NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.3790 8.1849 120.6333 54.6385 43.3172 176.9012 5 T 4.0311 8.3133 118.0889 62.0431 70.3867 172.3991 6 E 4.0144 9.1677 126.5589 60.5553 30.0416 179.7650 7 E 4.0065 8.1622 117.4244 61.0569 29.8488 180.5343 8 Q 4.0878 8.1042 118.4590 59.0752 28.8617 179.0685 9 I 4.0800 8.3587 120.8072 64.4513 37.0879 178.1968 10 A 4.0602 8.2940 121.6877 55.4160 18.2293 179.5835 11 E 3.9218 8.3160 116.8966 59.6411 29.4287 179.6617 12 F 4.8538 8.3131 117.8015 60.3874 38.9610 177.7082 13 K 3.5083 8.4944 119.6334 59.4396 31.7429 178.6650 14 E 3.9923 7.8962 117.2337 59.3015 29.7476 178.9671 15 A 4.3315 8.1809 120.6947 55.3090 18.5308 179.4124 16 F 3.3871 8.6463 119.4789 61.4101 39.1566 177.5058 17 S 4.1834 8.1616 113.5432 61.2201 62.6166 176.2918 18 L 4.0518 7.6176 120.6697 56.7616 41.3232 178.6958 19 F 4.4298 7.8017 116.4828 59.0603 41.3472 177.0780 20 D 4.6697 7.7632 119.9064 53.4645 37.6188 176.5883 21 K 4.0500 7.9512 121.6462 58.3384 32.9160 177.8450 22 D 4.5584 7.9608 115.7236 52.4740 39.5868 176.5458 23 G 4.0203 7.7422 107.1299 46.8687 0.0000 174.2876 24 D 4.4943 8.3005 117.1803 53.2736 39.8340 177.3039 25 G 4.1667 9.5042 109.2654 45.4396 0.0000 173.2778 26 T 5.2188 7.9957 108.4533 59.9420 72.1956 173.3234 27 I 4.5793 9.0201 125.1692 60.3397 39.1969 175.4521 28 T 4.8128 8.5692 117.3358 60.0093 71.4002 175.7739 29 T 3.8913 8.5099 112.1424 64.8810 68.4694 176.3242 30 K 3.9451 7.9679 121.8910 59.3558 32.2360 178.4990 31 E 3.9901 8.1944 118.9604 59.2527 29.3235 179.1842 32 L 4.2621 8.1981 120.5802 58.1416 42.1536 179.0997 33 G 3.7130 8.4607 106.0908 48.1376 0.0000 175.6424 34 T 3.8583 8.0706 117.9822 66.4006 68.3580 176.8477 35 V 3.4946 7.4990 120.0323 66.3080 31.6781 177.7763 36 M 4.0765 8.1673 118.4027 58.7485 31.7641 179.1068 37 R 4.8142 8.7019 119.9586 58.6981 29.9431 179.2360 38 S 4.0690 7.8719 112.9852 61.2473 63.0183 175.2274 39 L 4.0471 7.4948 118.2752 55.1259 41.3057 177.6861 40 G 3.8970 8.3230 107.7657 45.3166 0.0000 173.7975 41 Q 4.4286 7.6775 118.3794 55.0185 30.4403 174.7712 42 N 5.3022 8.0925 116.4246 51.3468 38.8137 172.1553 43 P 4.5690 0.0000 0.0000 62.2568 32.9149 177.9920 44 T 4.1365 8.6192 112.4328 61.5604 70.7666 175.4688 45 E 3.9742 8.6710 120.5940 59.4996 29.4519 179.5155 46 A 4.0298 7.9309 120.4010 55.0966 18.4627 179.3755 47 E 3.9286 8.1889 117.1271 59.6204 29.5603 179.5819 48 L 3.9956 8.0533 119.0050 57.7695 41.6443 179.3453 49 Q 3.9639 8.2204 119.6186 59.0724 28.8320 177.8931 50 D 4.2791 8.2601 119.0708 57.5996 41.0991 178.1271 51 M 4.0711 7.9647 117.9081 58.4603 32.2909 178.4539 52 I 3.8225 7.8479 119.8903 64.5304 36.9931 177.9481 53 N 4.3178 8.1364 117.6581 56.7294 38.4148 176.5180 54 E 3.9354 7.7389 119.5291 59.1345 29.6630 178.7865 55 V 4.0869 7.5913 115.9363 63.2928 33.3227 176.6731 56 D 4.6114 7.4758 118.6076 52.6351 38.6844 175.8150 57 A 3.9349 8.1504 126.7147 54.7499 18.7699 178.8000 58 D 4.4842 8.6091 112.0624 53.1062 39.8944 177.0040 59 G 3.9436 8.0491 107.7986 46.5938 0.0000 174.4800 60 N 4.4484 8.3259 115.7627 53.4393 37.4518 176.0300 61 G 4.0223 9.5032 108.7024 45.1655 0.0000 172.8812 62 T 4.8700 7.6126 107.6348 60.0605 72.7571 173.1071 63 I 4.8327 8.8326 122.9844 59.7914 39.3724 175.7882 64 D 5.2629 8.9609 127.0935 52.0854 41.7462 177.5446 65 F 3.5335 8.5922 120.0367 60.8457 39.1213 174.9710 66 P 3.8946 0.0000 0.0000 65.7202 31.0928 178.3979 67 E 3.8997 8.7895 117.5609 59.1622 29.2039 179.2319 68 F 4.0644 8.2428 120.7375 61.1883 39.4564 177.1297 69 L 3.4820 8.2052 118.9993 57.9151 41.1372 179.4104 70 T 3.7153 7.4975 114.3300 66.9563 68.7382 175.4685 71 M 3.9385 7.6158 119.7383 59.2983 31.6218 178.1507 72 M 3.8895 7.3044 117.8889 57.5023 31.9189 178.2159 73 A 4.0235 8.0716 121.2626 54.1540 18.3691 177.4050 74 R 4.3320 7.1141 109.2214 57.5740 31.4120 176.8786 75 K 3.8246 7.7846 121.0945 56.5907 32.7813 177.5413 *82 E 4.4828 8.7148 118.3914 56.6876 32.3520 179.7679 83 E 4.0973 8.2815 116.8322 61.6796 29.6645 183.0116 84 E 4.3075 8.1788 119.4318 59.1857 29.5595 179.3367 85 I 3.9622 7.8662 119.5064 64.5649 37.2748 178.5576 86 R 4.2751 8.5778 119.1871 59.1782 29.6267 178.9614 87 E 4.0196 8.1300 117.4891 59.3613 29.7196 178.7916 88 A 4.3461 8.4926 121.0010 55.2907 18.5238 179.1120 89 F 3.1014 8.7448 119.3545 61.6386 39.1685 177.6703 90 R 3.9765 8.0218 115.7425 59.0923 29.8284 178.9844 91 V 3.6317 7.3860 117.3782 65.7889 31.5599 177.9371 92 F 4.0259 7.7967 115.8874 60.0385 40.6004 176.6633 93 D 4.4777 8.0097 119.0825 53.1898 37.0690 176.7955 94 K 3.9218 7.7715 121.1919 58.8208 32.8482 178.0044 95 D 4.6107 8.0718 116.1818 52.3067 39.5391 176.6824 96 G 3.9615 8.0198 106.9789 46.8597 0.0000 174.2897 97 N 4.5849 8.4225 114.4408 52.5874 37.5859 176.1119 98 G 3.9690 9.6325 108.5813 45.5887 0.0000 172.4629 99 Y 5.1652 8.0067 116.2966 56.2265 41.9232 174.9310 100 I 4.4830 9.2126 125.7644 60.5256 38.5732 175.8738 101 S 4.8848 9.0522 122.3669 57.0972 65.0734 175.2180 102 A 3.9964 8.8592 121.9229 55.5444 17.9519 179.6917 103 A 3.9874 8.0480 118.4552 55.5968 18.5844 179.6243 104 E 3.9944 8.1290 116.8155 59.2282 29.4407 179.3882 105 L 4.2322 8.2088 120.5185 58.3341 42.2253 178.7782 106 R 3.9252 8.5171 119.0971 59.7717 29.9669 177.8162 107 H 4.0766 8.3151 117.8230 59.3782 29.9173 177.4810 108 V 3.4487 7.6651 119.5978 65.9481 31.3046 177.3611 109 M 3.9915 8.4158 118.4639 59.2688 32.0625 178.2155 110 T 3.9619 8.1679 112.9520 64.9479 67.2641 176.0187 111 N 4.3469 7.8914 117.7459 56.2302 38.6904 176.6891 112 L 4.2303 7.8051 117.8864 54.9635 41.7866 177.6081 113 G 3.8936 7.7929 107.0296 46.4095 0.0000 175.0696 114 E 3.9975 8.2914 121.8695 57.0137 29.5554 177.9121 115 K 3.9239 8.1854 115.2461 57.0804 29.5718 175.6401 116 L 4.3064 7.8512 117.9845 54.7577 42.2748 177.8966 117 T 4.2195 8.7191 112.8671 61.4112 70.8808 175.5345 118 D 4.3695 8.6330 121.7346 57.8181 40.8267 179.0675 119 E 3.9999 8.1357 118.4577 59.4781 29.4477 179.1218 120 E 4.0667 8.0444 118.2255 59.0818 29.6018 179.1833 121 V 3.5858 8.1237 118.7236 66.3216 31.6349 177.5551 122 D 4.4320 8.4307 118.8105 57.7758 40.6778 179.0013 123 E 3.9942 8.6443 119.1414 59.5776 29.2378 179.3525 124 M 4.0474 8.2974 118.8260 58.3923 31.9762 178.7999 125 I 3.7379 7.8024 119.7880 64.4167 37.1183 178.1176 126 R 3.8792 7.7864 118.0420 59.8369 29.8927 177.7182 127 E 4.0245 8.0514 117.1057 58.8651 29.6754 177.9176 128 A 4.4823 7.5390 119.3416 52.9191 20.2874 178.1137 129 D 4.7780 7.9649 117.3422 53.7031 39.1457 175.7497 130 I 3.8603 7.9371 124.8699 63.8812 37.5899 177.3523 131 D 4.4617 8.4533 116.9887 53.8630 39.7459 177.1300 132 G 3.8643 8.1607 108.6258 46.2014 0.0000 173.5631 133 D 4.5097 8.2888 116.4218 52.5988 39.5258 177.0532 134 G 3.9167 9.3032 107.4902 46.3415 0.0000 173.0990 135 Q 4.7115 8.1917 116.7890 54.4616 33.9046 174.2316 136 V 4.7244 8.8529 120.7705 61.4796 33.5714 175.1864 137 N 5.1907 9.1969 126.6243 51.4478 39.5685 175.6710 138 Y 3.1010 8.3226 118.1982 60.7018 38.6834 177.5603 139 E 3.8060 8.0760 118.9644 59.3484 29.5964 179.0418 140 E 3.9242 9.1517 118.9265 59.2592 29.4550 179.0179 141 F 4.0140 8.3830 120.8284 61.3337 39.2060 177.1291 142 V 3.3100 7.5154 116.6642 66.2556 31.3052 177.6387 143 Q 4.0513 7.6212 116.1536 59.2878 28.2934 178.5649 144 M 4.1398 7.8759 119.6676 58.2343 31.7623 177.8761 145 M 4.2121 7.5743 116.0985 56.1196 32.1058 176.3090 146 T 3.9854 7.3100 118.6623 62.6698 68.0618 172.6592 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 4 L 8.18 4.38 0.00 1.68 1.77 0.97 0.66 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 5 T 8.31 4.03 4.49 0.00 0.00 0.00 0.00 0.00 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 6 E 9.17 4.01 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 7 E 8.16 4.01 0.00 2.01 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 2.31 1.97 0.00 8 Q 8.10 4.09 0.00 2.40 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 9 I 8.36 4.08 2.16 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 1.60 1.14 1.22 0.00 0.00 10 A 8.29 4.06 1.38 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 0.00 0.00 11 E 8.32 3.92 0.00 1.88 1.83 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 2.48 2.38 0.00 12 F 8.31 4.85 0.00 3.65 3.54 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 0.00 0.00 0.00 0.00 13 K 8.49 3.51 0.00 1.42 1.88 0.00 1.08 0.00 0.00 0.61 0.00 0.00 2.64 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.31 7.81 14 E 7.90 3.99 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 15 A 8.18 4.33 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.65 3.39 0.00 2.57 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 17 S 8.16 4.18 0.00 4.06 3.91 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 18 L 7.62 4.05 0.00 1.72 1.48 0.91 0.61 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 19 F 7.80 4.43 0.00 2.81 2.90 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 20 D 7.76 4.67 0.00 2.12 2.36 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 21 K 7.95 4.05 0.00 1.76 1.83 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.51 7.81 22 D 7.96 4.56 0.00 2.80 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 23 G 7.74 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 24 D 8.30 4.49 0.00 2.79 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 25 G 9.50 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 26 T 8.00 5.22 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 1.29 0.00 0.00 27 I 9.02 4.58 1.76 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.14 0.83 0.00 0.00 28 T 8.57 4.81 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 29 T 8.51 3.89 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 1.22 0.00 0.00 30 K 7.97 3.95 0.00 1.94 1.85 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.10 7.81 31 E 8.19 3.99 0.00 2.21 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 0.00 2.33 2.32 0.00 32 L 8.20 4.26 0.00 1.95 1.85 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.46 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 34 T 8.07 3.86 4.38 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 1.20 0.00 0.00 35 V 7.50 3.49 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.79 0.00 0.00 36 M 8.17 4.08 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.76 0.00 37 R 8.70 4.81 0.00 2.04 1.97 0.00 3.14 0.00 0.00 3.32 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.60 0.00 38 S 7.87 4.07 0.00 4.17 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 39 L 7.49 4.05 0.00 1.75 1.65 0.88 0.82 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 40 G 8.32 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 41 Q 7.68 4.43 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 42 N 8.09 5.30 0.00 2.61 2.66 0.00 0.00 7.04 7.69 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 43 P 0.00 4.57 0.00 2.23 2.05 0.00 3.83 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 2.00 1.97 0.00 44 T 8.62 4.14 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 1.21 0.00 0.00 45 E 8.67 3.97 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 46 A 7.93 4.03 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 47 E 8.19 3.93 0.00 2.21 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 2.34 2.36 0.00 48 L 8.05 4.00 0.00 1.85 1.73 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.22 3.96 0.00 2.25 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 50 D 8.26 4.28 0.00 2.94 2.80 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 51 M 7.96 4.07 0.00 2.03 2.24 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.60 0.00 52 I 7.85 3.82 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.02 0.96 0.00 0.00 53 N 8.14 4.32 0.00 2.98 2.97 0.00 0.00 7.27 7.67 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 54 E 7.74 3.94 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 55 V 7.59 4.09 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 0.93 0.00 0.00 56 D 7.48 4.61 0.00 2.95 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 57 A 8.15 3.93 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 58 D 8.61 4.48 0.00 2.79 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 59 G 8.05 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 0.00 0.00 0.00 60 N 8.33 4.45 0.00 2.89 2.96 0.00 0.00 7.13 6.82 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 61 G 9.50 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 62 T 7.61 4.87 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 1.23 0.00 0.00 63 I 8.83 4.83 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.80 1.13 0.00 0.00 64 D 8.96 5.26 0.00 2.82 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 65 F 8.59 3.53 0.00 2.09 2.80 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 66 P 0.00 3.89 0.00 2.24 2.00 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 67 E 8.79 3.90 0.00 2.24 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 0.00 2.31 2.42 0.00 68 F 8.24 4.06 0.00 3.49 3.24 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 69 L 8.21 3.48 0.00 1.44 1.38 0.60 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.50 3.72 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 1.13 0.00 0.00 71 M 7.62 3.94 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 72 M 7.30 3.89 0.00 1.26 1.12 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 73 A 8.07 4.02 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.11 4.33 0.00 1.89 1.96 0.00 3.04 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 75 K 7.78 3.82 0.00 1.83 1.77 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.35 7.81 *82 E 8.71 4.48 0.00 1.92 2.00 0.00 0.00 0.00 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 1.88 0.00 83 E 8.28 4.10 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.98 0.00 84 E 8.18 4.31 0.00 2.11 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 2.44 2.50 0.00 85 I 7.87 3.96 2.07 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 1.70 0.79 1.09 0.00 0.00 86 R 8.58 4.28 0.00 2.17 2.01 0.00 3.07 0.00 0.00 3.02 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.51 0.00 87 E 8.13 4.02 0.00 2.24 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 2.40 2.60 0.00 88 A 8.49 4.35 1.83 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 0.00 0.00 89 F 8.74 3.10 0.00 3.08 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.02 3.98 0.00 2.04 1.99 0.00 3.27 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.95 0.00 91 V 7.39 3.63 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 0.58 0.00 0.00 0.96 0.00 0.00 92 F 7.80 4.03 0.00 2.78 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 93 D 8.01 4.48 0.00 1.77 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 94 K 7.77 3.92 0.00 1.73 1.82 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.39 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.47 7.81 95 D 8.07 4.61 0.00 2.74 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 96 G 8.02 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 0.00 0.00 0.00 97 N 8.42 4.58 0.00 2.98 3.00 0.00 0.00 6.98 7.08 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 98 G 9.63 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 0.00 0.00 0.00 99 Y 8.01 5.17 0.00 2.88 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 0.00 100 I 9.21 4.48 1.86 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 0.88 0.21 0.93 0.00 0.00 101 S 9.05 4.88 0.00 3.94 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 0.00 102 A 8.86 4.00 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 0.00 103 A 8.05 3.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.13 3.99 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 105 L 8.21 4.23 0.00 1.86 1.91 1.13 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.52 3.93 0.00 2.00 2.13 0.00 3.16 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 1.64 1.67 0.00 107 H 8.32 4.08 0.00 3.44 3.41 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 0.00 108 V 7.67 3.45 1.88 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 0.47 0.00 0.00 0.39 0.00 0.00 109 M 8.42 3.99 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.75 0.00 110 T 8.17 3.96 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 1.34 0.00 0.00 111 N 7.89 4.35 0.00 2.90 3.03 0.00 0.00 7.07 7.60 0.00 0.00 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 L 7.81 4.23 0.00 1.77 1.68 0.91 0.94 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 0.00 113 G 7.79 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 0.00 114 E 8.29 4.00 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 115 K 8.19 3.92 0.00 1.91 1.90 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.60 7.81 116 L 7.85 4.31 0.00 1.65 1.62 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.72 4.22 4.38 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 1.21 0.00 0.00 118 D 8.63 4.37 0.00 2.71 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 0.00 119 E 8.14 4.00 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 120 E 8.04 4.07 0.00 2.17 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 2.41 2.37 0.00 121 V 8.12 3.59 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 1.07 0.00 0.00 1.02 0.00 0.00 122 D 8.43 4.43 0.00 2.87 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 0.00 123 E 8.64 3.99 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 124 M 8.30 4.05 0.00 2.07 2.30 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 2.77 2.60 0.00 125 I 7.80 3.74 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.02 0.98 0.00 0.00 126 R 7.79 3.88 0.00 1.92 2.20 0.00 3.27 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 127 E 8.05 4.02 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 128 A 7.54 4.48 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 0.00 129 D 7.96 4.78 0.00 2.85 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 0.00 130 I 7.94 3.86 1.89 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 1.47 0.82 0.92 0.00 0.00 131 D 8.45 4.46 0.00 2.80 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 0.00 132 G 8.16 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 0.00 133 D 8.29 4.51 0.00 2.70 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 0.00 134 G 9.30 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 0.00 135 Q 8.19 4.71 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 136 V 8.85 4.72 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 1.17 0.00 0.00 0.99 0.00 0.00 137 N 9.20 5.19 0.00 2.71 3.11 0.00 0.00 6.47 6.85 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 0.00 138 Y 8.32 3.10 0.00 2.00 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 0.00 139 E 8.08 3.81 0.00 2.00 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 2.45 2.37 0.00 140 E 9.15 3.92 0.00 2.20 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 0.00 2.36 2.47 0.00 141 F 8.38 4.01 0.00 3.22 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 0.00 142 V 7.52 3.31 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 0.78 0.00 0.00 0.23 0.00 0.00 143 Q 7.62 4.05 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 144 M 7.88 4.14 0.00 1.85 1.97 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.78 0.00 145 M 7.57 4.21 0.00 1.82 1.93 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.53 0.00 146 T 7.31 3.99 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 1.19 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.