NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 42 C 4.6732 8.4431 118.1493 57.1199 41.6881 172.1588 43 G 4.1554 8.1106 108.1512 44.0253 0.0000 172.3904 44 G 4.0559 8.8097 116.8418 46.5722 0.0000 172.5060 45 S 4.8390 7.9145 115.2656 57.4127 66.7800 177.1002 46 L 4.6963 8.9139 128.9490 55.0276 41.5212 177.3965 47 I 4.2889 8.3603 116.7928 60.6423 37.7740 174.4374 48 N 4.5135 7.6097 117.4339 52.1853 39.2832 174.8194 49 S 4.2805 8.9168 112.7196 61.0362 62.5302 174.5265 50 Q 4.4453 9.3439 118.1289 55.6701 31.8557 175.7354 51 W 5.2938 8.2031 116.8977 54.8951 31.2399 175.8300 52 V 5.0580 8.7001 124.7331 59.7945 32.4161 174.8650 53 V 4.9905 8.8172 123.8829 60.3061 33.9670 175.0087 54 S 4.8629 8.7881 118.0359 57.1304 66.5918 172.9648 55 A 4.6596 8.0873 120.7411 51.1898 19.3679 177.9172 56 A 3.9825 8.0939 123.3144 54.8462 18.7864 179.9833 57 H 4.3354 8.4556 110.6026 58.1265 28.4927 175.9776 58 C 4.2260 7.5894 115.2960 57.9119 40.3217 172.6185 59 Y 4.6792 7.3689 118.0565 57.1164 40.0020 175.8480 60 K 3.6190 9.9405 127.0980 58.3013 30.1597 175.6062 *61 S 4.0061 7.8484 111.2018 58.5957 61.1785 171.7619 *85 A 4.2765 7.4811 120.8381 53.3945 19.0110 176.3243 86 S 4.6683 8.1046 107.1033 60.2568 64.6990 175.3209 87 K 4.6433 7.4828 117.0697 55.4312 35.7641 174.9744 88 S 5.0805 8.5515 116.7948 57.1115 66.1854 174.4755 89 I 4.6165 8.8739 123.9604 59.3821 39.2884 174.8373 90 V 4.0772 8.2970 126.0848 62.3176 32.8199 174.9669 91 H 3.3411 8.5194 126.0311 55.1538 30.0528 174.6617 92 P 4.2894 0.0000 0.0000 65.4386 31.0112 177.0329 93 S 4.6952 7.8816 112.8969 58.0299 62.9226 173.1668 94 Y 4.2155 8.0490 123.2695 57.8882 38.8601 174.5673 95 N 4.4079 8.4361 126.3442 51.4508 39.2606 175.0729 96 S 3.7979 7.7681 120.4309 59.6855 63.4605 174.7755 97 N 4.6328 8.3227 118.8136 54.9759 39.1140 176.0171 98 T 4.4919 7.9694 104.7429 60.7767 69.7722 174.7240 99 L 3.5746 7.9085 120.9799 55.4609 39.9296 173.7626 100 N 4.4189 7.5922 117.6159 54.6252 39.2342 174.9026 101 N 4.4003 8.8131 121.2164 54.5405 35.6317 175.2240 102 D 4.6081 7.6927 117.4287 53.5014 38.9877 174.1575 103 I 4.7713 6.9616 120.9970 59.7557 42.4230 173.1024 104 M 5.3449 9.1701 123.6964 54.5180 35.1451 173.0615 105 L 5.4568 8.9581 119.1596 53.0974 45.3904 175.7405 106 I 4.8460 8.9071 123.4623 59.3649 40.6868 174.2147 107 K 3.8453 8.3413 128.3831 54.4492 33.6543 175.9226 108 L 4.3572 7.7965 127.2079 55.1724 42.3302 177.8346 109 K 3.8646 8.5275 118.5508 57.2951 30.8410 175.9328 *121 I 4.2294 7.3493 117.3552 61.4371 38.5475 174.5696 122 S 4.7397 8.1700 114.3325 56.8921 66.3068 174.0360 123 L 4.2878 8.6638 121.6595 54.7478 42.1200 175.2845 124 P 4.6802 0.0000 0.0000 62.4124 32.7381 175.8024 125 T 4.3312 8.1247 106.9520 61.9371 70.5560 174.1856 *127 S 4.6122 7.6263 116.3061 58.4201 63.9683 173.7549 128 C 4.3907 8.5306 120.2436 56.1276 40.6320 174.0215 129 A 4.1844 8.5555 128.2740 52.1852 18.7961 176.3960 130 S 4.4775 8.0237 113.4160 56.1942 66.2382 173.1563 *132 A 5.1033 7.7559 122.3090 53.6385 19.3553 175.5197 133 G 4.2253 9.0612 110.1935 45.7939 0.0000 174.3909 134 T 4.0103 7.5731 115.4916 63.4019 70.6138 174.8120 135 Q 4.2106 8.3975 120.4309 55.7786 27.8059 181.7868 136 C 4.2805 10.7639 109.2259 58.1165 33.3462 171.3307 137 L 4.7111 7.7435 118.5887 55.2839 42.8808 175.8920 138 I 5.0084 7.7440 116.2062 62.1621 41.5467 176.1396 *157 C 4.0350 8.0923 119.2902 58.7658 28.9687 175.9560 158 L 3.7139 8.7860 129.0383 53.9675 38.0453 171.5602 *159 K 4.4538 8.4452 124.6396 53.1104 32.8616 173.3542 160 A 4.7313 7.9442 120.6519 49.8713 22.1762 174.3137 161 P 4.8582 0.0000 0.0000 61.9448 34.0171 175.3385 162 I 4.3748 7.7471 122.7970 60.9958 37.7501 175.9618 163 L 4.6826 8.3656 127.5345 54.0116 42.7370 177.4350 164 S 4.4262 8.5028 115.0338 57.8455 64.2102 174.8518 165 D 4.4376 8.6859 120.4942 57.3131 40.9868 178.2177 166 S 4.0957 8.1307 114.5064 61.7457 62.6066 176.3746 167 S 4.0932 7.5478 118.1365 61.4555 62.8335 175.4017 168 C 4.2115 8.2866 120.4614 60.1450 38.2138 175.5256 169 K 3.7408 9.0383 122.4474 59.1126 32.9152 177.8265 *170 S 4.9881 7.2781 114.1541 55.2904 61.7294 175.7536 171 A 4.4275 7.3244 123.6512 53.1271 25.6009 176.8191 172 Y 4.8860 7.3993 114.5147 55.4491 39.0859 173.5034 173 P 4.6257 0.0000 0.0000 63.7933 31.8298 177.2047 174 G 3.9320 8.8809 108.1249 46.0840 0.0000 173.7149 175 Q 4.3707 7.8851 116.6259 55.4133 30.3628 175.4881 176 I 4.3311 7.6675 119.1625 59.7399 37.5172 175.6292 177 T 4.4263 8.2630 116.6194 60.3417 70.1268 175.4560 178 S 4.3436 8.5426 114.8614 60.1748 63.3916 174.3770 179 N 4.9706 8.0813 118.9628 53.3219 38.5110 173.7779 180 M 5.6207 7.7087 117.2579 53.9663 35.9741 174.6123 181 F 5.1334 8.7485 114.2990 56.1868 42.1691 172.5132 182 C 6.0396 9.3596 116.2834 55.4381 39.6385 173.2792 183 A 4.9942 7.8079 123.2080 51.2995 21.1780 175.7715 184 G 4.2735 7.7260 113.4124 47.1480 0.0000 171.8159 184A Y 4.7178 7.9488 121.6933 57.1111 41.7052 174.8354 185 L 3.7284 8.8781 127.2122 56.6544 40.8734 175.2266 *191 C 4.7529 7.6193 111.5349 57.9581 41.3484 171.0684 192 Q 4.5950 8.9375 118.2583 57.3888 35.7708 173.5857 193 G 3.5475 7.4963 106.6851 47.1700 0.0000 171.8766 194 D 4.2250 8.2419 118.7223 56.3927 41.2328 174.5561 195 S 4.6242 9.4411 113.9844 57.6024 63.4067 173.5320 196 G 3.9331 7.7025 110.0899 44.2496 0.0000 173.2737 197 G 3.9574 8.2919 109.0503 43.8391 0.0000 171.4063 198 P 4.7109 0.0000 0.0000 62.6483 33.2781 175.9010 199 V 4.2357 8.6475 121.7856 62.0679 32.2512 175.1189 200 V 4.6156 8.2678 130.0525 61.6960 32.1678 173.7809 201 C 4.8066 8.5465 126.0926 56.2702 37.5288 174.0013 202 S 3.6892 9.3479 125.5455 59.5969 59.9658 172.4311 203 G 4.0083 8.3086 107.5633 45.3697 0.0000 173.3411 204 K 4.8020 7.2718 118.4318 53.5937 33.9369 175.0038 *209 L 4.2488 8.2920 124.5283 55.5700 42.2296 175.6295 210 Q 4.4712 9.0614 126.5301 57.3575 30.7404 176.2642 211 G 5.0881 7.9552 103.8744 45.8563 0.0000 171.9771 212 I 5.1519 8.3522 121.6866 58.7439 41.1536 175.1248 213 V 3.1768 8.6564 126.3979 63.8437 31.3064 173.7792 214 S 4.5712 8.3519 122.2770 58.6979 63.5077 175.3115 215 W 4.1915 7.8927 125.1096 57.0664 30.0790 176.1075 216 G 4.3196 7.1014 104.1716 44.5286 0.0000 171.9686 217 S 4.4251 8.1418 117.7790 57.4149 62.8714 173.5925 *219 G 4.5604 8.1177 113.3869 46.4177 0.0000 170.7754 220 C 5.3664 8.7389 116.1170 54.8948 42.5271 174.5365 221 A 3.9635 9.1613 128.1243 56.1913 18.4359 179.6359 221A Q 4.1284 7.8643 116.8393 54.9700 25.9437 174.6177 *222 K 3.6698 7.7582 126.0017 53.4279 28.9206 174.6178 *225 P 4.4460 0.0000 0.0000 61.8934 33.5729 175.4477 226 G 4.4871 8.6430 107.3308 44.7803 0.0000 172.7517 227 V 4.7803 8.4652 120.8122 61.0533 34.0928 174.2211 228 Y 4.9784 8.6987 124.6801 56.3303 42.5627 174.3396 229 T 4.8396 8.8987 117.6754 62.4664 70.6773 175.3552 230 K 4.5924 9.5062 126.5532 55.9726 31.4247 177.8028 231 V 3.8317 8.6411 124.9197 66.2420 31.2840 176.4352 232 C 4.1293 8.4628 116.8514 59.9126 43.3212 174.5513 233 N 4.4162 8.2396 115.2125 53.7198 38.4796 174.9166 234 Y 4.8617 8.4110 117.3948 57.0487 39.9373 177.5486 235 V 3.7058 8.1363 115.2989 64.6766 31.5487 178.1448 236 S 4.0690 8.0580 112.0970 61.2594 62.4131 175.9089 237 W 4.1693 8.3047 130.5655 60.3304 30.5178 177.9088 238 I 3.0715 8.3969 120.2925 64.1035 36.5677 178.6012 239 K 3.7668 8.2102 119.6864 59.3473 31.8304 179.1566 240 Q 3.8367 7.8551 119.7958 59.5875 28.6956 178.6793 241 T 3.5469 7.0634 115.5109 66.3796 68.2361 176.6214 242 I 2.6460 7.0984 121.5341 63.7167 36.7825 178.3399 243 A 3.9741 8.0400 121.4825 53.9965 18.1989 178.7726 244 S 4.6205 7.3605 109.6517 58.1865 63.5380 174.0911 245 N 4.6505 7.6654 125.1688 53.8113 39.0317 174.0718 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 42 C 8.44 4.67 0.00 2.82 3.05 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 43 G 8.11 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 44 G 8.81 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.91 4.84 0.00 4.03 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 46 L 8.91 4.70 0.00 1.58 1.64 0.93 0.92 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 47 I 8.36 4.29 1.90 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 1.59 0.70 0.96 0.00 0.00 48 N 7.61 4.51 0.00 2.96 2.97 0.00 0.00 5.85 7.64 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 49 S 8.92 4.28 0.00 3.86 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 50 Q 9.34 4.45 0.00 1.94 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.57 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 51 W 8.20 5.29 0.00 3.24 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.70 5.06 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 0.79 0.00 0.00 1.01 0.00 0.00 53 V 8.82 4.99 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 0.92 0.00 0.00 1.07 0.00 0.00 54 S 8.79 4.86 0.00 3.94 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 55 A 8.09 4.66 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.09 3.98 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.46 4.34 0.00 3.15 3.40 0.00 5.56 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.59 4.23 0.00 2.10 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 59 Y 7.37 4.68 0.00 2.95 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.94 3.62 0.00 1.89 1.85 0.00 1.87 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.45 7.81 *61 S 7.85 4.01 0.00 3.86 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 *85 A 7.48 4.28 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.10 4.67 0.00 3.81 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 87 K 7.48 4.64 0.00 1.79 1.85 0.00 1.53 0.00 0.00 1.84 0.00 0.00 2.80 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.25 1.37 7.81 88 S 8.55 5.08 0.00 3.68 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 89 I 8.87 4.62 2.04 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 1.23 0.87 1.13 0.00 0.00 90 V 8.30 4.08 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 0.64 0.00 0.00 0.91 0.00 0.00 91 H 8.52 3.34 0.00 2.66 2.93 0.00 5.66 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.29 0.00 2.18 2.19 0.00 2.51 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.90 0.00 93 S 7.88 4.70 0.00 3.94 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 94 Y 8.05 4.22 0.00 2.93 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 95 N 8.44 4.41 0.00 2.62 2.52 0.00 0.00 6.56 7.01 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 96 S 7.77 3.80 0.00 3.91 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 97 N 8.32 4.63 0.00 2.85 2.92 0.00 0.00 6.86 7.05 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 98 T 7.97 4.49 4.33 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 1.25 0.00 0.00 99 L 7.91 3.57 0.00 1.05 1.26 -0.20 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.59 4.42 0.00 2.84 2.67 0.00 0.00 7.28 6.59 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 0.00 101 N 8.81 4.40 0.00 2.89 2.57 0.00 0.00 7.23 8.06 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 0.00 102 D 7.69 4.61 0.00 2.91 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 6.96 4.77 1.49 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 1.21 0.17 0.00 0.00 104 M 9.17 5.34 0.00 1.99 2.22 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.67 0.00 105 L 8.96 5.46 0.00 1.75 1.93 0.13 0.89 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 0.00 106 I 8.91 4.85 1.79 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 0.79 0.65 0.73 0.00 0.00 107 K 8.34 3.85 0.00 0.79 0.97 0.00 1.20 0.00 0.00 1.33 0.00 0.00 2.67 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.71 0.21 7.81 108 L 7.80 4.36 0.00 1.42 1.46 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.53 3.86 0.00 1.83 1.94 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.36 7.81 *121 I 7.35 4.23 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.37 0.99 0.00 0.00 122 S 8.17 4.74 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 0.00 123 L 8.66 4.29 0.00 1.56 1.69 0.90 1.07 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 0.00 124 P 0.00 4.68 0.00 2.33 2.17 0.00 3.76 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 125 T 8.12 4.33 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 1.21 0.00 0.00 *127 S 7.63 4.61 0.00 3.88 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 0.00 128 C 8.53 4.39 0.00 2.92 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 0.00 129 A 8.56 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.02 4.48 0.00 3.88 3.87 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 *132 A 7.76 5.10 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 9.06 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 0.00 0.00 0.00 0.00 134 T 7.57 4.01 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 1.16 0.00 0.00 135 Q 8.40 4.21 0.00 2.13 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 5.59 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 136 C 10.76 4.28 0.00 3.26 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 0.00 137 L 7.74 4.71 0.00 1.78 1.76 0.93 0.38 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 0.00 138 I 7.74 5.01 1.93 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 1.33 1.56 1.03 0.00 0.00 *157 C 8.09 4.03 0.00 2.78 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 0.00 158 L 8.79 3.71 0.00 1.79 1.58 0.92 0.77 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 *159 K 8.45 4.45 0.00 1.77 1.61 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.33 1.00 7.81 160 A 7.94 4.73 1.16 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 0.00 161 P 0.00 4.86 0.00 2.04 2.09 0.00 3.15 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.72 0.00 162 I 7.75 4.37 1.93 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.63 0.82 0.00 0.00 163 L 8.37 4.68 0.00 1.64 1.65 0.94 1.10 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 0.00 164 S 8.50 4.43 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 0.00 165 D 8.69 4.44 0.00 2.86 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 0.00 166 S 8.13 4.10 0.00 4.10 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 0.00 167 S 7.55 4.09 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 0.00 168 C 8.29 4.21 0.00 3.30 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 K 9.04 3.74 0.00 2.07 1.91 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.73 7.81 *170 S 7.28 4.99 0.00 3.63 3.65 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 0.00 171 A 7.32 4.43 0.99 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 0.00 172 Y 7.40 4.89 0.00 3.06 2.66 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 0.00 0.00 0.00 0.00 173 P 0.00 4.63 0.00 2.15 2.07 0.00 3.42 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 174 G 8.88 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 Q 7.89 4.37 0.00 2.10 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.68 0.00 0.00 0.00 0.00 0.00 1.54 1.91 0.00 176 I 7.67 4.33 1.96 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.64 1.01 0.00 0.00 177 T 8.26 4.43 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 178 S 8.54 4.34 0.00 4.03 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 0.00 179 N 8.08 4.97 0.00 2.87 3.08 0.00 0.00 6.63 7.55 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 0.00 180 M 7.71 5.62 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 181 F 8.75 5.13 0.00 3.17 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 0.00 182 C 9.36 6.04 0.00 3.07 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 0.00 183 A 7.81 4.99 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 0.00 184 G 7.73 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 184A Y 7.95 4.72 0.00 2.93 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 0.00 185 L 8.88 3.73 0.00 1.85 1.81 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 *191 C 7.62 4.75 0.00 3.01 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 0.00 192 Q 8.94 4.60 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.10 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 193 G 7.50 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 D 8.24 4.22 0.00 2.83 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 S 9.44 4.62 0.00 3.80 3.77 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 0.00 196 G 7.70 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 G 8.29 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 0.00 198 P 0.00 4.71 0.00 2.19 2.26 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 199 V 8.65 4.24 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 0.86 0.00 0.00 -0.06 0.00 0.00 200 V 8.27 4.62 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 0.95 0.00 0.00 201 C 8.55 4.81 0.00 2.91 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 0.00 202 S 9.35 3.69 0.00 4.05 4.01 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 0.00 203 G 8.31 4.01 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 0.00 204 K 7.27 4.80 0.00 1.89 1.71 0.00 1.91 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.44 7.81 *209 L 8.29 4.25 0.00 1.70 1.71 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 9.06 4.47 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.46 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 211 G 7.96 5.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 I 8.35 5.15 1.92 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 1.31 0.86 0.92 0.00 0.00 213 V 8.66 3.18 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 0.60 0.00 0.00 0.84 0.00 0.00 214 S 8.35 4.57 0.00 3.47 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 0.00 215 W 7.89 4.19 0.00 3.01 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 0.00 216 G 7.10 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 S 8.14 4.43 0.00 3.81 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 G 8.12 4.56 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 0.00 220 C 8.74 5.37 0.00 2.88 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 0.00 221 A 9.16 3.96 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 221A Q 7.86 4.13 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.03 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 *222 K 7.76 3.67 0.00 1.95 1.83 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.23 1.02 7.81 *225 P 0.00 4.45 0.00 2.36 2.20 0.00 3.58 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 2.05 2.31 0.00 226 G 8.64 4.49 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 0.00 227 V 8.47 4.78 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 0.98 0.00 0.00 0.48 0.00 0.00 228 Y 8.70 4.98 0.00 1.65 2.68 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 0.00 229 T 8.90 4.84 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 1.26 0.00 0.00 230 K 9.51 4.59 0.00 1.95 1.94 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.93 1.94 7.81 231 V 8.64 3.83 2.34 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 1.12 0.00 0.00 1.06 0.00 0.00 232 C 8.46 4.13 0.00 3.01 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 0.00 233 N 8.24 4.42 0.00 2.46 2.23 0.00 0.00 6.81 7.36 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 0.00 234 Y 8.41 4.86 0.00 3.09 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 0.00 235 V 8.14 3.71 2.11 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 0.96 0.00 0.00 0.95 0.00 0.00 236 S 8.06 4.07 0.00 3.91 3.92 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 0.00 237 W 8.30 4.17 0.00 3.54 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 I 8.40 3.07 2.01 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 1.65 1.32 0.76 0.00 0.00 239 K 8.21 3.77 0.00 1.68 1.75 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.55 7.81 240 Q 7.86 3.84 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 241 T 7.06 3.55 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 0.71 0.00 0.00 242 I 7.10 2.65 1.41 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 -0.00 0.44 0.21 0.00 0.00 243 A 8.04 3.97 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 0.00 244 S 7.36 4.62 0.00 3.96 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 0.00 245 N 7.67 4.65 0.00 2.82 3.02 0.00 0.00 6.74 7.23 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 * Residues marked with a * may have inaccurate shift predictions.