NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.4209 8.3144 122.1488 54.7212 33.3571 174.6827 6 F 4.7115 8.6112 119.1923 57.6295 39.8811 173.1245 7 D 4.8759 8.2067 118.2349 52.4971 44.0073 174.8719 8 R 4.3626 8.0051 127.2209 55.7804 31.3761 176.0608 9 S 4.7345 8.3713 111.4598 58.4241 64.4637 175.4139 10 E 4.3575 8.4004 115.1098 57.1655 28.5259 176.8675 11 H 4.7337 7.7192 116.5995 56.3759 30.6166 174.9570 12 V 3.9266 7.7008 119.5670 62.3043 32.0940 174.2128 13 Y 4.8323 8.5060 127.0569 55.6366 41.2136 174.4057 14 R 4.4905 7.7951 125.8344 54.4905 33.2087 173.7975 15 N 4.8353 8.1440 120.1723 52.5680 41.8075 173.6957 16 D 4.9592 8.5038 121.8303 53.9809 43.1880 177.7775 17 S 4.3618 8.1283 116.0680 61.1792 63.0056 175.9482 18 F 4.1246 8.8760 123.7201 60.9938 39.0461 176.9973 19 L 4.0339 8.1005 119.7375 58.0209 41.9313 178.5565 20 E 3.9335 8.0264 118.4347 59.0995 29.3242 179.1373 21 L 3.8386 7.4715 119.8942 58.2326 42.2827 178.9194 22 I 3.6746 7.4715 119.7123 64.2508 36.8872 178.6276 23 K 4.0625 8.3592 119.8087 59.3124 31.8626 178.8788 24 D 4.3189 8.1489 118.1589 57.2813 41.0964 178.1986 25 A 4.1132 8.1485 121.2818 55.1499 18.3312 179.7871 26 V 3.6704 8.3676 117.1363 66.3416 31.5312 178.4970 27 R 3.9987 8.4585 118.2228 59.1885 29.6856 178.7392 28 F 4.1512 8.6533 119.7496 61.2548 39.6851 176.3294 29 F 3.9190 8.9892 120.7297 61.8341 38.9465 177.3837 30 S 4.3698 8.5752 113.5579 61.0960 62.7339 176.1653 31 G 3.7555 7.4203 106.2384 44.2272 0.0000 174.2182 32 T 3.5999 6.4726 111.1187 60.4792 69.2624 172.5303 33 P 4.1173 0.0000 0.0000 62.5607 31.9786 176.2447 34 V 4.0388 7.6486 121.3964 62.4589 32.7990 174.3658 35 H 5.1025 8.9565 122.9977 53.5430 33.7641 172.6259 36 S 4.6283 8.7837 114.6340 58.7074 63.9578 173.3692 37 L 4.8120 8.3881 121.6736 52.6852 43.6119 174.2832 38 P 4.6703 0.0000 0.0000 60.8834 32.7472 174.0848 39 P 4.4817 0.0000 0.0000 61.7893 31.6142 176.1718 40 P 4.5159 0.0000 0.0000 64.8385 31.4137 176.1140 41 E 4.7663 7.5640 116.1748 54.5054 33.3814 175.4866 42 R 4.1711 8.3968 120.5497 56.1699 31.1166 175.9185 43 F 4.8651 7.2177 112.4214 56.0460 40.1725 173.9971 44 Q 4.2591 8.6720 121.6081 55.9905 29.6119 175.1973 45 G 4.2781 7.5873 106.3399 43.4198 0.0000 172.3225 46 A 5.1853 9.1102 121.6776 49.6374 22.7790 176.4599 47 G 5.0795 7.4134 104.2301 46.2415 0.0000 171.7604 48 V 5.0080 8.2127 120.1206 61.5456 34.9223 175.3406 49 Y 5.8899 8.6928 122.0742 55.7349 42.2177 173.5420 50 A 5.1657 9.5360 120.8541 50.4034 22.9274 175.0271 51 L 5.2868 8.9764 122.1771 53.5529 44.2071 175.3544 52 Y 4.9079 9.4160 120.0136 56.2916 41.7072 173.9125 53 Y 4.8129 8.3287 123.0708 55.8196 41.4140 175.1575 54 T 4.3829 7.4930 113.1953 61.4693 70.8217 174.7445 55 G 3.3748 5.3800 110.6527 44.7289 0.0000 173.6965 56 H 4.9704 8.6475 116.3208 55.0389 30.9742 172.9355 57 Y 4.2656 8.6222 122.6433 57.8950 38.7977 177.2782 58 S 3.9540 8.1933 121.6569 61.3594 63.1203 176.5556 59 L 3.8531 6.4704 119.3750 56.8410 41.6215 177.2696 60 Y 5.0691 8.3405 114.6359 57.5057 38.9895 176.6082 61 D 4.4959 7.8615 121.9278 57.8877 41.0159 178.4176 62 E 3.7862 7.7748 118.2842 59.5168 29.2191 178.5710 63 Y 4.4512 7.7624 116.9886 61.1946 37.7359 178.8351 64 S 4.1095 8.1622 113.8234 60.4892 62.7717 175.8812 65 R 4.3162 7.5928 121.1045 58.2889 30.6392 178.4089 66 I 3.8434 8.1115 118.8401 63.7501 37.1026 176.7562 67 N 5.2301 8.5032 114.9036 52.2355 38.8550 176.6811 68 R 3.6351 7.7725 122.2459 59.8374 29.9876 178.4067 69 K 4.2472 7.5076 114.7808 54.1712 32.8689 177.5492 70 A 4.1514 6.6090 118.6243 52.7512 22.3102 175.7612 71 Y 4.3173 8.2162 118.6998 57.6197 36.3232 175.1067 72 N 4.6649 8.5314 120.9855 54.1950 39.7889 175.4160 73 L 4.7596 7.9901 119.6963 52.3065 43.8432 174.0240 74 P 3.8798 0.0000 0.0000 62.3969 32.2457 175.8166 75 I 3.8187 8.1960 119.2548 62.2997 39.3221 174.5497 76 Y 5.3369 7.2697 121.4746 56.3298 42.2915 173.3276 77 V 4.4239 8.3499 125.8012 60.9506 34.2886 174.6710 78 G 3.8928 8.1057 114.0687 44.1569 0.0000 170.9068 79 K 5.2726 8.3322 117.2875 54.9736 36.1467 175.5370 80 A 4.8599 9.4311 122.9786 50.1834 22.2790 175.4786 81 V 4.5148 8.0843 120.7230 58.8363 33.7418 174.1458 82 P 4.5361 0.0000 0.0000 62.1567 31.9788 176.1101 83 A 4.0112 8.2977 124.3799 53.7919 18.8412 178.5309 84 G 4.0022 8.9943 108.4943 45.3316 0.0000 175.2620 85 W 4.2219 7.9785 129.5562 60.4035 30.7776 177.4068 86 R 3.7419 8.3969 116.0600 58.1361 31.2045 177.1553 87 Q 4.1084 8.3455 113.8681 56.2579 28.6993 178.1069 88 S 4.6599 8.8904 108.2494 56.7016 67.3992 178.9913 89 R 4.3957 8.3916 124.5756 56.6459 30.0433 177.0745 90 I 4.0000 8.4812 113.4167 64.2506 35.9761 173.1708 *91 S 4.5231 8.0208 116.2406 57.8323 65.0082 177.1884 *92 D 4.5345 8.7196 127.2563 52.5136 42.0287 172.8256 *93 H 4.0430 8.8395 127.5061 55.8328 28.0812 177.4690 *94 E 4.5839 8.5935 121.9525 54.6489 31.8457 175.3416 *95 T 3.6016 8.3596 110.1351 62.4536 66.9148 178.5978 *96 R 4.4033 7.9767 115.5813 56.8046 30.7915 181.3403 97 A 4.7166 7.7947 118.9543 50.4269 20.6771 176.7353 98 G 3.8378 8.6041 112.4087 45.8701 0.0000 173.0224 99 S 4.9036 8.1243 112.9532 57.0085 63.3388 175.6966 100 E 4.0035 7.9841 119.9714 59.6895 29.8983 178.0893 101 L 3.9090 8.0088 121.9133 58.1167 42.1986 178.5422 102 S 3.4279 7.3602 112.4364 61.2933 62.0551 175.5496 103 N 4.1435 7.8034 118.8511 56.6329 38.4362 177.7165 104 R 3.9058 7.8528 118.9632 58.9101 30.0641 179.3132 105 I 3.2598 7.4049 119.9832 64.2145 37.0715 178.6063 106 R 3.8813 7.9904 119.1021 59.1422 29.7084 178.7380 107 E 3.8612 8.3691 119.4622 59.5328 29.6217 178.6659 108 H 3.9980 8.2275 116.2812 58.4552 28.7597 177.6427 109 G 3.8632 8.1273 107.7127 48.3487 0.0000 175.8836 110 R 4.0122 7.9089 120.2618 58.7094 29.8021 178.8760 111 N 4.3298 7.6236 115.7061 56.5200 38.9266 177.0324 112 I 4.0360 7.9015 120.7845 64.5210 36.9475 178.2497 113 A 4.0972 7.9183 120.5652 55.2584 18.2344 179.6097 114 K 4.1164 7.9859 116.3564 58.5463 32.2838 177.9810 115 T 4.4891 6.9813 107.7856 61.2252 69.3343 174.3528 116 S 4.5262 8.3494 117.1933 58.9592 63.8070 174.9278 117 N 4.8687 7.9732 115.3081 52.0184 37.5719 173.9916 118 L 4.8503 7.6454 118.4668 53.1726 44.6962 175.1846 119 D 4.9231 8.7585 122.4259 52.3537 42.6578 176.7952 120 L 4.3427 8.8406 128.4189 58.4704 42.2241 178.1640 121 C 4.4592 8.4170 114.4979 61.4479 27.9255 173.7799 122 D 4.5406 8.4190 119.3371 54.1798 40.7355 175.5680 123 F 5.2207 7.8580 117.5304 56.1659 41.9893 174.6721 124 S 5.0807 9.4276 116.5968 57.8041 68.1119 172.3495 125 C 6.1985 9.2099 114.7382 57.1810 33.4253 173.1703 126 R 5.0620 8.8418 117.2649 54.6253 34.1296 174.3052 127 F 5.6221 7.7347 114.9758 55.6783 41.2332 173.5055 128 V 4.5095 9.4129 120.7675 61.3110 34.4279 174.1629 129 I 5.0343 8.5510 128.1642 60.4162 38.5269 174.9022 130 F 4.7593 9.1571 126.0470 55.6819 40.7511 175.7890 131 E 4.2732 9.1991 123.2806 55.7313 30.3426 175.6401 132 A 4.1012 8.2889 122.3512 53.8852 19.3851 175.9787 133 T 3.9593 9.0987 114.4498 62.2717 67.2806 174.1455 134 G 3.9228 7.9984 106.8742 46.2597 0.0000 175.5924 135 S 4.1353 8.2903 117.3086 61.5690 62.6185 175.8190 136 D 4.6603 8.2797 120.5011 57.6068 40.7414 178.1610 137 M 4.2711 8.2740 118.8051 57.1731 31.9495 178.3283 138 I 3.0146 7.2120 121.1861 64.4858 37.3268 178.3299 139 S 4.0796 7.8126 113.9358 61.3615 62.8723 176.5003 140 T 3.8730 7.7345 119.1353 66.5583 68.3184 176.6270 141 V 3.5673 7.8877 120.3350 65.8932 31.5053 177.7753 142 Q 3.7365 8.0623 119.0629 59.1599 28.8525 178.1898 143 A 3.9349 8.0357 121.4904 55.1073 18.3677 179.5129 144 A 3.9316 8.2764 119.4978 55.1854 18.4511 179.8139 145 L 4.0278 8.0604 117.6619 57.9469 41.6085 179.9228 146 I 3.7057 7.8739 119.7816 64.1684 36.8587 178.1378 147 K 3.8548 7.9161 119.2816 59.7898 32.0258 178.5242 148 I 3.7362 7.6645 118.5629 64.1396 37.1703 177.2966 149 Y 4.4344 7.8867 115.1171 56.8770 39.7842 175.9672 150 K 3.9490 8.3504 117.0954 56.7991 30.0375 172.6140 151 P 4.5514 0.0000 0.0000 61.9768 32.8288 177.5892 152 L 3.3291 7.7500 124.6658 57.9956 42.1985 179.5626 153 W 4.8310 8.5404 118.7252 59.9546 29.2758 178.3600 154 N 4.5604 8.5598 114.9705 55.7081 38.1346 175.8174 155 T 4.5112 8.1218 106.1283 61.5895 70.3034 174.4116 156 V 4.2304 8.4369 119.5013 64.1525 33.4856 176.5534 157 V 4.2706 7.6319 120.4061 61.4028 30.1056 174.5389 158 D 5.2188 7.1377 123.3029 52.1732 41.1413 177.0720 159 G 3.8957 9.2010 109.1929 47.0602 0.0000 176.0222 160 F 2.5555 8.0755 121.8028 60.6072 39.0193 175.9310 161 G 3.7253 7.7078 105.9255 45.6965 0.0000 173.2623 162 N 4.2386 8.0433 119.7838 53.5489 38.7772 175.0392 163 H 4.4533 8.3437 120.5387 54.6584 29.8815 174.9245 164 T 2.0000 7.9605 115.9320 63.3506 68.4057 172.8901 165 P 3.9359 0.0000 0.0000 63.3756 31.9302 178.0761 166 G 3.8995 7.9821 102.2898 45.1525 0.0000 172.5380 167 A 4.3084 8.1680 123.4595 53.0079 19.0056 176.4368 168 G 4.4078 9.5126 108.8400 45.6565 0.0000 175.2392 169 R 4.5882 8.2186 117.3914 55.3207 31.1732 177.3146 170 F 4.5343 8.3511 115.0809 59.2376 38.4622 176.2495 171 A 4.2727 7.4458 119.6920 52.1328 19.0477 177.4981 172 Q 4.2965 7.8212 114.1322 55.4589 30.4447 175.2832 173 A 4.6141 8.3667 121.4782 50.9493 19.5189 177.3806 174 K 4.1095 8.8960 122.6910 56.9848 32.8909 176.7569 175 S 4.5919 8.7758 120.3322 57.7034 64.3905 174.7831 176 D 4.3881 8.8854 121.0354 57.4127 40.5105 178.8737 177 W 4.0230 8.3636 128.6610 60.7446 30.4640 177.8033 178 D 4.2902 8.1151 117.8486 57.1678 40.2854 178.8600 179 V 3.6406 7.9014 119.4250 63.8714 31.5178 177.5732 180 I 4.0498 7.1148 111.5161 60.9036 39.3342 175.2006 181 H 4.5176 7.2867 116.8841 53.2672 28.9086 171.4676 182 P 4.1333 0.0000 0.0000 63.0836 31.9760 176.7591 183 G 3.9588 8.0036 107.7376 43.7435 0.0000 172.2538 184 R 3.9228 8.0473 125.9584 55.4010 30.8267 178.1230 185 E 3.9817 8.6645 123.3933 58.5146 30.2642 178.7076 186 W 4.2979 8.0916 115.7048 59.1726 28.5541 177.9805 187 A 3.9234 6.9472 121.8710 54.8552 17.8366 179.2571 188 E 4.0204 7.6809 114.7930 58.9369 29.5941 178.3233 189 K 4.2999 8.1269 117.2807 57.7670 32.7279 176.9549 190 C 4.6383 7.9572 118.0670 60.1815 28.1702 173.5672 191 T 4.4204 8.8861 114.6406 61.5399 69.2048 174.8864 192 G 4.0702 7.7030 110.0268 45.9870 0.0000 173.5923 193 V 4.1017 8.2764 120.7750 62.7062 31.8393 175.1909 194 H 5.0090 8.5010 123.5629 53.6300 31.0642 174.8309 195 S 4.3476 8.6924 114.9479 58.5579 63.4848 173.9677 196 E 4.5246 8.7930 121.6191 54.9764 31.0868 175.2003 197 P 4.1851 0.0000 0.0000 66.1850 31.4854 177.6767 198 Y 3.8309 8.1947 117.4669 60.9572 38.4685 178.1179 199 F 4.3785 8.2976 118.0220 59.9523 39.1877 178.0291 200 I 3.8945 8.0294 121.7775 65.1150 36.9745 178.7435 201 E 3.9875 8.3368 119.2394 60.9671 29.5403 180.7220 202 E 4.0971 7.9971 119.6674 58.9502 29.5353 179.1912 203 R 4.0790 8.1158 118.5586 59.0182 30.2812 178.9042 204 I 3.7544 8.0399 119.7517 64.2614 37.2110 178.1792 205 K 4.0459 8.1739 120.4277 59.7560 31.8853 178.5666 206 Q 4.0127 8.2146 118.0278 59.3207 28.5010 177.9671 207 Y 3.9871 7.9286 119.1379 61.1283 38.7564 178.1273 208 F 4.5450 8.0776 116.5182 59.4649 39.3072 177.5105 209 S 4.4977 8.1301 113.1764 59.0165 63.6326 175.0295 210 K 4.1620 7.6100 121.3798 56.7784 32.7932 177.1601 211 S 4.4114 7.9964 116.5117 56.9775 63.3768 174.3896 212 N 4.1536 8.2623 123.5642 53.4949 38.1545 173.3459 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 5 K 8.31 4.42 0.00 1.79 1.67 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 6 F 8.61 4.71 0.00 3.03 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 7 D 8.21 4.88 0.00 2.69 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 8 R 8.01 4.36 0.00 1.50 1.53 0.00 3.37 0.00 0.00 3.24 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.41 0.00 9 S 8.37 4.73 0.00 3.86 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 10 E 8.40 4.36 0.00 1.99 1.99 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 2.19 2.19 0.00 11 H 7.72 4.73 0.00 3.09 3.37 0.00 5.65 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 12 V 7.70 3.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.99 0.00 0.00 13 Y 8.51 4.83 0.00 2.84 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 14 R 7.80 4.49 0.00 1.64 1.58 0.00 3.25 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 15 N 8.14 4.84 0.00 2.36 2.54 0.00 0.00 6.83 8.47 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 16 D 8.50 4.96 0.00 2.66 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 17 S 8.13 4.36 0.00 3.95 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 18 F 8.88 4.12 0.00 3.34 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 19 L 8.10 4.03 0.00 1.86 1.68 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.03 3.93 0.00 2.23 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 2.49 2.47 0.00 21 L 7.47 3.84 0.00 1.36 1.13 0.84 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.47 3.67 1.80 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 0.10 0.92 0.00 0.00 23 K 8.36 4.06 0.00 2.05 1.86 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.44 7.81 24 D 8.15 4.32 0.00 2.89 2.84 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 0.00 0.00 0.00 25 A 8.15 4.11 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.37 3.67 2.25 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 1.19 0.00 0.00 1.00 0.00 0.00 27 R 8.46 4.00 0.00 2.06 2.03 0.00 3.21 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 28 F 8.65 4.15 0.00 2.97 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.99 3.92 0.00 3.38 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 30 S 8.58 4.37 0.00 4.09 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 31 G 7.42 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 0.00 0.00 0.00 32 T 6.47 3.60 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 0.28 0.00 0.00 33 P 0.00 4.12 0.00 1.83 1.82 0.00 3.26 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.88 0.00 34 V 7.65 4.04 1.61 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 -0.39 0.00 0.00 0.47 0.00 0.00 35 H 8.96 5.10 0.00 3.21 3.20 0.00 5.87 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 111 N 7.62 4.33 0.00 2.71 2.75 0.00 0.00 7.06 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 0.00 112 I 7.90 4.04 2.04 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.10 0.93 0.00 0.00 113 A 7.92 4.10 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.99 4.12 0.00 2.00 1.89 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.45 7.81 115 T 6.98 4.49 4.08 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 0.00 0.00 1.32 0.00 0.00 116 S 8.35 4.53 0.00 3.82 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 0.00 117 N 7.97 4.87 0.00 2.44 2.77 0.00 0.00 5.84 7.79 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 0.00 118 L 7.65 4.85 0.00 1.73 2.01 0.95 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 119 D 8.76 4.92 0.00 2.82 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 0.00 120 L 8.84 4.34 0.00 1.89 1.79 1.04 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 121 C 8.42 4.46 0.00 3.23 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 0.00 122 D 8.42 4.54 0.00 2.72 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 0.00 0.00 0.00 123 F 7.86 5.22 0.00 3.23 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 9.43 5.08 0.00 3.61 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 0.00 125 C 9.21 6.20 0.00 3.29 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 0.00 126 R 8.84 5.06 0.00 1.84 1.23 0.00 2.99 0.00 0.00 2.95 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.35 0.00 127 F 7.73 5.62 0.00 3.30 3.20 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 0.00 128 V 9.41 4.51 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 0.71 0.00 0.00 1.04 0.00 0.00 129 I 8.55 5.03 1.97 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 1.64 1.01 1.05 0.00 0.00 130 F 9.16 4.76 0.00 2.93 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 0.00 131 E 9.20 4.27 0.00 2.05 1.92 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 2.44 2.27 0.00 132 A 8.29 4.10 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 T 9.10 3.96 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 134 G 8.00 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 0.00 135 S 8.29 4.14 0.00 3.97 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 0.00 136 D 8.28 4.66 0.00 2.73 2.84 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 0.00 0.00 0.00 137 M 8.27 4.27 0.00 1.95 2.22 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.72 0.00 138 I 7.21 3.01 1.57 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 0.90 0.41 0.74 0.00 0.00 139 S 7.81 4.08 0.00 3.97 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 0.00 140 T 7.73 3.87 4.45 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 1.35 0.00 0.00 141 V 7.89 3.57 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.12 0.00 0.00 142 Q 8.06 3.74 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 143 A 8.04 3.93 1.37 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 0.00 0.00 144 A 8.28 3.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.06 4.03 0.00 1.68 1.61 0.11 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.87 3.71 1.96 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.42 0.91 0.00 0.00 147 K 7.92 3.85 0.00 1.73 1.98 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 148 I 7.66 3.74 1.52 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.60 0.28 0.00 0.00 149 Y 7.89 4.43 0.00 3.12 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 0.00 150 K 8.35 3.95 0.00 1.91 1.97 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.67 7.81 151 P 0.00 4.55 0.00 2.32 2.00 0.00 3.63 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 2.01 2.07 0.00 152 L 7.75 3.33 0.00 0.70 1.30 0.22 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 153 W 8.54 4.83 0.00 3.74 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 0.00 154 N 8.56 4.56 0.00 2.71 2.87 0.00 0.00 6.77 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 0.00 155 T 8.12 4.51 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 156 V 8.44 4.23 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 0.86 0.00 0.00 1.01 0.00 0.00 157 V 7.63 4.27 2.47 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 1.08 0.00 0.00 1.15 0.00 0.00 158 D 7.14 5.22 0.00 3.01 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 0.00 159 G 9.20 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 0.00 160 F 8.08 2.56 0.00 1.51 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.71 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 0.00 0.00 0.00 162 N 8.04 4.24 0.00 3.16 2.73 0.00 0.00 6.96 8.20 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 0.00 163 H 8.34 4.45 0.00 2.95 3.06 0.00 5.76 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 T 7.96 2.00 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 0.99 0.00 0.00 165 P 0.00 3.94 0.00 1.87 2.03 0.00 2.77 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.42 0.00 166 G 7.98 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 0.00 167 A 8.17 4.31 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 G 9.51 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 R 8.22 4.59 0.00 1.99 1.82 0.00 3.06 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 170 F 8.35 4.53 0.00 3.22 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 0.00 171 A 7.45 4.27 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Q 7.82 4.30 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.92 0.00 0.00 0.00 0.00 0.00 2.58 2.37 0.00 173 A 8.37 4.61 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 K 8.90 4.11 0.00 1.82 1.74 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.41 7.81 175 S 8.78 4.59 0.00 4.29 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 0.00 176 D 8.89 4.39 0.00 3.00 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 0.00 177 W 8.36 4.02 0.00 3.54 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 0.00 178 D 8.12 4.29 0.00 2.84 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 0.00 179 V 7.90 3.64 1.89 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 0.82 0.00 0.00 0.92 0.00 0.00 180 I 7.11 4.05 1.71 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 -0.09 0.86 0.00 0.00 181 H 7.29 4.52 0.00 1.40 2.08 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 P 0.00 4.13 0.00 2.10 2.06 0.00 3.49 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 1.95 1.86 0.00 183 G 8.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 R 8.05 3.92 0.00 1.15 1.03 0.00 3.29 0.00 0.00 2.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 185 E 8.66 3.98 0.00 2.03 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 2.39 2.51 0.00 186 W 8.09 4.30 0.00 3.51 3.33 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 0.00 187 A 6.95 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 E 7.68 4.02 0.00 2.16 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 2.24 0.00 189 K 8.13 4.30 0.00 2.06 1.99 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.50 7.81 190 C 7.96 4.64 0.00 3.15 3.26 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 0.00 191 T 8.89 4.42 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 1.58 0.00 0.00 192 G 7.70 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 V 8.28 4.10 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 0.82 0.00 0.00 0.93 0.00 0.00 194 H 8.50 5.01 0.00 3.28 3.35 0.00 5.78 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 S 8.69 4.35 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 0.00 196 E 8.79 4.52 0.00 2.31 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 2.54 2.80 0.00 197 P 0.00 4.19 0.00 2.22 2.18 0.00 3.71 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 198 Y 8.19 3.83 0.00 2.94 2.57 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 0.00 0.00 0.00 0.00 199 F 8.30 4.38 0.00 3.31 3.19 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 0.00 200 I 8.03 3.89 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.70 0.99 0.00 0.00 201 E 8.34 3.99 0.00 1.98 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 2.24 2.18 0.00 202 E 8.00 4.10 0.00 1.93 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 2.42 2.44 0.00 203 R 8.12 4.08 0.00 2.18 2.05 0.00 3.27 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.95 0.00 204 I 8.04 3.75 2.03 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.52 1.38 0.00 0.00 205 K 8.17 4.05 0.00 1.86 2.06 0.00 1.62 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.55 7.81 206 Q 8.21 4.01 0.00 2.48 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.45 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 207 Y 7.93 3.99 0.00 2.89 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 0.00 208 F 8.08 4.54 0.00 3.19 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 0.00 209 S 8.13 4.50 0.00 4.07 4.11 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 0.00 210 K 7.61 4.16 0.00 1.85 1.96 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.30 7.81 211 S 8.00 4.41 0.00 3.92 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 0.00 212 N 8.26 4.15 0.00 2.70 2.54 0.00 0.00 6.79 7.56 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 * Residues marked with a * may have inaccurate shift predictions.