NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 T 4.2358 8.1749 110.9141 60.4211 70.9225 173.9633 22 P 3.9749 0.0000 0.0000 62.3774 32.0018 173.0256 23 E 4.2745 8.5759 122.3348 56.4685 31.5597 175.7486 24 V 4.7483 8.2089 120.8041 60.1859 33.4424 175.1560 25 K 4.6944 8.3407 124.8327 53.7527 35.0988 174.4390 26 P 5.2588 0.0000 0.0000 61.6862 32.2567 177.4448 27 L 3.8349 9.5807 125.5342 58.4151 41.8483 179.4328 28 K 3.8880 8.3318 118.0423 59.6819 31.6763 178.9086 29 S 4.1562 8.1797 113.4874 60.5923 62.8218 175.3540 30 L 4.4037 8.2760 123.1079 55.4981 42.7440 176.5359 31 L 4.5672 7.7079 114.8853 53.3630 44.5671 178.1847 32 G 3.9946 7.9879 106.0633 45.5121 0.0000 175.2167 33 D 4.4794 8.7180 119.4329 57.1662 41.0342 177.2514 34 S 4.3552 7.8349 111.6913 58.1273 63.3222 173.7274 35 A 3.9135 7.4808 125.0370 52.0917 17.7787 176.8293 36 P 4.3070 0.0000 0.0000 63.9204 31.8287 175.8268 37 T 4.4780 7.9429 116.1476 61.5877 70.4188 174.4666 38 L 4.1497 8.2682 125.8581 55.0006 42.4929 176.3194 39 H 4.7495 9.0260 119.8413 54.0452 31.7617 173.5461 40 L 4.4363 8.5192 123.5470 53.4043 43.1834 175.2660 41 N 3.5600 7.8793 115.5154 53.2628 38.2014 175.4326 *44 M 4.2869 7.4433 114.8941 55.1384 33.1279 176.5300 45 A 4.5761 7.8411 135.0000 52.1615 17.1129 181.0094 46 I 3.2068 7.8226 125.9093 62.7986 36.5472 175.8857 47 L 4.2093 8.3209 126.4554 55.5744 41.9918 177.2710 48 F 5.2804 7.2128 124.6467 57.9816 42.2868 172.2292 49 A 5.4019 8.0414 126.9616 50.6417 22.9873 174.9979 50 V 4.8095 8.6819 111.6991 59.9291 37.0943 174.0043 51 V 4.4916 8.5243 122.3310 61.0015 33.9633 174.3067 52 A 4.9125 8.3202 127.8756 50.5487 23.3133 174.6087 53 R 4.6023 9.0621 121.0279 54.1169 32.3783 175.8922 54 G 3.7731 7.9742 116.7162 47.4607 0.0000 173.9629 55 T 4.1548 8.5397 114.3349 61.5342 69.0586 174.7295 56 T 4.1477 8.4844 122.0422 62.2113 68.1092 173.9156 57 I 4.0840 7.7692 128.6317 60.9181 37.6860 176.9234 58 L 4.2178 8.6613 125.7278 55.9259 43.1293 176.4599 59 A 4.9907 7.5285 117.3749 51.2804 22.1158 175.2585 60 K 4.8225 9.3460 119.0680 56.3783 36.2894 174.8516 61 H 4.4460 8.5702 120.3713 54.7876 33.3006 172.2715 62 A 4.9579 8.0594 126.5775 50.0513 21.6683 176.0908 63 W 4.8946 8.3130 115.5791 55.6794 31.6152 175.6072 64 C 4.9028 7.3591 111.2695 58.5196 32.4372 172.8784 65 G 4.3457 9.0324 106.4651 44.2899 0.0000 173.1568 66 G 3.9005 8.1309 106.5211 44.3511 0.0000 172.9227 67 N 4.8096 7.0289 116.4934 52.5469 38.2148 177.2587 68 F 3.7550 7.7312 121.2890 61.7553 39.1600 176.6979 69 L 4.0549 7.9415 117.7626 58.0112 41.6885 179.1289 70 E 3.9162 8.1003 118.5096 59.1694 29.0766 178.8785 71 V 3.5584 7.8004 118.1271 66.4093 31.7060 177.8339 72 T 3.9525 8.2912 115.8456 67.0372 68.3137 176.2832 73 E 3.9662 8.2140 120.0824 59.5871 29.3052 179.3703 74 Q 3.9858 7.4137 115.6026 58.8235 29.0675 178.9088 75 I 3.7529 7.2056 119.9536 64.1537 36.9200 178.3511 76 L 3.9110 8.3208 119.8032 57.5059 41.1038 179.4576 77 A 4.1866 7.8272 120.2977 54.0781 18.3815 178.7247 78 K 4.3594 7.5070 113.8934 55.4321 33.5432 176.8959 79 I 3.8239 6.6038 122.0416 60.3553 37.4117 174.3911 80 P 4.6098 0.0000 0.0000 62.2374 32.2937 176.0778 81 S 4.5140 8.0334 112.1371 58.2878 63.5443 174.6300 82 E 4.0617 8.0523 121.0373 56.7904 29.4397 176.4306 83 N 4.7005 8.8161 119.5562 53.7858 39.9183 173.5223 84 N 4.2321 8.2554 120.5376 53.8651 43.6469 173.1746 85 K 4.9795 8.1675 120.3691 55.0234 36.2663 175.3104 86 L 4.2539 7.9843 124.0739 54.6703 46.5115 173.2288 87 T 5.2199 8.3234 118.2758 62.0621 72.1621 173.1092 88 Y 5.8535 9.5085 123.0093 55.7339 41.6837 174.6929 89 S 5.2764 8.7974 115.0088 57.0577 66.3973 172.3486 90 H 4.8853 10.0608 123.5609 56.4008 33.6081 173.7495 91 G 3.6762 8.7272 110.8792 46.1759 0.0000 176.5239 92 N 4.2671 9.0846 129.6598 54.9228 39.0336 173.7458 93 Y 4.9998 8.0426 115.0629 55.9940 41.9396 174.6066 94 L 5.4813 8.4285 118.9621 53.1971 45.8474 176.0016 95 F 5.3776 9.9522 122.0298 56.3464 41.3800 174.1250 96 H 5.5548 9.5052 122.2778 54.3036 31.1704 173.6757 97 Y 5.5673 9.1027 119.8765 55.7508 42.0072 173.6324 98 I 5.0988 9.0579 122.4347 59.8954 40.2383 174.0469 99 C 5.5456 9.4267 127.1695 57.8822 34.6611 172.5253 100 Q 4.8956 8.9188 125.8996 55.6739 32.3805 174.1811 101 D 4.6076 9.7853 124.7583 55.5045 38.9474 174.8048 102 R 4.1722 8.2254 116.1506 56.1371 27.7817 175.2106 103 I 4.5065 7.8675 120.6029 59.7351 38.7888 175.0379 104 V 4.4176 8.4773 128.8565 62.5259 32.9599 174.2314 105 Y 5.0445 9.5815 126.1381 56.2560 40.2181 174.5293 106 L 5.6176 8.8849 126.3185 53.5962 46.2488 174.8245 107 C 5.5458 9.5095 118.2492 57.0697 33.8578 172.5290 108 I 4.9555 8.9253 121.0100 60.1021 40.1481 175.1439 109 T 4.8929 8.4970 115.6992 60.6215 72.3803 171.8837 110 D 5.3617 7.6509 119.6078 51.9565 42.3829 177.1350 111 D 4.3318 10.0680 118.7318 57.4691 41.3534 177.6086 112 D 4.4785 7.9519 116.0963 55.7438 41.6765 176.0562 113 F 4.0810 8.2574 121.2636 58.5466 39.9059 175.0829 114 E 4.0662 7.2550 125.6671 55.5615 27.9406 177.8628 115 R 4.2642 8.6181 123.8361 58.4455 30.4514 178.6986 116 S 4.4977 8.6843 114.0816 60.7068 63.3375 176.4642 117 R 3.8083 8.5378 122.8221 59.4474 29.9997 178.9799 118 A 3.8889 7.8715 119.8249 54.8495 19.1277 179.3781 119 F 4.2259 8.3360 115.9307 60.0387 38.9125 178.2281 120 S 4.2079 7.8056 114.2967 61.5741 62.9768 175.5950 121 F 4.4971 8.6058 124.3568 61.7404 38.9613 177.0768 122 L 3.5486 8.4713 118.4579 57.7020 41.5505 179.5942 123 N 4.2749 7.8105 116.7751 56.0353 38.4982 177.0963 124 E 3.9749 8.1651 120.8812 58.9898 29.7920 178.6730 125 V 3.6784 7.5917 118.4123 66.4855 31.5059 177.6245 126 K 2.7342 7.7889 117.3936 59.8326 31.8331 179.0882 127 K 3.9992 7.8104 117.0398 59.7157 31.6690 179.6681 128 R 4.2363 8.0959 119.6619 58.4120 29.9505 178.5232 129 F 4.2282 8.3496 119.3639 60.6855 39.7248 177.7953 130 Q 4.2142 8.5195 117.9325 58.7568 28.2722 178.9353 131 T 3.8348 8.0756 111.1568 65.1947 68.8393 177.0855 132 T 3.5355 7.1640 117.3003 65.5331 68.7773 175.5356 133 Y 4.5057 7.7097 117.5495 55.3252 39.5325 180.6529 134 G 3.9694 8.3604 106.1086 46.5987 0.0000 175.6462 135 S 4.1774 9.2343 121.2303 61.2367 63.3334 174.9270 136 R 3.8901 7.9757 120.6258 59.6360 28.9950 178.5468 137 A 3.9043 7.7149 119.2734 54.7404 18.1496 179.3983 138 Q 4.1294 8.1512 115.9584 58.1010 28.8359 177.0345 139 T 4.4387 7.1248 107.6363 61.2947 70.6876 174.4859 140 A 4.0967 8.4029 124.7684 52.0703 19.0871 177.0457 141 L 4.2949 8.1303 119.2401 53.1547 42.7039 175.0034 142 P 4.1397 0.0000 0.0000 64.7734 31.6600 176.7342 143 Y 3.6648 8.2776 118.2012 58.0060 36.6373 171.1025 144 A 4.0945 7.8072 123.0486 54.8905 17.1493 178.3036 145 M 4.3807 7.8806 113.2384 54.9434 32.9305 177.1266 146 N 4.2529 8.3657 119.3912 56.8353 39.5722 176.6887 147 S 4.1865 8.2369 112.4601 61.2499 64.2081 175.3128 148 E 4.0268 8.3799 120.1234 56.7023 28.2061 177.9871 149 F 4.0854 5.8310 124.7214 61.0480 40.3168 175.6290 150 S 4.1409 8.7734 113.8858 61.5225 62.2485 176.1796 151 S 4.0668 7.7006 115.6306 61.4491 62.4999 176.3691 152 V 3.7101 6.9744 121.0274 65.4779 31.1123 177.0885 153 L 4.3905 7.3867 115.7959 55.0864 41.7495 176.6385 154 A 4.5360 8.2009 128.0899 52.2545 19.1482 176.0196 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 21 T 8.17 4.24 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 22 P 0.00 3.97 0.00 1.61 1.62 0.00 3.19 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.28 0.00 23 E 8.58 4.27 0.00 1.83 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 2.35 2.24 0.00 24 V 8.21 4.75 2.14 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 0.78 0.00 0.00 1.00 0.00 0.00 25 K 8.34 4.69 0.00 1.63 1.86 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.34 7.81 26 P 0.00 5.26 0.00 2.25 2.03 0.00 3.99 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.08 0.00 27 L 9.58 3.83 0.00 1.89 1.72 0.30 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.33 3.89 0.00 1.86 1.96 0.00 1.74 0.00 0.00 2.03 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.54 7.81 29 S 8.18 4.16 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 30 L 8.28 4.40 0.00 1.33 1.40 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.71 4.57 0.00 1.48 1.53 0.68 0.79 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 32 G 7.99 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 33 D 8.72 4.48 0.00 2.71 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 34 S 7.83 4.36 0.00 3.94 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 35 A 7.48 3.91 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 36 P 0.00 4.31 0.00 2.08 2.12 0.00 3.55 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 1.79 1.86 0.00 37 T 7.94 4.48 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 1.20 0.00 0.00 38 L 8.27 4.15 0.00 1.32 1.16 0.01 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 39 H 9.03 4.75 0.00 3.05 3.15 0.00 5.80 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.52 4.44 0.00 1.51 1.64 0.26 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 41 N 7.88 3.56 0.00 2.82 3.04 0.00 0.00 6.99 7.82 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 *44 M 7.44 4.29 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.60 0.00 45 A 7.84 4.58 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.82 3.21 0.56 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 -0.29 0.35 0.00 0.00 47 L 8.32 4.21 0.00 1.86 1.91 1.09 0.75 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 48 F 7.21 5.28 0.00 2.12 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 49 A 8.04 5.40 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.68 4.81 2.01 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 0.63 0.00 0.00 1.01 0.00 0.00 51 V 8.52 4.49 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 -0.82 0.00 0.00 0.68 0.00 0.00 52 A 8.32 4.91 1.05 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 0.00 0.00 53 R 9.06 4.60 0.00 1.73 1.68 0.00 3.22 0.00 0.00 3.39 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 54 G 7.97 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 0.00 0.00 0.00 55 T 8.54 4.15 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 56 T 8.48 4.15 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 1.08 0.00 0.00 57 I 7.77 4.08 1.51 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 1.35 0.55 0.80 0.00 0.00 58 L 8.66 4.22 0.00 1.42 1.64 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.53 4.99 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 60 K 9.35 4.82 0.00 1.40 1.71 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.31 7.81 61 H 8.57 4.45 0.00 2.88 2.53 0.00 5.55 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 62 A 8.06 4.96 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 63 W 8.31 4.89 0.00 3.30 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 C 7.36 4.90 0.00 3.16 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 9.03 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 0.00 0.00 0.00 0.00 66 G 8.13 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 67 N 7.03 4.81 0.00 2.90 2.94 0.00 0.00 7.42 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.73 3.76 0.00 2.50 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 69 L 7.94 4.05 0.00 1.77 1.84 1.05 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.10 3.92 0.00 2.02 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 0.00 2.34 2.34 0.00 71 V 7.80 3.56 2.01 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 0.97 0.00 0.00 0.83 0.00 0.00 72 T 8.29 3.95 4.53 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 1.38 0.00 0.00 73 E 8.21 3.97 0.00 1.99 1.98 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 2.57 2.52 0.00 74 Q 7.41 3.99 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 75 I 7.21 3.75 1.89 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.03 0.69 0.00 0.00 76 L 8.32 3.91 0.00 1.75 1.78 0.90 0.79 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 77 A 7.83 4.19 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 78 K 7.51 4.36 0.00 1.65 1.77 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.37 7.81 79 I 6.60 3.82 1.66 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.49 0.56 0.00 0.00 80 P 0.00 4.61 0.00 2.54 2.10 0.00 3.86 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 2.09 2.04 0.00 81 S 8.03 4.51 0.00 3.97 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 82 E 8.05 4.06 0.00 2.02 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 2.36 2.44 0.00 83 N 8.82 4.70 0.00 2.72 2.80 0.00 0.00 6.61 6.92 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 84 N 8.26 4.23 0.00 3.00 2.82 0.00 0.00 6.91 6.09 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 85 K 8.17 4.98 0.00 1.41 1.48 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.38 7.81 86 L 7.98 4.25 0.00 1.30 0.71 0.77 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 87 T 8.32 5.22 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 1.28 0.00 0.00 88 Y 9.51 5.85 0.00 3.02 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 89 S 8.80 5.28 0.00 3.96 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 90 H 10.06 4.89 0.00 3.26 3.40 0.00 5.61 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 91 G 8.73 3.68 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 0.00 0.00 0.00 92 N 9.08 4.27 0.00 1.76 2.37 0.00 0.00 6.65 7.48 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 93 Y 8.04 5.00 0.00 2.69 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 94 L 8.43 5.48 0.00 1.54 1.49 1.14 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 95 F 9.95 5.38 0.00 3.07 3.17 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 0.00 0.00 0.00 0.00 96 H 9.51 5.55 0.00 2.83 2.47 0.00 5.59 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 9.10 5.57 0.00 3.15 3.13 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 98 I 9.06 5.10 2.03 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 1.34 0.86 1.00 0.00 0.00 99 C 9.43 5.55 0.00 3.21 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 8.92 4.90 0.00 2.29 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 5.98 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 101 D 9.79 4.61 0.00 2.96 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.23 4.17 0.00 2.19 2.16 0.00 3.11 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 103 I 7.87 4.51 2.05 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 1.15 0.25 0.00 0.00 104 V 8.48 4.42 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 0.87 0.00 0.00 0.83 0.00 0.00 105 Y 9.58 5.04 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.88 5.62 0.00 1.83 1.56 1.05 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 0.00 107 C 9.51 5.55 0.00 3.17 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 0.00 108 I 8.93 4.96 1.94 0.00 0.00 1.00 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 1.16 0.41 0.00 0.00 109 T 8.50 4.89 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 0.47 0.00 0.00 110 D 7.65 5.36 0.00 2.61 2.78 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 0.00 111 D 10.07 4.33 0.00 2.71 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 0.00 112 D 7.95 4.48 0.00 2.66 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 0.00 113 F 8.26 4.08 0.00 2.95 2.97 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 0.00 114 E 7.25 4.07 0.00 1.62 1.64 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 2.29 2.20 0.00 115 R 8.62 4.26 0.00 1.91 2.27 0.00 3.34 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.78 0.00 116 S 8.68 4.50 0.00 4.01 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 0.00 117 R 8.54 3.81 0.00 1.82 2.02 0.00 3.25 0.00 0.00 3.40 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.57 0.00 118 A 7.87 3.89 1.08 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 0.00 0.00 119 F 8.34 4.23 0.00 3.18 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 0.00 120 S 7.81 4.21 0.00 4.01 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 0.00 121 F 8.61 4.50 0.00 3.09 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.47 3.55 0.00 1.67 1.65 0.77 0.99 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 0.00 123 N 7.81 4.27 0.00 2.99 2.86 0.00 0.00 6.51 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 0.00 124 E 8.17 3.97 0.00 2.08 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 0.00 2.33 2.35 0.00 125 V 7.59 3.68 2.01 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 1.21 0.00 0.00 0.49 0.00 0.00 126 K 7.79 2.73 0.00 1.84 1.61 0.00 1.55 0.00 0.00 1.53 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.44 1.25 7.81 127 K 7.81 4.00 0.00 1.94 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.54 7.81 128 R 8.10 4.24 0.00 2.33 2.33 0.00 3.17 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 129 F 8.35 4.23 0.00 3.32 3.25 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 0.00 130 Q 8.52 4.21 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.60 0.00 0.00 0.00 0.00 0.00 2.53 2.67 0.00 131 T 8.08 3.83 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 1.24 0.00 0.00 132 T 7.16 3.54 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 0.34 0.00 0.00 133 Y 7.71 4.51 0.00 2.59 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 0.00 134 G 8.36 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 0.00 0.00 0.00 135 S 9.23 4.18 0.00 3.89 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 0.00 136 R 7.98 3.89 0.00 1.94 2.00 0.00 3.16 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 137 A 7.71 3.90 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 Q 8.15 4.13 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 139 T 7.12 4.44 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 1.21 0.00 0.00 140 A 8.40 4.10 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.13 4.29 0.00 1.72 1.60 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 142 P 0.00 4.14 0.00 2.14 1.78 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 143 Y 8.28 3.66 0.00 3.25 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 0.00 144 A 7.81 4.09 1.29 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 0.00 145 M 7.88 4.38 0.00 1.72 2.01 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.81 0.00 146 N 8.37 4.25 0.00 3.06 2.89 0.00 0.00 6.87 7.24 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 0.00 147 S 8.24 4.19 0.00 4.04 4.03 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 0.00 0.00 0.00 148 E 8.38 4.03 0.00 2.13 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 2.53 2.36 0.00 149 F 5.83 4.09 0.00 3.49 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 0.00 150 S 8.77 4.14 0.00 4.05 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 0.00 151 S 7.70 4.07 0.00 4.11 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 0.00 152 V 6.97 3.71 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 0.52 0.00 0.00 0.89 0.00 0.00 153 L 7.39 4.39 0.00 1.83 1.83 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 154 A 8.20 4.54 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.