NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1586 8.0249 120.7872 60.8196 39.1817 174.6465 3 Q 4.5495 8.4117 124.3794 52.3402 32.1750 173.3360 4 S 4.9429 9.1013 115.8383 56.8176 67.2184 173.0050 5 Q 4.6361 8.7275 121.1642 54.6832 30.1749 175.8951 6 I 4.4589 8.1376 110.6682 59.9712 39.1692 174.6893 7 N 4.8922 7.8628 120.2538 51.0950 40.7370 174.8094 8 R 3.9794 8.5836 123.4972 59.1156 29.4324 178.3494 9 N 4.3513 8.8610 117.9935 55.9732 38.3961 177.2572 10 I 3.6814 7.4522 121.5248 64.6616 37.2391 178.7009 11 R 4.0389 7.8990 118.0391 58.8828 30.0983 178.8761 12 L 4.1129 8.0682 119.1588 57.5080 41.6598 179.0641 13 D 4.3598 8.5036 119.5744 57.1525 40.6840 178.4020 14 L 3.9212 7.9450 120.6348 58.1477 41.9998 178.7770 15 A 4.1373 8.3215 121.0539 55.4450 18.2730 179.3757 16 D 4.2802 8.1194 116.7739 57.4261 40.8485 178.8534 17 A 4.0158 7.9827 121.1789 55.1096 18.3530 179.7275 18 I 3.6453 8.1604 118.7045 64.6545 37.2423 178.6971 19 L 4.0734 8.2051 119.9908 57.5560 41.3490 179.4497 20 L 3.9267 7.9970 120.4028 58.0691 42.1014 178.8850 21 S 4.0219 8.1832 113.1721 61.2793 62.3729 175.6963 22 K 3.7129 8.4046 122.5022 59.7732 31.7844 178.4530 23 A 3.9589 8.0773 120.6401 55.1050 18.0892 179.8006 24 K 3.9632 8.0393 116.1197 59.1223 32.2171 178.9046 25 K 4.1678 7.9975 116.0610 55.5004 32.8306 175.9121 26 D 4.2996 7.6755 117.9161 55.1175 40.0156 173.1181 27 L 4.7480 7.9683 116.1749 52.7311 43.7966 177.3883 28 S 4.6216 8.2224 115.7923 56.8703 66.4902 175.3292 29 F 4.2462 8.3663 121.4954 60.6648 38.7669 177.7192 30 A 4.0757 8.1275 119.9485 55.4546 17.9105 179.4572 31 E 4.4828 8.4561 118.6427 59.0193 29.2699 179.6001 32 I 3.7790 7.7384 119.0219 64.2786 37.5091 177.9005 33 A 4.2369 8.2618 120.7452 53.0259 18.6902 177.2795 34 D 4.4871 7.4266 118.3873 56.0395 41.3116 177.9030 35 G 4.0708 8.9784 111.6280 45.6771 0.0000 174.2204 36 T 4.0626 7.7387 108.9814 62.0545 69.3651 176.3104 37 G 3.9503 8.4335 108.8275 45.1810 0.0000 172.7784 38 L 4.7141 7.5286 118.5347 52.2462 44.4322 176.9700 39 A 4.2608 8.2729 123.1130 51.7777 20.3556 178.6958 40 E 3.9238 8.8221 120.2842 59.6984 29.5397 179.5620 41 A 3.9051 7.9351 121.1403 54.6651 18.5014 179.3131 42 F 3.8378 8.1053 118.7407 61.4845 39.6231 177.5855 43 V 3.6185 8.1852 118.0891 66.1385 31.2697 178.1770 44 T 3.7469 8.2601 115.8346 66.3989 68.2115 176.4119 45 A 3.8104 7.7880 122.4979 55.0139 18.3286 179.5624 46 A 4.1545 7.6154 120.4097 54.8159 18.2447 179.6703 47 L 3.9951 7.7561 116.3033 57.9262 41.7631 178.9472 48 L 4.4433 7.6953 115.9173 54.6602 41.5745 177.6221 49 G 3.9225 8.1050 107.1029 45.5782 0.0000 174.3714 50 Q 4.5086 8.2049 116.3144 55.4766 29.9416 174.8424 51 Q 4.6136 7.4289 115.9319 54.4529 33.8496 172.9080 52 A 4.9330 8.4847 121.7554 50.4437 21.1122 176.4251 53 L 4.6779 8.7121 122.0355 52.8970 43.6809 175.2890 54 P 4.5146 0.0000 0.0000 62.2275 32.3118 177.2892 55 A 4.0019 8.7306 122.3713 55.7946 18.2255 180.0727 56 D 4.2823 8.0965 116.5318 57.3292 40.8989 178.7016 57 A 4.0305 8.0155 120.7766 54.8794 18.3979 179.2843 58 A 3.9484 8.3154 119.6037 55.5200 18.4838 180.1063 59 R 3.8583 8.2445 116.7347 59.1273 30.0972 179.0308 60 L 3.9429 8.0109 120.0590 58.4867 42.1819 179.6208 61 V 3.8070 8.1561 112.5694 64.0535 31.3901 178.8378 62 G 3.6175 8.3868 105.6627 47.8363 0.0000 175.6587 63 A 4.0579 8.1859 123.5052 54.7085 18.1593 179.7654 64 K 3.9185 7.8919 116.1605 59.0484 32.2099 178.5142 65 L 4.4083 7.7363 115.8791 53.1259 42.6318 175.7397 66 D 4.3356 7.5704 117.5525 55.1087 40.0551 173.4979 67 L 4.3506 8.1098 117.6899 54.0513 43.1495 177.7502 68 D 4.7247 8.2394 121.5646 52.7405 42.0938 177.3677 69 E 4.0229 8.5403 118.6351 59.5148 29.3047 179.2947 70 D 4.3965 8.0602 118.6599 57.3839 40.9282 178.8535 71 S 4.1227 8.7206 116.0245 61.6760 62.6465 176.6505 72 I 3.7322 7.6071 121.3646 64.2878 37.0773 177.9952 73 L 4.2566 8.0351 121.1551 58.1798 41.7588 178.9355 74 L 4.0280 8.0545 118.1728 57.8556 41.7378 179.2944 75 L 4.1655 8.0953 118.7570 56.8908 42.5670 177.3894 76 Q 4.9058 7.4297 118.9232 53.9786 27.2634 174.8145 *78 I 4.0939 7.3393 119.8099 60.4477 39.3104 174.6475 79 P 4.7647 0.0000 0.0000 62.0603 33.1680 175.7153 80 L 4.3859 8.2549 122.8210 53.8544 41.7243 176.3274 81 R 4.1664 8.3685 125.3070 55.7197 30.9022 175.1221 82 G 3.0125 8.1867 108.1155 44.8931 0.0000 173.2325 83 C 4.3186 8.1145 122.4127 58.4395 30.6900 174.2398 84 I 4.0956 7.4396 122.0182 60.2987 37.7135 174.8714 85 D 4.4745 8.8812 125.5211 57.1337 41.5201 176.6412 86 D 4.6420 7.3648 115.2445 53.1175 41.5830 173.7130 87 R 4.3380 8.2523 126.7785 56.2495 29.1320 177.0474 88 I 4.0938 7.1630 116.1227 58.3015 39.1711 173.9653 89 P 4.4448 0.0000 0.0000 62.9250 31.8236 176.3564 90 T 4.2454 8.2760 110.7885 62.8967 69.9121 175.0892 91 D 4.4880 7.9784 121.7065 53.3223 42.1193 173.8800 92 P 4.5028 0.0000 0.0000 66.3105 31.5101 179.0494 93 T 3.8127 7.5557 108.3521 64.9311 67.9363 174.3399 *95 Y 4.6538 7.9052 125.1438 57.6990 40.4447 177.2281 96 R 3.9457 8.0637 117.8502 59.4189 30.0666 178.7230 97 F 4.1656 8.0008 116.3099 60.4083 39.2800 176.5872 98 Y 4.1066 7.9381 118.9290 60.1760 38.8594 178.3976 99 E 4.1303 8.0150 122.7013 55.5317 29.2633 178.2961 *101 L 4.1738 7.9217 120.8543 54.9165 44.0683 178.3107 102 Q 3.7926 7.6038 116.5146 58.4813 28.5016 178.5453 103 V 3.7045 7.6452 118.3701 64.9725 32.1134 176.8130 104 Y 4.6614 7.4915 113.2357 57.5750 38.4520 177.6039 105 G 3.6457 8.2990 109.7619 48.1183 0.0000 176.2975 106 T 3.9949 7.8228 111.8382 64.7340 68.8627 176.8109 107 T 3.9100 7.9017 118.1689 66.2755 68.4779 176.3515 108 L 3.9929 8.4313 121.4298 57.6543 41.6518 179.3072 109 K 3.7563 8.1039 119.1316 59.6004 32.1295 178.5767 110 A 4.0290 8.1753 120.8851 55.3320 18.2688 179.6567 111 L 4.0239 8.3652 117.8454 57.5940 41.6990 179.8817 112 V 3.8240 8.1107 118.7314 66.4568 31.3625 177.9016 113 H 5.1396 8.3284 117.4051 58.2206 28.2860 177.4486 114 E 3.9384 8.1969 120.6139 59.2580 29.5909 178.6737 115 K 3.9506 8.1679 117.3995 57.9246 32.2128 178.0050 116 F 4.2734 8.3967 115.3171 60.4474 41.3600 174.5218 117 G 3.9055 7.4708 102.9782 43.4942 0.0000 172.4094 118 D 4.6971 8.6351 118.7934 54.7695 42.3096 175.3879 119 G 4.2096 7.9839 109.9236 45.1672 0.0000 172.6052 120 I 4.7904 8.3190 114.3530 59.3014 41.8547 174.7168 121 I 4.5643 8.1497 123.8536 59.9849 37.7535 175.9773 122 S 4.2132 9.0679 123.1391 58.3487 62.8932 173.7466 123 A 4.0271 8.4410 127.0060 51.9126 19.2773 176.7801 124 I 4.3153 7.9027 116.3648 63.5972 39.3440 176.9812 125 N 4.7717 7.8141 122.8780 52.1391 37.6602 172.1475 126 F 5.4359 8.0964 122.5449 56.6762 42.8585 172.4007 127 K 4.5586 7.9399 123.3476 55.3338 36.3060 174.4913 128 L 5.6806 8.2677 119.9854 53.2667 44.0368 174.8984 129 D 4.7626 8.2992 117.1336 52.1713 42.9783 173.9022 130 V 4.8328 8.3404 119.6360 61.1833 33.6626 174.7243 131 K 4.7320 8.9934 126.9072 54.4116 35.7794 174.9038 132 K 4.8687 8.6188 124.7653 55.4278 33.4482 175.9757 133 V 4.6525 8.6190 119.9404 59.0933 35.4111 175.0388 134 A 4.3999 8.5780 125.6272 51.9831 19.3345 176.5675 135 D 4.5850 8.8998 121.8870 52.4420 42.0975 175.7823 136 P 4.2192 0.0000 0.0000 65.7917 31.2352 176.7602 137 E 4.2423 8.6700 116.7757 55.9569 29.5549 176.6722 138 G 3.9649 8.3488 108.1863 46.3812 0.0000 175.4491 139 G 3.8449 9.2832 108.7353 43.9577 0.0000 171.6091 140 E 5.1806 8.3192 116.6214 54.7162 33.6210 175.4750 141 R 4.8231 9.1953 120.4529 54.3935 34.3580 174.1978 142 A 5.0447 8.5673 122.9824 50.4187 21.1926 176.4742 143 V 4.1825 8.7904 123.3064 61.4531 33.2907 174.5882 144 I 4.8663 8.4074 129.4227 59.9893 39.2659 175.3406 145 T 4.5047 8.7213 124.9666 61.9287 70.3193 173.7393 146 L 4.7572 8.5363 126.9498 53.2736 43.5329 175.8575 147 D 4.6147 8.5385 123.5778 52.3822 43.4260 174.1012 148 G 4.6665 8.5203 111.8080 43.7662 0.0000 170.5961 149 K 4.3473 8.7293 123.9548 56.0621 33.5618 175.4691 150 Y 4.7066 8.5214 128.1739 57.5059 39.8255 174.4172 151 L 4.4998 8.3138 126.1913 52.0719 44.7794 174.2609 152 P 4.6795 0.0000 0.0000 62.5568 33.0092 175.6175 153 T 4.5355 8.5391 118.6340 62.2780 69.8317 174.3034 154 K 4.6949 8.5085 125.2314 53.4703 35.6552 174.4637 155 P 4.4508 0.0000 0.0000 62.8230 31.9804 176.7166 156 F 4.5314 7.7013 114.1442 57.2614 37.9302 174.4643 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 2 I 8.02 4.16 1.88 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 1.42 1.36 0.91 0.00 0.00 3 Q 8.41 4.55 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.66 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 4 S 9.10 4.94 0.00 3.90 3.77 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 5 Q 8.73 4.64 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 6 I 8.14 4.46 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 1.30 0.66 0.91 0.00 0.00 7 N 7.86 4.89 0.00 2.76 2.67 0.00 0.00 6.95 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 8 R 8.58 3.98 0.00 2.06 2.27 0.00 3.11 0.00 0.00 3.32 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 9 N 8.86 4.35 0.00 2.86 2.91 0.00 0.00 6.83 7.12 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 10 I 7.45 3.68 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 1.52 0.97 0.91 0.00 0.00 11 R 7.90 4.04 0.00 1.81 1.96 0.00 3.28 0.00 0.00 3.52 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 12 L 8.07 4.11 0.00 1.68 1.70 0.91 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 13 D 8.50 4.36 0.00 2.86 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.95 3.92 0.00 1.78 1.83 0.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.32 4.14 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.12 4.28 0.00 2.91 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.98 4.02 1.36 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 0.00 0.00 18 I 8.16 3.65 2.06 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 1.53 0.68 0.96 0.00 0.00 19 L 8.21 4.07 0.00 1.83 1.75 0.99 0.99 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 20 L 8.00 3.93 0.00 1.77 1.82 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.18 4.02 0.00 3.92 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 22 K 8.40 3.71 0.00 1.76 1.93 0.00 1.11 0.00 0.00 1.17 0.00 0.00 2.28 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.22 7.81 23 A 8.08 3.96 1.36 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 0.00 0.00 24 K 8.04 3.96 0.00 1.88 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.64 7.81 25 K 8.00 4.17 0.00 1.76 1.82 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.50 7.81 26 D 7.68 4.30 0.00 2.76 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 27 L 7.97 4.75 0.00 1.56 1.47 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.22 4.62 0.00 4.04 3.94 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 29 F 8.37 4.25 0.00 3.15 3.08 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 0.00 30 A 8.13 4.08 1.36 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 0.00 0.00 31 E 8.46 4.48 0.00 2.13 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 2.33 2.21 0.00 32 I 7.74 3.78 2.07 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.50 0.96 0.00 0.00 33 A 8.26 4.24 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.43 4.49 0.00 3.00 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 35 G 8.98 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 36 T 7.74 4.06 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 1.25 0.00 0.00 37 G 8.43 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 38 L 7.53 4.71 0.00 1.73 1.66 1.04 0.44 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 39 A 8.27 4.26 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 40 E 8.82 3.92 0.00 2.25 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 2.38 2.39 0.00 41 A 7.94 3.91 1.33 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 42 F 8.11 3.84 0.00 3.19 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 43 V 8.19 3.62 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.13 0.00 0.00 44 T 8.26 3.75 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 0.25 0.00 0.00 45 A 7.79 3.81 1.18 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 0.00 0.00 46 A 7.62 4.15 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.76 4.00 0.00 1.84 1.85 1.15 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.70 4.44 0.00 1.53 1.63 0.75 0.93 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 49 G 8.11 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 50 Q 8.20 4.51 0.00 1.87 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 51 Q 7.43 4.61 0.00 1.26 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.02 1.41 0.00 52 A 8.48 4.93 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 53 L 8.71 4.68 0.00 1.64 1.65 0.95 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.51 0.00 2.20 1.99 0.00 3.71 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 55 A 8.73 4.00 1.33 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 56 D 8.10 4.28 0.00 2.71 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.02 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.32 3.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.24 3.86 0.00 2.00 2.00 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 60 L 8.01 3.94 0.00 1.88 1.78 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.16 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 0.82 0.00 0.00 1.04 0.00 0.00 62 G 8.39 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 63 A 8.19 4.06 1.36 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 0.00 0.00 64 K 7.89 3.92 0.00 1.93 1.89 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.65 7.81 65 L 7.74 4.41 0.00 1.74 1.68 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.57 4.34 0.00 2.68 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 67 L 8.11 4.35 0.00 1.64 1.58 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.24 4.72 0.00 2.95 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 69 E 8.54 4.02 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 2.40 2.34 0.00 70 D 8.06 4.40 0.00 2.76 2.72 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 71 S 8.72 4.12 0.00 4.00 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 72 I 7.61 3.73 2.01 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 1.41 0.58 0.92 0.00 0.00 73 L 8.04 4.26 0.00 1.88 1.86 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.05 4.03 0.00 1.79 1.72 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.10 4.17 0.00 1.89 1.73 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.43 4.91 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.39 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 *78 I 7.34 4.09 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.94 0.92 0.00 0.00 79 P 0.00 4.76 0.00 2.11 2.05 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 80 L 8.25 4.39 0.00 1.67 1.64 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.37 4.17 0.00 1.82 1.81 0.00 3.24 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 82 G 8.19 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 0.00 0.00 0.00 83 C 8.11 4.32 0.00 3.05 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 84 I 7.44 4.10 1.85 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 1.29 0.54 0.89 0.00 0.00 85 D 8.88 4.47 0.00 2.61 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 86 D 7.36 4.64 0.00 2.58 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 87 R 8.25 4.34 0.00 1.99 2.08 0.00 3.20 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 88 I 7.16 4.09 1.73 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.71 0.51 0.00 0.00 89 P 0.00 4.44 0.00 2.18 2.04 0.00 3.37 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 90 T 8.28 4.25 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 1.19 0.00 0.00 91 D 7.98 4.49 0.00 2.68 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 92 P 0.00 4.50 0.00 2.26 2.12 0.00 3.69 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 93 T 7.56 3.81 4.49 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 1.35 0.00 0.00 *95 Y 7.91 4.65 0.00 3.20 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 8.06 3.95 0.00 1.52 1.75 0.00 3.40 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.78 0.00 97 F 8.00 4.17 0.00 3.07 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 7.94 4.11 0.00 2.94 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 99 E 8.02 4.13 0.00 1.97 1.95 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 2.29 2.34 0.00 *101 L 7.92 4.17 0.00 1.68 1.53 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.60 3.79 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.68 0.00 0.00 0.00 0.00 0.00 1.68 2.37 0.00 103 V 7.65 3.70 1.90 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 0.25 0.00 0.00 0.83 0.00 0.00 104 Y 7.49 4.66 0.00 3.00 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 0.00 105 G 8.30 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 0.00 106 T 7.82 3.99 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 1.20 0.00 0.00 107 T 7.90 3.91 4.61 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 1.34 0.00 0.00 108 L 8.43 3.99 0.00 1.85 1.74 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.10 3.76 0.00 1.83 2.00 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.47 7.81 110 A 8.18 4.03 1.41 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 0.00 111 L 8.37 4.02 0.00 1.78 1.75 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.11 3.82 2.22 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 1.00 0.00 0.00 1.01 0.00 0.00 113 H 8.33 5.14 0.00 3.26 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.20 3.94 0.00 1.98 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 0.00 2.28 2.32 0.00 115 K 8.17 3.95 0.00 1.51 1.10 0.00 1.68 0.00 0.00 1.55 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.49 7.81 116 F 8.40 4.27 0.00 2.38 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 0.00 0.00 0.00 0.00 117 G 7.47 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 0.00 118 D 8.64 4.70 0.00 2.79 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 0.00 119 G 7.98 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 0.00 120 I 8.32 4.79 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.72 0.92 0.00 0.00 121 I 8.15 4.56 1.83 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 1.11 0.72 0.92 0.00 0.00 122 S 9.07 4.21 0.00 3.90 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 0.00 123 A 8.44 4.03 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 0.00 124 I 7.90 4.32 1.88 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 1.16 0.97 0.93 0.00 0.00 125 N 7.81 4.77 0.00 2.79 2.74 0.00 0.00 6.50 7.71 0.00 0.00 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 F 8.10 5.44 0.00 3.17 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 0.00 127 K 7.94 4.56 0.00 1.66 1.69 0.00 1.21 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.11 1.14 7.81 128 L 8.27 5.68 0.00 1.68 1.52 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.30 4.76 0.00 2.74 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 0.00 130 V 8.34 4.83 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 0.88 0.00 0.00 0.91 0.00 0.00 131 K 8.99 4.73 0.00 1.71 1.65 0.00 1.70 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.56 7.81 132 K 8.62 4.87 0.00 1.78 1.72 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.47 7.81 133 V 8.62 4.65 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 0.65 0.00 0.00 0.98 0.00 0.00 134 A 8.58 4.40 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 D 8.90 4.58 0.00 2.70 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 0.00 136 P 0.00 4.22 0.00 2.22 2.18 0.00 3.81 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 137 E 8.67 4.24 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 2.32 2.25 0.00 138 G 8.35 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 0.00 139 G 9.28 3.84 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 0.00 0.00 0.00 140 E 8.32 5.18 0.00 1.82 1.82 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 2.21 2.32 0.00 141 R 9.20 4.82 0.00 1.68 1.78 0.00 3.21 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 142 A 8.57 5.04 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 V 8.79 4.18 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 1.04 0.00 0.00 0.94 0.00 0.00 144 I 8.41 4.87 2.02 0.00 0.00 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 1.42 0.87 0.96 0.00 0.00 145 T 8.72 4.50 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 146 L 8.54 4.76 0.00 1.66 1.96 1.02 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.54 4.61 0.00 2.57 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 0.00 148 G 8.52 4.67 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 0.00 0.00 0.00 149 K 8.73 4.35 0.00 1.89 1.68 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.43 7.81 150 Y 8.52 4.71 0.00 2.32 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 0.00 151 L 8.31 4.50 0.00 1.42 1.35 0.86 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.68 0.00 2.05 1.95 0.00 3.46 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.90 0.00 153 T 8.54 4.54 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 1.31 0.00 0.00 154 K 8.51 4.69 0.00 1.75 1.72 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.43 7.81 155 P 0.00 4.45 0.00 2.02 1.92 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 156 F 7.70 4.53 0.00 3.08 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 * Residues marked with a * may have inaccurate shift predictions.