8.56 4.20 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 0.97 0.00 0.00 0.92 0.00 0.00 102 H 8.86 4.59 0.00 3.29 3.20 0.00 5.73 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.85 4.14 0.00 1.89 1.99 0.00 3.35 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 104 Q 8.35 4.28 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.12 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 105 N 7.92 4.81 0.00 2.24 2.67 0.00 0.00 6.83 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 S 7.98 4.17 0.00 4.25 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 0.00 107 N 9.06 4.94 0.00 2.88 2.73 0.00 0.00 6.50 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 H 8.16 5.32 0.00 2.35 2.44 0.00 5.52 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.66 4.57 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 8.60 4.25 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 111 R 8.72 4.71 0.00 1.81 1.82 0.00 3.30 0.00 0.00 3.11 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 112 H 8.18 4.44 0.00 3.35 3.39 0.00 5.86 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.36 3.95 0.00 2.08 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 2.44 2.42 0.00 114 I 7.66 3.67 1.87 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 1.62 1.19 0.96 0.00 0.00 115 L 7.74 3.81 0.00 1.71 1.13 1.03 1.17 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 0.00 116 S 8.13 4.11 0.00 3.87 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 0.00 117 K 8.13 3.94 0.00 1.95 1.95 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.51 7.81 118 L 7.92 3.95 0.00 1.76 1.62 0.85 0.61 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 0.00 119 V 7.69 3.52 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.71 0.00 0.00 120 E 8.20 3.97 0.00 2.22 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 2.36 2.57 0.00 121 E 8.38 4.09 0.00 2.15 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 2.31 2.45 0.00 122 G 8.36 3.80 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 0.00 0.00 0.00 123 V 8.20 3.71 2.27 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 1.06 0.00 0.00 1.09 0.00 0.00 124 Q 7.48 3.99 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 125 R 7.57 3.76 0.00 0.98 0.66 0.00 2.89 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.53 0.00 126 F 8.13 4.84 0.00 3.20 3.17 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 0.00 127 C 8.20 4.58 0.00 3.22 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 0.00 128 S 8.74 4.24 0.00 3.85 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 0.00 129 P 0.00 4.47 0.00 1.95 1.96 0.00 3.71 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 130 Y 7.97 3.88 0.00 3.18 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 0.00 131 Q 8.12 4.03 0.00 2.43 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 132 A 8.59 4.05 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 0.00 133 S 8.10 3.99 0.00 3.93 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 0.00 134 A 7.87 3.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 N 8.68 4.39 0.00 2.97 2.95 0.00 0.00 6.69 7.28 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 0.00 136 K 8.38 3.96 0.00 1.91 2.05 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.46 7.81 137 Y 8.13 4.07 0.00 3.04 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 0.00 138 C 8.34 4.33 0.00 3.34 3.29 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 0.00 139 N 8.61 4.41 0.00 2.91 2.83 0.00 0.00 7.28 8.04 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 0.00 140 D 8.09 4.25 0.00 2.70 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 K 7.36 3.88 0.00 1.09 1.08 0.00 1.37 0.00 0.00 1.46 0.00 0.00 2.73 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.30 0.83 7.81 142 F 8.42 4.56 0.00 2.92 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 0.00 143 P 0.00 4.81 0.00 2.05 2.02 0.00 3.70 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 2.01 2.02 0.00 144 G 9.68 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 0.00 145 T 7.54 4.80 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 146 I 8.78 4.86 2.04 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.07 0.76 0.00 0.00 147 A 9.01 5.65 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 R 8.96 4.84 0.00 1.73 1.68 0.00 3.23 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.55 0.00 149 R 7.80 4.33 0.00 0.67 0.90 0.00 2.49 0.00 0.00 3.14 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.93 0.00 150 S 8.45 4.48 0.00 3.77 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 0.00 151 K 8.16 5.04 0.00 1.77 1.89 0.00 1.87 0.00 0.00 2.52 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.30 7.81 152 G 8.17 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 0.00 0.00 0.00 0.00 153 F 9.03 4.56 0.00 3.19 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 G 8.21 3.40 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 0.00 155 N 7.76 4.57 0.00 2.63 2.64 0.00 0.00 6.96 6.60 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 0.00 156 N 8.68 4.81 0.00 2.87 2.87 0.00 0.00 6.08 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 0.00 157 V 7.79 4.06 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 0.80 0.00 0.00 0.91 0.00 0.00 158 E 8.69 4.14 0.00 2.08 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 159 V 8.45 5.30 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 0.57 0.00 0.00 0.88 0.00 0.00 160 A 7.96 4.58 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 W 9.58 4.82 0.00 3.47 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 0.00 162 R 9.28 5.11 0.00 0.67 1.44 0.00 2.59 0.00 0.00 2.95 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.77 0.00 163 C 9.36 5.15 0.00 3.00 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 0.00 164 Y 9.27 4.96 0.00 2.91 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 0.00 165 E 8.84 4.38 0.00 2.08 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 2.47 2.45 0.00 166 K 9.14 3.98 0.00 1.87 2.07 0.00 1.91 0.00 0.00 1.92 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.61 1.73 7.81 167 A 8.07 4.10 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 S 8.03 4.50 0.00 4.25 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 0.00 169 L 7.48 4.58 0.00 1.78 1.56 0.91 0.35 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 0.00 170 L 8.40 4.73 0.00 1.63 1.55 0.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 171 Y 9.09 4.11 0.00 3.13 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 0.00 172 S 8.16 4.17 0.00 4.06 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 0.00 173 V 7.06 4.29 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 0.92 0.00 0.00 0.91 0.00 0.00 174 Y 8.74 4.62 0.00 2.73 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 0.00 175 A 8.92 4.87 1.13 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 0.00 0.00 176 E 8.73 4.20 0.00 1.89 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 177 C 9.12 5.76 0.00 3.35 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 A 9.56 5.02 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 0.00 179 S 9.05 3.88 0.00 3.04 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 0.00 180 N 8.05 4.87 0.00 2.84 2.89 0.00 0.00 5.84 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 0.00 181 C 7.67 4.56 0.00 2.80 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 0.00 182 G 7.13 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 T 7.37 4.72 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 1.19 0.00 0.00 184 T 8.53 4.21 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 1.07 0.00 0.00 185 W 8.61 5.28 0.00 3.32 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 0.00 186 Y 8.16 5.28 0.00 2.96 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 0.00 187 C 9.29 5.24 0.00 2.75 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 0.00 188 P 0.00 3.39 0.00 0.50 0.91 0.00 3.38 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.45 0.00 189 G 9.02 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 G 8.86 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 0.00 0.00 0.00 191 R 7.80 4.77 0.00 1.65 1.78 0.00 3.32 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.83 0.00 192 R 8.49 4.14 0.00 1.76 1.93 0.00 3.24 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 193 G 8.41 4.03 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 0.00 0.00 0.00 194 T 7.50 4.16 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 1.16 0.00 0.00 195 S 8.07 4.24 0.00 3.72 3.53 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 0.00 196 T 8.15 4.43 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 197 E 8.87 3.96 0.00 2.08 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 0.00 2.37 2.40 0.00 198 L 7.63 4.06 0.00 1.63 1.75 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 199 D 7.94 4.66 0.00 3.15 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 0.00 200 K 7.95 4.27 0.00 1.74 1.61 0.00 1.55 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.66 1.14 7.81 201 R 7.85 4.26 0.00 1.79 1.97 0.00 3.22 0.00 0.00 3.17 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.71 0.00 202 H 6.67 4.65 0.00 2.39 2.99 0.00 5.47 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 Y 8.39 4.38 0.00 2.19 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 0.00 0.00 0.00 0.00 204 T 8.61 4.29 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 205 E 8.97 4.87 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.91 0.00 206 E 8.48 4.18 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.40 0.00 207 E 8.18 4.04 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 2.31 1.94 0.00 208 G 7.81 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 0.00 0.00 0.00 0.00 209 I 7.43 3.22 1.81 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.54 0.24 0.00 0.00 210 R 7.65 3.58 0.00 1.86 1.88 0.00 3.25 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 211 Q 8.04 3.83 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 212 A 7.42 3.90 1.21 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 0.00 0.00 213 I 7.77 3.89 1.78 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.13 0.95 0.00 0.00 214 G 8.17 3.73 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 0.00 0.00 0.00 215 S 7.50 4.34 0.00 4.01 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 0.00 216 V 6.85 3.62 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 -0.04 0.00 0.00 0.70 0.00 0.00 217 D 8.27 4.50 0.00 2.64 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 0.00 218 S 8.79 4.67 0.00 3.91 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 0.00 219 P 0.00 4.42 0.00 2.23 2.17 0.00 3.92 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 2.03 2.06 0.00 220 C 7.85 5.00 0.00 2.99 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 0.00 221 S 8.88 4.48 0.00 3.99 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 E 8.65 4.22 0.00 1.98 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 2.32 2.30 0.00 223 V 8.01 4.59 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 0.81 0.00 0.00 0.93 0.00 0.00 224 E 7.87 5.21 0.00 1.79 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 2.23 2.23 0.00 225 V 8.95 4.23 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 1.01 0.00 0.00 0.94 0.00 0.00 226 C 8.83 4.94 0.00 3.02 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 0.00 227 L 9.13 4.87 0.00 1.64 1.61 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 228 P 0.00 4.78 0.00 1.51 1.81 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.07 0.00 229 K 8.64 4.88 0.00 1.93 1.77 0.00 1.69 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.43 1.40 7.81 230 D 9.00 4.96 0.00 3.25 3.34 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 0.00 231 E 7.69 5.02 0.00 2.33 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 2.10 2.16 0.00 232 N 8.89 4.80 0.00 2.64 2.69 0.00 0.00 6.97 8.27 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 0.00 233 P 0.00 4.74 0.00 2.06 2.03 0.00 3.74 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 1.95 1.94 0.00 234 P 0.00 4.60 0.00 2.16 2.30 0.00 3.76 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 1.99 2.17 0.00 235 L 8.75 4.22 0.00 1.82 1.75 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 236 C 8.86 5.31 0.00 2.87 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 237 L 8.60 4.76 0.00 1.60 1.58 0.94 0.84 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 0.00 238 D 8.78 4.63 0.00 2.56 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 0.00 239 E 8.69 4.10 0.00 2.05 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 2.33 2.27 0.00 240 S 8.62 4.20 0.00 3.88 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 241 G 8.34 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 0.00 242 Q 8.32 4.29 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 243 I 7.36 3.96 1.87 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 1.27 0.62 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.