NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 P 4.5271 0.0000 0.0000 62.3011 33.5129 177.3834 30 S 4.7484 7.7363 112.5702 56.0251 63.2851 174.3763 31 R 3.7801 8.6544 120.9024 59.5713 30.2215 178.5149 32 F 4.7832 7.8026 114.5810 56.5574 38.9465 175.0897 33 V 3.8127 7.2617 121.1246 64.8442 31.4375 176.7121 34 G 4.0200 9.0909 114.0837 45.9121 0.0000 173.6826 35 Q 4.3458 7.9809 117.9598 56.1343 29.8579 175.4348 36 Y 4.7915 7.7394 117.4959 56.4103 36.3116 175.3548 37 T 4.3760 7.6302 108.5883 62.0285 70.3926 176.3532 38 L 4.2101 7.9571 122.8279 55.2224 42.2562 176.6988 39 T 4.7086 9.8517 109.9071 59.6653 70.3516 173.4459 40 S 4.8693 7.6542 116.7600 56.1301 65.7692 174.4928 41 I 3.3980 8.0863 120.1908 63.7102 37.3440 177.2712 42 H 4.5383 7.6025 116.3558 57.0720 28.6498 175.8035 43 Q 4.2559 7.9021 118.0993 56.1632 29.1622 175.8580 44 L 4.4129 7.0671 117.8608 53.1649 43.0974 176.8695 45 S 4.4232 8.1698 115.7999 58.0214 65.0672 175.5136 46 S 4.0914 8.4723 117.5392 61.7460 62.5670 176.5099 47 E 3.9277 8.1445 121.3748 59.5357 29.3524 178.6078 48 E 4.0960 8.1816 118.2103 59.0397 29.4771 179.2294 49 R 3.9080 8.3298 119.3168 59.5731 30.1095 178.4928 50 E 4.0185 8.4596 118.4687 59.3894 29.4142 179.1267 51 N 4.3377 8.1340 116.6620 56.1990 38.6238 177.2460 52 F 4.1178 8.6575 122.4001 61.3395 39.4475 177.2089 53 L 4.0462 8.3088 118.7387 57.9568 41.1846 179.2250 54 D 4.2259 8.2259 117.8649 56.8675 40.7668 177.9872 55 A 4.1402 7.3607 119.2611 53.1250 19.2975 177.4764 56 H 4.5363 7.6788 111.4624 55.0465 31.3169 173.9801 57 D 4.1155 8.0701 120.2633 53.0826 41.6277 174.4021 58 P 4.2396 0.0000 0.0000 66.2904 31.3432 178.1578 59 M 4.0223 8.0546 116.9772 58.4945 31.8485 179.1018 60 R 3.8757 7.6770 117.2392 58.9477 30.4111 178.6926 61 V 3.2517 7.6961 117.2027 66.0451 31.3321 176.3665 62 Y 4.5102 7.8557 113.9289 56.8576 38.3083 175.3595 63 D 4.3320 7.4883 118.4140 55.1775 39.7866 172.5903 64 L 4.6525 8.1753 119.8737 53.7466 44.2058 175.8679 65 N 4.9116 8.7227 117.3757 51.8365 40.3784 175.4403 66 S 4.2594 8.6964 111.6866 60.9242 62.9527 175.2690 67 E 4.5038 8.7501 118.9419 56.3539 29.9375 176.2279 68 T 4.1517 7.8641 118.3184 63.6522 69.4673 173.5130 69 S 4.9979 8.5939 120.8769 57.3090 64.7803 173.8033 70 V 4.6121 8.3941 115.5934 59.8058 35.4104 174.2040 71 Y 5.6206 9.1948 120.2329 55.6126 42.3251 174.5636 72 R 4.8635 8.1709 114.7579 55.9710 33.1462 173.8086 73 T 4.9198 8.3981 116.9411 63.4303 70.5910 174.4338 74 T 4.5302 8.4662 117.3928 62.1268 71.4891 171.5820 75 Q 4.7969 8.4885 118.4736 53.9842 31.3629 176.3843 76 R 3.8872 8.7117 121.6835 59.7582 30.3262 178.4051 77 E 3.9530 8.3559 116.4913 59.9155 29.4323 179.2482 78 Y 4.5501 7.5095 114.1163 60.4807 38.1240 177.2351 79 V 5.2170 8.5116 112.1553 59.6515 33.2593 177.6347 80 R 3.8914 7.8878 119.4129 59.0355 29.1229 177.0780 81 N 4.7147 8.3139 113.8430 52.9347 38.7985 175.7257 82 G 3.8287 8.7656 107.2822 45.3983 0.0000 172.7934 83 Y 5.3184 7.6585 115.7008 55.8967 42.6272 174.0528 84 A 5.1795 9.1090 123.2044 50.3951 22.3145 175.3821 85 T 4.8309 8.4448 110.7368 59.3871 71.6891 174.3470 86 G 3.8765 8.5886 109.7308 46.4245 0.0000 172.6910 87 N 4.8236 9.2023 120.0529 51.4726 39.4276 175.1373 88 P 4.3696 0.0000 0.0000 64.5501 32.3385 176.3535 89 N 5.0350 7.7240 113.8809 51.6291 38.6606 173.7309 90 S 4.5203 7.7783 113.1319 57.6354 64.0994 173.4766 91 G 4.0649 8.3678 112.6526 45.1443 0.0000 173.4480 92 A 4.1789 7.8271 122.0420 51.7246 19.9445 177.3227 93 I 4.8060 8.6205 121.6035 59.5166 39.5305 175.1634 94 I 4.9967 8.7208 120.6470 59.0710 40.7510 174.2202 95 A 4.8759 8.4777 125.2840 50.9941 20.5225 177.4220 96 L 4.7816 9.2057 123.4781 53.1838 42.1650 177.1184 97 H 4.6295 8.9232 118.5567 56.9722 28.9721 176.1482 98 E 4.5383 8.0458 119.2453 56.3349 30.4489 174.6778 99 E 5.1490 8.1536 118.9896 54.4139 33.3271 175.0036 100 L 5.1604 8.5192 122.1248 53.3953 45.4018 175.2727 101 Q 4.7726 8.7251 120.4855 54.4650 32.9830 173.3225 102 E 3.9657 9.0751 126.6386 56.8087 30.3651 176.4559 103 S 4.4009 8.6065 122.1040 57.4205 63.3916 173.1135 104 P 4.2434 0.0000 0.0000 64.4654 31.3967 176.2265 105 Y 4.6462 7.6468 116.0439 57.7631 39.1158 177.1842 106 A 3.8970 7.7516 123.0898 55.5899 18.0621 179.7433 107 Q 4.4031 7.7816 115.0832 58.2562 28.9737 177.9181 108 H 4.4222 8.2675 116.9059 57.9073 29.2516 174.7525 109 I 4.5410 7.8880 113.4206 59.4053 39.8290 175.2951 110 G 4.2068 8.4166 107.4065 45.0542 0.0000 173.6518 111 A 3.9403 7.4000 122.7523 52.3552 18.8790 178.9145 112 R 3.0784 8.4128 122.5098 54.9517 30.7403 175.9890 113 P 4.4659 0.0000 0.0000 64.4602 31.2793 176.3654 114 D 4.9316 7.8851 117.4349 53.0607 39.9375 175.5979 115 Q 4.8572 7.9995 118.7244 54.0254 31.6803 176.4079 116 A 4.2963 9.6159 125.1360 55.6339 18.5063 179.5633 117 D 4.6046 8.1896 112.4293 55.0819 39.7437 176.8130 118 A 4.0498 8.1824 123.0984 53.4103 18.7743 176.0520 119 Y 5.4447 8.1051 112.8517 56.1944 42.4268 174.7559 120 R 4.9077 9.3550 118.8939 53.5722 34.8528 173.4848 121 P 5.3837 0.0000 0.0000 62.7107 32.2160 176.0720 122 R 4.4733 8.6802 121.8793 56.4410 31.6712 174.8246 123 T 5.2507 8.2764 111.7132 60.2684 72.0095 172.3980 124 A 4.6345 8.6843 123.1110 51.1161 23.6391 175.1073 125 H 4.5256 8.7228 119.1454 55.5317 30.8348 176.6998 126 V 3.5213 8.4720 127.3363 64.8422 30.9688 178.7766 127 S 4.2294 8.3611 114.4731 60.9311 62.5412 176.2052 128 S 4.2205 8.0455 117.2644 60.8653 62.7048 175.7712 129 L 4.0798 7.8889 121.4063 54.8320 42.2213 176.1030 130 N 4.2143 7.9259 115.7938 53.5294 36.7085 174.5648 131 T 4.5970 7.3684 110.9847 61.4476 73.2504 172.5723 132 P 4.7917 0.0000 0.0000 63.5781 33.0178 174.8635 133 S 5.0444 8.5530 114.2283 57.7819 67.2479 172.6685 134 L 5.1843 8.9263 119.0043 52.9446 45.7613 175.6504 135 N 5.2352 8.8524 120.9146 52.1282 38.6384 174.6141 136 V 4.8165 8.8835 116.2147 59.7620 36.7633 174.1279 137 M 5.2548 9.2727 120.8410 53.7539 35.1129 175.1741 138 A 4.9655 9.1263 122.7383 50.9850 23.4313 174.8658 139 G 4.2656 9.0913 105.1781 43.5217 0.0000 175.1642 140 Q 3.9371 8.7029 120.9349 58.5521 29.2858 177.2072 141 G 3.8435 8.6585 105.4598 45.4220 0.0000 175.1289 142 A 3.8690 7.6503 122.9544 54.6623 18.0617 179.5264 143 L 3.3711 7.2552 117.4885 58.5727 42.1057 179.2476 144 S 4.0948 7.9792 112.5006 61.4253 62.8867 175.9444 145 A 3.9866 8.0554 125.7720 55.7461 18.3366 178.0163 *146 L 4.0790 7.5809 120.3759 54.9224 42.8492 179.2202 *154 H 4.8446 8.1802 117.5755 55.2593 29.6760 172.6131 155 V 4.7056 8.9145 113.0021 59.8351 36.2239 174.6525 156 T 4.8658 9.3025 120.4006 62.5474 70.2415 174.2032 157 T 5.1915 8.9474 116.8150 59.9073 72.2885 172.7737 158 E 4.9262 8.9094 123.1303 54.8799 32.9491 174.5381 159 M 5.1046 8.5995 123.9870 53.7186 37.5471 173.9007 160 R 4.4650 8.3994 121.2987 55.2104 31.2034 176.6159 161 L 4.1522 9.2091 129.6961 58.5369 42.0615 179.1876 162 G 3.7777 8.4020 105.4565 47.9631 0.0000 175.3233 163 D 4.6200 8.3305 120.8979 56.8924 40.7021 178.9158 164 F 4.0392 8.4076 118.6444 60.4543 39.0928 177.6671 165 L 4.2173 8.1216 118.0794 58.1192 41.3075 179.2513 166 D 4.5102 8.6568 117.2083 56.6393 40.8699 177.2145 167 Q 4.5108 7.3759 115.4740 55.6255 29.0292 176.3933 168 G 3.9338 8.3641 104.9667 45.5935 0.0000 174.7134 169 G 4.1291 7.9436 106.1818 45.2620 0.0000 173.8534 170 K 4.8353 9.7030 121.4990 54.2278 36.2389 175.1359 171 V 4.7139 8.0423 122.1979 61.5026 33.3720 174.4671 172 Y 4.9269 9.0956 124.7801 56.0724 42.4063 174.9747 173 S 4.6072 8.8074 118.5604 58.6238 64.5105 172.7011 174 D 4.8646 8.9493 125.4127 53.6392 41.3041 175.8575 175 T 4.3613 8.7640 118.4786 62.6009 69.8272 175.8497 *176 S 4.2855 8.2954 122.1982 58.1525 64.2808 178.9844 *181 G 3.9950 8.0487 109.8739 45.6271 0.0000 173.5061 182 G 4.2855 8.1379 116.5906 45.2296 0.0000 176.4865 183 D 4.7297 8.7192 121.9207 53.5826 42.7829 175.0954 184 S 4.0028 9.2268 117.1180 58.8659 60.0516 170.4568 185 V 4.9981 7.4922 118.6181 60.3687 34.0883 173.3126 186 E 4.6089 9.1621 122.2390 54.2242 32.8882 174.3997 187 A 4.8944 8.3828 124.0520 51.2471 20.4625 176.1691 188 L 5.2758 9.1840 121.8502 52.9085 46.6926 175.5061 189 I 4.8826 9.0747 121.5094 59.5850 40.3624 174.8358 190 V 4.9777 8.5275 126.8459 61.1110 33.9765 175.0618 191 T 4.7107 9.0313 118.4455 61.8911 70.6429 174.0529 192 L 4.7719 8.8421 125.4548 53.1982 43.8505 173.0771 193 P 4.2072 0.0000 0.0000 61.5708 32.2695 176.0883 194 K 3.9324 8.5736 120.3365 58.5561 32.2745 177.5110 195 G 3.9165 8.8940 110.3307 45.6033 0.0000 173.2897 196 R 4.6020 7.7076 118.3297 54.4169 32.0896 175.2256 197 K 4.9125 8.0005 118.1263 55.7290 36.2799 175.5115 198 V 4.6518 8.4615 112.9072 58.7073 35.7887 173.8219 199 P 4.4055 0.0000 0.0000 63.0146 32.0303 175.7399 200 V 4.7538 8.1679 113.4811 59.8675 36.2781 174.4973 201 N 4.9868 8.7203 119.4978 51.5043 41.5329 173.8803 202 I 4.4959 8.4119 125.0735 61.1873 37.3440 175.9986 203 L 4.4561 9.1462 128.1139 55.6535 42.6955 176.8386 204 D 4.4773 7.9162 122.2542 53.3139 39.5483 175.3988 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 29 P 0.00 4.53 0.00 2.51 2.47 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 30 S 7.74 4.75 0.00 4.10 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 31 R 8.65 3.78 0.00 1.59 1.87 0.00 2.59 0.00 0.00 2.96 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.00 32 F 7.80 4.78 0.00 3.13 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.26 3.81 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 0.79 0.00 0.00 1.13 0.00 0.00 34 G 9.09 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.98 4.35 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.07 0.00 0.00 0.00 0.00 0.00 2.28 2.53 0.00 36 Y 7.74 4.79 0.00 2.98 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.63 4.38 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 1.25 0.00 0.00 38 L 7.96 4.21 0.00 0.86 1.20 0.84 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 39 T 9.85 4.71 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 1.24 0.00 0.00 40 S 7.65 4.87 0.00 3.74 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.09 3.40 1.74 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 -0.00 0.74 0.00 0.00 42 H 7.60 4.54 0.00 3.18 3.35 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 7.90 4.26 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 44 L 7.07 4.41 0.00 1.72 1.55 0.73 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.17 4.42 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 46 S 8.47 4.09 0.00 3.89 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 47 E 8.14 3.93 0.00 2.04 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 0.00 2.40 2.42 0.00 48 E 8.18 4.10 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.70 0.00 49 R 8.33 3.91 0.00 2.02 2.15 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 50 E 8.46 4.02 0.00 2.19 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 2.57 2.51 0.00 51 N 8.13 4.34 0.00 3.03 2.92 0.00 0.00 6.61 8.15 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 52 F 8.66 4.12 0.00 3.26 3.22 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 53 L 8.31 4.05 0.00 1.89 1.71 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.23 4.23 0.00 2.83 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 55 A 7.36 4.14 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 H 7.68 4.54 0.00 2.68 3.09 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.07 4.12 0.00 2.61 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.24 0.00 2.21 2.30 0.00 3.39 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 59 M 8.05 4.02 0.00 2.02 2.15 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 2.57 2.66 0.00 60 R 7.68 3.88 0.00 1.97 1.88 0.00 3.14 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 61 V 7.70 3.25 1.45 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 -0.13 0.00 0.00 0.70 0.00 0.00 62 Y 7.86 4.51 0.00 3.10 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 63 D 7.49 4.33 0.00 2.73 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 64 L 8.18 4.65 0.00 1.66 1.58 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.72 4.91 0.00 2.88 2.90 0.00 0.00 7.07 7.60 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 66 S 8.70 4.26 0.00 4.04 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 67 E 8.75 4.50 0.00 2.04 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 2.28 2.41 0.00 68 T 7.86 4.15 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 1.20 0.00 0.00 69 S 8.59 5.00 0.00 3.47 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.39 4.61 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 0.62 0.00 0.00 0.83 0.00 0.00 71 Y 9.19 5.62 0.00 2.85 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 72 R 8.17 4.86 0.00 1.99 2.08 0.00 2.84 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 73 T 8.40 4.92 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 1.29 0.00 0.00 74 T 8.47 4.53 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 75 Q 8.49 4.80 0.00 1.33 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.55 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 76 R 8.71 3.89 0.00 1.81 1.99 0.00 3.14 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 77 E 8.36 3.95 0.00 1.87 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 2.32 2.36 0.00 78 Y 7.51 4.55 0.00 3.13 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.51 5.22 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 1.12 0.00 0.00 1.04 0.00 0.00 80 R 7.89 3.89 0.00 1.93 2.22 0.00 3.08 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.66 0.00 81 N 8.31 4.71 0.00 2.85 3.02 0.00 0.00 7.03 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 82 G 8.77 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.66 5.32 0.00 2.91 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 84 A 9.11 5.18 1.24 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 0.00 0.00 85 T 8.44 4.83 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 86 G 8.59 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 N 9.20 4.82 0.00 2.83 2.74 0.00 0.00 7.22 8.11 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 88 P 0.00 4.37 0.00 2.02 2.09 0.00 3.58 0.00 0.00 3.77 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 89 N 7.72 5.03 0.00 2.66 2.73 0.00 0.00 6.84 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 90 S 7.78 4.52 0.00 3.82 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 91 G 8.37 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 92 A 7.83 4.18 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 93 I 8.62 4.81 1.86 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 1.27 0.66 0.91 0.00 0.00 94 I 8.72 5.00 1.87 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.68 0.83 0.00 0.00 95 A 8.48 4.88 1.34 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 0.00 0.00 96 L 9.21 4.78 0.00 1.61 1.70 1.00 0.97 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 97 H 8.92 4.63 0.00 3.35 3.58 0.00 5.50 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.05 4.54 0.00 2.03 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 0.00 2.33 2.18 0.00 99 E 8.15 5.15 0.00 1.91 1.77 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 2.18 2.25 0.00 100 L 8.52 5.16 0.00 1.29 1.15 0.03 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.73 4.77 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 102 E 9.08 3.97 0.00 2.02 1.79 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 1.84 1.47 0.00 103 S 8.61 4.40 0.00 3.92 3.67 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 0.00 104 P 0.00 4.24 0.00 1.55 1.86 0.00 3.61 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.64 0.00 105 Y 7.65 4.65 0.00 3.10 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 0.00 106 A 7.75 3.90 0.61 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 0.00 0.00 107 Q 7.78 4.40 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.05 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 108 H 8.27 4.42 0.00 3.38 3.46 0.00 5.87 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 7.89 4.54 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.85 0.95 0.00 0.00 110 G 8.42 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.40 3.94 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 0.00 112 R 8.41 3.08 0.00 1.76 1.79 0.00 3.15 0.00 0.00 3.54 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 113 P 0.00 4.47 0.00 2.10 1.60 0.00 2.81 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 114 D 7.89 4.93 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.00 4.86 0.00 2.27 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 116 A 9.62 4.30 1.62 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 0.00 117 D 8.19 4.60 0.00 2.82 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 0.00 118 A 8.18 4.05 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 0.00 119 Y 8.11 5.44 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 0.00 120 R 9.36 4.91 0.00 1.69 1.78 0.00 3.34 0.00 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0.00 3.41 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 161 L 9.21 4.15 0.00 1.82 1.83 0.75 0.75 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 0.00 162 G 8.40 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 0.00 0.00 0.00 163 D 8.33 4.62 0.00 2.81 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 0.00 164 F 8.41 4.04 0.00 3.29 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 0.00 165 L 8.12 4.22 0.00 1.87 1.76 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 166 D 8.66 4.51 0.00 2.63 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 Q 7.38 4.51 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.01 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 168 G 8.36 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 0.00 169 G 7.94 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 0.00 0.00 0.00 170 K 9.70 4.84 0.00 1.80 1.45 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.40 7.81 171 V 8.04 4.71 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 0.76 0.00 0.00 0.84 0.00 0.00 172 Y 9.10 4.93 0.00 2.94 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 0.00 173 S 8.81 4.61 0.00 3.90 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 0.00 174 D 8.95 4.86 0.00 2.58 2.62 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 0.00 175 T 8.76 4.36 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 1.26 0.00 0.00 *176 S 8.30 4.29 0.00 3.65 3.72 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 *181 G 8.05 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 G 8.14 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 D 8.72 4.73 0.00 2.62 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 0.00 184 S 9.23 4.00 0.00 4.09 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 0.00 185 V 7.49 5.00 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 0.69 0.00 0.00 0.91 0.00 0.00 186 E 9.16 4.61 0.00 1.25 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 1.69 1.47 0.00 187 A 8.38 4.89 1.24 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 0.00 0.00 188 L 9.18 5.28 0.00 1.44 1.48 0.84 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 189 I 9.07 4.88 1.96 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 1.13 1.03 0.92 0.00 0.00 190 V 8.53 4.98 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 0.53 0.00 0.00 0.61 0.00 0.00 191 T 9.03 4.71 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 192 L 8.84 4.77 0.00 1.87 1.68 0.76 0.67 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 0.00 193 P 0.00 4.21 0.00 2.23 2.01 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.20 0.00 194 K 8.57 3.93 0.00 1.74 1.78 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.42 7.81 195 G 8.89 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 0.00 0.00 0.00 196 R 7.71 4.60 0.00 1.92 1.80 0.00 3.39 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 197 K 8.00 4.91 0.00 1.82 1.69 0.00 0.95 0.00 0.00 1.46 0.00 0.00 2.33 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.16 1.36 7.81 198 V 8.46 4.65 1.77 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 0.03 0.00 0.00 0.59 0.00 0.00 199 P 0.00 4.41 0.00 1.84 1.67 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 200 V 8.17 4.75 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 0.74 0.00 0.00 0.90 0.00 0.00 201 N 8.72 4.99 0.00 2.61 2.68 0.00 0.00 7.32 6.91 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 0.00 202 I 8.41 4.50 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.47 0.98 0.00 0.00 203 L 9.15 4.46 0.00 1.52 1.75 1.08 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 204 D 7.92 4.48 0.00 2.73 2.58 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 * Residues marked with a * may have inaccurate shift predictions.