NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.4549 0.0000 0.0000 62.3106 32.8843 176.3885 6 T 4.0584 9.0067 112.6395 60.7772 70.9187 174.5071 7 I 3.6640 8.2939 121.4100 64.5292 37.5929 179.0259 8 N 4.2249 8.2927 117.4337 57.0693 38.5444 176.5661 9 Q 3.9427 8.2640 119.1672 59.1629 29.0308 178.8529 10 L 4.1744 8.0065 119.8314 57.7189 41.3488 179.7593 11 V 3.6955 8.1679 117.7872 65.2231 31.4595 177.8125 12 R 4.2259 7.6374 117.0232 58.1472 30.5197 177.9189 13 K 4.3797 8.5300 116.3114 54.7677 33.6140 177.5717 14 G 4.2586 7.5936 107.8367 44.5286 0.0000 172.9278 15 R 4.2698 8.1800 117.3340 55.3652 31.0446 175.7695 16 E 4.6307 8.2988 120.6282 54.0682 31.4415 175.9788 17 K 4.1099 8.4110 125.5629 56.0400 32.8508 176.8551 18 V 3.7545 8.2133 123.0053 62.6735 31.6880 175.9587 19 R 4.4459 8.3332 126.2876 55.1787 31.3560 175.8937 20 K 4.5792 8.2186 118.5547 54.5368 34.9638 176.3775 21 K 4.2865 8.4840 123.3088 55.5483 33.0925 176.8687 22 S 4.3953 8.3958 117.0991 58.1759 63.0491 173.8478 23 K 4.4459 8.3794 121.5724 56.3300 33.3326 177.1461 24 V 4.3460 8.0171 118.2788 60.5205 31.8171 174.3034 25 P 4.5334 0.0000 0.0000 62.0373 29.8878 177.0536 26 A 4.0097 7.6757 115.9439 51.4559 18.9645 178.1120 27 L 3.0224 7.9062 121.1790 57.4145 42.7198 174.1832 28 K 4.1025 9.3406 115.0545 56.3694 30.5390 174.4893 29 G 3.9579 8.4056 104.8237 45.5458 0.0000 173.7858 30 A 3.8818 8.2718 122.5065 51.0641 19.0033 177.1831 31 P 4.1268 0.0000 0.0000 65.3303 31.5334 176.4389 32 F 5.2589 7.2838 111.9046 55.9787 43.5749 174.2367 33 R 4.7198 8.8417 120.1507 54.8297 33.7149 173.8599 34 R 4.9733 8.7499 125.8589 55.7456 32.3433 174.9993 35 G 4.4967 8.8304 111.0668 45.5276 0.0000 171.3029 36 V 4.9506 8.4182 119.0157 60.8567 34.4394 174.8239 37 C 4.3391 8.7486 124.7366 60.9548 28.2864 172.1285 38 T 4.2166 9.2771 117.4463 63.3610 68.5223 176.2555 39 V 4.1623 7.5729 120.8181 61.2251 34.8794 175.8396 40 V 4.6252 7.4608 119.8557 61.5821 31.5984 175.0067 41 R 4.3028 7.4812 121.8938 56.9667 31.3174 174.7198 42 T 4.8861 7.9955 110.8340 62.8284 72.2077 173.1769 43 V 4.6834 8.9414 124.1330 61.3281 35.9429 173.9021 44 T 4.7737 8.3153 114.0375 59.6636 69.8926 173.0314 45 P 4.6363 0.0000 0.0000 61.5363 32.4712 177.7633 46 K 4.4134 8.3178 119.4223 57.4136 33.3212 180.0475 47 K 4.0148 8.1276 115.3888 55.1435 34.5582 173.8019 48 P 5.0130 0.0000 0.0000 62.5122 31.8817 173.5171 49 N 5.1154 8.2308 114.2444 52.6833 42.4804 174.6026 50 S 4.4014 7.5831 112.1081 56.6856 65.1485 173.3870 51 A 4.3308 7.6781 129.8827 52.7967 21.0559 176.4334 52 L 4.8687 7.8880 118.9904 53.0052 40.2901 176.6219 53 R 4.1142 8.3423 119.9669 56.4221 32.0202 176.6282 54 K 4.4058 8.6238 123.1766 55.9352 33.0685 176.0814 55 V 4.7802 7.7612 126.3668 62.1057 34.6356 174.0702 56 A 4.4297 7.6936 116.8335 51.0390 23.1965 176.0179 57 K 4.3923 8.2960 124.3854 56.3199 33.7155 175.9311 58 V 4.7920 8.9109 127.0894 61.1297 35.3397 174.1818 59 R 4.9478 8.8819 128.6314 54.8819 31.0549 175.6198 60 L 4.8169 9.4975 128.6546 54.2618 42.8977 178.7985 61 T 3.9928 8.9668 111.6447 64.8210 68.8782 176.7745 62 S 4.5625 8.1274 114.9579 58.1430 62.6682 173.8266 63 G 4.0717 8.2368 107.1804 48.1181 0.0000 173.3021 64 Y 4.7522 7.6134 113.3565 55.8470 42.8677 175.8733 65 E 5.1602 8.7528 119.4171 55.1680 32.5761 175.4186 66 V 4.7732 9.1012 117.8339 59.7002 35.7484 174.6890 67 T 4.7908 8.6215 113.0609 61.6268 70.7220 173.3280 68 A 5.1558 9.1005 126.1991 50.1285 22.6760 174.8871 69 Y 4.1384 8.9362 124.1832 58.0722 40.3062 175.2173 70 I 4.4243 6.9245 126.9359 58.2826 37.3771 173.8393 71 P 4.6490 0.0000 0.0000 62.9991 32.1243 177.2436 72 G 3.8970 8.8974 105.2273 44.7875 0.0000 173.6894 73 E 4.0594 8.4763 117.3024 58.7642 29.5727 177.6872 74 G 4.1475 7.2153 105.3398 44.3483 0.0000 172.2060 75 H 5.2877 8.3972 117.5602 53.8485 31.2413 173.2246 76 N 4.8819 8.4223 113.9542 52.3710 36.9619 174.6631 77 L 4.5455 8.1430 119.5444 54.5565 42.7499 176.6572 78 Q 4.4360 8.5039 129.3441 55.5694 30.3078 175.7921 79 E 4.1306 8.8632 119.6852 60.5866 29.8808 179.3259 80 H 4.9268 7.6802 113.3436 55.9490 29.6816 175.3317 81 S 4.5337 7.9165 115.8486 58.4097 64.2540 173.8388 82 V 4.3475 10.6661 125.6156 62.4574 32.5213 175.2696 83 V 5.0545 8.9558 126.7117 59.8784 35.7522 173.8723 84 L 5.1265 8.4017 122.3166 53.4082 44.6947 175.0905 85 I 4.8946 9.1166 128.0149 60.7854 38.4934 176.4353 86 R 4.7738 8.9177 120.1277 54.6290 31.0862 171.7368 87 G 3.8638 8.6634 117.2607 44.3050 0.0000 173.2551 88 G 4.6449 7.7976 125.3938 45.1786 0.0000 172.4242 89 R 4.0648 7.9623 123.5147 55.5650 30.5175 176.5066 90 V 4.0918 7.7882 115.8145 60.9563 32.2339 175.7034 91 K 4.0232 8.4370 128.6778 59.3984 32.3719 177.3817 92 D 4.4178 8.1787 118.7177 56.6435 41.1427 175.9955 93 L 4.5506 7.4450 122.0319 51.8800 40.6875 173.5236 94 P 4.4372 0.0000 0.0000 64.1263 31.9853 175.8109 95 G 4.0677 9.0572 109.0377 45.4448 0.0000 173.8467 96 V 4.3956 7.8829 119.6683 61.1792 32.0732 175.9816 97 R 4.5291 8.4145 124.4343 55.7355 31.7016 174.0336 98 Y 5.2733 7.7010 115.1309 56.8700 43.2075 173.3719 99 H 5.5257 8.9505 116.1147 54.2360 32.9186 173.2259 100 I 4.5050 8.7431 123.0125 61.0342 38.4111 176.6855 101 V 3.9862 8.6139 126.9458 61.2099 31.5523 174.5685 102 R 4.0345 8.4231 126.0742 57.9508 30.2756 177.6919 103 G 4.1389 8.6884 110.7958 45.0566 0.0000 173.3918 104 V 4.1548 7.2686 119.5273 61.9775 34.3643 175.2983 105 Y 3.8790 8.3002 123.4352 59.4942 35.2968 171.7160 106 D 4.3521 9.4815 125.9167 57.7562 41.2231 176.1930 107 A 4.1059 8.0264 122.1055 51.3449 17.9423 176.7773 108 A 4.4409 8.7195 125.6695 52.3893 19.1658 178.1704 109 G 4.2789 8.2307 106.6496 45.8398 0.0000 172.4662 110 V 4.4248 7.9978 119.7543 61.4761 32.5266 176.4863 111 K 4.2762 8.5288 126.2506 56.3755 33.8331 176.9732 112 D 4.7477 8.7357 121.4868 54.9181 38.2759 173.6166 113 R 4.1861 7.4135 120.1967 55.7824 30.0916 176.2024 114 K 4.6499 8.6323 123.2583 55.9562 35.8907 176.7937 115 K 4.1839 8.3210 116.3496 56.8755 29.7962 179.6225 116 S 4.6229 9.1306 123.0530 59.9042 61.2289 174.9765 117 R 4.3640 7.9053 122.9878 58.9288 30.8965 179.6419 118 S 4.1300 8.1826 111.6274 60.9525 63.0448 175.0335 119 K 4.0208 7.1371 116.9761 56.9808 32.6855 176.4494 120 Y 3.6663 8.0297 118.1403 58.7574 35.8105 170.5036 121 G 3.9203 7.0702 106.6580 46.8907 0.0000 174.7249 122 T 4.7008 7.7735 116.8435 61.2942 70.7703 175.4317 123 K 4.0041 8.5852 126.0390 56.1706 32.7136 176.4897 124 K 4.1723 8.3810 122.4400 54.9863 32.4541 174.9993 125 P 4.3844 0.0000 0.0000 62.2540 31.8523 176.4515 126 K 4.2498 8.4298 121.8068 56.8665 33.3713 176.1826 127 E 4.5435 7.8647 117.3591 55.4179 32.6889 175.1489 128 A 4.4517 8.2058 122.7926 51.8507 20.6315 175.8026 *129 A 4.1172 7.9270 127.7041 51.8262 18.9464 177.0487 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 5 P 0.00 4.45 0.00 2.06 2.05 0.00 3.64 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 1.92 2.08 0.00 6 T 9.01 4.06 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 1.28 0.00 0.00 7 I 8.29 3.66 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.85 0.91 0.00 0.00 8 N 8.29 4.22 0.00 2.82 2.84 0.00 0.00 7.16 6.76 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 9 Q 8.26 3.94 0.00 2.39 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 10 L 8.01 4.17 0.00 1.83 1.72 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.17 3.70 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 0.83 0.00 0.00 0.97 0.00 0.00 12 R 7.64 4.23 0.00 1.98 1.96 0.00 3.19 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.97 0.00 13 K 8.53 4.38 0.00 1.65 1.84 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.42 7.81 14 G 7.59 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 15 R 8.18 4.27 0.00 1.81 1.86 0.00 3.34 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 16 E 8.30 4.63 0.00 1.90 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 2.19 2.29 0.00 17 K 8.41 4.11 0.00 1.78 1.72 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.42 7.81 18 V 8.21 3.75 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 0.79 0.00 0.00 0.93 0.00 0.00 19 R 8.33 4.45 0.00 1.84 1.83 0.00 3.36 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 20 K 8.22 4.58 0.00 1.68 1.67 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.34 7.81 21 K 8.48 4.29 0.00 1.74 1.73 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.42 7.81 22 S 8.40 4.40 0.00 3.82 3.75 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 23 K 8.38 4.45 0.00 1.67 1.71 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.28 7.81 24 V 8.02 4.35 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 0.98 0.00 0.00 0.83 0.00 0.00 25 P 0.00 4.53 0.00 2.19 1.99 0.00 3.75 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 2.18 2.10 0.00 26 A 7.68 4.01 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 27 L 7.91 3.02 0.00 1.69 1.53 1.01 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.34 4.10 0.00 1.90 1.95 0.00 1.92 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.43 7.81 29 G 8.41 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 30 A 8.27 3.88 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 31 P 0.00 4.13 0.00 1.46 1.95 0.00 3.72 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 1.99 1.96 0.00 32 F 7.28 5.26 0.00 2.92 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.84 4.72 0.00 1.90 1.67 0.00 3.15 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 34 R 8.75 4.97 0.00 2.15 1.83 0.00 2.80 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.90 0.00 35 G 8.83 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.42 4.95 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 1.14 0.00 0.00 0.91 0.00 0.00 37 C 8.75 4.34 0.00 3.17 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 38 T 9.28 4.22 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 1.21 0.00 0.00 39 V 7.57 4.16 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 0.96 0.00 0.00 0.93 0.00 0.00 40 V 7.46 4.63 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 0.94 0.00 0.00 0.95 0.00 0.00 41 R 7.48 4.30 0.00 1.82 1.85 0.00 3.33 0.00 0.00 3.24 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 42 T 8.00 4.89 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 43 V 8.94 4.68 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 1.03 0.00 0.00 0.97 0.00 0.00 44 T 8.32 4.77 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 45 P 0.00 4.64 0.00 2.02 2.20 0.00 3.67 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 46 K 8.32 4.41 0.00 1.95 1.50 0.00 1.31 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.34 7.81 47 K 8.13 4.01 0.00 1.80 1.70 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.44 7.81 48 P 0.00 5.01 0.00 2.17 2.04 0.00 3.75 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 1.86 1.93 0.00 49 N 8.23 5.12 0.00 2.68 2.74 0.00 0.00 6.55 8.31 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 50 S 7.58 4.40 0.00 3.79 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.68 4.33 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 52 L 7.89 4.87 0.00 1.54 1.63 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.34 4.11 0.00 1.97 2.18 0.00 3.27 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.98 0.00 54 K 8.62 4.41 0.00 1.51 1.57 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.50 7.81 55 V 7.76 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 0.84 0.00 0.00 1.03 0.00 0.00 56 A 7.69 4.43 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 57 K 8.30 4.39 0.00 1.96 1.70 0.00 1.49 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.45 7.81 58 V 8.91 4.79 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 0.85 0.00 0.00 1.01 0.00 0.00 59 R 8.88 4.95 0.00 1.93 1.82 0.00 3.15 0.00 0.00 3.17 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 60 L 9.50 4.82 0.00 1.56 1.64 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.97 3.99 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 1.24 0.00 0.00 62 S 8.13 4.56 0.00 4.03 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 63 G 8.24 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 0.00 0.00 0.00 0.00 64 Y 7.61 4.75 0.00 2.96 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 65 E 8.75 5.16 0.00 1.77 1.85 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 2.19 2.37 0.00 66 V 9.10 4.77 2.20 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 0.90 0.00 0.00 0.66 0.00 0.00 67 T 8.62 4.79 4.31 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 1.26 0.00 0.00 68 A 9.10 5.16 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 69 Y 8.94 4.14 0.00 3.04 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 6.92 4.42 1.53 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.68 0.73 0.00 0.00 71 P 0.00 4.65 0.00 2.64 2.50 0.00 3.77 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 72 G 8.90 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 73 E 8.48 4.06 0.00 2.02 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 2.21 2.28 0.00 74 G 7.22 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.40 5.29 0.00 3.24 3.28 0.00 5.51 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.42 4.88 0.00 2.79 2.85 0.00 0.00 5.83 7.79 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 77 L 8.14 4.55 0.00 1.72 1.69 0.88 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.50 4.44 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 79 E 8.86 4.13 0.00 1.83 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 1.86 2.50 0.00 80 H 7.68 4.93 0.00 3.19 3.27 0.00 5.75 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.92 4.53 0.00 3.80 3.81 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 82 V 10.67 4.35 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 0.67 0.00 0.00 0.91 0.00 0.00 83 V 8.96 5.05 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 0.77 0.00 0.00 0.98 0.00 0.00 84 L 8.40 5.13 0.00 1.44 1.33 1.03 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 85 I 9.12 4.89 2.06 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 1.29 1.13 0.87 0.00 0.00 86 R 8.92 4.77 0.00 2.17 2.32 0.00 3.25 0.00 0.00 3.39 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.66 0.00 87 G 8.66 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 88 G 7.80 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 7.96 4.06 0.00 1.97 1.89 0.00 2.93 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 90 V 7.79 4.09 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 0.65 0.00 0.00 0.61 0.00 0.00 91 K 8.44 4.02 0.00 1.71 1.80 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.44 7.81 92 D 8.18 4.42 0.00 2.66 2.67 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 0.00 0.00 0.00 0.00 93 L 7.44 4.55 0.00 1.74 1.66 1.07 1.11 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 94 P 0.00 4.44 0.00 2.04 2.01 0.00 3.65 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 95 G 9.06 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 0.00 0.00 0.00 0.00 96 V 7.88 4.40 2.12 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 1.42 0.00 0.00 1.02 0.00 0.00 97 R 8.41 4.53 0.00 1.38 1.33 0.00 3.14 0.00 0.00 3.20 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 98 Y 7.70 5.27 0.00 2.94 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 99 H 8.95 5.53 0.00 3.16 3.27 0.00 5.80 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 0.00 100 I 8.74 4.51 1.98 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 1.12 0.40 0.93 0.00 0.00 101 V 8.61 3.99 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 0.79 0.00 0.00 0.94 0.00 0.00 102 R 8.42 4.03 0.00 1.96 1.97 0.00 3.35 0.00 0.00 3.50 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.87 0.00 103 G 8.69 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 0.00 104 V 7.27 4.15 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 -0.16 0.00 0.00 0.64 0.00 0.00 105 Y 8.30 3.88 0.00 3.19 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 0.00 106 D 9.48 4.35 0.00 2.95 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 0.00 107 A 8.03 4.11 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 0.00 108 A 8.72 4.44 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 0.00 109 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 0.00 110 V 8.00 4.42 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 0.73 0.00 0.00 0.96 0.00 0.00 111 K 8.53 4.28 0.00 1.74 1.69 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.46 7.81 112 D 8.74 4.75 0.00 2.82 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 0.00 113 R 7.41 4.19 0.00 1.75 1.87 0.00 3.43 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 114 K 8.63 4.65 0.00 1.75 1.80 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.61 7.81 115 K 8.32 4.18 0.00 1.76 1.40 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.45 7.81 116 S 9.13 4.62 0.00 4.13 3.94 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 0.00 117 R 7.91 4.36 0.00 1.91 2.19 0.00 3.23 0.00 0.00 3.47 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.78 0.00 118 S 8.18 4.13 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.14 4.02 0.00 1.19 1.25 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.31 7.81 120 Y 8.03 3.67 0.00 3.28 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 0.00 121 G 7.07 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 T 7.77 4.70 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 123 K 8.59 4.00 0.00 1.75 1.76 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.39 7.81 124 K 8.38 4.17 0.00 1.72 1.73 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.43 7.81 125 P 0.00 4.38 0.00 2.22 2.05 0.00 3.83 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 126 K 8.43 4.25 0.00 1.87 1.86 0.00 1.47 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.49 7.81 127 E 7.86 4.54 0.00 2.05 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 0.00 2.18 2.31 0.00 128 A 8.21 4.45 1.23 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 0.00 0.00 0.00 *129 A 7.93 4.12 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 * Residues marked with a * may have inaccurate shift predictions.