NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.3324 8.0433 122.7551 54.5565 43.9196 175.3290 4 I 4.4922 7.5362 119.9975 59.6922 38.4734 169.6839 5 V 4.4758 9.5526 127.7291 61.1160 35.4143 173.4164 6 N 5.1291 8.8521 124.8991 51.9905 40.4967 174.0300 7 V 4.8235 8.9207 124.4268 61.2462 34.0574 174.1464 8 I 4.9352 8.9193 129.3475 59.5796 40.2481 174.3100 9 N 5.3688 9.4163 124.8258 51.7856 41.2792 175.0312 10 G 4.4932 8.8049 113.6936 43.6961 0.0000 171.0002 11 P 4.5184 0.0000 0.0000 64.2684 31.9783 176.6110 12 N 4.5717 9.5370 118.3399 53.6059 37.5234 176.0018 13 L 4.3169 7.7011 118.1259 56.1270 42.1167 178.9853 14 G 3.6607 8.0048 106.7404 47.6232 0.0000 174.3962 15 R 4.3481 7.9460 118.2046 55.7517 30.7591 176.2545 16 L 4.0900 7.4857 119.0451 56.8430 42.1535 177.1991 17 G 4.1263 9.3076 110.0930 45.1090 0.0000 174.3452 18 R 4.5485 7.8055 113.4613 56.0178 31.4634 177.0291 19 R 3.8327 8.3506 117.2943 59.4358 30.0264 177.4940 *26 G 3.8856 7.8921 102.8555 44.9211 0.0000 172.5813 27 T 4.6046 8.0114 116.7306 62.8838 69.1620 175.2020 28 T 4.8798 8.4093 118.0955 60.2398 71.6864 175.3885 29 H 3.9422 8.5792 120.1819 59.4590 29.8566 176.7419 30 D 4.3391 8.1088 120.1588 57.6049 40.8279 178.5858 31 E 3.9581 8.2977 118.9315 59.0689 29.3016 179.0982 32 L 3.7967 7.9903 120.6149 58.0091 42.0296 179.0491 33 V 3.3819 7.6690 117.8469 66.0635 31.4558 177.6621 34 A 3.9520 7.8752 120.2410 55.2554 18.1768 179.5977 35 L 3.9043 8.1957 117.6547 57.9786 41.6123 179.8562 36 I 3.6930 7.8861 119.8904 64.5365 37.0523 178.4703 37 E 3.9316 8.4996 119.7444 59.0937 29.2126 179.4818 38 R 3.8554 7.9684 119.0563 59.2153 30.2454 178.1362 39 E 3.8933 8.2161 118.9280 59.3238 29.6417 178.5946 40 A 3.9936 8.2979 120.8337 55.1608 18.4095 179.4892 41 A 3.9575 8.0583 119.2847 55.3582 18.2341 179.6967 42 E 3.9718 8.0868 116.1438 59.2103 29.6090 178.7783 43 L 4.3654 7.6718 116.5238 54.6355 42.0024 177.6888 44 G 3.8306 7.8446 107.1374 45.5873 0.0000 173.0730 45 L 4.7293 7.9383 119.6191 52.6842 44.6767 175.7214 46 K 4.4959 9.1553 120.6694 54.8388 34.4886 174.4860 47 A 4.9162 8.6139 129.6766 50.7549 20.6790 176.1746 48 V 4.1170 8.6554 122.7092 61.2258 33.5332 174.3757 49 V 4.7594 8.2002 128.2445 61.3160 33.0876 175.0457 50 R 4.4707 8.7338 125.8126 54.3660 34.4295 173.9197 51 Q 5.2025 8.4761 121.9589 54.7767 31.8813 173.9528 52 S 4.8111 9.2191 119.0720 57.4069 66.1173 174.2259 53 D 4.5803 8.9160 124.0255 54.9715 41.4877 176.6952 54 S 4.5522 7.9031 115.5520 56.3918 63.6267 173.6175 55 E 3.8496 8.7540 129.8880 59.5484 29.4619 178.5031 56 A 3.9223 7.8485 120.1000 55.1651 18.4454 179.2537 57 Q 3.4470 7.6291 118.1850 58.9147 28.9903 178.2987 58 L 4.0012 7.6672 120.0244 57.7541 41.6410 179.2429 59 L 3.8263 8.0982 119.2855 58.0140 41.5057 179.2256 60 D 4.2656 7.8408 117.6312 57.1230 41.1154 178.3542 61 W 4.4666 7.9199 119.5215 59.8308 28.9781 178.6003 62 I 3.8184 8.1215 119.9616 64.6602 36.4308 178.1339 63 H 4.2982 8.6314 117.5138 59.1142 28.5417 177.8718 64 Q 4.0366 8.5181 119.7163 58.9465 28.5388 178.7470 65 A 4.0402 8.2241 121.6696 54.8329 18.2378 179.4803 66 A 3.9499 8.2721 119.4687 55.6839 18.3187 179.6879 67 D 4.3215 8.2746 115.8909 57.0466 40.9814 178.1581 68 A 4.2663 8.0071 118.7712 51.2227 19.6081 176.6086 69 A 3.6927 7.5127 119.0475 53.3106 16.6444 176.9248 70 E 4.7761 7.8966 118.8912 54.8593 31.9326 175.8109 71 P 4.7126 0.0000 0.0000 62.9055 33.1411 175.2522 72 V 4.9632 8.7342 120.6631 61.3105 35.1937 174.1834 73 I 4.8348 8.9438 128.5963 59.5722 39.4795 174.2167 74 L 5.1294 9.0044 129.7620 53.1708 45.2306 174.5999 75 N 5.1849 9.5523 124.9032 50.9802 40.4066 173.9648 76 A 4.4256 8.6347 127.8048 50.9207 20.3503 178.1984 77 G 3.8768 8.3881 106.7188 46.5178 0.0000 176.4529 78 G 3.8590 8.6899 107.4514 48.3075 0.0000 175.1180 79 L 4.3135 7.7216 121.4578 56.9088 41.3282 179.1050 80 T 3.8955 7.8476 116.4903 67.2376 68.2307 175.4917 81 H 4.7448 7.7732 115.3178 57.2787 29.1684 176.1871 82 T 4.6345 7.8803 108.4420 60.8185 70.8123 172.9701 83 S 4.5715 8.0902 117.5463 56.3685 62.7661 174.5544 84 V 3.1923 7.9052 128.3484 65.6911 31.3060 177.4434 85 A 3.9206 7.8369 120.1817 54.9329 18.0989 179.2801 86 L 3.7914 8.0617 118.8224 58.2273 42.1618 178.7253 87 R 3.8943 7.6459 118.3111 60.0299 29.6927 177.9914 88 D 4.3283 8.1663 116.8005 57.2001 41.1845 178.4445 89 A 4.1925 8.0200 121.3072 55.5059 18.4685 179.5426 90 C 4.1590 8.4046 115.1500 62.8053 27.9328 176.1559 91 A 4.1195 8.1343 121.6918 54.7535 17.9802 178.9999 92 E 4.0962 7.9285 115.6056 57.5301 29.9875 177.5237 93 L 4.1991 7.3792 119.9225 54.7620 42.2221 177.0670 94 S 4.3967 8.5912 116.4289 59.6163 64.1701 174.3150 95 A 4.4728 7.6753 121.6671 50.1715 19.8432 175.4040 96 P 4.4449 0.0000 0.0000 62.7737 32.9062 175.6779 97 L 5.1679 8.6637 124.6838 53.4129 45.0084 174.9743 98 I 4.7444 8.6004 127.6021 59.3696 39.2519 174.4991 99 E 4.5714 8.8345 129.4446 55.7971 30.4951 175.4848 100 V 4.6642 8.6695 126.2938 61.3383 35.2909 173.7280 101 H 4.8974 8.7927 123.3213 54.1699 32.0348 174.6424 102 I 3.8473 8.6324 124.0801 64.2814 38.0209 176.8850 103 S 4.6040 7.9108 114.3910 56.8683 64.5385 173.4516 104 N 4.5165 8.3423 119.3685 52.8735 37.5826 175.8216 105 V 3.7070 8.0676 119.3618 63.4555 31.7815 177.0599 106 H 4.4588 8.3283 115.8009 56.3227 28.8781 175.4860 107 A 4.6945 7.8960 121.8553 51.7125 19.8066 177.5555 108 R 4.6333 7.2147 116.8840 56.3919 31.3368 175.9645 109 E 3.8851 8.2551 123.4903 57.0683 30.2269 177.3064 110 E 3.8547 8.7693 123.1191 59.2914 29.7669 179.1536 111 F 4.2808 7.8107 112.0670 59.4062 37.9132 175.9793 112 R 3.7899 7.2584 118.6860 57.0850 30.0164 177.0542 113 R 4.2480 7.8543 116.7192 56.3699 30.3352 175.4571 114 H 4.8444 8.0054 118.1442 54.0402 32.0205 172.5856 115 S 4.7362 8.0249 120.3546 56.5035 64.6392 173.4626 116 Y 4.3112 8.8230 125.5418 60.1589 38.2031 177.4470 117 L 4.3569 8.0154 120.1643 56.9658 41.9489 178.9200 118 S 4.2750 7.9341 116.0887 60.6575 62.5801 174.8911 119 P 4.3479 0.0000 0.0000 64.5900 31.1865 177.5605 120 I 4.2383 7.5343 109.2420 59.9875 38.4325 175.6804 121 A 4.4234 6.8512 123.5985 51.7583 19.6410 177.6935 122 T 4.0042 8.5962 117.7307 66.6689 69.2037 174.4857 123 G 4.0084 7.4168 105.7220 45.6666 0.0000 171.8598 124 V 5.0800 8.0957 118.3819 61.1259 34.9522 174.5082 125 I 4.6144 8.8040 127.4890 59.6390 40.1508 174.9757 126 V 5.1238 7.7076 118.9047 59.5756 35.3209 176.3398 127 G 3.9239 9.2304 110.9075 45.7622 0.0000 173.8562 128 L 4.4249 7.7290 118.1039 54.0628 42.3254 178.3244 129 G 3.9281 7.9352 109.8765 45.4792 0.0000 174.7054 130 I 4.0500 8.2557 117.9779 64.2254 36.9767 177.8323 131 Q 4.1961 8.3048 120.2661 58.6506 28.8208 177.9888 132 G 3.7250 8.1535 107.2038 48.1568 0.0000 175.1231 133 Y 4.0655 7.9963 118.7242 60.9360 37.9661 178.7715 134 L 4.0794 8.0449 119.3182 57.8916 41.7665 179.4782 135 L 4.0626 8.4915 119.1591 57.5945 41.5478 179.3776 136 A 4.0315 8.1551 120.8609 55.1247 18.3121 179.5577 137 L 3.9853 8.1219 117.5013 58.0741 41.7122 179.8089 138 R 3.9088 8.1827 118.5639 59.3427 29.7784 177.6245 139 Y 4.0347 8.2384 119.4934 61.0379 38.5468 178.3484 140 L 3.9494 7.8835 117.8379 57.7926 41.7762 179.1838 141 A 4.1215 7.9841 119.9116 54.9197 18.4702 178.7980 142 E 4.1704 7.9242 114.1161 57.0493 30.7044 176.6363 143 H 4.6460 7.4853 116.5653 55.1253 28.7906 175.0146 144 V 4.3970 7.3325 107.0987 60.8666 33.5709 177.5930 145 G 3.5574 7.4917 109.6326 47.7923 0.0000 174.0868 146 T 4.1097 7.5592 115.3878 60.9030 69.1122 174.9206 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 3 L 8.04 4.33 0.00 1.79 1.63 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 4 I 7.54 4.49 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 1.22 0.79 1.00 0.00 0.00 5 V 9.55 4.48 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 1.09 0.00 0.00 0.95 0.00 0.00 6 N 8.85 5.13 0.00 2.82 2.68 0.00 0.00 6.24 7.30 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 7 V 8.92 4.82 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 1.15 0.00 0.00 0.96 0.00 0.00 8 I 8.92 4.94 1.95 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.55 1.14 0.00 0.00 9 N 9.42 5.37 0.00 2.66 2.78 0.00 0.00 6.43 7.12 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 10 G 8.80 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 0.00 0.00 0.00 0.00 11 P 0.00 4.52 0.00 2.08 2.02 0.00 4.01 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 2.05 2.13 0.00 12 N 9.54 4.57 0.00 2.97 3.04 0.00 0.00 6.91 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 13 L 7.70 4.32 0.00 1.89 1.79 1.08 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.00 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 0.00 0.00 0.00 15 R 7.95 4.35 0.00 1.97 1.98 0.00 3.33 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 16 L 7.49 4.09 0.00 1.75 1.84 0.96 1.18 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 17 G 9.31 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.81 4.55 0.00 1.88 2.02 0.00 3.12 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 19 R 8.35 3.83 0.00 1.84 2.11 0.00 3.27 0.00 0.00 3.50 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 *26 G 7.89 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 27 T 8.01 4.60 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 1.18 0.00 0.00 28 T 8.41 4.88 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 29 H 8.58 3.94 0.00 3.32 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.11 4.34 0.00 2.71 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 31 E 8.30 3.96 0.00 2.14 1.97 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 2.31 2.30 0.00 32 L 7.99 3.80 0.00 1.58 1.57 0.57 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.67 3.38 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 0.99 0.00 0.00 0.80 0.00 0.00 34 A 7.88 3.95 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 35 L 8.20 3.90 0.00 1.75 1.71 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.89 3.69 1.87 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.66 0.87 0.00 0.00 37 E 8.50 3.93 0.00 2.01 1.97 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 2.29 2.36 0.00 38 R 7.97 3.86 0.00 1.89 2.10 0.00 3.09 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 39 E 8.22 3.89 0.00 2.22 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 0.00 2.33 2.39 0.00 40 A 8.30 3.99 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.06 3.96 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 42 E 8.09 3.97 0.00 2.12 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 2.34 2.54 0.00 43 L 7.67 4.37 0.00 1.79 1.71 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.84 3.83 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 0.00 45 L 7.94 4.73 0.00 1.61 1.70 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 46 K 9.16 4.50 0.00 1.72 1.62 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.33 7.81 47 A 8.61 4.92 1.20 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 0.00 0.00 48 V 8.66 4.12 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 0.71 0.00 0.00 0.88 0.00 0.00 49 V 8.20 4.76 1.97 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 0.73 0.00 0.00 0.83 0.00 0.00 50 R 8.73 4.47 0.00 0.67 0.66 0.00 2.54 0.00 0.00 2.69 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.00 51 Q 8.48 5.20 0.00 1.86 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.71 0.00 0.00 0.00 0.00 0.00 2.42 2.09 0.00 52 S 9.22 4.81 0.00 4.01 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 0.00 53 D 8.92 4.58 0.00 2.71 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 54 S 7.90 4.55 0.00 3.82 3.60 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 0.00 0.00 0.00 0.00 55 E 8.75 3.85 0.00 2.04 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 2.33 2.35 0.00 56 A 7.85 3.92 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 57 Q 7.63 3.45 0.00 1.76 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 1.58 1.16 0.00 58 L 7.67 4.00 0.00 1.84 1.76 0.98 0.66 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 59 L 8.10 3.83 0.00 1.64 1.50 0.86 0.78 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 60 D 7.84 4.27 0.00 2.56 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.92 4.47 0.00 3.65 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 62 I 8.12 3.82 1.99 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 1.83 0.88 0.96 0.00 0.00 63 H 8.63 4.30 0.00 3.33 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.52 4.04 0.00 2.38 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.70 0.00 65 A 8.22 4.04 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 66 A 8.27 3.95 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 67 D 8.27 4.32 0.00 2.81 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 68 A 8.01 4.27 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 69 A 7.51 3.69 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 70 E 7.90 4.78 0.00 1.89 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 0.00 2.27 2.46 0.00 71 P 0.00 4.71 0.00 2.11 2.02 0.00 3.73 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 2.14 2.12 0.00 72 V 8.73 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 1.09 0.00 0.00 0.97 0.00 0.00 73 I 8.94 4.83 1.96 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 1.15 0.72 0.97 0.00 0.00 74 L 9.00 5.13 0.00 1.73 1.47 1.02 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.55 5.18 0.00 2.75 3.08 0.00 0.00 6.92 8.72 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 76 A 8.63 4.43 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 77 G 8.39 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 78 G 8.69 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 79 L 7.72 4.31 0.00 1.77 1.74 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.85 3.90 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 1.23 0.00 0.00 81 H 7.77 4.74 0.00 3.22 3.50 0.00 5.60 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.88 4.63 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 1.31 0.00 0.00 83 S 8.09 4.57 0.00 3.83 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 84 V 7.91 3.19 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 0.98 0.00 0.00 0.40 0.00 0.00 85 A 7.84 3.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.06 3.79 0.00 1.74 1.78 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.65 3.89 0.00 1.97 2.05 0.00 3.39 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 88 D 8.17 4.33 0.00 2.65 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 89 A 8.02 4.19 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 90 C 8.40 4.16 0.00 3.14 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 91 A 8.13 4.12 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 92 E 7.93 4.10 0.00 2.24 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 2.35 2.36 0.00 93 L 7.38 4.20 0.00 1.75 1.63 0.99 0.70 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 94 S 8.59 4.40 0.00 3.98 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 95 A 7.68 4.47 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 96 P 0.00 4.44 0.00 2.21 2.12 0.00 3.59 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 97 L 8.66 5.17 0.00 1.77 1.49 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.60 4.74 1.83 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 0.88 0.62 0.84 0.00 0.00 99 E 8.83 4.57 0.00 2.04 1.77 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 2.26 2.21 0.00 100 V 8.67 4.66 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.65 0.00 0.00 101 H 8.79 4.90 0.00 3.03 3.10 0.00 5.67 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.63 3.85 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.85 0.94 0.00 0.00 103 S 7.91 4.60 0.00 3.97 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 0.00 104 N 8.34 4.52 0.00 2.74 2.76 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 0.00 105 V 8.07 3.71 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 0.58 0.00 0.00 0.60 0.00 0.00 106 H 8.33 4.46 0.00 3.30 3.29 0.00 5.63 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 0.00 107 A 7.90 4.69 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 0.00 108 R 7.21 4.63 0.00 1.61 1.51 0.00 3.18 0.00 0.00 3.15 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 109 E 8.26 3.89 0.00 1.16 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 2.28 2.20 0.00 110 E 8.77 3.85 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 2.39 2.39 0.00 111 F 7.81 4.28 0.00 3.06 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 7.26 3.79 0.00 1.73 1.78 0.00 2.92 0.00 0.00 3.12 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.72 0.00 113 R 7.85 4.25 0.00 1.91 2.01 0.00 3.08 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.48 0.00 114 H 8.01 4.84 0.00 3.03 3.14 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.02 4.74 0.00 3.78 3.62 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 0.00 116 Y 8.82 4.31 0.00 3.07 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 0.00 117 L 8.02 4.36 0.00 1.73 1.72 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 118 S 7.93 4.28 0.00 3.85 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 0.00 119 P 0.00 4.35 0.00 2.05 2.14 0.00 3.81 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 2.05 2.15 0.00 120 I 7.53 4.24 1.89 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 1.50 0.79 0.94 0.00 0.00 121 A 6.85 4.42 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 0.00 122 T 8.60 4.00 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 1.16 0.00 0.00 123 G 7.42 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 0.00 124 V 8.10 5.08 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 0.91 0.00 0.00 0.97 0.00 0.00 125 I 8.80 4.61 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 1.16 0.51 0.86 0.00 0.00 126 V 7.71 5.12 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 1.07 0.00 0.00 1.00 0.00 0.00 127 G 9.23 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 0.00 128 L 7.73 4.42 0.00 1.62 1.68 0.91 0.92 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 0.00 129 G 7.94 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 I 8.26 4.05 1.93 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 1.56 0.80 0.94 0.00 0.00 131 Q 8.30 4.20 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 132 G 8.15 3.73 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 0.00 0.00 0.00 133 Y 8.00 4.07 0.00 3.17 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 0.00 134 L 8.04 4.08 0.00 1.84 1.75 0.94 0.67 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 0.00 135 L 8.49 4.06 0.00 1.80 1.74 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.16 4.03 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 0.00 137 L 8.12 3.99 0.00 1.97 1.77 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.18 3.91 0.00 1.93 2.11 0.00 3.14 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 139 Y 8.24 4.03 0.00 3.14 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 0.00 140 L 7.88 3.95 0.00 1.92 1.77 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.98 4.12 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 0.00 142 E 7.92 4.17 0.00 1.88 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 2.37 2.47 0.00 143 H 7.49 4.65 0.00 2.67 3.07 0.00 5.79 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 V 7.33 4.40 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 0.71 0.00 0.00 0.97 0.00 0.00 145 G 7.49 3.56 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 0.00 0.00 0.00 146 T 7.56 4.11 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.