NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6364 8.1933 115.3993 57.6376 64.5469 174.3082 2 L 4.2846 8.3486 121.3162 57.8780 41.3942 178.7883 3 I 3.8116 8.6117 121.0463 64.4187 37.5113 177.9892 4 Q 4.0718 7.6445 118.6757 58.8594 28.6996 178.2208 5 F 4.5853 8.8833 122.2284 61.6180 39.5522 176.8102 6 E 3.7654 8.5219 118.8561 59.5636 29.5447 178.8943 7 T 4.1445 7.8964 115.3892 66.1911 68.4884 177.0000 8 L 4.0250 8.3170 121.6975 57.5632 41.5793 179.4761 9 I 3.7360 7.6170 119.5861 64.6000 36.9196 178.4033 10 M 4.6332 7.5826 119.8147 57.7606 31.5416 179.0778 11 K 3.9793 7.7846 117.5569 59.3145 32.3627 179.2646 12 V 3.8143 7.9039 117.4004 65.5220 31.8075 177.2260 13 V 3.8012 7.8845 116.0636 62.8282 32.0374 175.4415 14 K 4.5392 7.8800 116.7780 55.9629 29.4098 174.1510 15 K 4.6393 7.3886 115.4591 54.1727 36.9164 175.5321 16 S 4.8887 9.0036 114.8046 57.8773 63.2835 174.9581 17 G 3.8878 8.7359 116.6192 47.9281 0.0000 174.9479 18 M 4.0330 7.9335 119.3465 57.5765 32.3736 177.0999 19 F 4.8715 7.3016 114.0405 57.0388 39.7351 176.0803 20 W 5.0879 7.9554 115.7251 56.6738 31.1661 175.7155 21 Y 4.9372 8.6106 112.9788 57.6032 38.9391 175.7638 22 S 4.7553 8.5645 112.7829 58.3782 63.7856 174.8609 23 A 4.3580 7.2457 124.5556 50.9494 19.0352 175.0610 24 Y 4.8979 8.3512 122.0155 58.0272 41.3545 175.6909 25 G 3.5314 7.9844 115.7684 47.2118 0.0000 173.5405 26 C 4.6584 9.1354 115.5504 57.4123 41.3567 174.4559 27 Y 4.1966 8.6064 114.9635 57.7285 39.9332 175.1844 28 C 4.6620 8.6245 117.5540 58.7884 39.1581 173.5285 29 G 4.2665 8.2959 112.0220 43.1485 0.0000 170.1546 30 W 3.9528 8.3375 130.8304 58.2795 31.6189 176.5977 31 G 3.8379 7.5610 113.4119 45.7106 0.0000 171.6098 32 G 4.0272 7.7262 112.7043 42.7841 0.0000 170.8860 33 H 4.4423 7.2534 120.3125 56.2565 33.3559 175.0940 34 G 4.0042 8.3502 108.9462 45.4620 0.0000 172.3695 35 R 4.8941 8.2297 119.6267 53.3749 32.9638 173.9630 36 P 4.6899 0.0000 0.0000 63.0700 31.7601 176.8391 37 Q 4.0914 9.3297 122.1967 57.6167 29.4642 175.1536 38 D 4.4417 7.1309 115.0131 51.7018 41.7149 175.1257 39 A 4.0097 8.7539 119.3865 56.2152 17.9347 180.0962 40 T 4.0779 8.0348 113.8579 66.9361 68.5917 176.3069 41 D 4.6038 9.0334 120.4215 57.3214 41.1654 178.2786 42 R 3.9708 8.1428 119.4787 59.3161 30.0228 177.6976 43 C 4.2137 8.2873 116.5384 60.3663 40.3376 175.5614 44 C 4.3641 8.2254 117.3965 59.8110 40.9545 175.8725 45 F 3.6430 8.2042 122.3894 61.2085 38.8335 177.4026 46 V 3.3620 8.2029 118.2731 66.0742 31.2537 177.4820 47 H 3.7521 7.9777 118.0922 59.1268 29.5384 177.0325 48 D 4.1183 8.1008 120.9557 57.5503 40.4127 178.1949 49 C 4.1164 7.5187 115.9106 59.6571 37.6782 175.1786 50 C 4.2646 8.0294 120.5448 59.9286 41.3931 175.1929 51 Y 4.2004 7.9913 118.4702 60.9214 37.1892 178.3666 52 G 3.7971 7.7936 104.2190 45.7802 0.0000 174.1485 53 K 4.3361 7.5201 119.0612 55.8979 32.7367 176.1397 54 V 3.9558 7.2731 119.8815 62.0402 31.5096 175.2940 55 T 4.4948 8.3677 123.8450 62.6867 71.1070 174.0781 56 G 4.0491 9.2523 112.9135 45.0440 0.0000 171.6611 57 C 4.7128 7.3581 112.2056 55.1643 44.8629 172.5054 58 D 4.7213 9.4399 121.5369 51.6792 40.9804 175.2452 59 P 4.0172 0.0000 0.0000 64.7649 31.7919 177.5204 60 K 4.3026 8.1100 118.3629 58.2581 32.8621 178.0733 61 M 4.3543 7.7660 115.9589 56.2696 33.3418 176.7261 62 D 4.4925 8.0259 118.4490 54.2714 41.5104 175.7349 63 S 4.6853 8.4376 119.3690 57.0450 64.4803 173.0189 64 Y 4.9248 7.8395 122.0781 55.4544 40.7936 174.4686 65 T 4.9488 8.2298 115.0121 62.3828 71.9629 173.1062 66 Y 5.3468 7.7467 120.1017 56.5029 40.9520 173.2339 67 S 4.8355 9.1553 115.0322 56.8875 67.3991 172.0738 68 E 4.8756 8.9972 120.8139 55.6955 31.7814 176.8221 *69 E 4.4108 8.9657 122.6660 54.8656 30.6612 172.8938 70 N 4.0160 9.0358 124.5902 53.7888 35.0902 175.8333 71 G 3.9048 8.5900 105.2681 46.6468 0.0000 173.8253 *72 D 5.1351 7.5254 118.5130 51.7644 43.9440 179.2422 73 I 4.9072 8.2360 119.8707 60.7789 38.5971 175.7009 74 V 4.5149 8.5293 120.0738 59.6606 34.6246 174.5117 75 C 4.9749 8.8860 122.6632 56.3335 41.2990 173.6639 76 G 3.8770 9.1922 111.1713 46.3016 0.0000 173.9266 77 G 4.0935 8.7268 111.9624 45.2321 0.0000 174.1787 78 D 4.3852 8.3194 119.9995 57.1474 40.9633 176.4000 79 D 4.6800 7.8817 120.9893 52.1063 41.5859 174.6374 80 P 4.2633 0.0000 0.0000 66.0910 31.9320 179.0723 81 C 4.3966 8.2125 117.3351 59.7466 42.2169 175.8159 82 K 3.8964 8.1947 119.3048 59.1199 31.6779 179.1092 83 R 3.9204 7.7928 119.4699 58.9872 29.8052 178.0350 84 E 3.9334 7.9222 118.9648 58.9105 29.6675 178.8964 85 I 3.6717 7.4097 119.6537 64.3357 37.2527 178.5924 86 C 2.9294 7.6497 119.2642 59.2793 43.6745 175.4158 87 E 3.5592 7.9739 120.0685 59.4721 28.8450 178.7776 88 C 4.1191 7.7410 116.5557 60.1005 40.7627 175.9862 89 D 3.8716 7.7363 119.9147 57.0339 40.4155 178.7089 90 R 3.7841 8.4671 120.0766 59.5960 30.1140 178.8057 91 V 3.5143 7.9231 117.8593 65.7351 31.4339 177.8942 92 A 3.5897 7.6355 120.6706 54.7069 18.2935 179.3783 93 A 3.8974 8.1098 119.5038 55.5665 18.5062 179.7024 94 D 4.3172 8.0072 117.3257 57.4398 40.5892 178.2022 95 C 4.2574 7.6456 118.5189 59.5413 42.5581 175.3585 96 F 4.6373 7.8989 119.5236 60.5462 38.1691 177.6726 97 R 3.9494 7.9564 117.9129 59.6170 29.7571 178.2817 98 D 4.5111 8.1908 116.8674 56.1554 41.0301 177.3540 99 N 4.9673 7.6237 115.2178 53.0208 39.0924 176.3960 100 L 4.1184 7.7507 123.7040 57.6998 41.3766 179.0248 101 D 4.4751 8.2524 117.5195 55.5332 39.4426 176.9087 102 T 4.5108 7.7498 107.4580 60.8622 69.3815 173.2697 103 Y 4.0190 7.7554 123.6833 58.6911 39.4480 176.1824 104 N 5.0204 8.9855 126.6827 51.4916 39.0596 174.8751 105 S 4.2981 7.5064 116.6565 61.2554 63.4778 176.1119 106 D 4.4341 8.1900 121.5605 56.8595 40.5185 177.6146 107 T 4.1763 7.4500 113.7986 65.0559 70.0481 175.5391 108 Y 4.3048 7.1464 116.0422 56.3752 38.1096 175.1258 109 W 4.5388 7.7126 131.4718 58.3521 31.5772 176.1038 110 R 3.5336 7.8639 125.3070 57.0080 27.7119 176.4208 111 Y 4.2762 7.8558 117.1318 56.8377 39.8740 173.5004 112 P 4.1314 0.0000 0.0000 63.0423 32.1732 177.4733 113 R 3.9355 8.6500 121.4430 59.2105 30.2204 178.9483 114 Q 4.2040 7.8755 114.6061 58.7653 28.6154 177.0089 115 D 4.5412 7.7332 117.2986 55.8405 41.0538 176.0690 116 C 5.0874 7.8139 116.8412 56.6930 40.8496 174.9693 117 E 3.9633 8.2589 120.8764 58.1842 29.7196 177.0889 118 E 4.1404 8.2154 120.6116 56.7280 30.1457 176.7236 *119 S 4.3760 8.3687 117.1878 56.8720 62.9647 172.8865 120 P 5.3611 0.0000 0.0000 61.3884 31.5618 176.0401 121 E 4.1983 8.5395 119.3841 55.3752 30.0845 175.4299 122 P 4.5203 0.0000 0.0000 62.8249 32.1833 177.1014 123 C 4.4169 8.5996 115.8997 57.4535 41.1660 173.7619 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 S 8.19 4.64 0.00 4.13 4.30 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 2 L 8.35 4.28 0.00 1.90 2.05 1.37 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.61 3.81 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.18 0.94 0.00 0.00 4 Q 7.64 4.07 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.26 0.00 5 F 8.88 4.59 0.00 3.33 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.52 3.77 0.00 2.33 2.13 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 2.27 2.29 0.00 7 T 7.90 4.14 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 8 L 8.32 4.03 0.00 2.09 1.77 0.33 0.61 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 9 I 7.62 3.74 1.88 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.53 0.81 0.00 0.00 10 M 7.58 4.63 0.00 2.19 2.14 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 2.89 2.63 0.00 11 K 7.78 3.98 0.00 1.97 1.89 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.59 7.81 12 V 7.90 3.81 2.18 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 0.76 0.00 0.00 0.94 0.00 0.00 13 V 7.88 3.80 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 0.86 0.00 0.00 1.03 0.00 0.00 14 K 7.88 4.54 0.00 1.94 1.87 0.00 1.85 0.00 0.00 2.37 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.41 7.81 15 K 7.39 4.64 0.00 1.82 1.82 0.00 1.19 0.00 0.00 0.94 0.00 0.00 2.52 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.39 1.33 7.81 16 S 9.00 4.89 0.00 4.08 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 17 G 8.74 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 18 M 7.93 4.03 0.00 1.29 1.83 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 2.32 1.87 0.00 19 F 7.30 4.87 0.00 2.76 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 W 7.96 5.09 0.00 3.32 2.33 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 21 Y 8.61 4.94 0.00 3.00 2.74 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 22 S 8.56 4.76 0.00 4.05 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 23 A 7.25 4.36 0.44 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 0.00 0.00 24 Y 8.35 4.90 0.00 3.28 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 25 G 7.98 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 26 C 9.14 4.66 0.00 3.26 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.61 4.20 0.00 3.34 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 28 C 8.62 4.66 0.00 3.49 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.30 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 0.00 0.00 0.00 0.00 30 W 8.34 3.95 0.00 3.47 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 31 G 7.56 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 32 G 7.73 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 7.25 4.44 0.00 3.01 3.13 0.00 5.77 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 34 G 8.35 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 0.00 0.00 0.00 35 R 8.23 4.89 0.00 1.80 1.78 0.00 3.19 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.78 0.00 36 P 0.00 4.69 0.00 1.87 2.05 0.00 3.38 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.45 0.00 37 Q 9.33 4.09 0.00 0.95 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.53 0.00 0.00 0.00 0.00 0.00 2.32 1.91 0.00 38 D 7.13 4.44 0.00 2.83 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.75 4.01 1.44 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 0.00 0.00 40 T 8.03 4.08 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 1.10 0.00 0.00 41 D 9.03 4.60 0.00 3.03 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 42 R 8.14 3.97 0.00 2.02 2.07 0.00 3.13 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 43 C 8.29 4.21 0.00 3.45 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 C 8.23 4.36 0.00 3.42 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.20 3.64 0.00 2.39 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 46 V 8.20 3.36 2.15 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 0.91 0.00 0.00 1.05 0.00 0.00 47 H 7.98 3.75 0.00 3.13 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.10 4.12 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 C 7.52 4.12 0.00 2.79 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 50 C 8.03 4.26 0.00 2.97 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 51 Y 7.99 4.20 0.00 2.94 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.79 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 53 K 7.52 4.34 0.00 1.70 1.78 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.48 7.81 54 V 7.27 3.96 2.15 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 0.72 0.00 0.00 0.91 0.00 0.00 55 T 8.37 4.49 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 56 G 9.25 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 0.00 0.00 0.00 57 C 7.36 4.71 0.00 3.27 3.02 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 58 D 9.44 4.72 0.00 2.61 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.02 0.00 0.49 1.56 0.00 3.66 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.84 0.00 60 K 8.11 4.30 0.00 1.88 2.02 0.00 1.78 0.00 0.00 2.19 0.00 0.00 2.87 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.67 1.44 7.81 61 M 7.77 4.35 0.00 1.98 2.24 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 62 D 8.03 4.49 0.00 2.85 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.44 4.69 0.00 3.80 3.66 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 64 Y 7.84 4.92 0.00 3.08 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 65 T 8.23 4.95 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 1.19 0.00 0.00 66 Y 7.75 5.35 0.00 3.11 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 9.16 4.84 0.00 3.89 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 68 E 9.00 4.88 0.00 1.87 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 0.00 2.35 2.38 0.00 *69 E 8.97 4.41 0.00 1.88 1.84 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 2.14 2.11 0.00 70 N 9.04 4.02 0.00 2.90 3.00 0.00 0.00 7.15 7.65 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 71 G 8.59 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 *72 D 7.53 5.14 0.00 2.39 2.50 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 73 I 8.24 4.91 1.85 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 1.35 1.21 0.86 0.00 0.00 74 V 8.53 4.51 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 0.75 0.00 0.00 0.98 0.00 0.00 75 C 8.89 4.97 0.00 2.82 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 76 G 9.19 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 77 G 8.73 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 78 D 8.32 4.39 0.00 2.69 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 79 D 7.88 4.68 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.26 0.00 2.07 2.10 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 81 C 8.21 4.40 0.00 2.96 3.07 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 82 K 8.19 3.90 0.00 1.90 1.99 0.00 1.87 0.00 0.00 2.04 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.53 7.81 83 R 7.79 3.92 0.00 2.02 2.00 0.00 3.07 0.00 0.00 3.06 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 84 E 7.92 3.93 0.00 2.09 1.94 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 2.25 2.30 0.00 85 I 7.41 3.67 2.10 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 0.95 1.02 0.00 0.00 86 C 7.65 2.93 0.00 1.95 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 7.97 3.56 0.00 2.14 1.89 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 2.42 2.43 0.00 88 C 7.74 4.12 0.00 3.13 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 89 D 7.74 3.87 0.00 2.81 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 90 R 8.47 3.78 0.00 1.82 1.81 0.00 3.05 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 91 V 7.92 3.51 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 0.85 0.00 0.00 0.89 0.00 0.00 92 A 7.64 3.59 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 93 A 8.11 3.90 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 94 D 8.01 4.32 0.00 2.73 2.68 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 0.00 0.00 0.00 0.00 95 C 7.65 4.26 0.00 3.02 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 96 F 7.90 4.64 0.00 3.13 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 97 R 7.96 3.95 0.00 1.93 2.09 0.00 3.10 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 98 D 8.19 4.51 0.00 2.71 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 N 7.62 4.97 0.00 2.96 2.90 0.00 0.00 6.82 6.62 0.00 0.00 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 L 7.75 4.12 0.00 1.68 1.69 0.87 0.71 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 0.00 101 D 8.25 4.48 0.00 2.80 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 T 7.75 4.51 4.32 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 1.26 0.00 0.00 103 Y 7.76 4.02 0.00 2.91 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 0.00 104 N 8.99 5.02 0.00 2.94 2.82 0.00 0.00 6.51 7.18 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 0.00 105 S 7.51 4.30 0.00 4.43 4.34 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 0.00 106 D 8.19 4.43 0.00 2.64 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 0.00 107 T 7.45 4.18 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 0.51 0.00 0.00 108 Y 7.15 4.30 0.00 1.63 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 7.71 4.54 0.00 3.57 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 0.00 110 R 7.86 3.53 0.00 1.95 1.90 0.00 3.28 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.95 0.00 111 Y 7.86 4.28 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 0.00 112 P 0.00 4.13 0.00 2.07 1.83 0.00 3.02 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.02 0.00 113 R 8.65 3.94 0.00 1.86 1.94 0.00 3.13 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 114 Q 7.88 4.20 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.08 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 115 D 7.73 4.54 0.00 2.54 2.79 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 0.00 116 C 7.81 5.09 0.00 2.92 3.25 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 0.00 117 E 8.26 3.96 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 2.26 2.46 0.00 118 E 8.22 4.14 0.00 2.06 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 2.42 2.35 0.00 *119 S 8.37 4.38 0.00 3.63 3.65 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 0.00 120 P 0.00 5.36 0.00 2.40 2.30 0.00 3.28 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 2.04 1.99 0.00 121 E 8.54 4.20 0.00 1.66 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 2.21 2.11 0.00 122 P 0.00 4.52 0.00 2.21 2.09 0.00 3.79 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 2.03 2.01 0.00 123 C 8.60 4.42 0.00 2.91 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 * Residues marked with a * may have inaccurate shift predictions.