NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 5.1275 8.1300 115.1604 56.4203 39.8421 176.6855 13 V 3.4343 8.0030 122.6000 66.8857 31.3885 174.8968 14 A 4.0215 8.7565 121.3410 55.3101 18.6072 178.9048 15 E 3.9691 8.2097 116.6710 59.4670 29.5780 179.4437 16 L 4.0313 8.1356 119.1907 57.8413 41.7494 179.0755 17 N 4.4372 8.3088 116.4531 56.4464 38.2787 176.3852 18 N 4.7712 7.7767 114.4892 54.0561 38.7366 175.3833 19 L 4.6802 7.9628 120.7312 54.1128 42.3885 176.0982 20 L 4.2329 7.4292 119.0147 56.6309 41.8072 178.1617 21 G 3.9815 9.0055 111.2901 45.5113 0.0000 173.6320 22 R 4.5488 7.9681 119.2671 54.7544 32.5489 175.1701 23 E 4.6806 8.5855 122.3584 56.2813 30.4552 176.0769 24 V 4.7846 8.9254 119.0478 59.7325 37.0077 173.8384 25 Q 5.1124 9.0014 123.2923 54.3610 31.8492 174.2325 26 V 4.7714 9.3995 126.8988 61.1717 34.1984 174.1187 27 V 4.5404 8.4408 128.5347 61.7380 33.1076 174.6525 28 L 5.4038 9.0119 128.0950 52.9360 44.2517 177.7201 29 S 4.4012 9.1946 116.3128 59.9590 63.1860 174.5733 30 N 4.6406 8.1595 117.9141 53.0644 37.4816 175.7160 31 G 4.0319 8.2639 108.4370 45.3917 0.0000 174.1430 32 E 4.2896 8.4962 119.3244 56.2952 31.3326 176.4153 33 V 4.8370 7.9419 120.6844 61.8571 34.7875 173.2974 34 Y 5.0414 9.1080 126.0884 56.0280 40.8676 174.7872 35 K 4.9835 8.8990 124.6023 54.9088 35.6288 175.3630 36 G 4.4012 8.4183 112.6437 45.8388 0.0000 172.0180 37 V 4.3621 7.9871 120.2070 62.2633 32.8977 175.2453 38 L 4.3487 8.9616 130.7290 55.6465 42.2650 176.3087 39 H 4.6453 9.0052 126.5173 57.4993 31.8001 174.3380 40 A 4.6115 7.5471 116.3914 51.1050 22.4027 175.5324 41 V 4.9658 8.3281 119.4860 61.5289 34.8909 174.1111 42 D 5.0218 8.4812 126.5990 51.1214 41.9823 176.6514 43 N 4.2189 8.6603 115.6788 56.6601 38.3868 176.4099 44 Q 3.8367 7.9558 113.7497 55.9088 28.9546 176.0782 45 L 3.8144 8.0560 117.1973 55.4042 39.6421 174.3624 46 N 4.8377 8.5465 116.4850 53.6763 39.8964 174.2697 47 I 5.0278 8.6989 121.7955 59.5769 41.8105 174.3991 48 V 4.6311 8.6597 125.5640 61.1367 33.8341 174.2273 49 L 5.1597 8.8492 127.9004 53.0602 44.4996 175.1959 50 A 4.8310 9.0907 124.0368 50.6536 21.6647 176.4115 51 N 4.1027 8.3102 118.0555 54.2301 36.9191 173.6734 52 A 5.1593 7.9030 119.9780 51.0256 22.2956 177.6787 53 S 5.8236 9.4741 112.9926 56.4016 67.3027 172.4957 54 N 5.6218 8.2699 116.9818 49.6071 40.2909 175.3447 55 K 3.9532 8.5812 117.4695 58.5434 32.1016 178.1209 56 A 4.0877 7.9289 120.6543 52.9997 18.8502 178.3328 57 G 3.9701 8.3743 104.3186 44.7333 0.0000 173.8014 58 E 4.0899 8.1367 119.6861 56.2019 30.6099 176.1295 59 K 5.1363 8.0370 121.5031 54.6934 35.8795 175.5807 60 F 4.8539 9.1380 121.1898 55.6574 42.8904 175.5527 61 N 4.6396 9.0951 120.9540 56.4733 40.0532 174.8182 62 R 4.9773 7.8425 115.4674 54.3478 34.5867 174.9345 63 V 4.0901 8.4139 122.5280 61.0348 34.6658 174.0736 64 F 4.8368 8.8858 126.8679 56.4799 39.9064 174.8704 65 I 4.4334 8.6467 130.7947 60.4229 39.8247 176.3321 *67 Y 4.7692 8.4852 119.1039 58.1423 39.7434 177.5678 68 R 3.7388 7.0942 117.8602 58.4306 30.2789 176.6513 69 Y 4.2923 7.7841 113.6155 57.6681 38.5070 174.5715 70 I 4.3339 7.6449 122.5572 61.0436 37.2120 176.1054 71 V 4.0257 8.9275 128.8128 65.5423 31.8615 175.6064 72 H 4.9766 7.8272 113.5422 54.6741 31.6870 171.7030 73 I 5.0179 8.2754 119.9367 59.7040 39.5777 174.7785 74 D 5.1488 9.2255 126.1705 52.1351 44.5529 175.9228 75 S 4.5234 8.7316 116.6064 58.5627 63.8205 174.0730 76 T 4.4764 8.4231 110.9205 61.2195 70.3250 173.7870 77 E 4.6495 7.8706 120.2636 54.1336 31.5316 175.9951 78 R 4.1786 8.2389 117.7743 55.8888 30.4512 176.4801 79 R 4.2247 8.1524 117.8905 55.4606 30.9403 176.8551 80 I 3.6171 7.9743 121.3070 61.5641 37.5683 175.9133 81 D 4.4820 8.3767 123.9140 54.0888 42.4303 176.8321 *83 R 3.6764 8.4289 118.3270 56.0131 31.9915 177.9000 84 E 3.9604 8.8900 118.3636 59.3625 29.4375 178.6235 85 F 3.7474 8.5318 120.8089 60.9113 39.3171 177.0116 86 A 4.0929 7.9606 120.0636 55.1539 18.2440 179.5384 87 K 3.9340 8.3949 117.4059 59.8084 31.7980 179.6593 88 Q 4.1024 8.3319 118.0578 58.7586 28.6203 178.4479 89 A 4.0667 8.1539 122.1858 54.8386 17.9494 179.3147 90 E 3.9442 8.3321 118.1883 59.5126 29.5160 179.2553 91 K 4.0763 7.5553 116.0221 59.1426 32.1026 178.8033 92 I 3.9145 7.0999 117.7813 61.8689 38.6951 176.2736 93 F 4.9038 7.9253 117.1704 54.3773 38.7501 173.1341 94 P 4.2020 0.0000 0.0000 63.4109 32.5230 177.0763 95 G 3.7220 8.1176 110.3298 46.5521 0.0000 174.3994 *97 V 4.0889 7.4365 115.7159 62.6156 33.1705 175.1899 98 K 4.6259 9.5148 128.6535 54.7788 34.8827 174.5366 99 Y 4.6597 8.6895 126.9548 56.6756 40.7959 173.9131 100 I 4.0316 8.1871 128.3303 59.4181 38.2094 176.3289 101 E 3.7673 8.6673 129.2687 58.7978 30.0076 177.2790 102 E 4.0247 8.2446 118.9681 59.0323 29.4408 177.4624 103 T 4.4604 7.2835 103.5628 60.1394 69.7685 172.7253 104 N 4.1419 7.6637 117.5805 54.2787 38.0223 173.7161 105 V 4.6401 7.1177 114.6097 60.8175 35.7286 174.0244 106 V 4.8808 8.8338 125.8918 61.1633 34.1622 174.0584 107 L 5.0839 9.2417 128.0468 53.2512 43.8443 175.5977 108 I 4.3733 8.3807 123.7973 59.9441 39.8157 175.2357 109 G 3.9124 8.9412 118.1239 46.4889 0.0000 173.2001 110 D 4.8888 8.6828 123.8370 52.8332 40.3740 176.3009 111 K 4.5894 7.9133 115.9103 55.9883 34.3957 175.1237 112 V 4.6772 7.5852 119.4509 61.0780 34.8050 174.2395 113 R 5.0123 9.1208 127.8176 54.4923 33.7513 174.0463 114 V 4.8727 8.9591 125.3835 61.2540 34.7561 174.6302 115 S 5.1367 8.6410 122.3883 55.9776 66.0941 174.7977 116 E 4.1736 8.9087 116.5616 57.9189 29.1623 177.2962 117 I 4.3288 8.9441 119.4866 60.5633 38.8153 175.8725 118 G 3.3079 6.3127 107.5916 44.7806 0.0000 170.8255 119 V 4.6853 7.4273 118.7662 60.7312 33.8156 174.7054 120 E 4.5131 9.3222 127.8630 54.7217 31.5461 174.3461 121 G 4.5538 8.0652 110.3600 44.5216 0.0000 173.3765 122 V 4.3595 8.3086 112.3824 60.0209 35.5483 174.4677 123 G 3.8842 8.8208 107.5221 43.2725 0.0000 172.9580 124 P 4.3082 0.0000 0.0000 65.5037 31.1051 179.2403 125 V 3.8599 7.8532 116.5163 65.9647 31.5650 177.7926 126 A 4.0330 7.9635 120.0771 55.3002 18.3150 179.3275 127 E 4.1178 8.2939 117.1051 59.6091 29.4129 179.8424 128 R 4.0952 8.3624 118.0993 58.9604 30.1430 178.9743 129 A 4.3178 8.3521 120.8018 55.1323 18.4781 179.6688 130 K 3.9470 8.7119 117.3986 59.8747 32.1839 179.5291 131 R 4.0397 8.1478 118.1443 59.3227 30.1465 178.8500 132 L 4.1031 8.3787 120.1162 58.1787 42.3006 178.6100 133 F 4.2769 9.1906 121.0005 61.7089 39.2088 176.8687 134 E 4.2496 9.1807 118.4092 59.7195 29.0368 179.3172 135 E 4.0770 8.2259 117.7252 59.3014 29.5216 179.0815 136 F 4.0220 8.2355 117.0153 60.4325 39.0294 177.4212 137 L 4.1993 7.7811 117.3741 57.3557 41.4517 177.9118 138 K 4.3226 7.7642 122.2967 56.6173 32.2293 176.6206 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 12 F 8.13 5.13 0.00 3.17 3.56 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 13 V 8.00 3.43 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 1.01 0.00 0.00 0.90 0.00 0.00 14 A 8.76 4.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.21 3.97 0.00 2.12 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 2.44 2.50 0.00 16 L 8.14 4.03 0.00 1.80 1.77 1.10 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.31 4.44 0.00 3.07 2.89 0.00 0.00 7.04 6.32 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 18 N 7.78 4.77 0.00 2.83 2.86 0.00 0.00 6.89 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.96 4.68 0.00 1.79 1.64 0.91 0.54 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 20 L 7.43 4.23 0.00 1.65 1.63 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 21 G 9.01 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 0.00 0.00 0.00 22 R 7.97 4.55 0.00 1.85 1.87 0.00 3.31 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.73 0.00 23 E 8.59 4.68 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 24 V 8.93 4.78 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 0.68 0.00 0.00 0.95 0.00 0.00 25 Q 9.00 5.11 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 26 V 9.40 4.77 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 1.01 0.00 0.00 0.97 0.00 0.00 27 V 8.44 4.54 1.71 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 0.98 0.00 0.00 0.85 0.00 0.00 28 L 9.01 5.40 0.00 1.90 1.64 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 29 S 9.19 4.40 0.00 4.04 4.05 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 30 N 8.16 4.64 0.00 2.86 2.96 0.00 0.00 6.39 7.00 0.00 0.00 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 8.26 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 0.00 0.00 0.00 32 E 8.50 4.29 0.00 2.21 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 2.35 2.42 0.00 33 V 7.94 4.84 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 1.00 0.00 0.00 0.92 0.00 0.00 34 Y 9.11 5.04 0.00 2.97 2.91 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 35 K 8.90 4.98 0.00 1.76 1.63 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 36 G 8.42 4.40 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 0.00 37 V 7.99 4.36 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 0.89 0.00 0.00 0.95 0.00 0.00 38 L 8.96 4.35 0.00 1.82 1.70 1.00 1.14 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 39 H 9.01 4.65 0.00 3.10 3.34 0.00 6.04 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.55 4.61 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.33 4.97 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 0.91 0.00 0.00 0.96 0.00 0.00 42 D 8.48 5.02 0.00 2.86 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 43 N 8.66 4.22 0.00 2.68 2.87 0.00 0.00 6.88 7.69 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 44 Q 7.96 3.84 0.00 2.05 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.51 0.00 0.00 0.00 0.00 0.00 2.11 2.26 0.00 45 L 8.06 3.81 0.00 1.71 1.90 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.55 4.84 0.00 3.03 2.86 0.00 0.00 6.79 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.70 5.03 1.92 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 1.17 0.92 0.97 0.00 0.00 48 V 8.66 4.63 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 0.55 0.00 0.00 1.03 0.00 0.00 49 L 8.85 5.16 0.00 1.49 1.52 0.99 0.52 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 50 A 9.09 4.83 1.14 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 0.00 0.00 51 N 8.31 4.10 0.00 2.80 2.84 0.00 0.00 6.87 7.11 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 52 A 7.90 5.16 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 53 S 9.47 5.82 0.00 3.94 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 54 N 8.27 5.62 0.00 2.28 1.49 0.00 0.00 6.74 7.20 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 55 K 8.58 3.95 0.00 1.70 1.88 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.35 7.81 56 A 7.93 4.09 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 57 G 8.37 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 58 E 8.14 4.09 0.00 2.07 1.54 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 0.00 2.29 2.31 0.00 59 K 8.04 5.14 0.00 1.47 1.63 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.33 7.81 60 F 9.14 4.85 0.00 2.95 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 61 N 9.10 4.64 0.00 2.80 2.85 0.00 0.00 6.90 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 62 R 7.84 4.98 0.00 1.60 1.12 0.00 2.92 0.00 0.00 2.98 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.47 0.00 63 V 8.41 4.09 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 0.31 0.00 0.00 0.64 0.00 0.00 64 F 8.89 4.84 0.00 2.85 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 65 I 8.65 4.43 1.97 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 1.09 0.49 0.94 0.00 0.00 *67 Y 8.49 4.77 0.00 3.25 3.40 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 68 R 7.09 3.74 0.00 1.34 1.47 0.00 2.93 0.00 0.00 3.02 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.50 0.00 69 Y 7.78 4.29 0.00 3.10 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 70 I 7.64 4.33 2.11 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.59 1.01 0.00 0.00 71 V 8.93 4.03 2.21 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 0.87 0.00 0.00 0.97 0.00 0.00 72 H 7.83 4.98 0.00 3.19 3.36 0.00 5.45 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.28 5.02 1.74 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 1.37 0.98 0.89 0.00 0.00 74 D 9.23 5.15 0.00 2.51 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 75 S 8.73 4.52 0.00 3.98 3.85 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 76 T 8.42 4.48 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 1.19 0.00 0.00 77 E 7.87 4.65 0.00 2.10 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 2.21 2.29 0.00 78 R 8.24 4.18 0.00 1.95 1.98 0.00 3.04 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 79 R 8.15 4.22 0.00 1.82 1.88 0.00 3.60 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 80 I 7.97 3.62 1.40 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.21 0.34 0.00 0.00 81 D 8.38 4.48 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 *83 R 8.43 3.68 0.00 1.89 1.72 0.00 3.04 0.00 0.00 3.07 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.89 0.00 84 E 8.89 3.96 0.00 2.09 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 2.51 2.73 0.00 85 F 8.53 3.75 0.00 2.35 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 86 A 7.96 4.09 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 0.00 0.00 87 K 8.39 3.93 0.00 1.96 1.88 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.58 7.81 88 Q 8.33 4.10 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.82 0.00 89 A 8.15 4.07 1.17 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 0.00 0.00 90 E 8.33 3.94 0.00 2.23 2.23 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 2.33 2.41 0.00 91 K 7.56 4.08 0.00 1.91 1.83 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.69 7.81 92 I 7.10 3.91 1.52 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.19 -0.03 0.00 0.00 93 F 7.93 4.90 0.00 3.05 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 94 P 0.00 4.20 0.00 2.06 2.04 0.00 3.89 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 95 G 8.12 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 0.00 0.00 0.00 *97 V 7.44 4.09 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 0.96 0.00 0.00 1.08 0.00 0.00 98 K 9.51 4.63 0.00 1.66 1.69 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.36 7.81 99 Y 8.69 4.66 0.00 3.14 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 0.00 100 I 8.19 4.03 1.69 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 1.11 1.24 0.79 0.00 0.00 101 E 8.67 3.77 0.00 2.05 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 2.53 0.00 102 E 8.24 4.02 0.00 1.90 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 2.27 2.31 0.00 103 T 7.28 4.46 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 104 N 7.66 4.14 0.00 2.90 2.89 0.00 0.00 6.85 7.13 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 0.00 105 V 7.12 4.64 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 0.87 0.00 0.00 0.91 0.00 0.00 106 V 8.83 4.88 2.24 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 1.26 0.00 0.00 1.23 0.00 0.00 107 L 9.24 5.08 0.00 1.57 1.52 0.89 0.65 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 0.00 108 I 8.38 4.37 1.61 0.00 0.00 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 1.07 0.98 0.02 0.00 0.00 109 G 8.94 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 0.00 110 D 8.68 4.89 0.00 2.72 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 0.00 111 K 7.91 4.59 0.00 1.75 1.75 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.38 7.81 112 V 7.59 4.68 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 0.99 0.00 0.00 0.87 0.00 0.00 113 R 9.12 5.01 0.00 1.81 1.66 0.00 3.05 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 114 V 8.96 4.87 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 0.67 0.00 0.00 1.04 0.00 0.00 115 S 8.64 5.14 0.00 3.90 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 0.00 116 E 8.91 4.17 0.00 2.07 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 2.35 0.00 117 I 8.94 4.33 1.86 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 1.23 0.53 0.86 0.00 0.00 118 G 6.31 3.31 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 0.00 119 V 7.43 4.69 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 0.83 0.00 0.00 0.83 0.00 0.00 120 E 9.32 4.51 0.00 1.90 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 2.16 2.17 0.00 121 G 8.07 4.55 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 0.00 0.00 0.00 122 V 8.31 4.36 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 0.75 0.00 0.00 0.92 0.00 0.00 123 G 8.82 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.31 0.00 2.23 2.16 0.00 3.63 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 2.14 2.17 0.00 125 V 7.85 3.86 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 0.47 0.00 0.00 1.04 0.00 0.00 126 A 7.96 4.03 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 0.00 127 E 8.29 4.12 0.00 2.21 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 2.58 2.53 0.00 128 R 8.36 4.10 0.00 2.41 2.23 0.00 3.34 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 129 A 8.35 4.32 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.71 3.95 0.00 1.99 2.08 0.00 1.82 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.73 7.81 131 R 8.15 4.04 0.00 2.23 2.08 0.00 3.25 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 132 L 8.38 4.10 0.00 2.11 2.15 0.32 1.54 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 0.00 133 F 9.19 4.28 0.00 3.45 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 0.00 134 E 9.18 4.25 0.00 2.31 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 2.46 2.61 0.00 135 E 8.23 4.08 0.00 2.07 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 2.66 2.52 0.00 136 F 8.24 4.02 0.00 3.10 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 0.00 137 L 7.78 4.20 0.00 1.93 1.83 1.22 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 138 K 7.76 4.32 0.00 1.68 1.73 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.73 7.81 * Residues marked with a * may have inaccurate shift predictions.