NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8378 8.1676 115.8853 57.2135 40.1932 176.9872 11 H 3.4616 5.7646 117.5404 56.5078 28.6554 174.0462 12 E 3.9922 8.2833 121.7139 59.0453 30.5334 179.0844 13 M 4.6309 7.4412 115.1172 55.6042 31.6032 177.3184 14 R 4.4685 7.6466 117.3251 55.5805 32.4668 175.3765 15 E 3.8882 8.0149 116.6230 55.4555 29.3585 174.8517 16 P 4.3108 0.0000 0.0000 63.0101 32.1320 175.0899 17 R 4.4766 7.6175 114.5956 55.5455 33.0973 174.2468 18 I 4.1289 8.5303 121.4034 61.5188 36.9190 175.6457 19 E 4.3369 8.9881 129.7889 58.4875 30.1756 176.6883 20 K 4.7698 7.6312 116.0705 55.8458 36.1983 174.8513 21 V 4.6832 9.1671 122.2347 61.2669 34.2359 174.2141 22 V 5.0296 8.1113 128.5677 61.4491 32.9848 175.2478 23 V 4.9530 8.4187 119.8642 58.7770 35.1016 174.0300 24 H 5.3263 8.6141 119.9309 52.9570 32.3773 172.4488 25 M 4.3147 8.3596 118.2134 53.0667 34.1273 174.1342 26 G 3.4334 8.2125 110.5311 46.8873 0.0000 169.8910 27 I 4.0266 10.0416 128.9912 58.8329 38.1794 174.8737 28 G 3.2749 7.9553 117.0416 45.1335 0.0000 172.5155 29 H 4.7988 7.5022 115.8531 55.5651 30.6948 175.0038 *35 A 4.4153 7.1284 125.1674 52.2138 19.0457 180.6173 36 N 4.1308 9.1982 114.7567 58.0255 36.5780 175.9291 37 A 4.1762 7.9789 120.1448 53.3455 19.2400 178.5912 38 E 3.9600 8.5717 117.1620 59.7431 29.3913 178.8674 39 D 4.4356 8.2641 118.2295 57.7353 40.8771 179.0630 40 I 3.7204 7.4764 112.5811 64.1190 37.2662 178.3183 41 L 4.0566 7.9193 120.1782 57.5869 41.2200 179.4717 42 G 4.0860 8.1673 104.9619 46.9931 0.0000 175.0530 43 E 4.0309 7.6963 120.1534 59.2883 29.9074 178.5294 44 I 3.9218 7.7044 118.1236 63.8717 38.1270 177.9511 45 T 4.1520 8.2737 110.6267 65.0902 69.1132 176.0296 46 G 4.1916 7.9778 108.6527 44.4545 0.0000 172.7509 47 Q 4.4390 7.8048 116.4759 55.1809 31.3829 173.0043 48 M 4.3259 8.3846 117.2799 54.3122 32.9266 174.4556 49 P 4.9015 0.0000 0.0000 62.0664 34.0139 174.9736 50 V 4.5561 8.3349 111.4559 59.5003 36.0458 175.6810 51 R 4.5413 8.6359 122.9846 56.5077 31.3514 176.3114 52 T 4.4406 8.1208 115.5068 61.8712 71.8719 172.7795 53 K 5.0096 8.9441 135.0000 55.7798 34.1223 175.8469 54 A 4.3673 7.4461 127.4474 52.8972 22.7781 175.6316 55 K 4.5779 8.1350 117.0766 55.6332 36.4518 173.1035 56 R 3.9288 8.7785 128.2059 55.5467 30.3042 176.7677 57 T 3.9476 8.4347 118.8002 63.5785 69.3798 173.7962 58 V 4.3895 8.2102 125.0289 60.7009 33.7760 176.6475 59 G 3.7953 8.8417 115.7589 47.4032 0.0000 173.4602 60 E 4.3342 7.9119 120.1806 57.2547 29.1751 177.2160 61 F 3.7215 8.0060 118.5242 59.7248 38.5463 174.9378 62 D 4.6223 7.9945 124.4331 52.7747 41.9745 176.5197 63 I 3.5561 7.2721 114.8589 63.5728 38.4712 176.3488 64 R 3.7289 7.5934 121.4421 55.8469 29.4954 174.9432 65 E 3.6406 8.2429 127.7193 59.2554 30.0393 176.2484 66 G 4.2039 7.7370 118.6674 45.8474 0.0000 171.4571 67 D 4.8025 8.3207 124.9896 50.6848 42.9575 172.5672 68 P 4.3794 0.0000 0.0000 63.8557 31.4641 175.4717 69 I 4.3137 9.3573 126.0123 62.2657 39.2994 175.3994 70 G 4.3939 7.4508 104.5790 46.2661 0.0000 170.9694 71 A 5.6771 8.2511 116.6296 51.8590 23.2197 176.6601 72 K 5.0946 8.6056 121.2244 54.3964 36.7535 175.2029 73 V 4.5936 7.8724 119.1770 61.6689 34.8411 173.5012 74 T 4.6335 8.5823 118.9614 60.3629 69.5056 173.7409 75 L 4.4793 8.7158 128.8659 53.7054 42.9540 176.3826 76 R 4.9303 8.2997 122.1214 53.8957 33.6162 178.3654 77 D 4.3251 8.8680 121.0999 56.0495 39.8338 176.2188 78 E 3.9975 9.0559 127.1155 60.9638 29.4209 177.8221 79 M 3.9468 8.3007 117.9526 58.6428 31.8161 178.8042 80 A 4.1636 7.9301 120.0347 55.1613 18.8536 179.3182 81 E 3.9968 7.8996 116.3212 59.8605 29.4123 179.5140 82 E 4.0623 8.2588 117.1621 59.4070 29.6704 178.9777 83 F 4.3649 7.9401 119.6109 61.0933 39.4968 177.3595 84 L 3.9871 8.3762 118.6406 57.3889 41.1705 179.2194 85 Q 4.0382 8.0094 117.9776 58.4200 28.9374 177.9987 86 T 4.2351 7.5176 109.1815 63.3889 69.7884 176.5764 87 A 3.8547 7.4587 122.7261 54.6372 18.3683 179.2708 88 L 3.9991 7.7469 116.2109 57.6713 42.1571 177.6423 89 P 4.3859 0.0000 0.0000 65.4341 31.0235 178.1101 90 L 4.1723 7.2127 112.5418 55.5599 41.3456 176.6517 91 A 4.5876 7.6217 121.3708 50.5145 22.1366 176.0509 92 E 4.2441 8.6487 122.3601 55.2880 29.8832 176.8138 93 L 4.1574 8.2429 123.9800 54.3724 42.7368 175.9062 94 A 4.8577 8.0381 122.5771 50.5179 22.6159 177.5550 95 T 4.0324 8.4648 115.5141 66.9818 68.6362 177.6075 96 S 4.3286 8.0528 114.0983 60.7177 63.3359 174.9010 97 Q 4.2987 7.9458 118.8948 56.5247 28.3449 174.9831 98 F 4.9554 7.7712 117.5794 55.5251 41.3185 175.2722 99 D 4.7469 9.3967 125.3699 53.6430 41.8357 176.9222 100 D 4.5094 8.6627 122.2620 57.0559 40.9757 177.5002 101 T 4.4899 7.9675 114.4710 62.9507 67.7001 174.8999 102 G 4.0137 8.1366 107.6130 46.8340 0.0000 173.5602 103 N 5.7729 7.8284 114.6135 51.4923 43.9020 175.3628 104 F 5.3217 8.7426 115.6435 54.4561 41.6460 173.2099 105 S 5.2265 8.7844 115.6388 56.4938 64.8614 172.9838 106 F 4.8391 8.7114 120.7413 56.1158 40.8827 172.2469 107 G 4.2578 9.0923 106.6772 43.7433 0.0000 172.6530 *128 L 4.1020 8.2416 124.4310 55.0464 43.0718 176.3728 129 D 4.9841 8.4833 123.6150 52.4987 45.4308 175.0550 130 V 4.3612 7.7261 119.8217 61.5698 35.0284 174.0702 131 T 4.8182 8.6857 124.5872 61.5519 71.6383 173.0472 132 V 4.5573 7.9173 125.8388 61.0185 34.2077 173.6864 133 N 5.0115 8.9740 127.2192 52.2738 40.0728 173.4259 134 L 5.2814 7.6789 126.2292 53.5770 44.0669 176.3902 135 V 4.1194 7.5915 118.5650 61.0034 34.6417 172.0019 136 R 4.0017 8.8029 120.8992 56.6666 30.9680 178.1162 137 P 3.7042 0.0000 0.0000 64.9081 32.9656 177.0115 138 G 3.9558 7.5738 106.4797 44.8479 0.0000 173.8173 139 Y 4.4424 7.6124 118.3266 58.9414 39.6915 175.8223 140 R 3.8537 7.9437 118.9318 59.5837 30.1847 178.0066 141 V 3.5486 7.4361 117.8369 65.2788 31.2609 176.7641 142 A 4.8067 7.2307 118.8693 51.2151 19.4911 177.2546 143 K 4.1605 7.3527 115.1574 56.1344 33.7579 176.6390 144 R 4.2520 7.5135 115.2784 55.8626 30.8008 175.5955 145 D 4.6158 8.4417 115.8343 56.1966 41.8355 177.7821 146 K 3.8529 8.1133 117.0800 58.1219 32.8629 177.6523 147 A 3.7233 8.4233 127.2507 52.6544 15.9475 176.0534 148 S 4.5667 7.5566 117.9592 59.2534 64.6376 174.5480 149 R 4.6590 8.6571 119.3003 55.0723 33.6929 173.7891 150 S 4.6328 8.5299 119.0452 57.4731 63.5802 173.8327 151 I 3.8982 8.3077 127.2880 60.5038 37.5377 174.5152 152 P 4.4521 0.0000 0.0000 62.4948 31.9676 177.3422 153 T 3.9096 8.6745 111.9487 65.1531 67.9947 176.7783 154 K 4.0022 7.9203 119.9727 59.5285 32.3758 177.9798 155 H 4.4469 7.7909 115.2133 56.0381 30.2018 175.2606 156 R 4.1105 7.0853 120.4183 56.1184 30.5004 176.3601 157 L 4.0254 8.3978 124.6379 55.3361 42.8972 176.1891 158 N 5.0363 8.2472 120.9401 50.6786 42.1905 174.2703 159 P 4.1738 0.0000 0.0000 65.7771 31.6626 178.8669 160 A 3.7708 7.7870 118.7026 55.3270 18.4230 179.1021 161 D 4.2872 8.0104 115.3287 56.7587 41.2435 178.2073 162 A 4.0639 8.0066 122.0652 55.0081 18.5908 179.3402 163 V 3.0148 7.3238 116.7788 66.1105 31.5032 177.8887 164 A 3.9003 7.6608 119.8432 55.1652 17.9575 179.2898 165 F 4.0479 7.5453 116.2797 61.5599 39.7739 177.1891 166 I 3.6086 7.8237 119.3020 64.3400 36.7594 178.0787 167 E 4.4127 8.3241 120.3139 58.3434 29.3036 177.7651 168 S 4.5159 7.2819 111.2696 57.8457 63.7590 175.0882 169 T 4.0918 7.3136 116.4685 62.8026 70.3030 173.0948 170 Y 3.7285 7.4392 124.4462 58.0643 35.5872 168.3992 171 D 4.4952 6.9957 117.3669 53.7233 43.2918 175.6291 172 V 4.6100 8.0796 119.4196 63.1394 32.2577 173.7110 173 E 4.6391 8.1482 118.4693 54.9832 30.6622 175.3954 174 V 3.7389 8.7665 117.6291 63.0585 31.4504 174.9341 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 10 F 8.17 4.84 0.00 3.34 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 H 5.76 3.46 0.00 3.02 2.53 0.00 5.45 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 12 E 8.28 3.99 0.00 1.75 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 2.32 2.23 0.00 13 M 7.44 4.63 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.64 0.00 14 R 7.65 4.47 0.00 1.79 1.85 0.00 3.24 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 15 E 8.01 3.89 0.00 2.20 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 0.00 2.45 2.27 0.00 16 P 0.00 4.31 0.00 0.69 1.54 0.00 3.54 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 1.77 1.88 0.00 17 R 7.62 4.48 0.00 1.81 1.95 0.00 2.78 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 18 I 8.53 4.13 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.81 1.00 0.00 0.00 19 E 8.99 4.34 0.00 1.93 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 0.00 2.37 2.30 0.00 20 K 7.63 4.77 0.00 1.82 1.85 0.00 1.50 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.41 7.81 21 V 9.17 4.68 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.99 0.00 0.00 22 V 8.11 5.03 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 1.02 0.00 0.00 0.87 0.00 0.00 23 V 8.42 4.95 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 0.73 0.00 0.00 0.66 0.00 0.00 24 H 8.61 5.33 0.00 3.16 3.27 0.00 5.56 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.36 4.31 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 26 G 8.21 3.43 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 0.00 27 I 10.04 4.03 2.03 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 1.22 0.84 0.94 0.00 0.00 28 G 7.96 3.27 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 0.00 29 H 7.50 4.80 0.00 3.22 3.40 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 A 7.13 4.42 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 36 N 9.20 4.13 0.00 2.84 3.01 0.00 0.00 5.84 7.26 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 37 A 7.98 4.18 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 38 E 8.57 3.96 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 2.33 2.63 0.00 39 D 8.26 4.44 0.00 2.68 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 40 I 7.48 3.72 1.89 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 1.83 0.64 0.92 0.00 0.00 41 L 7.92 4.06 0.00 1.87 1.70 0.95 0.92 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 42 G 8.17 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 0.00 0.00 0.00 43 E 7.70 4.03 0.00 2.12 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 2.33 2.52 0.00 44 I 7.70 3.92 1.96 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 1.84 0.85 1.15 0.00 0.00 45 T 8.27 4.15 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 0.93 0.00 0.00 46 G 7.98 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 0.00 0.00 0.00 47 Q 7.80 4.44 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.86 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 48 M 8.38 4.33 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 49 P 0.00 4.90 0.00 2.04 2.04 0.00 3.72 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 1.92 1.97 0.00 50 V 8.33 4.56 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 0.66 0.00 0.00 0.97 0.00 0.00 51 R 8.64 4.54 0.00 1.68 1.89 0.00 3.36 0.00 0.00 3.88 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.47 0.00 52 T 8.12 4.44 4.37 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 1.20 0.00 0.00 53 K 8.94 5.01 0.00 1.62 1.58 0.00 1.84 0.00 0.00 0.61 0.00 0.00 2.73 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.27 7.81 54 A 7.45 4.37 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 55 K 8.14 4.58 0.00 1.57 1.64 0.00 1.86 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.43 7.81 56 R 8.78 3.93 0.00 1.95 1.95 0.00 3.20 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 57 T 8.43 3.95 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 1.18 0.00 0.00 58 V 8.21 4.39 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 0.98 0.00 0.00 0.94 0.00 0.00 59 G 8.84 3.80 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 0.00 0.00 0.00 60 E 7.91 4.33 0.00 2.13 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 2.23 2.31 0.00 61 F 8.01 3.72 0.00 3.05 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 62 D 7.99 4.62 0.00 2.84 2.44 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 63 I 7.27 3.56 1.77 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.49 0.80 0.00 0.00 64 R 7.59 3.73 0.00 1.67 2.10 0.00 3.21 0.00 0.00 3.11 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 65 E 8.24 3.64 0.00 2.00 1.77 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 2.46 2.30 0.00 66 G 7.74 4.20 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 0.00 67 D 8.32 4.80 0.00 2.67 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 68 P 0.00 4.38 0.00 1.96 2.10 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 69 I 9.36 4.31 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.91 0.93 0.00 0.00 70 G 7.45 4.39 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 0.00 0.00 0.00 71 A 8.25 5.68 1.24 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 0.00 0.00 72 K 8.61 5.09 0.00 1.77 1.90 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.20 7.81 73 V 7.87 4.59 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 0.90 0.00 0.00 0.86 0.00 0.00 74 T 8.58 4.63 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 1.17 0.00 0.00 75 L 8.72 4.48 0.00 1.58 1.65 0.35 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.30 4.93 0.00 1.65 1.81 0.00 3.35 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 77 D 8.87 4.33 0.00 2.89 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 0.00 0.00 0.00 78 E 9.06 4.00 0.00 2.04 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 2.43 2.43 0.00 79 M 8.30 3.95 0.00 2.02 2.29 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.61 0.00 80 A 7.93 4.16 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 81 E 7.90 4.00 0.00 2.23 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 0.00 2.43 2.64 0.00 82 E 8.26 4.06 0.00 2.01 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 0.00 2.39 2.47 0.00 83 F 7.94 4.36 0.00 3.32 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.38 3.99 0.00 1.99 1.80 1.10 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.01 4.04 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 86 T 7.52 4.24 4.12 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 1.15 0.00 0.00 87 A 7.46 3.85 0.71 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 0.00 0.00 88 L 7.75 4.00 0.00 1.74 1.73 1.02 1.06 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 89 P 0.00 4.39 0.00 2.11 2.07 0.00 3.71 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 2.21 2.16 0.00 90 L 7.21 4.17 0.00 1.93 1.73 0.91 0.68 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 91 A 7.62 4.59 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 92 E 8.65 4.24 0.00 1.96 1.91 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 2.28 2.32 0.00 93 L 8.24 4.16 0.00 1.60 1.58 0.85 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.04 4.86 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 95 T 8.46 4.03 4.28 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 1.23 0.00 0.00 96 S 8.05 4.33 0.00 4.02 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 97 Q 7.95 4.30 0.00 2.52 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 98 F 7.77 4.96 0.00 3.09 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 99 D 9.40 4.75 0.00 2.76 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 0.00 100 D 8.66 4.51 0.00 2.73 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 0.00 101 T 7.97 4.49 4.56 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 1.23 0.00 0.00 102 G 8.14 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 0.00 103 N 7.83 5.77 0.00 2.71 2.71 0.00 0.00 6.47 8.13 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 0.00 104 F 8.74 5.32 0.00 2.78 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 0.00 0.00 0.00 0.00 105 S 8.78 5.23 0.00 3.78 3.71 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 0.00 106 F 8.71 4.84 0.00 3.09 3.28 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 0.00 107 G 9.09 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 0.00 0.00 0.00 0.00 *128 L 8.24 4.10 0.00 1.69 1.62 0.95 1.06 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 0.00 129 D 8.48 4.98 0.00 2.57 2.40 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 0.00 130 V 7.73 4.36 0.67 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 0.88 0.00 0.00 0.87 0.00 0.00 131 T 8.69 4.82 4.10 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 1.13 0.00 0.00 132 V 7.92 4.56 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 1.06 0.00 0.00 0.73 0.00 0.00 133 N 8.97 5.01 0.00 2.81 2.66 0.00 0.00 6.70 6.27 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 0.00 134 L 7.68 5.28 0.00 1.88 1.49 1.29 1.08 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 0.00 135 V 7.59 4.12 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 0.40 0.00 0.00 0.41 0.00 0.00 136 R 8.80 4.00 0.00 1.67 1.77 0.00 3.07 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.50 0.00 137 P 0.00 3.70 0.00 2.25 2.24 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.10 0.00 138 G 7.57 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 Y 7.61 4.44 0.00 2.97 2.98 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 0.00 140 R 7.94 3.85 0.00 1.92 1.91 0.00 3.24 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 1.67 1.66 0.00 141 V 7.44 3.55 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.99 0.00 0.00 142 A 7.23 4.81 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.35 4.16 0.00 1.56 1.73 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.74 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.73 1.11 7.81 144 R 7.51 4.25 0.00 1.91 1.99 0.00 3.02 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.68 0.00 145 D 8.44 4.62 0.00 2.66 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 0.00 146 K 8.11 3.85 0.00 1.73 1.74 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.42 7.81 147 A 8.42 3.72 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 0.00 148 S 7.56 4.57 0.00 3.92 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 0.00 149 R 8.66 4.66 0.00 1.89 1.72 0.00 3.12 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 150 S 8.53 4.63 0.00 3.92 3.74 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 0.00 151 I 8.31 3.90 1.99 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 1.53 1.21 1.02 0.00 0.00 152 P 0.00 4.45 0.00 2.21 1.99 0.00 3.65 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 2.12 2.09 0.00 153 T 8.67 3.91 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 1.23 0.00 0.00 154 K 7.92 4.00 0.00 1.77 1.94 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.57 7.81 155 H 7.79 4.45 0.00 3.09 3.35 0.00 5.95 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.09 4.11 0.00 2.02 1.87 0.00 3.43 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.75 0.00 157 L 8.40 4.03 0.00 1.49 1.69 0.81 0.90 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 0.00 158 N 8.25 5.04 0.00 2.78 2.65 0.00 0.00 7.01 8.03 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 0.00 159 P 0.00 4.17 0.00 2.11 2.13 0.00 3.58 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.40 0.00 160 A 7.79 3.77 1.24 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 0.00 0.00 161 D 8.01 4.29 0.00 2.68 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 0.00 162 A 8.01 4.06 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 0.00 163 V 7.32 3.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 -0.00 0.00 0.00 164 A 7.66 3.90 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 0.00 165 F 7.55 4.05 0.00 3.02 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 0.00 166 I 7.82 3.61 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.83 0.94 0.00 0.00 167 E 8.32 4.41 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 168 S 7.28 4.52 0.00 3.94 3.78 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 0.00 169 T 7.31 4.09 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 0.97 0.00 0.00 170 Y 7.44 3.73 0.00 3.11 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 0.00 171 D 7.00 4.50 0.00 2.82 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 0.00 172 V 8.08 4.61 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 0.85 0.00 0.00 0.92 0.00 0.00 173 E 8.15 4.64 0.00 2.01 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 2.14 2.26 0.00 174 V 8.77 3.74 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 0.78 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.