NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.8395 8.3444 122.0020 56.1297 30.4110 173.7942 3 F 5.1667 9.6865 128.8868 56.1100 42.4734 170.4792 4 E 5.0286 8.1343 124.1622 54.7673 33.6911 174.0565 5 H 4.7588 8.9746 122.8609 54.3289 33.5615 171.3675 6 L 5.0587 8.4805 127.5408 53.5271 43.6072 175.1908 7 V 4.4525 9.1920 126.9182 61.0253 33.7596 174.3302 8 Q 4.0223 8.8676 129.8547 56.3217 29.0467 175.6760 9 V 3.8405 8.4159 127.6780 65.3828 31.9877 175.9066 10 N 4.9973 7.9641 117.5886 52.2118 41.1132 173.6706 11 D 4.6605 8.2354 120.4697 52.6402 44.1316 176.0791 12 R 4.6509 8.4623 117.6175 57.5346 30.7857 173.1826 13 T 4.2834 7.7726 123.5251 60.2765 73.1811 171.7147 *16 D 4.7678 8.8165 117.8100 54.5413 41.7219 174.7527 17 L 4.4828 7.5276 118.6778 53.0342 42.8003 175.1809 18 P 4.4918 0.0000 0.0000 62.1717 32.1667 176.5981 19 V 4.1495 8.0360 121.0155 62.1297 32.5126 174.9975 20 L 4.6873 8.5190 128.4077 53.4839 44.6906 177.4255 21 D 4.8066 8.3619 127.4433 54.0549 42.6410 175.3130 22 R 4.0900 8.2870 116.3978 60.9600 29.9793 178.1778 23 L 4.0960 7.9023 119.6396 58.0376 42.1474 178.8112 24 Q 3.9840 8.0352 117.9315 58.5935 28.7172 178.0111 25 L 3.8634 8.1247 121.5213 57.8430 42.1605 178.6469 26 W 4.4170 8.5560 130.9686 61.4087 30.5770 178.3605 27 E 3.6035 8.3766 118.4485 60.6262 29.0068 180.9214 28 G 3.1835 7.0678 106.0614 47.7334 0.0000 175.8118 29 L 3.7473 7.0844 121.1777 56.9860 41.5094 179.7806 30 V 3.0560 6.6717 118.1747 66.0477 31.3702 177.4912 31 C 4.2038 8.0628 118.7554 62.6961 31.0549 175.6815 32 R 2.9728 7.3523 119.2177 58.8671 29.6254 178.0507 33 A 4.2261 7.5344 120.9883 54.4505 18.5005 179.1931 34 R 4.3777 8.2815 114.7767 56.8443 32.1677 176.7115 35 E 4.8091 8.4129 118.2130 54.3725 30.2643 174.9079 36 P 4.4974 0.0000 0.0000 64.9028 32.0390 178.9907 37 Q 3.9078 7.4201 116.4308 58.6387 28.4391 176.6442 38 Y 4.4688 7.5184 114.7786 58.6853 38.2634 175.8131 39 F 4.6796 8.3310 116.0832 56.4022 41.2009 175.0235 40 V 4.1814 7.5432 120.6744 60.3387 31.4668 174.3222 41 V 3.7376 8.2133 127.2767 64.3149 31.6860 175.0906 42 G 4.1419 9.2585 115.4920 45.7332 0.0000 173.8372 43 L 4.1722 7.2891 120.3429 55.9961 42.5091 176.1035 44 E 4.6939 9.2488 124.6356 57.8652 31.6623 175.7104 45 R 4.7893 7.8812 113.7205 56.1381 32.5270 173.3481 46 F 5.5393 8.6057 114.9793 56.6238 40.6480 173.9456 47 E 4.5946 9.3675 118.2760 54.9344 33.5773 176.0651 48 I 4.1889 8.1242 122.4526 60.0989 37.2259 175.6330 49 L 4.2291 8.6838 128.6045 57.0207 42.3065 178.3319 50 V 4.4262 7.7451 117.5688 61.0700 35.1300 174.1181 51 D 4.9476 8.8326 126.1473 52.9450 41.9168 173.8221 52 D 4.7016 9.1682 125.6185 53.7835 40.5412 177.5943 53 G 4.0769 8.1984 115.2232 44.6544 0.0000 173.8042 54 D 4.7756 8.0049 116.5346 52.8688 41.7679 176.1346 55 R 4.8583 7.7287 120.4731 55.2273 33.3396 173.3375 56 L 5.2858 9.2757 126.6633 53.1170 45.7542 174.9624 57 H 5.4166 9.1627 122.4936 54.5706 32.3762 172.9124 58 R 5.2045 9.1860 124.3727 54.3499 34.3484 174.2684 59 R 5.0274 8.6029 121.4623 54.5723 32.9250 174.4179 60 L 4.9785 9.2176 126.4623 53.3551 44.4710 175.1176 61 Y 4.7290 9.2441 123.0813 56.7521 38.9268 175.1400 62 L 5.0670 8.7071 125.2076 51.7967 44.8763 174.6875 63 P 4.7199 0.0000 0.0000 64.2535 31.4489 176.2312 64 G 4.0215 8.8861 110.0907 45.5837 0.0000 172.6591 65 L 4.2704 7.9581 119.0246 53.8165 45.4561 173.6982 66 V 4.6133 8.3636 119.6249 59.6006 33.5785 175.2812 67 V 4.3983 8.6428 127.4779 61.6582 34.2278 174.4395 68 E 5.7678 9.0585 125.4449 54.3653 31.9776 171.6390 69 D 5.0500 8.4455 122.0097 51.3587 43.9201 173.1665 70 E 5.2478 8.9951 118.8815 54.3974 33.0797 174.6217 71 V 4.5333 8.8559 125.1676 61.0010 35.1016 173.9962 72 V 4.7762 8.6284 127.8177 61.0981 33.8465 173.9008 73 L 5.1414 9.1523 128.6694 53.0888 43.8144 176.4307 74 K 4.4606 9.3277 123.6971 54.1478 33.9982 175.3708 75 A 2.5800 8.3460 128.1825 50.8267 19.4831 176.2396 76 P 2.9700 0.0000 0.0000 61.7126 31.2157 174.7188 77 D 4.7721 7.3955 119.2714 56.1987 44.7948 177.8326 78 S 4.9709 7.2853 109.3485 57.5364 66.2164 174.1843 79 A 5.1537 8.4174 121.8006 50.4613 22.2374 174.2089 80 H 5.0475 9.1129 122.7836 54.6646 32.5753 172.0808 81 Y 5.0435 9.3813 124.5343 56.4193 40.3499 175.1219 82 S 5.0495 9.1443 117.3388 56.9739 67.2693 172.7810 83 I 4.9044 8.9860 125.3689 59.9602 40.0363 175.6770 84 K 4.5972 8.7547 131.0412 54.3258 32.2942 172.0198 85 P 4.7245 0.0000 0.0000 62.1529 32.4253 176.2773 86 S 4.6768 8.1946 115.1904 57.1659 65.4525 172.9920 87 A 4.0908 9.0877 123.8930 56.4738 18.3383 179.5093 88 E 4.2583 8.3473 112.0689 58.1728 30.8479 179.3177 89 V 4.3330 7.4746 116.1697 58.8354 33.3676 176.8613 90 A 4.6107 8.4188 126.5694 50.9135 19.8012 177.8311 91 G 4.0312 8.9708 110.4008 44.9408 0.0000 172.9166 92 G 4.4566 7.3455 107.5595 45.8272 0.0000 171.0219 93 S 5.1851 8.3529 112.7392 56.8998 66.8823 172.9762 94 L 4.8996 9.0268 123.0210 53.7053 45.1360 175.3065 95 D 5.5639 8.4021 126.2282 52.0569 44.7642 174.4793 *97 T 4.4560 8.2224 114.0195 64.1151 70.1024 173.6730 98 I 4.3793 8.8411 127.9452 61.1828 38.0802 175.3292 99 E 4.7088 9.6013 126.1140 54.6819 32.9213 175.0820 100 E 5.4849 8.3718 122.7008 52.9558 29.6320 173.6687 101 P 4.2338 0.0000 0.0000 65.0722 32.2461 176.7696 102 E 4.7813 7.4995 112.3072 53.9928 33.9164 178.5869 103 P 4.7793 0.0000 0.0000 64.5197 31.5186 175.9828 104 G 4.0091 9.0258 111.4876 45.2945 0.0000 173.3876 105 S 4.3527 7.9502 115.3526 57.2080 61.6187 172.2663 106 L 5.2344 7.8367 124.3948 52.6060 44.7122 175.0753 107 F 5.2545 9.4305 120.1306 55.8910 44.2369 173.6303 108 V 4.7223 8.9032 120.4940 61.2011 34.2227 174.1504 109 R 4.8279 8.7430 129.1283 55.3087 31.2803 175.1884 110 F 4.8954 9.5843 125.7170 55.7771 41.2771 174.4771 111 A 5.1650 8.8235 126.0474 50.3302 21.4632 174.3730 112 Y 5.1205 9.4937 120.6739 56.6819 41.2840 174.6587 113 C 5.3783 9.2699 121.7269 58.6484 35.9928 172.6048 114 T 5.2081 8.6992 120.8140 62.5636 71.7797 174.2309 115 R 4.8377 8.8112 127.7455 55.8725 33.6101 172.1577 *116 Y 4.9264 8.4233 123.5633 55.8493 39.8610 176.5760 117 L 4.0486 8.8228 121.7243 58.7603 41.1491 179.7456 118 Q 4.5529 7.8009 116.2442 53.3431 29.8194 175.3950 119 P 4.8018 0.0000 0.0000 63.5615 32.2771 175.1244 *122 D 4.3386 8.4827 116.4577 53.2581 41.0614 171.1284 123 E 4.5197 8.6245 125.2714 53.8567 30.9552 175.0052 124 L 4.7309 8.1614 124.6063 52.1560 44.3245 174.6094 125 P 4.5417 0.0000 0.0000 61.8943 32.5281 175.7208 126 Y 4.2262 8.1926 117.9592 58.2246 38.6211 175.8872 127 D 4.7829 8.3533 121.9472 52.1431 42.9610 177.2923 128 A 3.8375 8.0638 120.4706 54.6118 18.1964 179.7154 129 F 4.0264 7.6032 116.3728 60.7311 38.9698 177.8153 130 V 3.1586 8.2147 117.8210 65.7866 31.3428 178.2179 131 K 2.9088 7.5841 118.1949 58.9200 31.6266 179.0757 132 Q 3.7869 8.2713 119.8430 59.2385 28.8148 178.2496 133 A 3.8974 7.7704 120.4584 55.2108 18.3319 179.1095 134 Y 4.3696 7.4434 114.5553 61.3413 38.2766 177.8836 135 I 3.8257 7.7981 120.5113 64.4999 37.1557 178.7241 136 A 3.7361 7.8857 117.9021 53.4621 18.3261 178.6491 *138 D 3.6747 8.0174 121.8060 55.4178 42.9427 178.3537 139 V 3.5685 7.7919 118.0841 66.1754 31.4701 177.8157 140 E 3.9977 8.3705 118.4628 59.7843 29.2801 179.5674 141 T 4.2035 7.9569 115.0899 67.0408 68.5908 176.6198 142 I 3.9278 7.9860 121.2960 64.1963 37.0753 178.3296 143 A 4.0585 8.4724 122.1241 55.5082 18.1197 179.8638 144 T 3.8214 8.4459 114.5865 66.7909 68.4794 177.0217 145 I 4.1962 8.2174 121.7829 64.6530 36.9897 178.4874 146 R 3.9655 8.3627 118.5715 59.0342 29.8677 177.2395 147 D 4.5548 7.6512 116.1398 56.0278 41.6620 178.0032 148 R 3.8472 8.1504 118.1237 57.3958 30.1989 176.4576 149 F 4.4590 8.2199 121.4672 57.5275 39.6174 174.6853 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 Q 8.34 4.84 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.63 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 3 F 9.69 5.17 0.00 3.36 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 4 E 8.13 5.03 0.00 1.71 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.49 0.00 5 H 8.97 4.76 0.00 3.05 3.25 0.00 5.75 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 6 L 8.48 5.06 0.00 1.59 1.48 0.86 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 7 V 9.19 4.45 2.41 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 1.07 0.00 0.00 1.00 0.00 0.00 8 Q 8.87 4.02 0.00 2.34 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.85 0.00 0.00 0.00 0.00 0.00 2.16 1.71 0.00 9 V 8.42 3.84 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 0.78 0.00 0.00 0.94 0.00 0.00 10 N 7.96 5.00 0.00 2.62 2.63 0.00 0.00 6.52 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.24 4.66 0.00 2.63 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 12 R 8.46 4.65 0.00 1.82 1.76 0.00 3.25 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.17 0.00 13 T 7.77 4.28 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *16 D 8.82 4.77 0.00 2.72 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 17 L 7.53 4.48 0.00 1.89 1.62 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.49 0.00 2.06 1.98 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.06 0.00 19 V 8.04 4.15 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 0.76 0.00 0.00 0.93 0.00 0.00 20 L 8.52 4.69 0.00 1.75 1.48 1.02 1.29 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 21 D 8.36 4.81 0.00 2.72 2.54 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 0.00 0.00 0.00 22 R 8.29 4.09 0.00 1.87 1.95 0.00 3.35 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 23 L 7.90 4.10 0.00 1.89 1.70 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.04 3.98 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.68 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 25 L 8.12 3.86 0.00 1.84 1.92 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 26 W 8.56 4.42 0.00 3.39 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 27 E 8.38 3.60 0.00 2.00 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 2.24 2.20 0.00 28 G 7.07 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 0.00 0.00 0.00 29 L 7.08 3.75 0.00 1.39 1.28 0.81 1.35 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 30 V 6.67 3.06 1.67 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 0.81 0.00 0.00 -0.03 0.00 0.00 31 C 8.06 4.20 0.00 3.31 3.34 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 32 R 7.35 2.97 0.00 0.67 1.77 0.00 2.66 0.00 0.00 2.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.45 0.00 33 A 7.53 4.23 1.21 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 34 R 8.28 4.38 0.00 1.79 2.08 0.00 3.10 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 35 E 8.41 4.81 0.00 2.44 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 2.40 2.40 0.00 36 P 0.00 4.50 0.00 1.98 2.15 0.00 2.72 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.36 0.00 37 Q 7.42 3.91 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.99 0.00 0.00 0.00 0.00 0.00 1.33 1.93 0.00 38 Y 7.52 4.47 0.00 2.69 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 0.00 0.00 0.00 0.00 39 F 8.33 4.68 0.00 3.01 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.54 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 1.02 0.00 0.00 0.96 0.00 0.00 41 V 8.21 3.74 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 0.84 0.00 0.00 0.95 0.00 0.00 42 G 9.26 4.14 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 0.00 43 L 7.29 4.17 0.00 1.71 1.64 0.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 44 E 9.25 4.69 0.00 2.01 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 2.28 2.46 0.00 45 R 7.88 4.79 0.00 1.88 1.98 0.00 3.10 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.13 0.00 46 F 8.61 5.54 0.00 3.28 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 47 E 9.37 4.59 0.00 1.64 1.81 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 2.13 2.12 0.00 48 I 8.12 4.19 1.91 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 1.57 1.18 1.00 0.00 0.00 49 L 8.68 4.23 0.00 1.70 1.76 0.84 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.75 4.43 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 1.11 0.00 0.00 0.97 0.00 0.00 51 D 8.83 4.95 0.00 2.65 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 52 D 9.17 4.70 0.00 2.84 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.20 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 0.00 0.00 0.00 0.00 54 D 8.00 4.78 0.00 3.07 2.94 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 55 R 7.73 4.86 0.00 1.94 1.77 0.00 3.23 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.22 0.00 56 L 9.28 5.29 0.00 1.53 1.51 0.91 0.76 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 57 H 9.16 5.42 0.00 3.21 3.16 0.00 5.72 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 9.19 5.20 0.00 1.78 2.03 0.00 3.21 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 59 R 8.60 5.03 0.00 1.89 1.72 0.00 2.50 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 60 L 9.22 4.98 0.00 1.56 1.58 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 9.24 4.73 0.00 3.16 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.71 5.07 0.00 1.86 1.60 0.92 1.02 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 63 P 0.00 4.72 0.00 2.19 2.10 0.00 3.95 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 64 G 8.89 4.02 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 0.00 0.00 0.00 65 L 7.96 4.27 0.00 1.71 1.49 0.92 0.77 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 66 V 8.36 4.61 1.53 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 0.68 0.00 0.00 0.81 0.00 0.00 67 V 8.64 4.40 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 0.95 0.00 0.00 0.93 0.00 0.00 68 E 9.06 5.77 0.00 1.77 1.69 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 2.14 1.69 0.00 69 D 8.45 5.05 0.00 2.97 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 9.00 5.25 0.00 2.17 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 2.18 2.08 0.00 71 V 8.86 4.53 1.86 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 -0.03 0.00 0.00 0.67 0.00 0.00 72 V 8.63 4.78 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 0.99 0.00 0.00 0.93 0.00 0.00 73 L 9.15 5.14 0.00 1.63 1.89 0.89 0.68 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 74 K 9.33 4.46 0.00 1.54 1.61 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.33 7.81 75 A 8.35 2.58 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 76 P 0.00 2.97 0.00 1.72 1.49 0.00 3.38 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 77 D 7.40 4.77 0.00 2.32 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 78 S 7.29 4.97 0.00 3.83 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 79 A 8.42 5.15 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 80 H 9.11 5.05 0.00 3.21 3.13 0.00 5.76 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 9.38 5.04 0.00 2.85 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 9.14 5.05 0.00 3.85 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 83 I 8.99 4.90 1.93 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 1.30 0.76 0.95 0.00 0.00 84 K 8.75 4.60 0.00 1.54 1.60 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.01 7.81 85 P 0.00 4.72 0.00 2.09 2.21 0.00 3.70 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 2.00 1.99 0.00 86 S 8.19 4.68 0.00 3.98 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 9.09 4.09 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.35 4.26 0.00 2.00 1.86 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 2.18 1.86 0.00 89 V 7.47 4.33 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 0.72 0.00 0.00 0.93 0.00 0.00 90 A 8.42 4.61 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 91 G 8.97 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 92 G 7.35 4.46 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 0.00 93 S 8.35 5.19 0.00 3.92 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 94 L 9.03 4.90 0.00 1.35 1.35 -0.14 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.40 5.56 0.00 2.63 2.53 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 0.00 *97 T 8.22 4.46 4.17 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 1.16 0.00 0.00 98 I 8.84 4.38 1.96 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.52 0.92 0.00 0.00 99 E 9.60 4.71 0.00 1.88 1.86 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 2.19 2.20 0.00 100 E 8.37 5.48 0.00 2.00 1.76 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 2.28 2.26 0.00 101 P 0.00 4.23 0.00 2.19 2.15 0.00 4.26 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.13 0.00 102 E 7.50 4.78 0.00 1.79 1.73 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 2.06 2.02 0.00 103 P 0.00 4.78 0.00 2.17 2.10 0.00 3.35 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 1.99 1.93 0.00 104 G 9.03 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 0.00 0.00 0.00 105 S 7.95 4.35 0.00 3.92 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 0.00 106 L 7.84 5.23 0.00 1.53 1.49 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 107 F 9.43 5.25 0.00 2.91 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.90 4.72 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 0.41 0.00 0.00 0.92 0.00 0.00 109 R 8.74 4.83 0.00 1.82 1.75 0.00 3.24 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 110 F 9.58 4.90 0.00 3.04 2.75 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 0.00 0.00 0.00 0.00 111 A 8.82 5.16 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 0.00 112 Y 9.49 5.12 0.00 3.06 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 0.00 113 C 9.27 5.38 0.00 3.09 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.70 5.21 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 115 R 8.81 4.84 0.00 1.42 1.73 0.00 3.22 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.41 0.00 *116 Y 8.42 4.93 0.00 2.06 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 0.00 0.00 0.00 117 L 8.82 4.05 0.00 1.66 1.62 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 118 Q 7.80 4.55 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.70 0.00 0.00 0.00 0.00 0.00 2.25 1.91 0.00 119 P 0.00 4.80 0.00 2.15 2.01 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.93 0.00 *122 D 8.48 4.34 0.00 2.75 2.56 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 0.00 123 E 8.62 4.52 0.00 1.91 1.86 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 2.23 2.31 0.00 124 L 8.16 4.73 0.00 1.54 1.46 0.89 1.02 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 0.00 125 P 0.00 4.54 0.00 2.19 2.06 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 126 Y 8.19 4.23 0.00 2.93 2.75 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 0.00 0.00 0.00 0.00 127 D 8.35 4.78 0.00 2.95 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 0.00 128 A 8.06 3.84 1.07 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 0.00 129 F 7.60 4.03 0.00 3.22 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.21 3.16 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 0.03 0.00 0.00 0.84 0.00 0.00 131 K 7.58 2.91 0.00 1.43 1.05 0.00 1.55 0.00 0.00 1.40 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.30 1.21 7.81 132 Q 8.27 3.79 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 133 A 7.77 3.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 Y 7.44 4.37 0.00 2.70 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 0.00 135 I 7.80 3.83 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.75 0.85 0.00 0.00 136 A 7.89 3.74 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 *138 D 8.02 3.67 0.00 2.28 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 0.00 0.00 0.00 139 V 7.79 3.57 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 1.16 0.00 0.00 1.01 0.00 0.00 140 E 8.37 4.00 0.00 2.18 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 2.36 2.39 0.00 141 T 7.96 4.20 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 142 I 7.99 3.93 1.99 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.21 1.00 0.00 0.00 143 A 8.47 4.06 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 0.00 144 T 8.45 3.82 4.54 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 0.00 0.00 0.74 0.00 0.00 145 I 8.22 4.20 2.17 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.11 0.97 0.00 0.00 146 R 8.36 3.97 0.00 1.93 2.18 0.00 3.27 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 147 D 7.65 4.55 0.00 2.68 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 0.00 148 R 8.15 3.85 0.00 1.19 0.83 0.00 2.51 0.00 0.00 2.88 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.34 0.00 149 F 8.22 4.46 0.00 3.00 2.88 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 * Residues marked with a * may have inaccurate shift predictions.