NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.2867 7.9133 120.4620 61.5574 33.5944 173.9100 3 K 5.1868 8.5777 120.7782 54.4249 36.2571 173.4275 4 A 5.3357 9.1030 124.3890 50.8330 23.8786 174.8174 5 V 5.0579 8.8541 117.4523 60.9495 35.5094 173.2089 6 C 5.0625 9.1021 121.1669 57.9239 35.7162 172.5922 7 V 4.7604 8.4328 125.0418 61.3341 33.3978 174.0874 8 L 4.9936 8.8593 128.5218 53.8379 43.3274 175.7464 9 A 4.8595 8.9135 123.9055 51.4215 23.2040 175.8366 10 G 3.9864 8.2459 105.7223 45.6752 0.0000 173.0871 11 S 4.3658 8.8340 113.3845 59.7982 64.3230 174.9248 12 G 4.2355 7.6933 111.0561 45.8171 0.0000 173.3464 13 D 4.6641 8.6438 123.1354 54.1874 41.5226 176.3370 14 V 4.2572 7.5395 120.8765 62.5471 32.1312 175.1728 15 K 4.8287 8.5961 125.9137 56.0973 36.6292 175.1365 16 G 4.2837 8.2339 107.0178 46.3335 0.0000 172.0427 17 V 4.9870 8.1701 118.6237 61.1196 35.3810 174.3989 18 V 4.6454 8.7090 126.5510 61.4114 34.6395 173.7627 19 H 5.3821 9.1744 124.6634 54.1372 31.7012 173.5645 20 F 5.3922 9.1373 119.5493 55.8830 42.9161 173.6888 21 E 5.2162 9.3313 122.6906 54.9033 33.4471 173.6288 22 Q 4.8614 8.9699 126.1817 54.6667 32.7075 173.8721 23 Q 4.7175 8.7225 124.2865 55.0406 32.1937 175.3007 24 D 4.2446 8.4972 120.6605 55.2101 38.9212 174.5300 25 E 4.7039 8.7643 112.6969 55.8505 30.4908 176.2745 25A G 3.9830 7.6326 110.4629 44.6510 0.0000 174.2002 26 A 4.3392 8.4282 120.9306 52.1998 19.5083 177.5971 27 V 4.4747 8.8127 120.4073 61.4923 33.8269 174.6822 28 S 5.0022 9.0688 123.3763 57.2943 64.0943 172.6551 29 V 4.7110 9.0151 127.4228 61.1307 34.1625 173.9374 30 E 4.8411 8.9232 127.1648 54.5223 33.3209 175.2178 31 G 3.7840 7.7070 110.0672 44.6244 0.0000 171.3250 32 K 5.0934 8.5354 120.6031 54.7758 35.8269 174.8910 33 I 5.1038 9.0971 127.9680 59.6251 40.9399 174.2621 34 E 4.9433 9.5319 126.3926 55.5389 32.5155 177.0071 35 G 3.8758 9.1774 111.4282 45.3334 0.0000 173.5408 36 L 4.3895 7.5843 119.5883 53.4295 42.8706 176.5629 37 T 4.3740 8.1774 111.8769 61.0797 69.6787 174.1975 38 D 4.5627 8.4394 123.0900 55.6947 41.7528 175.2037 39 G 3.7770 8.1487 107.5370 44.0000 0.0000 172.3305 40 L 4.8151 8.2491 119.2554 54.6714 42.9385 176.4872 41 H 5.0398 9.1333 119.5419 53.6743 32.9133 173.3029 42 G 3.9948 8.9439 110.9272 46.4363 0.0000 172.3229 43 F 5.3427 9.2272 125.3675 56.7289 42.3775 173.1780 44 H 5.1070 8.6230 122.3059 54.2161 34.0066 172.5539 45 I 4.6222 8.3547 121.5620 60.5074 38.5963 175.1950 46 H 5.1944 9.2156 125.4173 54.4685 30.4733 177.0251 47 V 3.3993 8.4927 121.1972 64.5887 31.4091 176.6018 48 F 4.8480 8.2035 120.2125 54.9688 41.0276 176.7585 49 G 4.0381 8.4313 110.2104 44.7154 0.0000 174.0103 50 D 4.7526 8.1018 119.4328 52.6950 42.1160 174.4536 51 N 5.2811 8.7699 123.1179 52.4534 39.0368 176.5568 52 T 3.9677 8.4782 112.2687 63.8647 69.0093 174.3703 53 N 4.9134 8.2499 121.0179 52.6379 39.5920 173.8873 54 G 4.1740 7.7261 109.4560 46.7817 0.0000 175.3393 55 C 4.4623 8.5750 115.6839 59.0587 40.3404 175.6122 56 M 4.0289 7.7921 119.5036 57.9509 31.2095 177.7245 57 S 4.5150 7.8604 110.9823 59.0130 63.9132 175.1598 58 A 4.4855 7.4470 126.1811 54.0549 18.4297 178.8465 59 G 4.1657 7.9502 104.7228 45.1023 0.0000 172.3208 60 S 4.6725 8.1286 115.4879 57.5584 65.7614 173.3291 61 H 4.6234 8.3464 117.1635 55.9499 29.5668 175.6516 62 F 4.3396 8.8738 124.8547 57.8960 40.2700 175.1281 63 N 4.8511 7.8290 126.3452 51.7023 38.7179 173.0474 64 P 4.2316 0.0000 0.0000 64.6701 32.2818 177.5812 65 E 4.2454 7.8261 117.0028 55.4350 30.1988 175.2489 66 N 4.0801 7.8196 114.7883 54.8392 36.0083 172.2361 67 K 4.7165 8.2619 115.9333 54.3797 36.5100 177.3013 68 N 4.7447 8.8177 118.8710 52.5999 40.3431 174.5479 69 H 4.1114 8.6599 121.0034 56.7598 30.4962 175.0595 70 G 4.0441 8.1602 110.9860 44.5658 0.0000 171.9708 71 A 4.4337 8.5514 121.8200 50.4229 19.7728 177.1350 72 P 4.2425 0.0000 0.0000 65.6262 31.4373 178.2216 73 G 3.7902 7.9402 104.1654 46.4701 0.0000 173.3124 74 D 4.7109 7.6641 119.9083 53.7547 41.9388 176.8695 75 T 3.9770 8.3621 118.0278 66.3258 68.5159 174.9956 76 D 4.6075 7.7760 122.7497 52.6418 39.8513 174.7403 77 R 4.8470 7.4713 118.8474 54.2611 32.8668 175.0913 78 H 4.5460 9.0177 116.3853 55.0724 29.5779 176.9433 79 V 3.4910 8.4171 122.3263 66.4880 31.3437 177.1881 80 G 3.8648 8.1147 104.2680 47.0462 0.0000 173.3767 81 D 4.9082 8.1236 121.5350 53.2694 40.2335 175.7810 82 L 4.4495 8.3339 120.6747 53.8704 42.4357 179.1197 83 G 3.8864 8.2505 107.0991 46.0008 0.0000 172.2140 84 N 5.4647 8.6007 119.1048 51.6399 41.4883 174.7644 85 V 4.2876 8.6779 115.2845 59.9769 34.6059 174.7463 86 T 5.0329 8.3154 119.0058 61.9023 71.0849 173.0202 87 A 5.0741 8.9114 128.6309 50.4387 21.7747 175.3253 88 E 4.8244 9.0444 122.2521 54.2359 33.6407 176.0759 *90 G 3.8002 8.6672 114.9704 45.4549 0.0000 173.7256 91 G 4.3343 8.5507 106.7748 43.9973 0.0000 173.7916 92 V 4.9291 7.7543 118.8872 60.8000 35.2162 173.9135 93 A 5.2258 9.0399 129.3738 49.5895 21.1631 175.1824 94 Q 5.0743 8.8056 121.7538 54.1740 31.4799 175.2169 95 F 5.0363 8.4372 118.1473 55.1325 42.0260 173.4161 96 K 5.0077 8.6714 120.6207 55.0331 34.7349 175.2301 97 I 4.8912 9.2430 127.4747 59.8502 41.8576 174.3184 98 T 5.1867 8.5217 119.9005 61.9725 71.4147 173.0801 99 D 4.9709 9.2550 125.0916 52.7033 44.8850 175.7100 100 S 4.6846 8.9559 117.8372 58.2702 64.0995 174.5407 101 L 4.3672 8.2618 121.5189 56.6705 42.3420 177.5183 102 I 3.9964 7.7673 109.8600 61.1534 38.3246 174.4562 103 S 4.6465 8.2232 114.3783 57.4999 65.3864 174.0004 104 L 4.5346 8.8115 121.5892 54.1104 41.8525 176.4956 105 K 4.5036 7.8711 116.9161 56.4966 35.8727 177.1420 106 G 3.8960 8.6341 108.6796 44.0222 0.0000 172.2101 107 P 4.3161 0.0000 0.0000 65.3921 31.2726 176.6555 108 N 4.9834 8.0045 114.5399 52.8359 38.6483 174.7470 109 S 4.2671 7.9707 114.2267 58.7545 63.0062 174.0949 110 I 3.8608 8.1364 119.4106 60.3050 38.0316 175.5579 111 I 3.5614 7.0239 123.0932 62.8671 37.3912 176.3727 112 G 3.7618 9.1436 113.1692 45.5754 0.0000 172.7007 113 R 4.8901 7.3974 118.5681 54.4924 33.8353 174.5717 114 T 5.0076 8.0962 115.3165 61.9283 71.2808 173.8717 115 A 4.6263 8.6002 128.3914 51.1030 20.7233 176.2660 116 V 4.8554 8.5802 121.9334 60.9020 35.3266 174.4012 117 V 5.0023 8.5052 127.1191 60.5737 33.4033 174.8154 118 H 5.3113 8.9649 122.3539 54.3714 30.1134 175.0047 119 E 4.1946 9.0985 122.5188 58.9784 30.1351 176.6855 120 K 4.7643 8.2061 116.7873 53.7185 36.2777 175.7337 121 A 4.4453 8.3722 123.8358 52.2114 18.8552 176.7082 122 D 4.7284 9.0834 122.2149 53.7829 41.7990 176.2323 123 D 4.5325 9.1737 125.5156 53.3280 39.5649 176.9480 124 L 3.5518 9.7440 119.7017 56.0109 39.5859 175.9776 125 G 4.0774 8.5922 105.1449 45.7185 0.0000 174.6859 126 K 4.5318 7.8607 117.3547 56.0393 32.3127 177.5350 127 G 3.7358 7.7491 108.2433 45.7648 0.0000 175.4529 128 G 3.8946 9.3388 107.7145 45.4759 0.0000 172.4583 129 N 5.0360 7.5969 114.6058 50.8877 40.6575 174.1346 130 D 4.4591 8.6847 118.2945 57.3972 41.2811 178.7491 131 E 3.9279 8.2315 119.1718 59.2274 29.4228 178.4654 132 S 4.0594 8.3897 113.2476 61.3805 62.3741 175.5449 133 L 4.3540 7.8874 118.8509 55.5370 41.2334 178.0958 134 K 4.3234 7.6956 117.4922 57.4847 34.3390 176.7821 135 T 4.1636 7.7926 105.8044 59.8544 70.1578 175.1415 136 G 3.7095 8.0808 110.3743 45.6192 0.0000 173.6103 137 N 4.2977 7.8449 114.2803 54.0059 36.7924 175.8328 138 A 3.9881 7.5824 119.5276 52.4444 19.4619 180.0471 139 G 3.9645 7.4027 104.5561 45.0689 0.0000 173.6142 140 G 3.8465 8.8984 108.5984 46.7240 0.0000 173.2679 141 R 4.6886 8.3285 119.3556 54.4939 30.1074 176.3643 142 L 4.3002 8.8822 125.9275 57.4662 42.9574 177.2116 143 A 4.8496 7.7494 117.9216 51.4032 22.8635 173.9469 144 C 5.5770 8.7575 113.0860 55.9992 43.5314 172.9252 145 G 4.8397 8.1760 104.5679 45.9002 0.0000 172.2744 146 V 4.5002 8.2565 121.5706 62.1951 32.7373 175.4568 147 I 4.2567 8.5928 129.3451 60.9087 38.1921 175.3142 148 G 4.4261 8.8294 113.3808 43.9925 0.0000 171.2669 149 Y 4.8172 8.4364 117.4807 58.0833 38.4747 175.6068 150 S 4.9670 8.7731 117.0064 55.5181 66.1906 172.1342 151 P 4.4686 0.0000 0.0000 63.0784 31.3011 176.1675 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 V 7.91 4.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.11 0.00 0.00 3 K 8.58 5.19 0.00 2.03 1.78 0.00 1.65 0.00 0.00 2.02 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.57 7.81 4 A 9.10 5.34 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 5 V 8.85 5.06 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 0.71 0.00 0.00 0.78 0.00 0.00 6 C 9.10 5.06 0.00 3.27 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 7 V 8.43 4.76 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 0.96 0.00 0.00 0.94 0.00 0.00 8 L 8.86 4.99 0.00 1.74 1.62 1.08 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.91 4.86 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 10 G 8.25 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 11 S 8.83 4.37 0.00 4.00 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 12 G 7.69 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 0.00 0.00 0.00 0.00 13 D 8.64 4.66 0.00 2.66 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.54 4.26 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 0.84 0.00 0.00 0.98 0.00 0.00 15 K 8.60 4.83 0.00 1.85 1.84 0.00 1.41 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.40 7.81 16 G 8.23 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 0.00 0.00 0.00 0.00 17 V 8.17 4.99 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 0.89 0.00 0.00 0.92 0.00 0.00 18 V 8.71 4.65 2.16 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 0.55 0.00 0.00 1.09 0.00 0.00 19 H 9.17 5.38 0.00 3.03 3.11 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 9.14 5.39 0.00 2.99 2.92 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 21 E 9.33 5.22 0.00 2.05 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 2.24 2.30 0.00 22 Q 8.97 4.86 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.37 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 23 Q 8.72 4.72 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 5.68 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 24 D 8.50 4.24 0.00 2.94 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 25 E 8.76 4.70 0.00 1.96 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 2.22 2.28 0.00 25A G 7.63 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 26 A 8.43 4.34 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.81 4.47 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 1.13 0.00 0.00 1.07 0.00 0.00 28 S 9.07 5.00 0.00 3.96 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 29 V 9.02 4.71 2.19 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 0.88 0.00 0.00 1.16 0.00 0.00 30 E 8.92 4.84 0.00 1.73 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 31 G 7.71 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 0.00 0.00 0.00 32 K 8.54 5.09 0.00 1.68 1.51 0.00 1.52 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.36 7.81 33 I 9.10 5.10 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.80 0.98 0.00 0.00 34 E 9.53 4.94 0.00 1.88 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 2.21 2.22 0.00 35 G 9.18 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 36 L 7.58 4.39 0.00 1.67 1.43 0.83 0.46 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 37 T 8.18 4.37 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 1.24 0.00 0.00 38 D 8.44 4.56 0.00 2.68 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 39 G 8.15 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 0.00 0.00 0.00 40 L 8.25 4.82 0.00 1.51 1.58 0.91 0.92 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 H 9.13 5.04 0.00 3.00 3.29 0.00 5.62 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 42 G 8.94 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 43 F 9.23 5.34 0.00 2.89 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 44 H 8.62 5.11 0.00 3.11 2.86 0.00 5.67 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.35 4.62 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.21 0.83 0.00 0.00 46 H 9.22 5.19 0.00 3.02 3.44 0.00 5.64 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 47 V 8.49 3.40 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.49 0.00 0.00 48 F 8.20 4.85 0.00 3.12 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 49 G 8.43 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 0.00 0.00 0.00 50 D 8.10 4.75 0.00 2.59 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 51 N 8.77 5.28 0.00 2.73 2.78 0.00 0.00 7.30 7.54 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 52 T 8.48 3.97 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 53 N 8.25 4.91 0.00 2.73 2.73 0.00 0.00 6.98 7.81 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 54 G 7.73 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 0.00 0.00 0.00 0.00 55 C 8.57 4.46 0.00 2.98 3.09 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 56 M 7.79 4.03 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.60 0.00 57 S 7.86 4.51 0.00 4.01 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 58 A 7.45 4.49 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.95 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 0.00 0.00 0.00 0.00 60 S 8.13 4.67 0.00 3.74 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 61 H 8.35 4.62 0.00 2.76 3.07 0.00 5.72 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.87 4.34 0.00 2.94 2.87 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 0.00 0.00 0.00 63 N 7.83 4.85 0.00 2.60 2.45 0.00 0.00 6.92 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.23 0.00 2.02 1.87 0.00 3.04 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 1.59 1.04 0.00 65 E 7.83 4.25 0.00 1.88 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 2.16 2.18 0.00 66 N 7.82 4.08 0.00 2.87 2.84 0.00 0.00 6.69 6.90 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 67 K 8.26 4.72 0.00 1.74 1.88 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.57 7.81 68 N 8.82 4.74 0.00 2.75 2.70 0.00 0.00 7.09 7.84 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 69 H 8.66 4.11 0.00 3.22 3.26 0.00 5.96 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 70 G 8.16 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 0.00 0.00 0.00 71 A 8.55 4.43 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 72 P 0.00 4.24 0.00 2.09 2.17 0.00 3.94 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 2.05 2.10 0.00 73 G 7.94 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 74 D 7.66 4.71 0.00 2.77 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.36 3.98 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 76 D 7.78 4.61 0.00 2.72 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 77 R 7.47 4.85 0.00 1.81 1.85 0.00 2.93 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 78 H 9.02 4.55 0.00 3.44 3.34 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.42 3.49 1.68 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 0.83 0.00 0.00 0.74 0.00 0.00 80 G 8.11 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 0.00 0.00 0.00 81 D 8.12 4.91 0.00 2.65 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 82 L 8.33 4.45 0.00 1.98 1.89 1.16 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.25 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 0.00 0.00 0.00 84 N 8.60 5.46 0.00 2.58 2.70 0.00 0.00 6.62 7.68 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 85 V 8.68 4.29 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 -0.50 0.00 0.00 0.80 0.00 0.00 86 T 8.32 5.03 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 1.22 0.00 0.00 87 A 8.91 5.07 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 88 E 9.04 4.82 0.00 2.01 1.74 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 2.20 2.26 0.00 *90 G 8.67 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 91 G 8.55 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 0.00 0.00 0.00 0.00 92 V 7.75 4.93 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 0.94 0.00 0.00 0.93 0.00 0.00 93 A 9.04 5.23 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 94 Q 8.81 5.07 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.72 0.00 0.00 0.00 0.00 0.00 2.14 2.26 0.00 95 F 8.44 5.04 0.00 2.92 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 96 K 8.67 5.01 0.00 1.68 1.68 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.73 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.26 1.35 7.81 97 I 9.24 4.89 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.74 1.01 0.00 0.00 98 T 8.52 5.19 4.27 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 1.25 0.00 0.00 99 D 9.26 4.97 0.00 2.82 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 0.00 100 S 8.96 4.68 0.00 4.02 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 0.00 101 L 8.26 4.37 0.00 1.85 1.75 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.77 4.00 1.93 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.61 1.02 0.00 0.00 103 S 8.22 4.65 0.00 3.85 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 0.00 104 L 8.81 4.53 0.00 1.81 1.64 0.99 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 105 K 7.87 4.50 0.00 1.89 1.78 0.00 1.85 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.41 7.81 106 G 8.63 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 0.00 107 P 0.00 4.32 0.00 2.21 2.23 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 108 N 8.00 4.98 0.00 2.75 3.02 0.00 0.00 6.85 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 7.97 4.27 0.00 3.77 3.76 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 0.00 110 I 8.14 3.86 1.57 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.07 0.93 0.00 0.00 111 I 7.02 3.56 1.63 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.41 0.39 0.00 0.00 112 G 9.14 3.76 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 0.00 0.00 0.00 113 R 7.40 4.89 0.00 1.55 1.76 0.00 2.21 0.00 0.00 2.41 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.19 0.00 114 T 8.10 5.01 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 1.19 0.00 0.00 115 A 8.60 4.63 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 0.00 116 V 8.58 4.86 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 0.69 0.00 0.00 0.71 0.00 0.00 117 V 8.51 5.00 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 0.82 0.00 0.00 1.04 0.00 0.00 118 H 8.96 5.31 0.00 3.17 3.49 0.00 5.66 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 9.10 4.19 0.00 2.03 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 2.36 2.34 0.00 120 K 8.21 4.76 0.00 1.74 1.66 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.36 7.81 121 A 8.37 4.45 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 0.00 122 D 9.08 4.73 0.00 2.71 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 0.00 123 D 9.17 4.53 0.00 2.93 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 0.00 124 L 9.74 3.55 0.00 1.87 1.79 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 125 G 8.59 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 0.00 126 K 7.86 4.53 0.00 1.90 1.79 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.49 7.81 127 G 7.75 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 0.00 0.00 0.00 128 G 9.34 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 0.00 0.00 0.00 129 N 7.60 5.04 0.00 2.76 2.75 0.00 0.00 6.23 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 0.00 130 D 8.68 4.46 0.00 2.80 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 0.00 131 E 8.23 3.93 0.00 2.06 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 0.00 2.42 2.40 0.00 132 S 8.39 4.06 0.00 4.10 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 0.00 133 L 7.89 4.35 0.00 1.87 1.67 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 134 K 7.70 4.32 0.00 1.79 1.78 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.38 7.81 135 T 7.79 4.16 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 1.16 0.00 0.00 136 G 8.08 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 0.00 0.00 0.00 137 N 7.84 4.30 0.00 3.02 2.87 0.00 0.00 6.92 8.11 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 0.00 138 A 7.58 3.99 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 G 7.40 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 0.00 140 G 8.90 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 0.00 0.00 0.00 141 R 8.33 4.69 0.00 1.67 1.83 0.00 3.20 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.65 0.00 142 L 8.88 4.30 0.00 1.73 1.71 0.94 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 143 A 7.75 4.85 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 0.00 144 C 8.76 5.58 0.00 3.01 3.11 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 0.00 145 G 8.18 4.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.26 4.50 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 0.77 0.00 0.00 0.98 0.00 0.00 147 I 8.59 4.26 1.78 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.46 0.49 0.00 0.00 148 G 8.83 4.43 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 0.00 149 Y 8.44 4.82 0.00 2.90 2.86 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 0.00 150 S 8.77 4.97 0.00 3.93 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 0.00 151 P 0.00 4.47 0.00 2.24 2.04 0.00 3.90 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 2.02 1.98 0.00 * Residues marked with a * may have inaccurate shift predictions.