NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 Q 3.6435 8.2027 121.7133 56.1373 31.3840 177.4195 33 E 3.9090 7.6531 116.0146 55.7031 29.4397 177.5991 *35 W 4.8144 8.9148 120.4589 56.2971 32.2042 177.1064 36 D 4.6426 8.6001 117.7161 56.8081 40.5065 177.7541 37 S 4.6369 7.8937 107.3861 58.1713 65.8603 174.6064 38 G 3.9679 8.2964 113.9696 45.1737 0.0000 174.8844 39 S 4.1227 8.4609 114.2088 60.2245 63.1664 174.9292 40 R 4.1604 7.3862 119.2955 55.7111 30.3987 177.3963 41 S 4.7800 8.2147 113.3976 59.8658 63.1936 175.4892 42 T 4.4773 7.5789 110.7360 61.6875 68.9982 176.2003 43 I 3.8696 7.4290 124.2870 64.9696 37.2164 178.2115 44 I 3.8717 7.9914 120.1631 64.0125 36.7779 176.6057 45 P 4.7254 0.0000 0.0000 64.9059 31.4686 178.1382 46 F 4.5590 8.2019 119.6973 61.2659 39.2734 176.8396 47 F 3.9011 8.6310 120.6037 61.5253 38.1133 177.0040 48 E 4.4153 8.8284 119.4321 58.7270 28.9611 179.2646 49 Q 3.9886 7.7836 117.4728 57.9502 28.6844 176.4570 50 Y 3.9677 6.7909 113.0026 58.0758 40.0171 176.0865 51 V 4.0367 7.2238 119.8859 60.7974 32.1287 175.7272 52 K 4.1809 8.5439 127.1468 55.9083 32.7870 177.1894 53 K 3.4358 8.2629 121.6467 57.8134 32.4896 178.1254 54 E 3.9662 8.2910 118.4309 56.6603 29.2080 175.3920 55 A 4.4769 7.5540 120.5227 51.4040 19.8847 176.4084 56 E 4.7509 8.8815 122.0731 55.8482 31.4172 175.6503 57 V 5.0054 8.9187 125.4133 59.8305 34.8881 173.8640 58 L 4.2504 8.1327 125.4439 53.1720 44.1466 174.5766 59 D 4.6973 9.0125 127.4651 52.7202 41.8751 175.2515 60 V 3.8593 8.1973 126.9326 62.5462 31.8827 175.8408 61 G 3.7344 8.7978 119.4309 46.5055 0.0000 173.4253 62 C 4.4454 8.0222 113.2659 58.7263 31.4892 175.3469 63 G 3.6830 8.2268 109.9031 46.6655 0.0000 175.3632 64 D 4.2845 8.6578 122.9238 53.9747 39.6727 177.7349 65 G 4.1467 8.5709 108.9604 46.7729 0.0000 175.1233 66 Y 4.3017 8.0617 122.9145 60.2360 38.7855 177.8370 67 G 2.0000 7.4000 106.2257 47.2384 0.0000 175.6366 68 T 3.6263 7.5269 117.5863 66.3565 68.4299 175.8329 69 Y 4.0562 7.8874 121.3068 60.7534 38.8447 178.2566 70 K 3.4358 7.7252 119.5775 59.3290 32.0349 179.2951 71 L 4.0879 7.7310 120.7262 57.1377 41.4889 179.7151 72 S 4.7181 7.5930 115.4516 61.1491 62.7418 176.8141 73 R 3.7750 7.5865 121.1192 58.6924 29.8758 178.4694 74 T 4.1555 7.6781 108.5744 61.9358 69.1887 175.6745 75 G 3.9464 7.5421 110.2236 45.3925 0.0000 172.8640 76 Y 4.8359 7.9591 117.8020 56.2380 40.9178 175.0976 77 K 4.6096 8.4468 122.0126 55.6425 33.0962 175.0432 78 A 5.1698 8.8553 130.4246 50.1240 21.9210 175.3102 79 V 4.5648 8.5337 120.5148 60.8699 35.0430 174.4477 80 G 4.4686 8.6899 115.1913 44.2422 0.0000 172.3116 81 V 5.7332 8.5688 123.5914 59.1611 34.6044 174.0958 82 D 4.9182 8.3928 120.9254 53.3948 44.0755 175.8018 83 I 3.8877 8.4456 123.0787 62.6850 38.4356 175.9295 84 S 4.3108 8.6575 116.0278 57.2792 62.3655 173.1787 85 E 4.0307 8.8957 129.7813 59.4163 29.8093 179.2099 86 V 3.5832 7.6657 114.3419 63.8408 31.3261 177.1589 *88 I 3.9752 7.8657 120.6680 60.9548 38.7848 177.8100 89 Q 3.9190 8.0138 120.6243 58.8738 28.4924 178.1285 90 K 4.1914 7.2353 121.6041 58.8479 32.4215 178.7654 91 G 2.7202 7.3467 105.4860 47.1022 0.0000 175.7594 92 K 4.1132 7.6728 120.4434 58.8975 31.4733 178.9449 93 E 4.1195 7.7684 118.4506 58.4715 29.1556 178.6176 94 R 4.3058 7.7882 117.2777 56.1791 30.5534 176.7005 95 G 3.9221 7.8491 106.8705 46.1484 0.0000 172.9616 96 E 4.4933 8.3955 125.1188 55.7987 30.7518 177.0720 97 G 4.1432 8.7688 110.1607 44.2066 0.0000 171.3136 98 P 4.4436 0.0000 0.0000 64.7669 31.4045 176.2528 99 D 4.9730 7.9378 117.5048 53.7480 43.2318 175.0093 100 L 4.8798 8.0485 122.6095 54.0751 45.4525 174.5066 101 S 5.1504 8.6546 120.2705 56.9896 66.9646 172.8838 102 F 5.4332 9.4668 119.2572 55.9353 42.5192 174.7233 103 I 4.7794 9.1601 122.6132 59.4108 41.2956 174.4516 104 K 4.7304 8.8920 128.1761 56.3603 32.5549 175.9131 105 G 4.0826 8.8235 112.4471 45.7053 0.0000 171.8192 106 D 4.9890 8.3186 120.6548 53.0326 41.8265 177.4766 107 L 4.0964 8.6606 126.6590 57.3101 41.8346 177.8789 108 S 4.6729 8.8023 113.4539 58.3425 63.5019 175.1113 109 S 4.7997 7.8573 113.4210 57.1444 63.4281 174.5814 110 L 4.0786 8.4068 122.1911 54.6419 42.5800 177.1276 111 P 4.4604 0.0000 0.0000 62.7203 30.9991 175.6231 112 F 5.1934 7.4545 114.7261 56.6018 43.3504 175.0421 113 E 4.3895 9.4877 122.5230 55.5633 30.1507 176.4785 114 N 4.5916 8.5832 118.1216 55.0155 38.9533 174.9277 115 E 4.0348 9.1760 121.4015 57.4201 27.8844 176.2077 116 Q 3.9064 7.9755 121.8012 58.1503 29.5714 175.9025 117 F 4.8074 8.2215 116.7008 55.6405 41.1011 177.2709 118 E 4.4152 9.0793 121.8635 58.9780 30.7303 176.2774 119 A 5.1384 8.2465 119.3065 51.1590 23.4806 175.7512 120 I 5.0274 8.7769 118.2661 59.1065 42.1318 174.2193 *122 A 4.4026 8.5430 123.1993 52.9038 19.5805 175.8629 123 I 4.1402 8.3896 121.2836 61.2838 37.7630 176.4812 124 N 5.1872 8.4215 125.6971 53.7170 36.2172 175.1048 125 S 4.8360 7.6647 111.9288 59.3066 65.4485 176.5251 126 L 4.1418 7.8041 119.3287 56.8204 41.7584 177.7623 127 E 4.0586 8.0185 117.7826 57.7922 29.9583 177.0138 128 W 5.0848 7.3234 118.7657 55.8857 29.2648 175.7898 129 T 4.7406 7.3003 110.2233 60.8966 70.0650 172.9134 130 E 4.2966 8.7046 124.4413 57.5307 30.7908 176.8411 131 E 4.7463 8.0375 118.5857 53.1326 29.8769 174.4376 132 P 4.2961 0.0000 0.0000 65.7966 31.6860 178.4842 133 L 3.9465 7.8873 119.5786 57.8345 41.9580 178.6799 134 R 3.8844 8.0228 117.9900 59.4904 30.0872 178.2131 135 A 4.0533 7.9446 120.0947 55.0501 18.3463 179.3577 136 L 4.0214 8.3462 119.2053 58.4793 42.2119 179.0298 137 N 4.5017 8.5428 116.4454 56.1515 38.3932 177.3204 138 E 4.1063 8.0432 120.4789 59.2449 29.3505 179.2005 139 I 3.7915 7.6788 119.0942 64.2267 37.4502 177.9745 140 K 4.2218 8.4757 120.4524 59.6081 32.0710 178.5559 141 R 3.9162 8.1179 118.8204 59.6992 30.0179 178.3907 142 V 4.2984 7.9756 110.1766 61.5719 31.8241 175.1414 143 L 4.9615 7.2044 121.6320 53.4129 43.1035 176.2986 144 K 4.2893 9.1633 128.2590 56.3774 33.4586 176.1626 145 S 4.2609 8.8942 123.2866 60.2043 63.1119 174.7275 146 D 4.5267 9.3157 123.2971 54.2506 39.2793 174.6722 147 G 3.9661 7.8438 107.2585 45.2428 0.0000 172.7451 148 Y 5.2616 8.4144 117.6246 56.7564 40.1935 174.6378 149 A 5.2090 9.0828 124.3935 50.5105 21.6987 175.1535 150 C 4.8528 9.4664 124.8068 58.3588 32.6874 172.9729 151 I 4.9157 8.8260 127.4895 59.4524 40.2596 174.5398 152 A 5.3050 8.7358 128.6880 50.3417 21.5946 175.5021 153 I 4.8343 8.5359 121.8805 58.9729 40.8720 175.3310 154 L 4.1877 8.9192 127.3540 54.7163 42.2066 177.5140 155 G 4.1573 9.0300 110.5001 44.6000 0.0000 172.8027 156 P 4.3179 0.0000 0.0000 65.3507 31.1658 177.3293 157 T 4.3630 7.7335 105.4616 60.6779 69.4487 174.3198 158 A 3.9911 7.5353 126.4288 52.4809 18.9458 178.6318 159 K 3.8928 9.2236 123.4749 59.5461 32.1386 177.1373 160 P 4.4308 0.0000 0.0000 65.6218 31.1804 178.1622 161 R 4.0202 8.0448 115.9036 57.8500 30.0182 178.2890 162 E 4.0341 8.4451 119.4241 58.8526 29.1565 178.4024 163 N 4.5033 8.1099 116.6514 56.4348 39.4066 176.4260 164 S 4.3285 8.3349 116.4179 60.4555 62.9972 175.4528 165 Y 4.1638 7.8021 122.7809 60.5157 38.4317 176.4809 166 P 4.4353 0.0000 0.0000 64.9060 31.4010 178.4060 167 R 4.2864 7.7444 116.2053 58.4923 28.9876 178.5810 168 L 3.9313 7.6212 118.5452 56.5350 41.5218 177.1365 169 Y 4.4047 7.6641 115.2940 57.4480 38.1143 176.3486 170 G 3.8949 8.1755 107.7291 45.7380 0.0000 174.1010 171 K 4.4587 7.6074 118.4723 54.8540 33.5758 175.9471 172 D 4.6866 8.3318 120.7980 54.3057 41.5990 176.5025 173 V 4.6019 7.8653 114.2923 59.7564 35.7186 175.9831 174 V 3.8791 8.6852 121.7548 65.5860 31.9349 176.1389 175 C 4.0223 8.4643 121.1059 58.7494 31.5476 173.3700 176 N 4.7329 8.8601 125.1019 52.4865 38.7680 174.3977 177 T 4.0892 8.0343 109.6870 60.1574 69.5405 172.6460 *180 P 4.6059 0.0000 0.0000 62.0377 33.4676 179.0501 181 W 4.2836 7.0812 115.0441 59.3526 27.9502 178.1289 182 E 3.9882 7.4302 119.3661 59.1660 29.0659 178.6403 183 F 3.9814 7.9593 120.2592 61.0082 39.5905 176.3830 184 E 3.2497 8.2212 119.1438 59.3185 29.4177 178.7620 185 Q 3.8986 7.7781 118.9805 58.9497 28.9614 177.7884 186 L 3.8602 7.7947 121.5213 58.1981 42.1085 179.4230 187 V 3.4283 7.5137 112.6827 64.2363 30.9055 178.7599 188 K 4.6949 7.6559 119.1416 58.9505 31.6925 178.8859 189 E 4.1868 8.1691 116.9430 57.8244 29.4466 178.0095 190 Q 4.6448 7.5381 117.4651 55.2664 29.5002 175.8252 191 G 3.6873 7.9062 107.3687 45.5228 0.0000 173.1141 192 F 5.3259 8.1833 117.4721 55.1766 42.3440 174.3416 193 K 4.9015 9.0474 123.5355 54.7640 34.4612 174.9859 194 V 4.5280 8.5198 127.4889 62.1735 31.6909 175.6853 195 V 4.2440 8.4019 120.7471 61.8503 32.9976 174.6151 196 D 4.6213 7.3058 116.9030 53.6749 43.7996 174.0423 197 G 4.2726 8.1274 105.5626 45.6484 0.0000 172.9802 198 I 3.9111 6.6894 115.4382 58.3951 41.1531 174.5061 199 G 3.5952 7.7456 110.3325 44.5155 0.0000 173.4438 200 V 4.1767 7.8260 120.9673 60.9919 33.3708 174.2670 201 Y 4.8275 8.3510 125.3717 57.2191 38.7455 175.8967 202 K 4.4563 8.4380 120.8414 55.4891 34.0163 176.9021 203 R 3.9301 8.5549 120.9301 58.4059 30.3397 177.2156 204 G 4.0446 9.0370 109.5242 45.1861 0.0000 173.5654 205 V 4.2420 7.0988 118.5460 61.1073 32.8704 174.5990 206 N 5.0854 8.1224 122.5203 50.5542 40.1890 174.3362 207 E 3.9266 8.6834 118.9613 59.5630 29.6966 179.7258 208 K 4.1163 7.5599 114.1171 57.5900 31.7934 177.6357 *210 L 4.3170 8.1070 120.9312 55.0011 43.1726 179.8180 211 G 3.8637 7.7116 101.7177 46.4694 0.0000 173.7214 212 Q 4.5271 8.4881 116.2700 54.6866 30.7782 175.2214 213 L 4.7055 7.5033 117.8882 52.5903 44.1766 176.9414 214 S 4.3861 8.2105 116.7616 58.2624 65.0698 175.3900 215 T 3.9691 8.4691 119.2850 67.0637 68.1755 176.3546 216 D 4.5003 7.8208 121.5663 55.9181 39.0553 178.4381 217 L 3.9676 7.5934 118.8847 57.1708 41.9020 178.8677 218 Q 4.3123 7.8484 118.0092 59.1605 28.5219 178.6677 219 Q 4.0288 8.0335 119.1576 59.0168 28.4305 179.0176 220 S 4.4367 7.8808 115.4434 61.0717 63.2305 175.6328 221 L 4.5979 7.9182 120.2663 54.1316 41.7639 176.4250 222 T 4.7512 7.3197 110.2486 60.2956 70.9536 175.3340 223 F 4.4522 9.3741 125.2448 60.7397 40.6896 175.1560 224 L 4.8879 7.6440 116.0582 54.3310 43.6707 173.8537 225 W 4.8057 9.0712 130.8772 55.5126 33.7035 174.2670 226 V 4.2864 7.7077 127.3432 61.5493 32.5746 174.0724 227 F 5.1839 9.2122 132.6243 57.1180 42.1010 174.8846 *229 L 4.6958 8.3311 120.5560 55.7530 43.8168 175.7815 230 K 4.9777 8.8669 120.5354 54.6069 35.8784 175.1582 231 R 3.9116 8.8871 128.5298 56.0783 30.9730 175.3480 232 H 4.2530 8.7300 124.5370 56.0388 29.5419 175.5733 233 K 4.0414 8.4471 121.9513 56.7063 32.1141 176.4363 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 32 Q 8.20 3.64 0.00 1.82 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.17 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 33 E 7.65 3.91 0.00 2.07 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 2.37 2.31 0.00 *35 W 8.91 4.81 0.00 3.94 3.41 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 36 D 8.60 4.64 0.00 2.87 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.89 4.64 0.00 3.92 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 38 G 8.30 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.46 4.12 0.00 3.89 3.54 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 40 R 7.39 4.16 0.00 0.67 0.66 0.00 2.24 0.00 0.00 2.31 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.12 0.00 41 S 8.21 4.78 0.00 4.04 4.15 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 42 T 7.58 4.48 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 1.18 0.00 0.00 43 I 7.43 3.87 2.04 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.50 1.09 0.00 0.00 44 I 7.99 3.87 2.02 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.92 1.08 0.00 0.00 45 P 0.00 4.73 0.00 2.12 2.19 0.00 3.94 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 46 F 8.20 4.56 0.00 3.11 3.36 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 47 F 8.63 3.90 0.00 3.28 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 48 E 8.83 4.42 0.00 2.29 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.74 0.00 49 Q 7.78 3.99 0.00 1.92 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.63 0.00 50 Y 6.79 3.97 0.00 2.13 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 51 V 7.22 4.04 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 -0.23 0.00 0.00 52 K 8.54 4.18 0.00 1.83 1.74 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.44 7.81 53 K 8.26 3.44 0.00 1.63 1.47 0.00 1.13 0.00 0.00 0.90 0.00 0.00 2.75 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.22 7.81 54 E 8.29 3.97 0.00 2.16 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 2.17 2.17 0.00 55 A 7.55 4.48 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.88 4.75 0.00 2.11 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 2.76 2.62 0.00 57 V 8.92 5.01 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 0.53 0.00 0.00 0.73 0.00 0.00 58 L 8.13 4.25 0.00 0.27 0.66 0.27 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 59 D 9.01 4.70 0.00 2.60 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.20 3.86 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 0.86 0.00 0.00 0.89 0.00 0.00 61 G 8.80 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 62 C 8.02 4.45 0.00 3.32 3.44 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 63 G 8.23 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.66 4.28 0.00 2.79 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 65 G 8.57 4.15 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 0.00 66 Y 8.06 4.30 0.00 3.17 2.93 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 67 G 7.40 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 0.00 0.00 0.00 0.00 0.00 0.00 68 T 7.53 3.63 4.45 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 0.83 0.00 0.00 69 Y 7.89 4.06 0.00 3.16 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 70 K 7.73 3.44 0.00 1.39 1.56 0.00 1.48 0.00 0.00 1.18 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.65 0.83 7.81 71 L 7.73 4.09 0.00 1.73 1.56 0.58 0.05 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 72 S 7.59 4.72 0.00 4.04 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 73 R 7.59 3.78 0.00 1.60 1.81 0.00 3.09 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.98 0.00 74 T 7.68 4.16 4.47 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 1.25 0.00 0.00 75 G 7.54 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 76 Y 7.96 4.84 0.00 3.10 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 77 K 8.45 4.61 0.00 1.93 1.77 0.00 1.61 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.57 7.81 78 A 8.86 5.17 1.07 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 79 V 8.53 4.56 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 1.01 0.00 0.00 1.05 0.00 0.00 80 G 8.69 4.47 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 0.00 81 V 8.57 5.73 2.39 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 0.95 0.00 0.00 1.13 0.00 0.00 82 D 8.39 4.92 0.00 2.78 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 83 I 8.45 3.89 1.90 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 1.29 1.59 0.93 0.00 0.00 84 S 8.66 4.31 0.00 3.81 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 85 E 8.90 4.03 0.00 2.08 1.92 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 2.37 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0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.46 0.90 0.00 0.00 104 K 8.89 4.73 0.00 1.80 1.72 0.00 2.03 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.56 7.81 105 G 8.82 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 0.00 106 D 8.32 4.99 0.00 2.70 2.56 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 0.00 107 L 8.66 4.10 0.00 1.71 1.78 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.80 4.67 0.00 3.96 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 0.00 109 S 7.86 4.80 0.00 3.80 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.41 4.08 0.00 1.97 1.96 1.08 1.08 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 0.00 111 P 0.00 4.46 0.00 1.80 1.90 0.00 3.41 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 146 D 9.32 4.53 0.00 2.72 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 0.00 147 G 7.84 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 Y 8.41 5.26 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 0.00 149 A 9.08 5.21 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 0.00 150 C 9.47 4.85 0.00 3.27 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 0.00 151 I 8.83 4.92 2.00 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 1.20 0.58 0.65 0.00 0.00 152 A 8.74 5.30 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 0.00 153 I 8.54 4.83 1.97 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.81 0.76 0.00 0.00 154 L 8.92 4.19 0.00 1.26 1.29 0.80 0.42 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 0.00 155 G 9.03 4.16 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 0.00 0.00 0.00 156 P 0.00 4.32 0.00 2.31 2.43 0.00 3.96 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 2.21 2.30 0.00 157 T 7.73 4.36 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 1.26 0.00 0.00 158 A 7.54 3.99 0.79 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 0.00 159 K 9.22 3.89 0.00 1.96 2.02 0.00 1.80 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.60 1.62 7.81 160 P 0.00 4.43 0.00 2.34 2.54 0.00 3.52 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 161 R 8.04 4.02 0.00 1.97 1.90 0.00 3.26 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 162 E 8.45 4.03 0.00 2.05 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 2.33 2.57 0.00 163 N 8.11 4.50 0.00 3.00 3.03 0.00 0.00 7.21 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 0.00 164 S 8.33 4.33 0.00 3.98 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 Y 7.80 4.16 0.00 3.12 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 0.00 166 P 0.00 4.44 0.00 2.26 2.18 0.00 3.88 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 167 R 7.74 4.29 0.00 2.03 2.21 0.00 3.00 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.44 0.00 168 L 7.62 3.93 0.00 0.91 1.30 0.66 0.54 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 0.00 169 Y 7.66 4.40 0.00 3.03 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 0.00 170 G 8.18 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 K 7.61 4.46 0.00 1.92 1.75 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.65 1.43 7.81 172 D 8.33 4.69 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 V 7.87 4.60 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 0.85 0.00 0.00 0.91 0.00 0.00 174 V 8.69 3.88 2.42 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 1.11 0.00 0.00 1.05 0.00 0.00 175 C 8.46 4.02 0.00 2.02 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 0.00 0.00 0.00 0.00 176 N 8.86 4.73 0.00 2.60 2.85 0.00 0.00 6.99 7.58 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 0.00 177 T 8.03 4.09 4.17 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 1.15 0.00 0.00 *180 P 0.00 4.61 0.00 2.16 2.22 0.00 2.25 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.05 0.00 181 W 7.08 4.28 0.00 3.56 3.62 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 0.00 182 E 7.43 3.99 0.00 1.85 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 2.45 2.14 0.00 183 F 7.96 3.98 0.00 2.99 3.09 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 0.00 184 E 8.22 3.25 0.00 2.23 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 0.00 2.30 2.32 0.00 185 Q 7.78 3.90 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 186 L 7.79 3.86 0.00 1.81 1.52 0.93 0.89 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 0.00 187 V 7.51 3.43 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 -0.93 0.00 0.00 0.60 0.00 0.00 188 K 7.66 4.69 0.00 1.92 1.84 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.45 7.81 189 E 8.17 4.19 0.00 2.03 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 2.31 2.54 0.00 190 Q 7.54 4.64 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.12 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 191 G 7.91 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 F 8.18 5.33 0.00 2.98 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 0.00 193 K 9.05 4.90 0.00 1.68 1.61 0.00 1.55 0.00 0.00 1.52 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.39 7.81 194 V 8.52 4.53 2.20 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 1.16 0.00 0.00 0.93 0.00 0.00 195 V 8.40 4.24 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 0.82 0.00 0.00 0.75 0.00 0.00 196 D 7.31 4.62 0.00 2.63 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 G 8.13 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 0.00 0.00 0.00 0.00 198 I 6.69 3.91 1.28 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.17 0.24 0.00 0.00 199 G 7.75 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 0.00 200 V 7.83 4.18 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 0.98 0.00 0.00 0.80 0.00 0.00 201 Y 8.35 4.83 0.00 2.97 2.93 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 0.00 202 K 8.44 4.46 0.00 1.95 1.81 0.00 1.85 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.66 7.81 203 R 8.55 3.93 0.00 1.81 1.91 0.00 3.16 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 204 G 9.04 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 0.00 205 V 7.10 4.24 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 0.54 0.00 0.00 1.07 0.00 0.00 206 N 8.12 5.09 0.00 2.75 2.69 0.00 0.00 6.13 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 0.00 207 E 8.68 3.93 0.00 1.98 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 2.36 2.27 0.00 208 K 7.56 4.12 0.00 1.93 1.81 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.39 7.81 *210 L 8.11 4.32 0.00 1.78 1.69 0.17 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 211 G 7.71 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 0.00 0.00 0.00 212 Q 8.49 4.53 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.28 6.61 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 213 L 7.50 4.71 0.00 1.62 1.55 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 214 S 8.21 4.39 0.00 4.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 T 8.47 3.97 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 0.99 0.00 0.00 216 D 7.82 4.50 0.00 2.33 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 0.00 217 L 7.59 3.97 0.00 1.71 1.72 0.86 0.75 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 0.00 218 Q 7.85 4.31 0.00 2.32 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.71 0.00 219 Q 8.03 4.03 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 1.16 1.47 0.00 220 S 7.88 4.44 0.00 4.04 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 L 7.92 4.60 0.00 2.09 1.91 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 222 T 7.32 4.75 4.47 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 1.13 0.00 0.00 223 F 9.37 4.45 0.00 3.14 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 0.00 224 L 7.64 4.89 0.00 1.81 1.53 0.80 0.95 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 0.00 225 W 9.07 4.81 0.00 3.23 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 0.00 226 V 7.71 4.29 1.58 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 1.11 0.00 0.00 0.71 0.00 0.00 227 F 9.21 5.18 0.00 3.35 3.12 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 *229 L 8.33 4.70 0.00 1.75 1.81 0.51 0.69 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 0.00 230 K 8.87 4.98 0.00 1.67 1.52 0.00 1.34 0.00 0.00 1.41 0.00 0.00 2.76 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.10 1.03 7.81 231 R 8.89 3.91 0.00 1.78 1.69 0.00 3.25 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.17 0.00 232 H 8.73 4.25 0.00 3.02 3.19 0.00 5.90 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 K 8.45 4.04 0.00 2.18 1.59 0.00 1.78 0.00 0.00 1.93 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.