NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 Q 4.2346 8.1876 121.7017 56.1230 31.4833 177.0070 6 S 3.8463 8.1367 113.3143 60.7991 62.6602 174.9695 7 R 3.8393 8.6737 123.6988 58.7413 30.2803 178.8965 8 E 4.2140 7.8482 116.8396 57.8997 29.6485 178.6268 9 R 3.5507 7.7905 119.5162 58.6540 30.0741 177.8448 10 L 3.8223 7.5069 120.0802 58.2525 42.0123 179.1791 11 V 3.5499 8.0988 118.4933 65.7081 31.4594 177.8179 12 K 3.9071 7.6330 119.0138 59.5436 32.2281 178.9083 13 W 4.5529 8.3359 119.1831 59.4366 28.9796 178.6799 14 L 4.1344 8.3893 119.6542 57.7606 41.1641 179.4160 15 Q 4.0203 8.5157 118.3400 59.0778 28.4820 178.3166 16 D 4.4292 7.8756 118.0797 57.7544 41.0477 178.8568 17 A 4.0158 7.6980 118.9416 55.0711 18.6143 178.7677 18 Y 4.1664 8.1505 118.0154 60.6075 38.9244 178.8967 19 A 4.0977 7.9832 120.0385 52.5580 18.4244 179.0493 *21 E 4.3495 8.2217 122.7409 58.0062 31.5847 178.7134 22 K 3.9020 7.6666 117.2332 58.8518 32.0475 178.8316 23 E 3.9823 8.3290 119.7487 58.9601 29.3628 178.4129 24 A 3.5738 7.9347 119.1793 55.2579 18.5549 178.5745 25 E 3.9937 8.1325 116.4537 59.1289 30.4419 178.5868 26 T 4.1064 7.3194 116.9886 62.1534 65.3037 175.1154 *29 A 3.9602 7.6908 122.1744 51.4314 21.1058 177.2352 30 A 4.5100 7.3330 119.1118 51.9001 19.3815 178.5656 *32 A 4.3367 8.0014 122.6941 53.2325 20.3254 178.5577 33 S 4.5557 7.8573 108.8026 58.7938 63.8756 175.5286 34 R 4.2039 7.8381 118.9456 57.6249 30.4456 176.6935 35 I 4.1193 7.6264 119.3474 61.2309 37.5703 175.4238 36 E 4.6177 8.7963 122.1665 56.2312 31.5754 176.1362 37 H 4.8650 8.1691 112.5989 55.3016 30.8325 173.6039 38 Y 4.8422 7.4614 117.5789 54.4669 38.6709 173.6503 39 P 4.3287 0.0000 0.0000 65.6437 31.8298 177.8342 40 E 4.1014 8.3096 116.7246 59.2972 29.4922 178.7183 41 L 4.0611 8.3121 119.8820 58.2845 42.2489 178.5678 42 K 3.8460 8.2700 119.3491 59.7968 32.2906 178.6525 43 R 4.2112 7.9187 119.5233 58.2068 29.7855 178.4376 44 R 3.6173 7.6846 118.9399 58.8984 29.9002 178.2745 45 I 3.5988 7.7382 119.9087 64.4411 36.6661 177.7708 46 E 3.8581 8.0370 119.3045 59.9787 29.3972 179.2720 47 Q 3.9447 7.5487 117.8042 59.5792 28.9024 178.0197 48 H 4.4792 7.8095 118.3727 57.9933 29.9068 177.0771 49 V 3.6216 8.0258 120.6305 65.4634 31.1575 177.1827 50 E 4.4793 7.7314 116.2979 57.9665 30.0373 177.7573 51 E 3.9444 7.9607 117.8955 59.9693 29.8306 179.4566 52 T 4.1057 8.1845 115.7879 66.8275 68.5946 176.8024 53 Q 3.9939 7.5735 118.4429 59.0059 28.6210 178.7753 54 Q 4.2327 8.1640 118.3968 58.1441 28.7362 178.2153 55 Q 4.0155 8.0246 120.2628 58.8105 28.8026 178.4011 56 S 4.2234 7.9901 114.4049 61.6323 63.0055 176.1849 57 A 4.0534 7.8685 123.0152 54.7483 17.8973 179.9502 58 G 3.5340 7.6919 104.0189 47.8965 0.0000 176.0800 59 V 3.7222 8.2379 121.3706 65.8645 31.5334 177.9132 60 Q 3.8775 8.9976 119.7706 59.3487 29.0785 178.3322 61 R 4.2576 8.0975 119.0011 59.5602 30.0922 178.8524 62 C 4.2252 7.8764 116.6647 62.6492 28.0786 176.0408 63 L 4.0406 8.0411 120.7461 57.7296 40.6516 179.3707 64 E 3.9475 8.8349 119.0338 58.9468 29.1432 179.0699 65 L 4.0088 7.6768 119.5586 57.7546 42.2288 178.1361 66 L 4.4796 7.4373 115.4428 53.6788 41.8584 176.1139 67 N 4.1912 7.6385 113.8207 54.2268 36.6901 174.3374 68 G 4.1122 7.9178 105.7766 43.7130 0.0000 174.9095 69 S 4.2111 8.3107 117.2456 58.1756 63.5603 174.1557 70 I 3.9469 7.8009 123.1773 59.2952 37.3066 173.8662 71 P 4.2174 0.0000 0.0000 61.9030 32.4053 175.0043 72 T 4.4938 7.8001 113.1155 60.8639 70.5699 174.0085 73 A 3.6095 8.2361 127.6183 51.4733 17.3038 176.7250 *93 T 4.3112 7.9774 113.0260 63.7569 69.5077 174.4394 94 D 4.2987 8.9785 121.6071 57.3980 41.3697 180.4516 95 E 3.6778 7.4814 118.5975 58.4725 30.4640 179.5292 96 V 3.5825 7.8764 119.1503 65.2006 31.5379 178.4938 97 T 3.6771 7.3450 110.9270 63.9472 68.7083 176.3898 98 K 4.0201 7.8477 121.1912 59.0146 32.0468 179.4502 99 G 3.5912 8.4572 106.4596 47.5639 0.0000 175.9843 100 V 3.7243 7.8989 120.7416 65.8234 31.4769 178.4442 101 G 3.6328 8.0626 105.6292 47.8078 0.0000 175.8996 102 I 3.9336 8.0260 122.1136 63.9319 37.0701 178.7331 103 S 4.1995 8.3681 116.5336 61.8619 62.5802 176.0909 104 Y 4.1256 8.1767 121.8069 60.5741 38.5046 177.7692 105 A 4.0153 8.2786 121.9672 54.8848 18.4562 179.5052 106 F 3.9691 8.4863 119.2181 61.6226 39.4728 177.1957 107 E 4.0552 8.4516 118.1739 59.9394 29.0815 179.1220 108 H 4.1070 7.7699 116.0540 57.9365 28.8631 177.4318 109 L 3.7489 7.7332 122.4687 58.0257 41.7658 178.7314 110 E 3.6359 8.3015 118.5956 60.2770 29.3865 178.7253 111 I 3.4513 7.9465 117.1943 64.6762 37.1166 177.6739 112 A 3.8812 8.1069 120.6490 55.9452 18.6847 180.1169 113 S 3.7953 7.7019 113.1499 61.7285 62.7116 176.5078 114 Y 4.2378 8.1503 119.7375 60.6283 37.6132 178.2342 115 R 3.9204 8.3590 119.3068 59.3605 30.2478 178.9731 116 A 4.0409 8.0216 120.3129 54.9158 18.1250 179.7787 117 L 4.1702 7.7991 117.5668 58.1263 41.9018 179.7226 118 V 3.4552 8.2019 118.4282 65.9380 31.2672 178.3512 119 V 3.6440 7.7378 117.5549 65.9177 31.4352 177.9768 120 A 4.0553 8.3831 120.4338 54.8034 18.2317 179.3583 121 A 3.9344 8.8807 120.0252 55.5063 18.4470 179.9138 122 R 3.8339 7.8848 115.9187 59.5606 30.0017 178.9255 123 S 4.0369 8.2188 111.7999 61.6941 62.4304 175.6998 124 A 4.2916 7.8461 119.7798 51.7676 18.3086 177.5540 125 G 3.8799 8.3613 105.5377 46.8463 0.0000 175.6769 126 E 4.4344 7.8220 121.9036 54.8112 27.7531 176.2864 127 Q 4.0496 8.0665 122.6402 58.5808 29.1106 177.3714 128 E 3.9858 8.1196 120.1253 59.0724 29.7678 178.7939 129 V 3.6223 7.8097 117.8190 65.7294 31.5591 177.7113 130 A 4.0138 7.9376 120.6657 55.1678 18.2441 179.3054 131 Q 3.8890 8.0586 118.0524 59.3306 29.1047 178.4544 132 I 3.6570 7.5273 120.6164 64.9107 37.2321 178.2919 133 C 4.1875 8.1426 117.1962 62.7531 27.7516 176.0095 134 E 4.0796 8.4156 120.4289 59.0599 28.7003 178.9209 135 D 4.3434 7.9660 119.2695 57.1913 40.9743 178.8281 136 I 3.6262 7.7189 120.4121 63.9386 37.0014 178.1062 137 L 3.9116 7.6994 121.3950 58.1974 41.8168 178.8963 138 Q 3.9928 7.8099 119.5600 59.0303 28.7242 178.1021 139 Q 3.9904 7.4949 117.3524 58.8191 28.8140 178.0394 140 E 4.5429 7.7162 119.8476 58.7280 29.7667 179.1070 141 I 3.8618 7.6723 119.8867 64.1574 37.1389 178.4172 142 E 4.1538 8.1171 116.0089 57.2472 29.1204 177.9424 *144 A 4.4103 7.9416 122.5490 51.8084 20.7300 179.4017 145 E 4.0545 8.5161 116.3153 59.2023 29.7588 178.8866 146 W 4.0486 8.3298 128.4145 60.3788 30.7891 178.0109 147 L 4.2383 8.2315 118.4948 58.0769 41.0793 179.1753 148 I 3.6640 7.7178 116.6551 63.3360 37.9037 177.5706 149 E 4.0125 7.6626 119.3151 59.5768 29.2069 178.1636 150 H 4.2717 7.6854 113.3752 56.0243 28.8574 177.1784 151 Q 3.8441 7.5559 122.7923 59.2928 28.9724 177.5585 152 E 3.8750 8.1703 119.5247 59.2147 29.4883 178.6495 153 A 3.9539 7.8017 120.2435 55.1361 18.5486 179.2542 154 I 3.7026 7.3187 117.6181 64.6102 37.0665 178.7220 155 V 3.5670 7.6647 118.7623 66.0303 31.2954 178.1351 156 V 3.6048 7.8113 117.6450 66.1197 31.3421 177.8813 157 A 4.0315 8.6638 120.9121 54.9272 17.9867 179.3241 158 F 4.0804 8.5097 118.5682 61.8681 39.8320 176.8041 159 L 4.1116 8.5800 118.8168 57.7086 40.9490 179.0061 160 E 3.9166 8.6588 118.2058 59.8731 29.1375 179.8082 161 R 3.8496 8.0828 118.5459 59.3856 29.9369 178.1586 162 E 4.0537 7.8568 115.6101 57.6435 29.7609 177.1665 163 Q 4.5921 7.1776 116.3718 55.3948 29.1234 175.5263 164 L 4.0941 7.3925 123.5508 56.2475 41.6644 177.1888 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 Q 8.19 4.23 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 6 S 8.14 3.85 0.00 4.11 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.67 3.84 0.00 1.86 1.92 0.00 3.14 0.00 0.00 3.53 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 8 E 7.85 4.21 0.00 1.94 1.90 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 2.33 2.25 0.00 9 R 7.79 3.55 0.00 1.56 1.53 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.50 0.00 10 L 7.51 3.82 0.00 1.75 1.83 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.10 3.55 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 1.00 0.00 0.00 0.98 0.00 0.00 12 K 7.63 3.91 0.00 1.92 1.70 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.49 7.81 13 W 8.34 4.55 0.00 3.42 3.05 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 14 L 8.39 4.13 0.00 1.98 1.78 0.96 1.16 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 15 Q 8.52 4.02 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 16 D 7.88 4.43 0.00 2.87 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 17 A 7.70 4.02 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.15 4.17 0.00 3.27 3.17 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 19 A 7.98 4.10 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 *21 E 8.22 4.35 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 2.67 2.39 0.00 22 K 7.67 3.90 0.00 1.78 1.76 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.24 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.96 1.05 7.81 23 E 8.33 3.98 0.00 2.09 2.06 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 2.28 2.09 0.00 24 A 7.93 3.57 1.55 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 0.00 0.00 25 E 8.13 3.99 0.00 1.88 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 2.27 2.31 0.00 26 T 7.32 4.11 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 1.16 0.00 0.00 *29 A 7.69 3.96 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 30 A 7.33 4.51 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 *32 A 8.00 4.34 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.86 4.56 0.00 4.00 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 0.00 34 R 7.84 4.20 0.00 1.84 2.05 0.00 3.20 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 35 I 7.63 4.12 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.52 1.09 0.00 0.00 36 E 8.80 4.62 0.00 1.44 1.78 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 2.15 2.43 0.00 37 H 8.17 4.86 0.00 2.48 2.74 0.00 5.66 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.46 4.84 0.00 3.07 2.95 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 0.00 0.00 0.00 39 P 0.00 4.33 0.00 2.22 2.15 0.00 3.69 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 40 E 8.31 4.10 0.00 2.39 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 41 L 8.31 4.06 0.00 2.08 2.16 1.11 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.27 3.85 0.00 1.93 1.84 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.69 7.81 43 R 7.92 4.21 0.00 2.11 2.03 0.00 3.29 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 44 R 7.68 3.62 0.00 0.74 0.88 0.00 2.71 0.00 0.00 2.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.82 0.00 45 I 7.74 3.60 1.81 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 1.46 0.60 0.87 0.00 0.00 46 E 8.04 3.86 0.00 1.95 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 2.31 2.49 0.00 47 Q 7.55 3.94 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.48 2.34 0.00 48 H 7.81 4.48 0.00 3.13 3.31 0.00 5.85 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.03 3.62 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 0.93 0.00 0.00 0.95 0.00 0.00 50 E 7.73 4.48 0.00 2.05 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 2.37 2.29 0.00 51 E 7.96 3.94 0.00 2.08 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 0.00 2.35 2.68 0.00 52 T 8.18 4.11 4.41 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 1.19 0.00 0.00 53 Q 7.57 3.99 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 54 Q 8.16 4.23 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 55 Q 8.02 4.02 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 56 S 7.99 4.22 0.00 3.50 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 57 A 7.87 4.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.69 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 59 V 8.24 3.72 2.44 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 1.25 0.00 0.00 1.15 0.00 0.00 60 Q 9.00 3.88 0.00 2.20 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.53 0.00 0.00 0.00 0.00 0.00 2.50 2.31 0.00 61 R 8.10 4.26 0.00 2.12 1.99 0.00 3.18 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 62 C 7.88 4.23 0.00 3.15 3.01 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 63 L 8.04 4.04 0.00 1.75 1.79 0.80 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.83 3.95 0.00 1.94 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 2.42 0.00 65 L 7.68 4.01 0.00 1.69 1.91 0.92 0.86 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 66 L 7.44 4.48 0.00 1.66 1.64 0.92 1.06 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 67 N 7.64 4.19 0.00 2.87 2.87 0.00 0.00 6.72 7.53 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 68 G 7.92 4.11 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 0.00 69 S 8.31 4.21 0.00 3.84 3.77 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 70 I 7.80 3.95 1.68 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 1.11 0.06 0.16 0.00 0.00 71 P 0.00 4.22 0.00 2.25 2.09 0.00 3.28 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.16 0.00 72 T 7.80 4.49 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 73 A 8.24 3.61 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 *93 T 7.98 4.31 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 1.25 0.00 0.00 94 D 8.98 4.30 0.00 2.72 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 95 E 7.48 3.68 0.00 2.10 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 2.41 2.39 0.00 96 V 7.88 3.58 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 0.91 0.00 0.00 0.84 0.00 0.00 97 T 7.34 3.68 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 0.57 0.00 0.00 98 K 7.85 4.02 0.00 1.72 1.85 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.39 1.38 7.81 99 G 8.46 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.90 3.72 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 0.99 0.00 0.00 0.88 0.00 0.00 101 G 8.06 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 0.00 0.00 0.00 102 I 8.03 3.93 1.88 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 1.54 0.80 0.93 0.00 0.00 103 S 8.37 4.20 0.00 4.16 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 0.00 104 Y 8.18 4.13 0.00 3.24 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 0.00 105 A 8.28 4.02 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 F 8.49 3.97 0.00 3.25 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 0.00 107 E 8.45 4.06 0.00 1.96 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 2.64 2.58 0.00 108 H 7.77 4.11 0.00 3.20 3.20 0.00 5.82 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 7.73 3.75 0.00 1.64 1.28 0.75 0.63 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 0.00 110 E 8.30 3.64 0.00 2.13 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 2.01 1.99 0.00 111 I 7.95 3.45 1.94 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.75 0.88 0.00 0.00 112 A 8.11 3.88 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 0.00 113 S 7.70 3.80 0.00 3.56 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.15 4.24 0.00 3.09 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 0.00 115 R 8.36 3.92 0.00 1.98 1.97 0.00 3.12 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 0.00 116 A 8.02 4.04 1.01 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 0.00 117 L 7.80 4.17 0.00 1.96 1.89 0.99 0.85 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 0.00 118 V 8.20 3.46 2.28 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 1.07 0.00 0.00 1.03 0.00 0.00 119 V 7.74 3.64 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 1.10 0.00 0.00 1.05 0.00 0.00 120 A 8.38 4.06 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 0.00 121 A 8.88 3.93 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.88 3.83 0.00 2.15 2.01 0.00 3.19 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 123 S 8.22 4.04 0.00 3.84 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 0.00 124 A 7.85 4.29 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 0.00 125 G 8.36 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 0.00 126 E 7.82 4.43 0.00 2.01 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 2.26 2.47 0.00 127 Q 8.07 4.05 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 128 E 8.12 3.99 0.00 2.08 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 2.38 2.43 0.00 129 V 7.81 3.62 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 1.04 0.00 0.00 0.95 0.00 0.00 130 A 7.94 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.06 3.89 0.00 2.20 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 132 I 7.53 3.66 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 1.65 0.84 0.92 0.00 0.00 133 C 8.14 4.19 0.00 3.22 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.42 4.08 0.00 2.15 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 2.34 2.47 0.00 135 D 7.97 4.34 0.00 2.80 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 0.00 136 I 7.72 3.63 1.07 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.98 0.03 0.00 0.00 137 L 7.70 3.91 0.00 1.86 1.87 0.94 0.56 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 0.00 138 Q 7.81 3.99 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 139 Q 7.49 3.99 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 140 E 7.72 4.54 0.00 1.92 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 2.58 2.46 0.00 141 I 7.67 3.86 1.98 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 1.37 0.70 0.91 0.00 0.00 142 E 8.12 4.15 0.00 2.31 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 2.33 2.43 0.00 *144 A 7.94 4.41 1.17 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 0.00 145 E 8.52 4.05 0.00 2.27 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 2.49 2.38 0.00 146 W 8.33 4.05 0.00 3.60 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 L 8.23 4.24 0.00 2.18 1.88 1.12 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.72 3.66 1.71 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.39 1.04 0.00 0.00 149 E 7.66 4.01 0.00 1.99 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 2.28 2.46 0.00 150 H 7.69 4.27 0.00 2.62 2.94 0.00 5.82 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 7.56 3.84 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 152 E 8.17 3.88 0.00 2.00 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 2.35 2.35 0.00 153 A 7.80 3.95 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 0.00 154 I 7.32 3.70 1.82 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.67 0.27 0.00 0.00 155 V 7.66 3.57 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 1.09 0.00 0.00 0.91 0.00 0.00 156 V 7.81 3.60 2.31 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 1.06 0.00 0.00 1.02 0.00 0.00 157 A 8.66 4.03 1.53 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 0.00 158 F 8.51 4.08 0.00 3.28 3.40 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 0.00 159 L 8.58 4.11 0.00 1.97 1.72 0.98 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 160 E 8.66 3.92 0.00 2.03 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 2.57 0.00 161 R 8.08 3.85 0.00 1.92 1.93 0.00 2.94 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 162 E 7.86 4.05 0.00 1.90 1.63 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 2.35 2.23 0.00 163 Q 7.18 4.59 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.26 0.00 164 L 7.39 4.09 0.00 1.64 1.62 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.