NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.3464 8.1832 118.6229 53.9461 39.5165 175.1191 2 L 4.1094 8.4640 127.4314 57.4940 41.9765 177.8535 3 L 4.0608 9.2724 120.2816 57.9845 41.8674 179.5669 4 Q 4.1239 9.3886 118.8003 58.9590 28.8320 178.0290 5 F 4.4904 8.4776 121.1508 61.6328 39.0318 176.6214 6 N 4.1390 8.4299 115.6724 56.1023 38.7717 176.9650 7 K 4.0969 7.6042 119.7622 59.7608 32.2919 178.5122 8 M 4.0505 8.1673 119.0328 58.8245 32.0523 178.8277 9 I 3.5133 8.0169 119.9529 64.2509 37.1328 178.3863 10 K 3.9732 7.7756 120.0655 59.1087 31.7956 178.4043 *12 E 4.3442 7.9722 116.8967 56.3549 31.5006 176.9244 13 E 4.1011 8.5577 118.0711 58.7225 29.6099 177.7589 14 T 4.2334 7.6932 106.0146 60.6956 70.1756 175.5771 15 G 3.8924 8.1204 110.0880 45.0297 0.0000 173.2922 16 K 4.4062 7.3153 117.5215 54.2891 35.1073 176.1175 17 N 4.4522 8.6685 118.4617 53.0233 38.7177 174.3886 18 A 4.0103 8.2160 123.2658 55.9613 18.9245 177.2674 19 I 4.2805 7.5131 115.8231 60.3762 37.9066 174.5622 20 P 4.5613 0.0000 0.0000 63.4185 32.6229 177.6326 21 F 4.3347 7.3332 116.8372 59.9562 38.7343 175.7277 22 Y 4.4037 8.7569 114.6657 57.3492 39.4717 176.5946 23 A 4.1622 7.8990 122.4228 54.2296 19.1027 177.7468 24 F 5.4253 8.3353 114.2992 55.6441 39.7762 172.5621 25 Y 4.7717 8.4983 123.2225 56.5000 42.8296 176.0150 26 G 3.6472 7.7067 114.8901 46.5017 0.0000 172.5527 27 C 4.5852 9.8409 115.4515 57.4762 41.6451 175.1296 28 Y 4.5407 8.3354 116.1116 59.5305 38.8922 175.5566 29 C 4.8784 8.3284 117.8985 57.1675 39.3288 173.3515 30 G 4.2037 8.3517 118.8387 44.6345 0.0000 172.9565 31 G 3.7906 8.8745 115.5614 46.1127 0.0000 172.2859 32 G 4.0400 8.4594 107.3928 46.5101 0.0000 174.9818 33 G 4.3324 7.7678 117.6259 43.4099 0.0000 174.9794 34 N 4.3828 8.5830 124.0250 52.4096 39.8141 174.3046 35 G 4.1229 7.5631 104.6543 44.3646 0.0000 176.0032 36 K 4.6557 8.4147 125.9293 53.0509 34.0362 172.8749 37 P 4.5915 0.0000 0.0000 62.9316 31.1973 176.9571 38 K 3.5666 8.7348 124.2825 59.0342 32.4478 176.4154 39 D 4.5411 7.4946 115.0201 52.4139 43.8398 176.3237 40 G 3.6231 8.6224 104.4776 48.8581 0.0000 175.5884 41 T 4.1408 8.1272 118.3849 66.6234 68.5963 175.9279 42 D 4.7348 9.5297 119.9123 57.4540 41.1356 178.6900 43 R 4.0612 8.1669 118.7378 59.4462 30.0648 177.8804 44 C 4.0144 8.3199 116.4137 60.5173 36.8423 175.8243 45 C 4.4562 8.3526 117.3549 60.1667 37.2518 175.5101 46 F 4.3491 8.2500 123.3951 60.7414 38.6733 177.1874 47 V 3.0310 8.2332 117.5747 66.3010 31.2086 177.3669 48 H 3.6645 8.3762 118.0392 59.2253 29.5376 176.8168 49 D 4.1541 8.2691 120.8510 57.5804 40.6849 177.8196 50 C 3.9056 7.8823 117.2358 60.5189 36.4947 175.0893 51 C 4.0290 8.5234 120.3082 60.2309 41.4289 175.1603 52 Y 4.1332 8.4275 118.4153 60.3445 37.2498 179.1366 53 G 3.4575 7.9281 106.7517 47.7637 0.0000 175.3926 54 R 4.0777 7.4101 120.4352 58.3378 31.2312 178.8813 55 L 4.3278 7.0737 115.2878 54.0218 40.1637 177.8229 56 V 3.6331 7.8447 116.1383 64.5585 32.2422 178.8038 *59 N 4.8736 7.9781 113.4574 52.7654 39.2387 175.3397 *61 C 4.2627 7.6742 114.8159 56.5959 42.5357 172.9812 *67 N 5.0252 8.4625 119.5802 53.1588 39.0695 175.1245 68 T 3.5403 7.5042 109.3718 64.1460 69.4045 175.8436 69 K 4.2818 7.9637 121.0086 57.7793 32.8174 177.9686 70 S 4.4203 7.6299 110.5795 58.3586 63.7510 172.9191 71 D 4.3261 7.9229 119.1219 54.2386 40.5214 175.7284 72 I 3.8442 8.2764 128.7431 61.3433 37.6669 175.2908 73 Y 5.0943 7.3113 122.7690 55.1011 40.7015 174.4187 74 S 5.0849 8.6306 114.0348 57.5191 66.6422 172.9906 75 Y 5.3240 8.2528 120.2989 56.2940 40.9507 173.0891 76 S 4.5550 9.0414 114.6906 56.5525 67.5006 172.6331 77 L 4.7781 8.4909 120.4482 53.1719 42.9273 174.7126 78 K 4.5870 8.5726 126.9316 55.6890 34.3899 175.7404 79 E 3.9340 9.9744 123.0805 57.4104 27.2017 175.5273 80 G 3.8001 8.4896 102.9975 46.0271 0.0000 173.4569 81 Y 4.8021 8.4117 117.5193 55.8167 40.5130 174.9713 82 I 4.8252 8.4278 124.9408 60.7964 38.7195 175.2022 83 T 4.7412 8.5403 120.4472 61.9946 71.6383 172.8356 84 C 5.0328 9.0437 123.5965 56.4783 41.7115 172.9894 85 G 4.1948 9.2032 109.9004 43.8422 0.0000 172.6042 86 K 4.3310 7.9937 118.8275 55.8111 32.6403 175.8730 *88 G 4.5539 8.2697 105.9629 45.8531 0.0000 172.9816 89 T 4.0786 8.1626 109.5141 61.1670 70.6543 174.4525 90 N 4.0949 8.7315 122.5749 57.4049 38.8240 177.2204 91 C 4.2745 8.3037 116.9871 60.3726 38.5483 176.0051 92 E 4.1763 7.9989 119.3007 59.6105 28.6199 179.2984 93 E 3.8578 8.3681 118.6711 59.4562 29.2857 179.3803 94 Q 3.9258 8.5387 117.8258 59.0526 29.1294 178.7062 95 I 3.6757 8.4326 121.6318 64.6589 37.1617 177.4987 96 C 2.7869 8.3101 120.1105 59.5213 37.3871 175.6148 97 E 3.6567 8.1483 119.8951 59.2570 29.0107 178.6794 98 C 4.2411 8.0498 116.9739 59.8905 41.4347 175.6392 99 D 3.3700 7.5867 119.9106 56.3748 40.5118 178.6911 100 R 3.7874 7.8766 119.4772 59.4114 30.0723 178.7949 101 V 3.4842 7.4691 117.3841 65.7569 31.4862 177.8382 102 A 3.5823 7.3672 119.5211 54.9184 18.1005 179.2668 103 A 3.8961 8.0750 119.2904 55.6416 17.9952 179.8407 104 E 3.9290 8.4715 116.9487 59.1062 29.3927 178.8997 105 C 4.2149 8.0436 119.4600 59.5871 43.5201 175.4412 106 F 4.4011 7.6923 118.5425 60.7504 38.5068 177.3838 107 R 4.0431 7.6220 117.4939 59.3886 29.9056 178.4982 108 R 4.1502 7.5491 116.1610 57.7182 30.7108 176.7785 109 N 5.1158 7.9393 116.2548 52.6880 39.2747 175.8267 110 L 4.3492 7.9636 120.4185 57.4765 42.6096 179.1569 111 D 4.6699 8.1556 113.6957 55.0029 39.0784 176.4011 112 T 4.4760 7.5905 114.5074 63.3277 70.0117 173.0161 113 Y 3.9112 8.7271 125.4583 57.4985 38.7907 174.6711 114 N 4.3206 9.3617 128.6144 52.1941 38.3990 175.0585 115 N 4.3612 8.7138 124.9653 56.2692 38.8515 177.5853 116 G 3.8094 7.9703 104.6154 47.3045 0.0000 173.4502 117 Y 4.4169 7.7535 117.6325 58.4072 38.1140 175.3097 118 M 4.0500 7.5443 120.9325 56.2133 32.7807 175.8322 119 F 3.8929 9.0547 122.4691 58.2767 37.4479 174.7311 120 Y 3.8478 7.4061 121.2458 57.5193 38.7461 176.4331 121 R 3.8194 8.0984 126.5365 56.6935 30.5943 177.5494 122 D 4.4192 8.5147 121.8874 56.8643 41.3027 178.3604 *124 S 4.3687 8.0074 114.1898 58.5587 64.4912 175.0507 125 K 4.1265 7.5231 116.2218 57.8627 31.7427 176.3240 126 C 5.4971 7.4924 116.0526 56.7691 40.4911 175.3078 127 T 4.2627 7.6258 118.3097 62.2502 67.2920 174.0408 128 E 4.6155 7.7265 121.8719 55.2051 31.9006 175.7403 129 T 3.9291 8.5018 116.8916 63.7626 68.2366 174.4275 130 S 4.4224 8.6742 122.6650 58.6458 63.7382 174.4051 131 E 4.2148 9.1158 124.5374 56.3258 30.6681 175.0155 132 E 4.7911 8.3865 122.2154 54.0405 31.5694 176.3387 133 C 4.5428 9.0101 122.9318 57.4857 41.2751 173.4841 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 1 N 8.18 5.35 0.00 2.85 2.87 0.00 0.00 7.06 5.78 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 2 L 8.46 4.11 0.00 1.93 1.85 1.07 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 3 L 9.27 4.06 0.00 2.00 1.76 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 9.39 4.12 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.74 0.00 0.00 0.00 0.00 0.00 2.69 2.43 0.00 5 F 8.48 4.49 0.00 3.32 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.43 4.14 0.00 2.92 2.86 0.00 0.00 6.99 7.15 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 7 K 7.60 4.10 0.00 2.01 2.02 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.53 7.81 8 M 8.17 4.05 0.00 2.17 2.37 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 9 I 8.02 3.51 1.75 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.46 0.40 0.00 0.00 10 K 7.78 3.97 0.00 1.87 1.95 0.00 1.42 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.50 7.81 *12 E 7.97 4.34 0.00 2.18 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 2.23 2.35 0.00 13 E 8.56 4.10 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 14 T 7.69 4.23 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 1.14 0.00 0.00 15 G 8.12 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.32 4.41 0.00 0.79 1.05 0.00 1.14 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.00 1.31 7.81 17 N 8.67 4.45 0.00 3.07 2.86 0.00 0.00 6.93 7.35 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 18 A 8.22 4.01 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 19 I 7.51 4.28 1.85 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 1.39 0.31 0.86 0.00 0.00 20 P 0.00 4.56 0.00 2.26 2.45 0.00 2.99 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.82 0.00 21 F 7.33 4.33 0.00 3.16 2.48 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 22 Y 8.76 4.40 0.00 2.56 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 23 A 7.90 4.16 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 24 F 8.34 5.43 0.00 3.05 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 25 Y 8.50 4.77 0.00 2.95 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.71 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 0.00 0.00 0.00 27 C 9.84 4.59 0.00 2.28 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 28 Y 8.34 4.54 0.00 3.29 3.37 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 29 C 8.33 4.88 0.00 3.60 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 30 G 8.35 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 0.00 0.00 0.00 0.00 31 G 8.87 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.46 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 33 G 7.77 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 0.00 0.00 0.00 0.00 34 N 8.58 4.38 0.00 2.92 2.96 0.00 0.00 6.04 7.00 0.00 0.00 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 G 7.56 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 36 K 8.41 4.66 0.00 1.64 1.60 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.38 7.81 37 P 0.00 4.59 0.00 2.26 2.18 0.00 3.63 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 1.98 2.03 0.00 38 K 8.73 3.57 0.00 1.35 1.31 0.00 1.08 0.00 0.00 1.29 0.00 0.00 2.72 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.30 0.21 7.81 39 D 7.49 4.54 0.00 2.90 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 40 G 8.62 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 0.00 0.00 0.00 41 T 8.13 4.14 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 1.10 0.00 0.00 42 D 9.53 4.73 0.00 3.20 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 43 R 8.17 4.06 0.00 2.23 2.07 0.00 3.25 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 44 C 8.32 4.01 0.00 3.34 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.35 4.46 0.00 3.47 3.48 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 46 F 8.25 4.35 0.00 1.91 3.07 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 47 V 8.23 3.03 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 0.81 0.00 0.00 1.04 0.00 0.00 48 H 8.38 3.66 0.00 3.12 3.38 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.27 4.15 0.00 2.65 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 50 C 7.88 3.91 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 51 C 8.52 4.03 0.00 2.91 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 52 Y 8.43 4.13 0.00 2.98 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 53 G 7.93 3.46 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 0.00 54 R 7.41 4.08 0.00 1.72 2.00 0.00 3.30 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.79 0.00 55 L 7.07 4.33 0.00 1.69 1.57 0.86 0.91 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 56 V 7.84 3.63 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.01 0.00 0.00 *59 N 7.98 4.87 0.00 2.83 2.97 0.00 0.00 6.39 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 *61 C 7.67 4.26 0.00 2.93 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 *67 N 8.46 5.03 0.00 2.80 2.74 0.00 0.00 7.39 7.22 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 68 T 7.50 3.54 2.69 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 1.00 0.00 0.00 69 K 7.96 4.28 0.00 1.86 1.93 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.64 1.56 7.81 70 S 7.63 4.42 0.00 3.83 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 71 D 7.92 4.33 0.00 2.80 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 72 I 8.28 3.84 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 1.42 0.60 0.84 0.00 0.00 73 Y 7.31 5.09 0.00 3.06 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 74 S 8.63 5.08 0.00 3.82 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 8.25 5.32 0.00 3.21 3.07 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 76 S 9.04 4.56 0.00 3.85 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 77 L 8.49 4.78 0.00 1.65 1.63 1.01 0.51 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 78 K 8.57 4.59 0.00 1.88 1.67 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.39 7.81 79 E 9.97 3.93 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 80 G 8.49 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 81 Y 8.41 4.80 0.00 3.16 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.43 4.83 1.93 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 1.60 0.61 1.02 0.00 0.00 83 T 8.54 4.74 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 1.24 0.00 0.00 84 C 9.04 5.03 0.00 2.95 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 85 G 9.20 4.19 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 0.00 86 K 7.99 4.33 0.00 1.79 1.82 0.00 1.99 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.37 7.81 *88 G 8.27 4.55 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 89 T 8.16 4.08 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 90 N 8.73 4.09 0.00 2.75 2.87 0.00 0.00 7.11 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 91 C 8.30 4.27 0.00 2.98 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 92 E 8.00 4.18 0.00 2.24 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 2.57 2.60 0.00 93 E 8.37 3.86 0.00 1.94 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 2.60 2.39 0.00 94 Q 8.54 3.93 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.92 0.00 0.00 0.00 0.00 0.00 2.52 2.40 0.00 95 I 8.43 3.68 1.93 0.00 0.00 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 1.09 0.76 0.88 0.00 0.00 96 C 8.31 2.79 0.00 1.74 2.79 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 97 E 8.15 3.66 0.00 2.12 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 2.36 2.41 0.00 98 C 8.05 4.24 0.00 3.34 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 99 D 7.59 3.37 0.00 2.52 2.48 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 0.00 100 R 7.88 3.79 0.00 1.92 1.82 0.00 3.35 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 101 V 7.47 3.48 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 0.95 0.00 0.00 0.97 0.00 0.00 102 A 7.37 3.58 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 0.00 0.00 0.00 0.00 0.00 103 A 8.07 3.90 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.47 3.93 0.00 2.26 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 105 C 8.04 4.21 0.00 2.95 2.79 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 0.00 106 F 7.69 4.40 0.00 2.87 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.62 4.04 0.00 1.86 2.11 0.00 3.28 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 108 R 7.55 4.15 0.00 2.04 1.99 0.00 3.35 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 109 N 7.94 5.12 0.00 2.86 2.90 0.00 0.00 7.01 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 0.00 110 L 7.96 4.35 0.00 1.72 1.70 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.16 4.67 0.00 2.78 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 0.00 112 T 7.59 4.48 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 1.24 0.00 0.00 113 Y 8.73 3.91 0.00 3.06 2.90 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 0.00 114 N 9.36 4.32 0.00 2.05 2.05 0.00 0.00 6.78 5.12 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 0.00 115 N 8.71 4.36 0.00 2.94 2.93 0.00 0.00 6.94 7.62 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 0.00 116 G 7.97 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 0.00 0.00 0.00 117 Y 7.75 4.42 0.00 2.33 1.59 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 0.00 118 M 7.54 4.05 0.00 1.59 1.83 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.04 0.00 119 F 9.05 3.89 0.00 3.08 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 0.00 120 Y 7.41 3.85 0.00 2.75 2.81 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 0.00 121 R 8.10 3.82 0.00 1.56 1.72 0.00 3.04 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 122 D 8.51 4.42 0.00 2.76 2.69 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 *124 S 8.01 4.37 0.00 3.77 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 0.00 125 K 7.52 4.13 0.00 1.24 1.61 0.00 0.71 0.00 0.00 0.61 0.00 0.00 2.34 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.08 1.05 7.81 126 C 7.49 5.50 0.00 3.23 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 0.00 127 T 7.63 4.26 4.22 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 1.20 0.00 0.00 128 E 7.73 4.62 0.00 2.04 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 2.18 2.18 0.00 129 T 8.50 3.93 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 130 S 8.67 4.42 0.00 3.85 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 0.00 131 E 9.12 4.21 0.00 1.85 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 132 E 8.39 4.79 0.00 2.02 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 2.23 2.43 0.00 133 C 9.01 4.54 0.00 3.01 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 * Residues marked with a * may have inaccurate shift predictions.