NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 Q 4.2564 8.3449 121.7114 55.8355 31.0096 175.6682 0 L 4.6328 7.5678 115.6416 52.1645 42.4897 171.2765 1 V 3.7962 9.0353 122.0031 63.3709 33.1849 175.2993 2 K 4.3390 8.8753 125.9567 57.6449 34.3120 176.0287 3 K 4.7984 7.9891 122.2209 54.6452 34.0409 175.0052 4 V 5.0407 8.7257 127.3779 60.9699 35.0115 173.6710 5 L 5.3072 9.2671 129.7756 53.3067 44.3248 174.5552 6 L 5.0526 9.5006 130.1366 54.0776 43.5810 174.9852 7 I 5.1415 8.8327 127.5415 59.6200 40.3361 174.3724 8 N 5.4672 9.3952 124.3243 51.7491 41.6244 175.1048 9 G 4.2320 8.8674 113.9693 43.8686 0.0000 171.5679 10 P 4.4225 0.0000 0.0000 64.2188 31.9245 176.9880 11 N 4.6415 9.7605 117.6170 53.9367 38.3613 176.7736 12 L 4.3598 7.5744 117.3057 56.9144 41.8223 178.8367 13 N 4.3285 8.1506 115.3378 55.3965 37.3270 175.5629 14 L 4.3385 8.3053 118.1946 54.6315 42.3339 176.3593 15 L 4.4754 7.7526 120.6019 55.1005 41.2184 176.4782 16 G 4.0245 7.8961 107.9785 44.2631 0.0000 172.1261 17 T 4.4568 8.5611 115.0993 60.9126 69.2779 175.2597 18 R 4.1582 7.8799 121.4429 58.4835 31.6205 176.3074 *23 Y 4.5033 7.7666 114.8242 56.6082 40.3631 174.2825 24 G 4.2556 7.5316 107.1550 44.1880 0.0000 174.6751 25 T 4.0918 8.3513 109.6392 61.4687 67.0455 174.2598 26 T 4.1560 9.9163 120.4730 63.9756 68.8262 175.1665 27 S 5.1513 8.5128 123.6728 56.0896 66.2201 174.8825 28 L 3.8686 8.2179 122.8638 58.2960 41.6431 178.7657 29 S 4.1904 7.9939 112.5632 61.4284 62.3348 175.1755 30 D 4.4744 7.9352 121.5061 57.9554 40.6474 179.1949 31 I 3.5740 7.5218 119.1705 64.5335 37.1055 178.4507 32 E 3.8725 8.0450 119.1154 59.4980 29.2497 179.5190 33 Q 3.9311 8.8311 118.4321 58.7103 28.7491 178.2943 34 A 3.9591 8.1468 121.7854 55.2707 18.2649 179.2875 35 A 3.9155 7.9563 118.8342 55.5446 18.4858 179.5064 36 I 3.6128 7.6216 118.0453 64.9595 37.2873 178.2896 37 E 3.9601 8.4285 119.7364 58.9905 29.2233 178.3971 38 Q 3.9197 8.4373 120.1431 59.2220 28.5353 178.5647 39 A 4.0088 7.7414 121.1821 55.3325 18.0160 179.7202 40 K 3.9652 7.9749 116.7793 59.2520 32.0927 178.3567 41 L 4.2177 7.7540 119.3976 54.9581 42.0539 177.4902 42 K 4.4942 7.3511 114.0499 55.2781 34.0920 178.5362 43 N 4.3936 8.1445 113.9494 53.9692 37.5769 174.2675 44 N 4.9910 7.5047 114.9016 52.3852 37.8155 173.8161 45 D 4.3873 8.2775 114.9630 56.5309 38.1479 174.2333 46 S 4.7624 7.9817 113.6745 58.3643 64.7016 173.3678 47 E 4.7270 9.2471 120.8457 55.1499 33.3946 173.6697 48 V 4.8926 8.3244 124.9681 61.2185 33.4429 174.9079 49 L 4.6364 9.6174 129.2113 54.0538 43.5297 176.1198 50 V 5.0279 8.2850 114.1941 59.7509 34.9361 174.9248 51 F 4.9625 9.2943 125.8297 56.8507 43.0778 172.9025 52 Q 5.3407 7.4705 124.7546 53.9327 32.2385 173.6183 53 S 4.5966 8.1891 117.3012 57.5259 64.8749 174.1524 54 N 4.4701 8.9811 122.8305 55.3831 39.2172 175.9298 55 T 4.2984 7.7935 116.0944 62.1054 69.6684 174.3033 56 E 3.6939 8.9412 127.2100 59.5389 29.4620 178.7721 57 G 4.0194 7.9130 104.5920 48.2501 0.0000 175.0658 58 F 4.7430 8.0786 121.1931 59.9020 38.9793 177.6979 59 I 3.9192 7.9668 118.8936 64.5043 36.8838 178.6279 60 I 3.6850 7.8486 120.7325 64.2510 36.9718 178.1637 61 D 4.1844 8.5863 120.1706 57.2438 40.5703 178.7589 62 R 3.6648 8.0843 119.5258 59.3512 29.8669 178.5954 63 I 3.6310 7.5370 119.5173 64.5602 37.1975 177.9604 64 H 4.1456 8.0272 116.9911 59.0895 28.6147 177.1273 65 E 3.8773 8.5252 121.0579 59.5012 29.2791 178.7543 66 A 4.1146 8.2078 120.9141 55.0321 18.5360 179.5310 67 K 3.8681 7.8836 117.7178 59.7997 32.0912 179.1197 68 R 3.9579 7.6352 116.7220 59.2958 30.0911 178.2469 69 Q 4.3273 7.8646 115.0824 55.6224 29.0023 176.5677 70 G 3.8473 7.7122 107.8053 45.8944 0.0000 173.9991 71 V 3.7131 7.6838 119.6691 63.2988 31.5996 176.1525 72 G 4.0897 8.6647 113.8320 47.0705 0.0000 173.3411 73 F 4.8666 7.9089 121.1168 57.1663 43.0617 172.4299 74 V 4.9595 8.7823 126.1380 61.2251 34.1100 174.2798 75 V 4.8062 8.9895 128.4573 61.5757 33.1176 173.9722 76 I 4.9761 8.9452 129.2911 59.3323 40.8874 173.7852 77 N 5.2408 9.6224 128.8054 51.0047 39.6006 174.4514 78 A 4.3112 8.6517 126.2597 51.6369 19.8702 178.9004 79 G 3.8380 8.4925 107.8867 45.8484 0.0000 176.3896 80 A 4.0824 8.5640 123.6778 55.3900 18.0201 178.9035 81 Y 4.6201 7.5637 114.2787 61.0931 37.8460 178.8338 82 T 3.9866 8.2268 117.4774 66.4412 68.2845 175.2181 83 H 5.0099 8.3108 116.0820 56.3585 29.4283 175.7252 84 T 4.7789 7.9277 107.8203 61.0741 70.3910 174.3626 85 S 4.5471 8.3951 118.2275 55.7520 61.0453 174.0835 86 V 3.2495 7.5189 125.7428 65.1667 31.1550 177.2618 87 G 3.5313 7.7693 104.2957 47.7674 0.0000 175.2690 88 I 3.7851 8.0041 122.5246 64.0929 37.1567 178.3779 89 R 3.8240 7.6463 119.4905 59.6892 29.8227 178.2226 90 D 4.4309 8.4676 118.2745 56.6381 40.7116 178.5284 91 A 4.0778 7.8700 121.8502 54.7062 18.5260 179.6251 92 L 3.8634 7.6800 117.0002 57.9497 41.5842 179.4100 93 L 4.1372 7.8084 117.5932 57.9239 41.6628 179.4987 94 G 3.7993 8.1968 105.0042 47.4229 0.0000 174.8014 95 T 4.2817 8.0725 108.7380 60.1112 69.9632 174.1548 96 A 3.7306 7.7813 123.6986 53.4666 16.6924 177.2831 97 I 4.3368 7.5819 120.4578 59.7523 39.1346 174.7708 98 P 4.4981 0.0000 0.0000 62.7835 33.0189 174.8366 99 F 5.7554 7.2761 112.9204 56.4722 41.1788 172.7680 100 I 4.8321 8.7058 120.9986 59.5985 40.4847 173.9733 101 E 4.8559 8.8941 127.9936 55.3838 30.8495 174.9314 102 V 4.7182 9.1238 127.7790 61.3715 34.6401 173.8681 103 H 4.8573 8.7145 123.4282 53.9884 31.6959 174.6041 104 I 3.9501 8.7287 124.4806 63.9052 38.0537 176.2712 105 T 4.7131 7.7141 109.3839 59.3420 71.2521 173.5943 106 N 4.5320 8.3047 120.2708 52.5876 38.1369 175.7855 107 V 3.5312 8.0598 120.4905 64.2748 31.8459 178.4782 108 H 3.9699 7.7634 115.4553 57.9219 28.6507 176.2988 109 Q 4.1575 8.0579 117.8440 57.3206 29.1539 176.0881 110 R 4.6660 7.2113 117.6713 54.6314 32.3400 175.2445 111 E 3.9742 8.2526 118.4753 56.4622 30.2813 175.9649 112 P 3.3349 0.0000 0.0000 65.5724 31.4992 178.2315 113 F 4.3283 7.9451 111.2178 58.9676 37.6985 175.8221 114 R 3.8916 7.6958 119.7283 56.7522 30.2434 177.0095 115 H 4.3636 8.1037 115.1384 57.3741 29.0501 175.3080 116 Q 4.5945 7.8842 118.2401 54.0707 30.2700 174.7213 117 S 4.9019 8.2792 115.5723 56.9718 65.4262 172.9473 118 Y 4.7451 8.9255 122.4894 58.0071 38.1096 176.3183 119 L 4.7582 8.6329 122.3491 56.3460 42.1643 178.7848 120 S 4.2238 7.7880 115.5328 61.8049 62.8281 176.4000 121 D 4.3759 8.1280 116.8491 54.8807 39.5301 176.7016 122 K 4.3454 7.3326 116.2734 55.9949 33.3823 176.5309 123 A 2.6420 7.7264 122.4506 51.5510 18.7575 177.7156 124 V 3.7013 7.9926 121.1808 65.4110 31.6148 175.9648 125 A 4.7449 7.6372 119.8555 49.8642 23.3219 174.0493 126 V 4.5854 8.2246 118.1103 61.3552 33.8772 174.6301 127 I 4.6209 8.2164 129.3200 59.6857 39.4572 174.9077 128 C 4.8072 8.6974 120.9102 58.3636 32.0913 174.0917 129 G 3.9273 9.1897 112.2108 45.4633 0.0000 172.9367 130 L 4.5385 7.8868 119.0106 53.6799 43.1126 178.4872 131 G 4.0144 7.8576 106.7153 45.5364 0.0000 176.7196 132 V 3.9219 8.4058 118.2606 65.7835 31.5949 177.2515 133 Y 4.3792 8.4099 119.0663 60.1150 38.4786 177.8415 134 G 3.7794 7.9643 107.1211 48.3552 0.0000 174.8000 135 Y 4.2221 7.5539 119.6627 60.9772 37.9219 179.1855 136 T 4.1525 8.1670 116.8368 65.9616 68.6112 176.2696 137 A 3.7206 7.5412 122.1689 55.1571 18.5421 179.2444 138 A 3.9355 7.7984 119.2330 55.7988 18.2777 179.9967 139 I 3.7240 8.2107 118.4018 64.1376 36.9096 178.4053 140 E 3.8990 8.0897 119.0019 59.6329 29.6569 178.3198 141 Y 4.0346 8.0611 119.0917 60.6119 38.6748 178.0861 142 A 2.8227 7.6297 121.1055 54.7426 18.2033 179.1405 143 L 4.3758 7.5534 112.8949 55.5242 41.3801 177.2155 144 N 4.8943 7.4864 114.6611 52.8238 40.1474 173.4870 145 Y 4.4179 7.4988 120.0484 55.6834 40.4191 175.7306 146 Q 4.0474 7.7515 122.3899 56.3723 28.6934 176.6556 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 -1 Q 8.34 4.26 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.01 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 0 L 7.57 4.63 0.00 1.76 1.57 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 1 V 9.04 3.80 2.25 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 0.93 0.00 0.00 1.26 0.00 0.00 2 K 8.88 4.34 0.00 1.74 1.84 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.38 7.81 3 K 7.99 4.80 0.00 1.89 1.70 0.00 1.56 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.50 7.81 4 V 8.73 5.04 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.96 0.00 0.00 5 L 9.27 5.31 0.00 1.77 1.55 1.02 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.50 5.05 0.00 1.83 1.70 1.13 0.12 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 7 I 8.83 5.14 1.96 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 1.36 0.71 1.08 0.00 0.00 8 N 9.40 5.47 0.00 2.66 2.70 0.00 0.00 6.52 7.25 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 9 G 8.87 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 0.00 0.00 0.00 0.00 10 P 0.00 4.42 0.00 1.97 2.09 0.00 3.53 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.44 0.00 11 N 9.76 4.64 0.00 2.87 3.05 0.00 0.00 7.09 6.70 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 12 L 7.57 4.36 0.00 1.91 1.75 1.06 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.15 4.33 0.00 2.79 3.08 0.00 0.00 6.06 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 14 L 8.31 4.34 0.00 1.77 1.71 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.75 4.48 0.00 1.84 1.80 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.90 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 17 T 8.56 4.46 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 1.18 0.00 0.00 18 R 7.88 4.16 0.00 1.74 1.93 0.00 3.28 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 *23 Y 7.77 4.50 0.00 3.05 3.04 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 24 G 7.53 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 25 T 8.35 4.09 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 1.15 0.00 0.00 26 T 9.92 4.16 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 1.23 0.00 0.00 27 S 8.51 5.15 0.00 4.05 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 28 L 8.22 3.87 0.00 1.93 1.66 0.83 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.99 4.19 0.00 3.89 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 30 D 7.94 4.47 0.00 2.99 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 31 I 7.52 3.57 1.76 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 1.45 0.92 0.05 0.00 0.00 32 E 8.04 3.87 0.00 2.13 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 2.26 2.32 0.00 33 Q 8.83 3.93 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 34 A 8.15 3.96 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 35 A 7.96 3.92 1.39 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 36 I 7.62 3.61 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.87 0.91 0.00 0.00 37 E 8.43 3.96 0.00 2.18 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 2.31 2.37 0.00 38 Q 8.44 3.92 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 39 A 7.74 4.01 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 40 K 7.97 3.97 0.00 1.84 1.89 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.65 7.81 41 L 7.75 4.22 0.00 1.99 1.69 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.35 4.49 0.00 1.86 1.74 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.51 7.81 43 N 8.14 4.39 0.00 2.91 2.95 0.00 0.00 6.67 7.88 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 44 N 7.50 4.99 0.00 2.72 2.94 0.00 0.00 6.95 8.21 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 45 D 8.28 4.39 0.00 2.86 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 7.98 4.76 0.00 3.75 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 47 E 9.25 4.73 0.00 1.98 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 2.22 2.27 0.00 48 V 8.32 4.89 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 0.89 0.00 0.00 0.95 0.00 0.00 49 L 9.62 4.64 0.00 1.54 1.59 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.29 5.03 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 0.69 0.00 0.00 0.95 0.00 0.00 51 F 9.29 4.96 0.00 3.04 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 52 Q 7.47 5.34 0.00 1.91 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.44 0.00 0.00 0.00 0.00 0.00 2.39 2.06 0.00 53 S 8.19 4.60 0.00 3.87 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 54 N 8.98 4.47 0.00 2.76 2.85 0.00 0.00 6.96 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 55 T 7.79 4.30 3.63 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 0.33 0.00 0.00 56 E 8.94 3.69 0.00 1.28 1.65 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 2.09 1.71 0.00 57 G 7.91 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 58 F 8.08 4.74 0.00 3.34 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 59 I 7.97 3.92 2.12 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.06 0.99 0.00 0.00 60 I 7.85 3.69 1.97 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.60 0.76 0.00 0.00 61 D 8.59 4.18 0.00 2.76 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 62 R 8.08 3.66 0.00 0.95 1.53 0.00 2.81 0.00 0.00 2.56 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.28 0.00 63 I 7.54 3.63 1.93 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.16 0.90 0.00 0.00 64 H 8.03 4.15 0.00 3.25 3.32 0.00 5.66 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.53 3.88 0.00 1.96 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 2.24 2.34 0.00 66 A 8.21 4.11 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 67 K 7.88 3.87 0.00 1.85 1.98 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.52 7.81 68 R 7.64 3.96 0.00 1.99 1.98 0.00 3.20 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 69 Q 7.86 4.33 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.36 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 70 G 7.71 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 71 V 7.68 3.71 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 0.88 0.00 0.00 0.97 0.00 0.00 72 G 8.66 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 73 F 7.91 4.87 0.00 3.05 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 74 V 8.78 4.96 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 1.06 0.00 0.00 0.95 0.00 0.00 75 V 8.99 4.81 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.07 0.00 0.00 76 I 8.95 4.98 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.54 0.91 0.00 0.00 77 N 9.62 5.24 0.00 2.79 2.89 0.00 0.00 6.97 7.55 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 78 A 8.65 4.31 1.39 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 79 G 8.49 3.84 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 80 A 8.56 4.08 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 81 Y 7.56 4.62 0.00 3.23 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 82 T 8.23 3.99 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 1.28 0.00 0.00 83 H 8.31 5.01 0.00 3.32 3.50 0.00 5.59 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.93 4.78 4.35 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 1.35 0.00 0.00 85 S 8.40 4.55 0.00 3.67 3.84 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 86 V 7.52 3.25 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 0.89 0.00 0.00 -0.20 0.00 0.00 87 G 7.77 3.53 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 0.00 0.00 0.00 88 I 8.00 3.79 1.82 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 1.36 0.60 0.81 0.00 0.00 89 R 7.65 3.82 0.00 2.08 2.05 0.00 3.10 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 90 D 8.47 4.43 0.00 2.97 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 91 A 7.87 4.08 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 92 L 7.68 3.86 0.00 1.68 1.71 -0.32 0.49 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 93 L 7.81 4.14 0.00 1.65 1.76 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.20 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 95 T 8.07 4.28 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 1.22 0.00 0.00 96 A 7.78 3.73 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.58 4.34 1.86 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 1.47 0.84 0.87 0.00 0.00 98 P 0.00 4.50 0.00 0.95 1.87 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 99 F 7.28 5.76 0.00 3.10 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 0.00 100 I 8.71 4.83 2.04 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.20 0.89 0.00 0.00 101 E 8.89 4.86 0.00 2.26 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 102 V 9.12 4.72 1.70 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 0.19 0.00 0.00 0.77 0.00 0.00 103 H 8.71 4.86 0.00 3.01 3.18 0.00 5.68 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.73 3.95 1.93 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.90 0.99 0.00 0.00 105 T 7.71 4.71 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 1.24 0.00 0.00 106 N 8.30 4.53 0.00 2.77 2.75 0.00 0.00 6.88 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 0.00 107 V 8.06 3.53 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 0.45 0.00 0.00 0.57 0.00 0.00 108 H 7.76 3.97 0.00 3.08 3.24 0.00 5.70 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.06 4.16 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.62 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 110 R 7.21 4.67 0.00 1.84 1.71 0.00 3.11 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 111 E 8.25 3.97 0.00 1.24 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 2.42 2.31 0.00 112 P 0.00 3.33 0.00 2.10 1.98 0.00 3.52 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 113 F 7.95 4.33 0.00 3.07 3.20 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 0.00 114 R 7.70 3.89 0.00 1.56 1.72 0.00 2.90 0.00 0.00 3.09 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.00 115 H 8.10 4.36 0.00 3.21 3.37 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.88 4.59 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 117 S 8.28 4.90 0.00 3.81 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 0.00 118 Y 8.93 4.75 0.00 3.03 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 0.00 119 L 8.63 4.76 0.00 1.94 2.00 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 120 S 7.79 4.22 0.00 4.10 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 0.00 121 D 8.13 4.38 0.00 2.81 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 0.00 122 K 7.33 4.35 0.00 1.98 1.95 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.60 7.81 123 A 7.73 2.64 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 0.00 124 V 7.99 3.70 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 0.81 0.00 0.00 0.80 0.00 0.00 125 A 7.64 4.74 0.96 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 0.00 126 V 8.22 4.59 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 0.97 0.00 0.00 127 I 8.22 4.62 1.77 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.44 0.84 0.00 0.00 128 C 8.70 4.81 0.00 2.97 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 9.19 3.93 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 0.00 0.00 0.00 130 L 7.89 4.54 0.00 1.62 1.78 1.02 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.86 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 0.00 132 V 8.41 3.92 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 1.15 0.00 0.00 1.08 0.00 0.00 133 Y 8.41 4.38 0.00 3.11 3.23 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 0.00 134 G 7.96 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 0.00 135 Y 7.55 4.22 0.00 3.07 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 0.00 136 T 8.17 4.15 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 1.22 0.00 0.00 137 A 7.54 3.72 0.94 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 0.00 0.00 138 A 7.80 3.94 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 0.00 139 I 8.21 3.72 2.01 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 1.55 0.60 0.90 0.00 0.00 140 E 8.09 3.90 0.00 2.08 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 2.35 2.48 0.00 141 Y 8.06 4.03 0.00 2.99 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 0.00 142 A 7.63 2.82 0.81 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 0.00 0.00 143 L 7.55 4.38 0.00 1.76 1.66 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 144 N 7.49 4.89 0.00 2.70 2.57 0.00 0.00 6.76 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 0.00 145 Y 7.50 4.42 0.00 2.92 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 0.00 146 Q 7.75 4.05 0.00 1.50 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.42 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.