NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3937 8.3349 115.2872 57.1084 63.5733 173.5780 4 P 4.2249 0.0000 0.0000 60.7478 31.8527 172.4331 5 E 4.3989 8.5638 119.3087 54.9544 32.1125 174.7665 6 D 4.6555 7.9294 119.6769 52.2949 44.3452 174.5060 7 F 4.6850 8.7369 123.7979 55.7153 41.0613 174.6587 8 V 4.6030 8.6388 125.9215 61.2093 34.1458 173.7439 9 Y 5.3350 8.6156 126.6210 56.0841 41.7657 174.2448 10 Q 4.8601 8.9402 124.5396 54.1218 33.3348 173.9338 11 F 5.6142 8.9805 124.0825 56.4504 42.4591 173.7809 12 K 4.0809 8.4639 125.6545 54.5663 34.7955 175.9646 13 G 3.9517 8.2863 114.2358 45.1947 0.0000 172.0583 14 M 4.5277 8.3310 125.2443 54.8355 34.3939 174.4369 15 C 5.1906 8.1996 118.1106 55.3600 45.3942 172.8441 16 Y 4.5845 8.9695 121.3425 56.0773 40.1622 174.6382 17 F 5.4569 8.8918 122.4292 56.0692 41.9569 175.0274 18 T 4.5289 8.7090 118.8928 62.5150 72.8162 173.0369 19 N 4.3016 9.6586 123.0207 54.7834 37.8501 173.6045 20 G 3.8209 7.6025 114.0587 47.3531 0.0000 172.7939 21 T 4.3097 8.2222 114.7629 61.0052 69.0339 175.0292 22 E 3.9965 8.0086 123.3372 59.0182 29.7269 177.1469 23 R 4.6149 7.9149 118.8371 54.3253 32.6141 175.4047 24 V 4.8276 8.3505 123.4111 60.9873 34.9432 174.6241 25 R 4.5824 8.7885 126.9047 54.6317 33.5543 173.1630 26 L 5.0061 8.8950 128.6482 53.8300 44.3811 175.6914 27 V 4.8942 8.9786 126.0971 61.7704 34.3169 173.2367 28 S 4.8707 9.1805 123.8789 57.2302 65.1364 173.3829 29 R 5.1361 8.6742 122.4501 54.5523 33.4076 174.4543 30 S 5.2971 9.3616 120.7771 57.1946 65.0533 173.2151 31 I 4.8227 9.1148 126.6245 59.5036 40.4472 173.8210 32 Y 4.5580 8.8813 128.4019 58.2896 40.2024 176.4292 33 N 4.1360 9.8758 128.3214 54.0657 37.6316 175.1512 34 R 4.5672 9.1035 120.1257 55.9326 32.6883 174.6168 35 E 4.6353 8.3862 118.1349 53.8839 31.3187 175.0893 36 E 4.4330 8.8757 125.0657 56.2007 30.4168 175.7138 37 I 4.4852 8.8875 119.4614 61.3999 40.5272 175.7015 38 V 5.1105 7.7996 120.9618 61.0813 35.1909 174.3372 39 R 5.3398 9.5594 126.2755 54.8446 34.4594 173.5590 40 F 4.6655 9.3442 126.3590 56.5259 42.2979 172.8286 41 D 5.2606 7.7460 126.8623 52.2129 41.2465 177.3474 42 S 4.2595 9.0291 121.6318 61.1133 63.3091 176.2527 43 D 4.4070 8.4251 120.7147 56.3258 40.7676 177.2824 44 V 3.7751 6.9078 118.0415 62.6682 32.1621 177.0351 45 G 3.9065 9.5810 107.0279 45.0808 0.0000 172.1775 46 E 4.7974 6.8143 115.2002 54.5997 32.5366 174.4926 47 F 4.8662 9.2656 118.8563 57.8551 39.8137 175.6605 48 R 4.8701 9.3747 120.6107 54.4854 34.5798 174.0359 49 A 4.9329 8.7636 125.2791 51.5370 19.0406 177.7429 50 V 4.1143 8.7945 123.1570 63.3294 32.7704 176.3673 51 T 4.7472 7.6572 109.7963 59.1734 72.1650 174.0447 52 L 3.8920 8.7106 123.7899 58.2942 42.1129 178.7683 53 L 3.8023 7.4108 118.9518 57.9198 42.1812 177.7262 54 G 4.0314 8.1561 105.4535 45.4080 0.0000 175.1333 55 L 3.9317 8.2060 124.1015 57.3810 42.1240 177.1248 56 P 4.1048 0.0000 0.0000 65.7170 31.3600 178.4376 57 A 3.2254 7.6599 118.5699 54.5065 18.1159 179.3275 58 A 4.0442 7.6051 118.7798 55.5553 18.3435 179.6518 59 E 3.9462 7.8589 115.5731 59.6271 29.8074 178.8435 60 Y 4.1007 7.7281 119.0980 60.6447 39.0635 178.1679 61 W 4.1540 7.7810 119.7298 59.8108 28.8072 178.2060 62 N 4.7685 8.2410 115.4697 55.5405 38.0834 176.8505 63 S 4.5828 7.6863 114.4836 59.0802 64.3398 175.1823 64 Q 4.2525 7.4254 122.5554 54.2288 27.6947 175.8665 65 K 3.9473 8.3912 125.5413 59.1198 32.1278 178.3393 66 D 4.3394 8.0305 118.9985 56.6008 39.3230 178.6609 67 I 3.6818 7.6623 121.1641 63.7377 37.1555 178.0173 68 L 4.0873 8.2031 120.0421 58.1746 41.3240 179.4371 69 E 3.9689 8.3341 117.1394 59.7001 29.6884 179.5094 70 R 4.0543 7.8026 118.0955 58.9635 30.2608 178.9814 71 K 3.6711 8.0944 119.6109 59.2996 31.8689 178.8960 72 R 4.2422 8.0790 116.7392 57.9428 30.2188 177.6050 73 A 4.5049 7.7453 119.5455 52.3860 19.6141 178.4829 74 A 3.9039 7.6419 119.5936 55.1264 18.2402 179.7101 75 V 3.3788 7.9393 116.3130 66.1103 30.9677 177.5734 76 D 4.4660 7.9305 117.4598 56.5556 41.1324 178.4795 77 R 3.9141 8.0314 118.2078 60.1302 30.3466 177.6862 78 V 3.9772 8.6363 118.8244 65.0502 31.5492 176.7900 79 C 4.4698 8.2166 114.9233 60.9529 40.2465 176.4549 80 R 3.9917 8.6056 120.6754 59.4950 30.1646 178.7367 81 H 4.3380 8.0662 117.0622 59.5515 30.0552 177.2333 82 N 4.4203 8.7384 118.5084 56.2521 38.2400 176.8104 83 Y 3.6217 8.1695 121.1535 60.3443 38.4812 178.1110 84 Q 4.0023 7.8307 118.3964 58.8976 28.8577 178.2191 85 L 4.0644 7.7283 119.5704 57.5658 41.6756 179.0205 86 E 3.7953 8.0084 119.4477 59.1335 29.3223 178.8569 87 L 3.8713 7.6984 118.0979 57.1785 41.7138 178.7761 88 R 4.5138 7.3096 115.8146 56.6247 30.7593 176.5466 89 T 4.4065 7.5869 106.0325 62.1621 70.6082 175.7826 90 T 3.6981 8.5416 116.6275 66.1692 69.3017 176.1426 91 L 4.2916 7.8497 118.0825 56.3272 41.7219 177.6095 92 Q 4.3877 7.7525 116.6535 55.7100 29.5741 176.0500 93 R 3.8925 7.5145 119.6179 56.5568 30.3193 176.1274 94 R 4.7493 8.4982 123.7799 55.0722 32.9986 174.5120 95 V 4.3967 8.9799 125.0805 60.7271 33.3341 174.8418 96 E 4.8377 9.1478 128.3334 55.3759 29.8697 175.5151 97 P 4.9003 0.0000 0.0000 63.0604 32.8165 175.4218 98 T 4.5574 8.8098 112.3717 60.2864 70.7707 173.3287 99 V 4.8695 8.3918 126.0080 61.4552 33.6672 174.8679 100 T 4.8044 8.9057 123.3032 61.9777 72.8867 172.6766 101 I 5.1994 8.4613 126.2215 59.6922 39.8127 175.3099 102 S 4.7050 8.9164 120.3918 56.6748 66.4837 172.6125 103 P 4.8818 0.0000 0.0000 61.7245 32.9362 175.5614 104 S 4.3712 8.2676 116.1360 56.8281 63.3397 176.6600 105 R 4.0511 8.2040 126.6724 55.6273 27.9277 174.8177 *113 N 4.4677 7.7335 116.1594 54.3471 41.5339 172.6540 114 L 4.8621 7.9406 121.9587 53.0526 45.3074 174.5733 115 L 4.5431 8.1992 126.3602 52.9644 43.8549 175.4366 116 V 4.6026 8.5575 124.2947 61.2806 34.0310 173.4085 117 C 5.1616 9.6146 129.2437 55.2640 46.3317 172.5990 118 S 4.8285 9.3164 124.7928 57.7167 64.0364 173.9147 119 V 4.7846 8.6372 126.8102 61.5996 32.6466 174.4766 120 T 4.9054 8.8067 118.1071 59.2794 72.2179 173.2672 121 D 4.5610 8.3234 119.8624 55.8066 38.4249 172.5811 122 F 5.7522 7.5104 113.7559 54.7141 42.3611 175.3360 123 Y 5.2284 8.4092 118.1890 56.1953 42.1349 172.6151 124 P 3.5401 0.0000 0.0000 61.8681 32.5863 175.7348 125 A 3.4636 7.9868 121.4670 55.0373 18.2503 178.0684 126 Q 3.9887 7.7347 114.5310 56.9354 28.9581 176.6059 127 I 4.6127 7.9760 122.6799 59.6810 41.5253 173.4908 128 K 4.5585 8.9786 127.5923 54.6348 35.3954 174.9237 129 V 4.8897 8.4790 126.6052 61.1624 34.0578 174.6105 130 R 4.7108 9.1825 126.2595 54.1461 34.1791 174.3765 131 W 5.2937 8.4260 120.7893 55.1232 32.3944 174.8734 132 F 5.2676 9.4682 121.4468 56.1382 42.4284 175.9392 133 R 4.0303 9.6348 124.5077 58.7195 30.3066 179.5947 134 N 5.3698 8.1539 116.9319 53.7052 39.6511 175.5220 *135 D 4.7851 8.7914 115.2638 52.8894 38.4223 177.2085 136 Q 4.7053 8.1788 120.0864 54.7656 30.0654 174.2225 137 E 3.8449 9.0815 126.7972 56.2772 30.1842 175.4317 138 E 4.7136 8.8416 126.2303 54.8365 31.3662 175.8932 139 T 4.4018 8.5032 112.1918 61.4312 71.0392 173.9559 140 A 4.2770 7.9013 125.1287 52.2614 19.7057 177.1523 141 G 3.8871 9.0812 111.1393 44.6694 0.0000 172.3525 142 V 4.7025 7.3333 119.6105 61.0759 33.1892 174.8983 143 V 4.5313 8.6614 127.5917 61.0804 34.4411 174.0467 144 S 5.3357 8.5961 121.2804 56.5976 65.3054 173.4859 145 T 4.4673 8.4924 116.8830 60.2805 70.1597 172.1832 146 P 4.5738 0.0000 0.0000 61.5605 32.5931 175.3372 147 L 4.1929 8.3035 120.6217 55.4071 42.7486 175.8998 148 I 4.5060 8.9561 127.3184 59.5684 39.6089 174.4844 149 R 4.4982 8.6025 127.9834 55.4705 30.1441 176.0199 150 N 4.3624 8.4118 124.1770 54.2780 38.9910 176.3248 151 G 3.9022 8.1470 106.2126 44.8132 0.0000 173.3563 152 D 4.9174 7.3796 118.5618 52.9514 39.8531 176.0330 153 W 3.2894 7.8714 114.6968 58.8254 26.8728 174.2256 154 T 5.0182 7.2015 105.8694 60.2962 72.3891 172.0217 155 F 5.3107 8.7809 120.7338 55.9981 43.7354 173.4888 156 Q 5.0217 8.6222 116.4230 55.9374 32.4928 173.2406 157 I 4.6397 8.8023 117.4499 60.2344 42.3617 172.6784 158 L 5.1649 8.5108 128.9690 53.0743 44.2234 175.4644 159 V 4.8268 8.8181 123.7207 61.6096 34.0500 174.1115 160 M 5.1723 9.3209 128.3372 53.7492 34.9484 175.0766 161 L 4.7453 8.3377 123.4809 52.9119 45.1363 175.0319 162 E 4.4493 9.1213 129.2392 56.2460 30.0262 175.5718 163 M 4.8293 8.6600 123.7099 54.2060 35.0471 174.4582 164 T 4.3436 8.2509 109.5414 58.9816 69.6779 172.4087 165 P 4.5001 0.0000 0.0000 62.8156 31.5072 176.0863 166 Q 4.5641 8.6324 122.4168 53.3631 31.6224 175.0999 167 R 4.9540 8.1801 122.6764 57.0976 30.3314 175.3390 168 G 4.0628 8.9642 114.1026 45.9361 0.0000 173.7329 169 D 4.4538 8.4499 120.7700 53.9442 42.1909 175.9736 170 V 4.6963 7.5296 120.6465 61.5056 33.6488 174.1766 171 Y 5.2817 9.5247 127.1942 57.1237 40.1017 175.1068 172 T 5.3980 9.2430 112.6380 60.2049 72.8598 171.6432 173 C 4.5158 9.0322 124.5438 55.0428 42.9341 171.5358 174 H 5.2936 9.1932 126.7440 54.4026 31.9412 172.7136 175 V 4.8292 8.6713 126.0677 61.0458 34.3311 173.8399 176 E 4.9471 9.0516 127.3062 54.9406 32.5713 174.4958 177 H 4.7905 8.5509 121.4213 54.4035 32.8612 172.3458 178 P 4.1527 0.0000 0.0000 65.7038 31.5848 177.6934 179 S 4.3769 8.2308 110.9939 59.3110 63.6318 173.2272 180 L 4.8901 7.8113 122.7951 53.0938 42.7345 176.6513 181 Q 4.1874 8.7605 122.2742 57.9941 29.2165 176.4889 182 S 4.7329 7.5925 111.1993 54.9025 65.8774 171.7606 183 P 4.4797 0.0000 0.0000 63.3928 31.9880 175.2077 184 I 4.4730 8.4115 122.5358 60.1456 38.9682 174.8183 185 T 5.1105 8.4355 116.4876 59.8258 71.4447 173.4161 186 V 4.4833 8.4720 123.7543 61.3104 34.7222 174.3933 187 E 5.3114 8.9360 126.5852 55.0983 32.3243 175.6857 188 W 5.0236 9.4653 132.1845 56.6041 33.6619 173.4560 189 R 4.9036 8.1204 124.2203 54.7383 31.0573 176.2822 190 A 3.8284 8.6241 122.7872 52.0879 18.9402 177.1504 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 3 S 8.33 4.39 0.00 3.83 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 4 P 0.00 4.22 0.00 2.13 1.96 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 2.01 2.12 0.00 5 E 8.56 4.40 0.00 1.79 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 6 D 7.93 4.66 0.00 2.50 2.37 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 7 F 8.74 4.69 0.00 3.14 3.02 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 8 V 8.64 4.60 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 0.96 0.00 0.00 0.90 0.00 0.00 9 Y 8.62 5.34 0.00 3.11 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 10 Q 8.94 4.86 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 11 F 8.98 5.61 0.00 3.22 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 12 K 8.46 4.08 0.00 1.51 1.51 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.26 1.26 7.81 13 G 8.29 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 M 8.33 4.53 0.00 1.62 2.12 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 2.62 2.39 0.00 15 C 8.20 5.19 0.00 2.66 2.27 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 16 Y 8.97 4.58 0.00 2.76 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 17 F 8.89 5.46 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 18 T 8.71 4.53 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 1.24 0.00 0.00 19 N 9.66 4.30 0.00 2.94 2.77 0.00 0.00 7.13 8.03 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 20 G 7.60 3.82 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 21 T 8.22 4.31 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 22 E 8.01 4.00 0.00 2.03 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 2.33 2.40 0.00 23 R 7.91 4.61 0.00 1.90 1.83 0.00 3.07 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 24 V 8.35 4.83 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 0.70 0.00 0.00 1.08 0.00 0.00 25 R 8.79 4.58 0.00 1.81 1.65 0.00 3.26 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 26 L 8.89 5.01 0.00 1.79 1.58 0.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.98 4.89 2.35 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 0.94 0.00 0.00 0.90 0.00 0.00 28 S 9.18 4.87 0.00 4.17 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 29 R 8.67 5.14 0.00 1.69 1.93 0.00 3.11 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 30 S 9.36 5.30 0.00 4.12 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 31 I 9.11 4.82 1.77 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 1.22 1.04 0.91 0.00 0.00 32 Y 8.88 4.56 0.00 3.07 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 33 N 9.88 4.14 0.00 2.52 2.45 0.00 0.00 6.86 7.54 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 34 R 9.10 4.57 0.00 1.72 1.87 0.00 3.14 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 35 E 8.39 4.64 0.00 2.14 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 0.00 2.48 2.31 0.00 36 E 8.88 4.43 0.00 1.98 1.94 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 2.36 2.36 0.00 37 I 8.89 4.49 2.02 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 1.37 1.14 1.07 0.00 0.00 38 V 7.80 5.11 2.46 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 1.63 0.00 0.00 1.11 0.00 0.00 39 R 9.56 5.34 0.00 2.10 1.77 0.00 3.08 0.00 0.00 3.07 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 40 F 9.34 4.67 0.00 2.97 2.85 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 41 D 7.75 5.26 0.00 2.60 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 9.03 4.26 0.00 4.05 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 43 D 8.43 4.41 0.00 2.81 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 44 V 6.91 3.78 1.94 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 0.64 0.00 0.00 0.81 0.00 0.00 45 G 9.58 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 46 E 6.81 4.80 0.00 2.37 1.93 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 2.15 2.39 0.00 47 F 9.27 4.87 0.00 3.36 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 9.37 4.87 0.00 1.71 1.80 0.00 3.30 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 49 A 8.76 4.93 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 50 V 8.79 4.11 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 0.90 0.00 0.00 1.02 0.00 0.00 51 T 7.66 4.75 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 52 L 8.71 3.89 0.00 1.75 1.73 0.93 0.42 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 53 L 7.41 3.80 0.00 1.68 1.71 0.82 0.87 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 54 G 8.16 4.03 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 7.69 4.58 0.00 4.00 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 64 Q 7.43 4.25 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 1.82 2.16 0.00 65 K 8.39 3.95 0.00 1.77 1.89 0.00 1.72 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.47 7.81 66 D 8.03 4.34 0.00 2.87 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.66 3.68 2.02 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 1.64 0.83 0.84 0.00 0.00 68 L 8.20 4.09 0.00 2.02 1.81 1.09 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.33 3.97 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 70 R 7.80 4.05 0.00 1.88 1.92 0.00 3.10 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.95 0.52 0.87 0.00 0.00 128 K 8.98 4.56 0.00 1.81 1.54 0.00 1.48 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.31 1.39 7.81 129 V 8.48 4.89 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 0.70 0.00 0.00 0.82 0.00 0.00 130 R 9.18 4.71 0.00 1.65 1.51 0.00 3.19 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 131 W 8.43 5.29 0.00 3.21 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 0.00 132 F 9.47 5.27 0.00 3.12 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 0.00 133 R 9.63 4.03 0.00 2.09 2.04 0.00 3.12 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 134 N 8.15 5.37 0.00 2.69 2.71 0.00 0.00 7.03 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 *135 D 8.79 4.79 0.00 2.75 2.95 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 0.00 136 Q 8.18 4.71 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.06 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 137 E 9.08 3.84 0.00 1.75 1.80 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 2.14 2.07 0.00 138 E 8.84 4.71 0.00 1.98 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 139 T 8.50 4.40 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 1.17 0.00 0.00 140 A 7.90 4.28 1.25 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 0.00 0.00 0.00 141 G 9.08 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 0.00 142 V 7.33 4.70 2.26 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 0.99 0.00 0.00 0.97 0.00 0.00 143 V 8.66 4.53 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 0.86 0.00 0.00 0.90 0.00 0.00 144 S 8.60 5.34 0.00 3.91 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.49 4.47 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 1.28 0.00 0.00 146 P 0.00 4.57 0.00 2.22 2.14 0.00 3.79 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 2.00 1.96 0.00 147 L 8.30 4.19 0.00 1.66 1.62 1.04 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.96 4.51 2.01 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 1.31 1.00 0.91 0.00 0.00 149 R 8.60 4.50 0.00 1.92 1.81 0.00 3.15 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.27 0.00 150 N 8.41 4.36 0.00 2.86 2.76 0.00 0.00 7.30 7.06 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 0.00 151 G 8.15 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 0.00 0.00 0.00 152 D 7.38 4.92 0.00 2.80 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 0.00 153 W 7.87 3.29 0.00 3.25 2.95 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 0.00 154 T 7.20 5.02 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 1.24 0.00 0.00 155 F 8.78 5.31 0.00 1.78 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 0.00 156 Q 8.62 5.02 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 157 I 8.80 4.64 2.07 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 1.29 1.27 1.08 0.00 0.00 158 L 8.51 5.16 0.00 1.71 1.60 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 159 V 8.82 4.83 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 1.09 0.00 0.00 0.94 0.00 0.00 160 M 9.32 5.17 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 161 L 8.34 4.75 0.00 0.27 0.13 0.65 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 162 E 9.12 4.45 0.00 1.84 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 2.24 2.20 0.00 163 M 8.66 4.83 0.00 1.44 1.54 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.50 0.00 164 T 8.25 4.34 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 1.21 0.00 0.00 165 P 0.00 4.50 0.00 2.16 2.28 0.00 3.65 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 166 Q 8.63 4.56 0.00 2.38 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.03 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 167 R 8.18 4.95 0.00 1.75 1.87 0.00 3.07 0.00 0.00 3.86 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 168 G 8.96 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 0.00 169 D 8.45 4.45 0.00 2.78 2.18 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 V 7.53 4.70 2.06 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 0.84 0.00 0.00 0.95 0.00 0.00 171 Y 9.52 5.28 0.00 3.33 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 0.00 172 T 9.24 5.40 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 173 C 9.03 4.52 0.00 2.13 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 0.00 174 H 9.19 5.29 0.00 3.45 3.37 0.00 5.57 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 V 8.67 4.83 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 0.82 0.00 0.00 0.78 0.00 0.00 176 E 9.05 4.95 0.00 1.86 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 2.22 2.23 0.00 177 H 8.55 4.79 0.00 2.95 2.97 0.00 5.70 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.15 0.00 1.94 2.07 0.00 2.94 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.98 0.00 179 S 8.23 4.38 0.00 4.09 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 0.00 180 L 7.81 4.89 0.00 1.73 1.86 0.87 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 181 Q 8.76 4.19 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 182 S 7.59 4.73 0.00 3.92 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 0.00 183 P 0.00 4.48 0.00 1.79 2.02 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.03 0.00 184 I 8.41 4.47 1.79 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 1.25 0.71 0.87 0.00 0.00 185 T 8.44 5.11 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 1.17 0.00 0.00 186 V 8.47 4.48 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 1.14 0.00 0.00 0.92 0.00 0.00 187 E 8.94 5.31 0.00 1.96 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 2.31 2.33 0.00 188 W 9.47 5.02 0.00 3.57 3.35 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 0.00 189 R 8.12 4.90 0.00 1.72 1.81 0.00 3.11 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.41 0.00 190 A 8.62 3.83 1.52 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.