NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 94 K 4.3721 8.3149 122.1406 54.4983 33.4544 174.7514 95 I 4.6680 7.9413 121.8054 59.0654 41.4186 173.3667 96 L 4.4033 8.7225 121.3548 53.3920 45.5912 172.3125 97 P 4.2375 0.0000 0.0000 63.6695 30.6621 175.1745 98 H 4.8681 8.5517 117.8955 53.1937 29.8442 173.7827 99 R 3.9897 8.7528 122.5071 58.9714 28.3490 177.1019 100 Y 4.2819 7.9527 120.3324 56.0276 39.4449 174.2104 101 P 3.9909 0.0000 0.0000 64.6632 31.2922 176.3171 102 F 4.8245 6.2834 115.8980 55.0090 40.5802 175.0110 103 L 4.4066 8.7511 127.7369 55.3049 42.0395 176.2490 104 L 4.7671 10.2725 128.1432 54.6547 42.0876 176.6900 105 V 4.3827 7.6632 118.0111 61.3244 33.6446 174.5114 106 D 4.6737 9.0043 128.2518 56.7888 41.6504 177.1598 107 K 4.5966 7.8522 117.6582 54.9227 36.1005 174.9553 108 V 4.7388 8.4565 126.7510 61.5615 32.2705 175.0842 109 I 4.3767 8.3857 121.5299 60.7108 38.5497 175.0526 110 Y 4.6401 7.5814 120.9804 57.6694 41.9158 172.0953 111 M 4.6933 7.5756 124.2178 54.5823 35.6578 173.4618 112 Q 4.3444 9.1816 125.8421 53.1716 31.5862 173.4305 113 P 4.0788 0.0000 0.0000 64.4093 31.7225 176.2327 114 N 3.9880 8.9111 118.5465 53.6883 36.2795 174.5253 115 K 4.4634 7.5472 115.9143 56.8138 34.6454 176.2411 116 T 5.1435 7.4782 112.0414 61.2176 72.3282 172.0938 117 I 5.0018 8.6126 123.6053 59.5531 42.0736 173.3594 118 I 5.1333 9.3392 129.7624 59.6715 40.2551 174.9850 119 G 4.8243 9.3230 113.5295 44.9766 0.0000 170.5636 120 L 5.3215 9.1442 118.9942 54.4997 44.5790 174.8180 121 K 4.9861 9.1121 120.5513 55.0506 35.7579 175.0611 122 Q 4.5636 10.3022 128.5635 54.8260 29.1256 176.0659 123 V 4.0093 8.7213 126.3093 63.1519 32.0381 175.5537 124 S 5.0227 9.3288 125.2011 57.4166 64.7349 175.7319 125 T 3.9160 8.5252 110.9891 63.4868 69.0165 174.8822 126 N 4.5404 7.9265 119.1697 53.4234 39.5392 174.3413 127 E 3.6380 7.6733 118.6878 56.4750 30.4165 175.7650 128 P 3.8991 0.0000 0.0000 65.5284 31.3165 177.8680 129 F 4.5611 7.1884 109.5643 57.6671 38.1593 175.7250 130 F 4.9407 7.6504 120.7036 59.0948 39.6006 175.9695 131 N 4.6487 7.9372 117.0016 50.6085 39.2116 175.9375 132 G 5.0241 7.6728 125.1245 47.0926 0.0000 171.4500 133 H 4.7402 7.2258 113.5036 54.7531 31.0785 173.6546 134 F 4.6363 8.3600 119.8501 55.1453 38.3788 173.4723 135 P 4.5948 0.0000 0.0000 61.5181 32.8263 177.0677 136 Q 4.0794 8.4108 119.0531 57.6388 29.2550 175.6472 137 K 4.4149 7.6489 117.8190 54.3019 34.6205 175.0464 138 Q 4.1840 8.5371 125.8646 55.4270 29.1925 175.3446 139 I 4.8931 8.2431 123.0783 59.3736 40.7470 174.9367 140 M 4.2630 9.3901 128.3906 55.1054 32.8870 174.2067 141 P 4.0878 0.0000 0.0000 62.2313 32.2829 177.6158 142 G 2.9157 8.3495 111.0748 47.7840 0.0000 175.7775 143 V 3.8149 7.4344 119.7362 65.9472 31.5722 177.6270 144 L 3.8767 7.6143 117.5574 56.5878 41.4416 179.1274 145 Q 4.0425 7.9872 118.7486 58.5621 28.6344 178.4079 146 I 3.7182 7.6718 120.5885 64.3874 37.2465 177.7967 147 E 3.8593 8.0437 119.5224 59.0762 29.3650 178.7231 148 A 3.9693 7.9794 120.7225 55.3407 18.5104 179.7524 149 L 4.0046 7.9419 117.0164 57.5279 41.5461 179.6299 150 A 3.8790 7.9640 121.2593 54.9597 18.2015 179.7229 151 Q 3.9218 8.2546 116.8247 58.7429 28.7508 178.4510 152 L 3.8569 7.9488 121.1881 58.2324 42.0888 178.8919 153 A 3.9662 8.1535 120.8065 55.1005 18.2823 179.6932 154 G 3.2314 7.9518 104.1926 47.8749 0.0000 175.9934 155 I 3.6314 7.5259 121.9535 63.9603 36.9904 178.1327 156 L 3.8083 7.4905 120.7503 58.3637 41.6587 178.6180 157 C 3.7842 7.5907 115.4474 62.6362 28.1702 175.7046 158 L 4.1539 7.5277 121.4572 58.2316 41.6155 178.9328 159 K 4.2242 7.9038 115.2741 57.9393 32.1104 178.2899 160 S 4.5595 7.4873 114.5080 57.2871 63.6062 173.0520 161 D 4.9250 7.6411 124.3537 53.4841 42.3574 177.3969 162 D 5.0220 8.3034 127.9647 49.5488 40.6374 171.9349 163 S 4.5823 8.1521 127.6033 58.9018 65.9551 180.3555 *167 N 4.3583 9.4072 111.3477 52.6193 39.8907 174.1582 168 L 4.5093 7.7716 124.7017 53.6582 45.8633 174.2472 169 F 5.2333 9.0544 125.3917 56.1231 40.4143 174.9471 170 L 4.6968 9.2638 125.6460 53.0376 43.5248 176.0378 171 F 4.4977 9.1872 125.8705 58.9468 39.0288 174.0558 172 A 4.4085 8.4646 128.8299 52.4506 20.6309 176.3119 173 G 3.9059 7.1622 100.4967 45.8775 0.0000 173.0071 174 V 5.0398 8.0470 119.2292 60.3272 34.2524 173.6449 175 D 4.7454 9.5137 123.8182 51.9297 45.0537 175.3848 176 G 4.1225 8.0068 105.7287 45.3340 0.0000 172.2232 177 V 4.3852 7.0864 116.4242 61.3932 33.5878 175.8181 178 R 4.3368 8.6284 126.7910 54.0938 33.6105 174.3711 179 W 4.9094 8.7401 124.4201 55.8320 29.4430 176.2480 180 K 4.3427 9.0796 125.8391 58.1487 32.3232 177.6254 181 K 4.6891 7.8059 117.4750 53.6936 35.4698 173.6226 182 P 4.5310 0.0000 0.0000 62.5750 32.4265 175.7702 183 V 4.5648 8.4165 122.2828 61.3080 33.9701 174.4816 184 L 5.2043 9.4342 127.5030 51.9423 45.2345 174.3900 185 P 4.7335 0.0000 0.0000 64.3988 31.6678 177.2421 186 G 4.0321 9.7071 112.3587 45.1154 0.0000 173.5042 187 D 4.7251 8.1230 119.7527 54.2006 43.0163 175.8547 188 T 4.8735 8.3915 118.0773 61.9220 70.6296 173.6124 189 L 4.5336 8.9771 131.1160 54.7130 43.2235 175.4416 190 T 4.9865 9.0764 124.6343 62.6726 70.4141 174.1599 191 M 5.4799 9.3747 125.1071 53.7474 36.7886 174.2227 192 Q 5.1622 9.1099 121.5363 54.5236 33.2173 173.4254 193 A 5.2685 9.0171 127.0438 50.1736 22.6477 174.4261 194 N 5.4137 8.6511 118.7322 50.9057 41.9745 173.8611 195 L 4.2575 9.0447 127.0363 55.8442 42.1680 176.0129 196 I 4.3345 9.1258 127.4437 63.0139 38.4097 176.0451 197 S 4.7250 7.8289 115.4904 56.8640 67.6193 173.3781 198 F 5.2987 8.2595 121.5148 56.8671 39.1603 175.3090 199 K 4.2101 8.5502 121.5836 56.0917 31.7218 178.3442 200 S 4.0719 8.8194 119.8797 61.2413 62.7356 176.7167 201 S 4.1195 8.1490 113.0618 61.4488 62.7292 175.3064 202 L 4.0900 7.9646 118.3506 54.5092 41.3416 177.0532 203 G 3.9733 7.9571 106.9196 46.5132 0.0000 172.9467 204 I 4.9699 7.7352 118.4168 58.9678 41.2036 174.5676 205 A 5.3532 9.2417 126.4679 50.2158 22.2758 175.4346 206 K 5.3502 9.2302 119.9768 54.7975 36.1438 175.5738 207 L 5.3610 9.1906 123.3969 53.2293 46.7321 175.8074 208 S 5.1376 8.7356 116.2656 57.4240 66.1835 172.8759 209 G 4.4816 8.7552 105.7610 45.3319 0.0000 172.3570 210 V 4.8329 8.8360 120.9356 60.8768 35.6371 174.0511 211 G 4.4824 8.7103 113.2454 44.6771 0.0000 171.2106 212 Y 5.4785 9.5245 120.4239 56.2340 43.5001 174.7803 213 V 4.6969 8.3737 119.8995 61.1044 34.8144 174.8141 214 N 4.3755 9.7218 126.7684 54.6197 35.5994 175.8192 215 G 3.8587 8.4923 105.1337 45.4535 0.0000 174.0256 216 K 4.5202 7.6377 120.1348 54.1207 33.2768 176.1461 217 V 3.9898 8.6492 123.9381 63.8842 31.8294 175.6470 218 V 4.4961 8.9103 118.7145 61.4405 34.5636 175.1523 219 I 4.9365 7.2759 119.2176 59.8373 41.4922 172.8539 220 N 5.1937 9.0403 125.2649 51.5592 42.8850 173.8960 221 I 4.7936 8.5315 122.5109 59.9410 40.0944 175.9720 222 S 4.1462 9.0952 125.3377 61.3646 63.9785 174.7386 223 E 5.0359 8.1995 119.1930 55.2137 33.5956 173.6783 224 M 5.2200 9.5998 126.5338 53.9673 35.3375 174.5732 225 T 5.1910 9.1243 120.8261 62.0193 71.2112 173.6861 226 F 5.3480 9.6324 124.2273 55.7261 42.5812 174.1743 227 A 5.1978 9.3552 124.9791 50.0993 22.0383 175.2278 228 L 4.2604 7.8473 121.2547 55.3604 43.1153 177.1855 229 S 4.2324 9.4004 122.0805 59.0310 63.1887 169.5642 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 94 K 8.31 4.37 0.00 1.79 1.67 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 95 I 7.94 4.67 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.89 0.85 0.00 0.00 96 L 8.72 4.40 0.00 1.58 1.58 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.24 0.00 2.12 2.16 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 98 H 8.55 4.87 0.00 3.27 3.28 0.00 5.53 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.75 3.99 0.00 1.99 2.17 0.00 3.33 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 100 Y 7.95 4.28 0.00 3.14 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 0.00 101 P 0.00 3.99 0.00 0.85 1.60 0.00 2.50 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.39 0.00 102 F 6.28 4.82 0.00 3.30 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.75 4.41 0.00 1.64 1.68 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 104 L 10.27 4.77 0.00 1.75 1.74 0.82 1.18 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 0.00 105 V 7.66 4.38 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.96 0.00 0.00 106 D 9.00 4.67 0.00 2.78 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 7.85 4.60 0.00 1.80 1.60 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.46 7.81 108 V 8.46 4.74 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 0.91 0.00 0.00 0.93 0.00 0.00 109 I 8.39 4.38 1.92 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 0.85 0.94 0.00 0.00 110 Y 7.58 4.64 0.00 3.02 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 0.00 111 M 7.58 4.69 0.00 1.84 1.74 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 112 Q 9.18 4.34 0.00 1.80 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.15 2.04 0.00 113 P 0.00 4.08 0.00 1.95 1.94 0.00 3.69 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 1.96 2.04 0.00 114 N 8.91 3.99 0.00 2.70 2.73 0.00 0.00 6.81 8.36 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 0.00 115 K 7.55 4.46 0.00 1.72 1.58 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.44 7.81 116 T 7.48 5.14 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 1.33 0.00 0.00 117 I 8.61 5.00 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.31 0.96 0.00 0.00 118 I 9.34 5.13 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.96 1.03 0.00 0.00 119 G 9.32 4.82 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 0.00 0.00 0.00 120 L 9.14 5.32 0.00 1.82 1.77 0.98 0.73 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 0.00 121 K 9.11 4.99 0.00 1.97 1.69 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.41 1.66 7.81 122 Q 10.30 4.56 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 123 V 8.72 4.01 2.41 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 1.32 0.00 0.00 1.08 0.00 0.00 124 S 9.33 5.02 0.00 3.80 3.76 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 0.00 125 T 8.53 3.92 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 1.11 0.00 0.00 126 N 7.93 4.54 0.00 2.68 2.82 0.00 0.00 6.94 7.65 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 0.00 127 E 7.67 3.64 0.00 1.84 1.12 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 1.47 1.60 0.00 128 P 0.00 3.90 0.00 0.78 1.14 0.00 3.09 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.62 0.00 129 F 7.19 4.56 0.00 2.97 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 0.00 130 F 7.65 4.94 0.00 2.99 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 0.00 131 N 7.94 4.65 0.00 2.70 2.64 0.00 0.00 6.90 7.53 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 0.00 132 G 7.67 5.02 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 0.00 0.00 0.00 133 H 7.23 4.74 0.00 3.20 3.18 0.00 5.50 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.36 4.64 0.00 3.00 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 0.00 135 P 0.00 4.59 0.00 2.23 1.86 0.00 3.64 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 136 Q 8.41 4.08 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 137 K 7.65 4.41 0.00 1.67 1.60 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.36 7.81 138 Q 8.54 4.18 0.00 1.64 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.47 0.00 0.00 0.00 0.00 0.00 2.12 1.89 0.00 139 I 8.24 4.89 1.93 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.62 0.94 0.00 0.00 140 M 9.39 4.26 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.30 0.00 141 P 0.00 4.09 0.00 1.82 1.77 0.00 3.06 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.04 0.00 142 G 8.35 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 0.00 0.00 0.00 143 V 7.43 3.81 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.98 0.00 0.00 144 L 7.61 3.88 0.00 1.19 1.02 0.15 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 145 Q 7.99 4.04 0.00 2.58 2.25 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 2.40 2.35 0.00 146 I 7.67 3.72 2.22 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 1.54 1.00 1.09 0.00 0.00 147 E 8.04 3.86 0.00 1.92 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 1.70 2.28 0.00 148 A 7.98 3.97 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 0.00 149 L 7.94 4.00 0.00 1.85 1.71 0.88 0.80 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 0.00 150 A 7.96 3.88 0.58 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 0.00 0.00 151 Q 8.25 3.92 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.74 0.00 0.00 0.00 0.00 0.00 2.44 2.67 0.00 152 L 7.95 3.86 0.00 1.89 1.77 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 153 A 8.15 3.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 G 7.95 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 0.00 0.00 0.00 155 I 7.53 3.63 1.97 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 1.37 0.99 0.86 0.00 0.00 156 L 7.49 3.81 0.00 1.59 1.57 0.81 1.29 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 0.00 157 C 7.59 3.78 0.00 2.47 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 7.53 4.15 0.00 2.00 1.66 1.05 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 159 K 7.90 4.22 0.00 1.69 1.78 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.55 7.81 160 S 7.49 4.56 0.00 3.78 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 0.00 161 D 7.64 4.92 0.00 3.05 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 0.00 162 D 8.30 5.02 0.00 2.72 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 S 8.15 4.58 0.00 4.00 3.52 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 *167 N 9.41 4.36 0.00 2.58 2.83 0.00 0.00 6.50 7.85 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 0.00 168 L 7.77 4.51 0.00 1.55 1.45 0.97 0.98 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 0.00 169 F 9.05 5.23 0.00 2.98 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 0.00 170 L 9.26 4.70 0.00 1.63 1.66 0.94 0.95 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 0.00 171 F 9.19 4.50 0.00 2.87 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 0.00 172 A 8.46 4.41 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 0.00 173 G 7.16 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 0.00 0.00 0.00 174 V 8.05 5.04 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 0.61 0.00 0.00 1.00 0.00 0.00 175 D 9.51 4.75 0.00 2.57 2.52 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 0.00 176 G 8.01 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 0.00 0.00 0.00 177 V 7.09 4.39 1.57 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 -0.21 0.00 0.00 0.74 0.00 0.00 178 R 8.63 4.34 0.00 1.55 1.68 0.00 3.26 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.63 0.00 179 W 8.74 4.91 0.00 3.37 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 K 9.08 4.34 0.00 1.75 1.88 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.51 7.81 181 K 7.81 4.69 0.00 1.69 1.65 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.47 7.81 182 P 0.00 4.53 0.00 2.00 1.98 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 183 V 8.42 4.56 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 1.18 0.00 0.00 1.04 0.00 0.00 184 L 9.43 5.20 0.00 1.59 1.54 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 185 P 0.00 4.73 0.00 1.92 1.89 0.00 3.55 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.39 0.00 186 G 9.71 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 0.00 187 D 8.12 4.73 0.00 2.91 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 0.00 188 T 8.39 4.87 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 0.00 189 L 8.98 4.53 0.00 1.83 1.63 1.03 0.92 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 0.00 190 T 9.08 4.99 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 191 M 9.37 5.48 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.48 0.00 192 Q 9.11 5.16 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 193 A 9.02 5.27 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 0.00 194 N 8.65 5.41 0.00 2.68 2.69 0.00 0.00 6.43 6.76 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 0.00 195 L 9.04 4.26 0.00 1.43 1.46 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 196 I 9.13 4.33 2.02 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 1.25 0.91 0.95 0.00 0.00 197 S 7.83 4.72 0.00 3.81 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 F 8.26 5.30 0.00 2.75 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 0.00 199 K 8.55 4.21 0.00 1.89 1.80 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.56 7.81 200 S 8.82 4.07 0.00 3.89 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 0.00 201 S 8.15 4.12 0.00 4.02 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 0.00 202 L 7.96 4.09 0.00 1.67 1.77 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 203 G 7.96 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 0.00 204 I 7.74 4.97 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 1.34 1.16 0.99 0.00 0.00 205 A 9.24 5.35 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 0.00 206 K 9.23 5.35 0.00 1.77 1.75 0.00 1.67 0.00 0.00 1.92 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.48 7.81 207 L 9.19 5.36 0.00 1.70 1.61 0.92 0.43 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 0.00 208 S 8.74 5.14 0.00 3.98 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 G 8.76 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 V 8.84 4.83 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 0.27 0.00 0.00 0.88 0.00 0.00 211 G 8.71 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 Y 9.52 5.48 0.00 2.80 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 0.00 213 V 8.37 4.70 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 1.15 0.00 0.00 1.06 0.00 0.00 214 N 9.72 4.38 0.00 2.95 2.93 0.00 0.00 7.22 7.65 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 0.00 215 G 8.49 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 0.00 216 K 7.64 4.52 0.00 2.07 1.80 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.55 7.81 217 V 8.65 3.99 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 0.72 0.00 0.00 0.93 0.00 0.00 218 V 8.91 4.50 2.30 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 0.78 0.00 0.00 1.01 0.00 0.00 219 I 7.28 4.94 2.12 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 1.17 1.31 0.88 0.00 0.00 220 N 9.04 5.19 0.00 2.50 2.53 0.00 0.00 6.67 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 0.00 221 I 8.53 4.79 1.82 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 1.05 0.57 0.92 0.00 0.00 222 S 9.10 4.15 0.00 3.73 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 0.00 223 E 8.20 5.04 0.00 1.99 1.73 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 2.24 2.34 0.00 224 M 9.60 5.22 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 225 T 9.12 5.19 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 1.25 0.00 0.00 226 F 9.63 5.35 0.00 3.14 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 A 9.36 5.20 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 L 7.85 4.26 0.00 1.65 1.42 0.16 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 229 S 9.40 4.23 0.00 4.04 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 * Residues marked with a * may have inaccurate shift predictions.