NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2949 8.3344 115.4106 57.9678 64.1094 172.8815 3 V 3.5652 8.4049 125.9008 62.2156 31.3023 173.4600 4 Q 4.6302 8.9953 126.6558 55.5860 32.6234 175.1962 5 V 4.8493 7.9384 119.3275 60.8606 34.8171 174.2512 6 G 4.4636 9.0059 115.2268 44.2069 0.0000 172.5537 7 V 4.9510 9.2469 127.6361 61.4881 33.3604 174.4593 8 I 5.5651 8.1319 122.2602 58.1459 40.6676 175.9787 *10 G 4.0970 8.6793 107.5949 46.6908 0.0000 173.1936 11 S 4.7838 8.2636 112.4321 55.4764 66.3980 175.1424 12 K 3.9337 8.7591 120.5911 59.7016 31.3953 179.5072 13 S 4.3239 7.5835 112.2485 60.9433 63.3662 175.6641 14 D 4.5541 8.3158 122.2348 55.7059 40.3114 177.9260 15 W 4.5506 8.0618 129.6035 60.5802 30.7619 177.6559 16 S 4.0833 8.1216 112.5500 61.1746 62.0743 174.8034 17 T 4.1238 7.4890 118.2621 63.8243 68.3172 176.0525 *19 K 2.6852 8.0069 124.9458 55.8763 33.7219 177.7406 20 E 3.7792 7.3763 117.5748 59.2360 29.1783 178.5926 21 C 3.9542 7.8165 118.2926 62.8860 31.6134 175.1920 22 C 3.4577 7.8028 117.4581 62.8435 27.7634 175.9213 23 D 4.3311 8.2035 120.6355 57.3269 40.3926 178.9144 24 I 3.6636 7.4290 120.0910 64.2878 37.0687 178.2563 25 L 3.9112 7.6660 119.8111 58.0723 41.2643 179.4205 26 D 4.5151 8.2585 118.6288 57.6177 40.5641 178.6835 27 N 4.4648 7.9756 115.7824 55.8607 38.6553 176.6516 28 L 4.3953 7.9315 117.9220 54.4980 41.9696 177.3725 29 G 3.8688 7.6786 107.0720 46.0665 0.0000 173.0361 30 I 4.3832 7.7919 120.5933 59.0921 38.5893 176.2201 31 G 3.9311 8.7308 115.1130 46.5901 0.0000 171.8366 32 Y 5.5340 7.8719 121.0846 55.6423 41.5460 173.4359 33 E 4.9323 9.1227 117.5239 54.5697 33.1325 174.5485 34 C 6.0442 8.5717 114.7699 55.7547 32.7396 172.7792 35 E 4.6272 8.5001 121.6788 54.5812 33.2722 173.7950 36 V 4.0350 8.2968 126.3356 62.3063 32.1788 175.3440 37 V 4.2372 8.1924 127.7796 61.1732 34.5769 174.0085 38 S 4.6540 8.9162 123.9063 56.5758 63.1423 174.8535 39 A 4.0334 8.6426 131.0760 54.9148 18.4502 177.5775 40 H 4.7595 7.9888 111.0842 56.8715 30.0875 176.1524 41 R 4.3571 8.0953 117.2136 57.1037 31.5097 176.5623 42 T 4.7366 7.8015 107.7685 59.6651 68.6468 173.3208 43 P 4.3093 0.0000 0.0000 66.7521 32.2445 177.9209 44 D 4.4340 8.1452 118.5448 57.0907 40.9725 179.2497 45 K 3.9621 7.6534 116.5502 56.9073 31.6193 178.3547 *47 F 4.8034 8.1930 117.9291 57.2853 41.1692 177.2820 48 D 4.4082 8.4024 120.3965 57.3145 40.2307 178.1921 49 Y 3.8598 8.4586 120.0698 60.5299 38.7368 177.9682 50 A 4.0966 8.1596 121.1264 55.3945 18.4375 179.1475 51 E 3.9825 8.2075 116.1769 59.2712 29.8248 178.8673 52 T 4.3092 7.6491 106.6701 61.5014 69.4261 176.3486 53 A 3.7054 7.4255 125.2598 55.2927 18.4189 179.4738 54 K 3.7722 7.9330 117.4178 59.7766 32.0838 178.1471 55 E 3.9121 8.0928 117.4289 59.4444 29.6297 178.2263 56 R 4.1687 8.0643 115.2965 56.7736 30.3479 177.4005 57 G 4.0066 7.8175 107.7224 44.7463 0.0000 174.2444 58 L 4.2684 7.3350 119.4958 55.0155 42.1009 176.9210 59 K 4.5396 8.9589 121.4600 57.0738 34.3667 176.9133 60 V 4.7375 7.6437 118.1295 61.2413 35.5533 173.7186 61 I 5.0943 8.6503 127.0026 59.5934 40.3146 174.4415 62 I 5.0142 9.2810 127.4359 59.4840 39.8839 174.3277 63 A 5.1426 9.4363 129.6155 50.0143 21.6039 174.7665 64 G 4.7849 8.7417 110.1604 44.1874 0.0000 172.7166 65 A 4.7617 8.3069 123.4102 50.8166 22.9332 174.8392 66 G 4.2586 8.2531 105.7660 43.9172 0.0000 175.2360 67 G 4.0151 8.7876 108.7854 46.1233 0.0000 176.9220 68 A 4.1992 8.5206 123.9328 51.2758 16.3378 175.5689 69 A 4.4066 8.0758 122.4641 51.5869 18.0545 176.8899 70 H 4.8548 8.3170 118.3021 56.7931 30.5894 177.2944 71 L 3.8832 8.1235 120.9745 57.7833 42.3280 176.0714 72 P 4.4288 0.0000 0.0000 65.7936 31.5568 179.7775 73 G 3.7349 7.6111 104.4044 46.1120 0.0000 175.5216 *75 V 3.9289 8.0197 120.5709 62.5047 33.1021 177.2119 76 A 3.9531 8.0187 120.7565 55.2374 18.1989 178.6967 77 A 4.1117 7.9052 117.3447 54.2202 18.4673 178.1663 78 K 4.3693 8.0410 113.2028 56.1017 33.2180 175.7849 79 T 4.6459 7.4015 112.4214 60.6167 70.3273 173.4397 80 T 4.2997 8.3427 115.1632 61.8429 69.6204 175.1984 81 L 4.1551 7.6030 123.1381 53.9401 42.4162 175.0107 82 P 4.4029 0.0000 0.0000 63.2793 32.6005 174.9272 83 V 4.9172 8.5451 123.8285 61.0295 34.2822 173.7399 84 L 5.2422 9.2053 128.5641 53.1519 44.0749 175.4619 85 G 4.3888 9.6151 111.9206 44.4290 0.0000 172.3156 86 V 4.4788 8.5694 125.4282 60.4340 33.6805 172.9277 87 P 4.8736 0.0000 0.0000 62.4109 32.2679 175.8616 88 V 4.2802 8.5312 126.0609 61.4217 32.7618 175.6591 89 K 4.0655 8.5852 128.8599 56.1916 31.8956 176.6007 90 S 4.4808 8.5676 121.8024 57.6207 64.1393 175.4583 91 S 4.1752 8.6261 117.7072 61.6370 63.2675 175.8844 92 T 4.0750 8.0013 110.0906 64.0222 69.1253 175.8584 93 L 4.6402 7.7621 120.9339 53.3007 42.2249 176.1161 94 N 4.2568 8.8924 112.8916 54.3129 36.8139 175.6060 95 G 3.9856 8.4974 104.7268 46.0780 0.0000 176.4042 96 Q 3.9890 8.3523 120.4479 58.7291 28.5269 178.1740 97 D 4.3425 8.0416 119.6887 56.7167 39.3039 178.6626 98 S 4.3040 7.9557 117.7525 60.4032 62.9002 176.2569 99 L 4.0288 8.3003 123.3229 58.3304 41.7807 179.1276 100 L 4.0278 7.9456 118.8862 57.8279 41.3234 179.6552 101 S 4.2307 8.0956 114.2368 60.7427 62.7168 175.8876 102 I 4.2162 7.0972 120.1563 63.1986 37.9417 178.0424 103 V 3.9642 7.5873 119.9817 62.7294 31.7544 176.7800 104 Q 4.0515 7.2601 118.4303 54.5460 28.8681 173.6870 *106 P 4.1396 0.0000 0.0000 61.5715 32.6864 175.6655 107 A 4.1089 8.3793 122.4136 53.5661 18.7245 176.6566 108 G 3.8246 8.4242 113.2311 45.7981 0.0000 174.1198 109 I 4.4070 7.1484 121.5688 58.6442 38.9977 172.9020 110 P 4.5746 0.0000 0.0000 61.7805 32.5150 175.8874 111 V 4.5025 7.9657 119.2194 60.8389 34.1203 174.6772 112 A 3.9291 8.6254 130.2376 52.3319 19.1597 176.0197 113 T 4.8587 7.9927 119.1184 62.0837 71.5599 173.8053 114 F 4.9906 8.3618 122.8693 54.8864 42.9369 174.7509 115 A 4.1928 8.6293 121.8576 52.1280 18.7398 177.0236 116 I 4.1757 8.0392 120.8960 62.5254 37.5458 174.9950 117 G 3.6094 8.7257 118.2762 46.0610 0.0000 175.0507 *119 A 4.2461 8.0350 119.7552 51.3903 21.3565 179.6922 120 G 4.2350 8.2648 103.1398 47.2816 0.0000 175.7001 121 A 3.9016 8.0269 123.0598 54.8653 18.4349 179.8426 122 K 3.8028 7.8520 116.4640 59.8220 32.1678 179.2721 123 N 4.2598 8.1146 116.4229 55.8635 38.3113 177.2959 124 A 2.7391 7.7753 122.4514 54.6489 18.3338 179.5255 125 A 3.7809 7.3728 118.6933 55.3592 18.4763 179.8912 126 L 3.6955 7.5665 117.4278 57.8099 41.7354 179.5787 127 F 4.0023 8.4228 120.8328 60.7672 39.2538 177.2564 128 A 4.0327 8.4349 120.9158 54.9641 18.0912 179.2209 129 A 3.8859 8.0566 119.6311 55.5112 18.2017 180.0987 130 S 3.9351 7.5172 111.2798 61.3364 62.8698 176.5962 131 I 3.7777 7.3532 123.2199 64.2364 36.9325 178.2291 132 L 3.8955 8.0352 119.7741 57.0916 41.6038 179.1961 133 Q 4.2326 8.3765 118.4291 59.3843 27.9934 178.3189 134 H 3.9748 7.5488 119.5898 59.1004 29.8761 175.6608 135 T 4.2607 7.3680 108.6364 61.8725 67.5140 174.3178 136 D 4.4724 7.8295 119.8122 52.6783 43.6274 175.3999 137 I 3.7855 8.3444 129.3828 64.2882 37.1923 178.1323 138 N 4.3633 8.2793 117.4604 56.2708 38.2683 177.5427 139 I 3.7545 7.9149 120.6524 64.0620 37.3016 178.0300 140 A 3.9498 8.0099 121.7510 54.9705 18.1626 179.5655 141 K 3.8261 8.2502 117.8482 59.7752 32.3603 178.8805 142 A 4.0187 8.0185 121.0081 54.9857 18.2359 179.4208 143 L 3.8546 8.2543 118.8387 58.2263 42.1909 178.9128 144 A 4.0299 8.0257 120.7836 55.2587 18.2525 179.2503 145 E 3.8869 8.4583 117.8219 59.3596 29.7566 178.6860 146 F 4.2629 8.1942 122.0740 60.8079 39.3359 177.3936 147 R 4.0121 8.3840 117.4269 59.2138 29.8721 178.7637 148 A 3.9712 8.1803 120.6561 55.0653 17.8887 179.0009 149 E 3.8333 8.7743 118.3902 59.7169 29.5280 179.2759 150 Q 3.9771 7.8196 117.3548 59.3393 28.7193 178.4203 151 T 3.8944 8.1168 117.8277 66.5166 68.4602 176.6055 152 R 3.9025 8.3920 121.0346 59.2259 29.8356 178.1688 153 F 3.9722 8.3242 120.0778 61.3230 39.6808 177.0385 154 V 3.6886 7.7453 117.8541 66.0313 31.1531 178.0006 155 L 3.9899 7.7305 117.5861 57.6020 41.5512 178.6699 156 E 4.2352 8.1127 116.2695 56.8037 31.0190 176.3990 157 N 4.9156 7.3464 115.5271 51.0922 38.9108 172.6656 158 P 4.2349 0.0000 0.0000 64.6145 32.5594 176.7568 159 D 4.6200 7.8223 118.9422 52.0856 41.2107 174.1372 160 P 4.4456 0.0000 0.0000 64.2261 31.9214 176.5535 161 R 4.0863 8.5354 123.9839 56.6578 29.8615 176.1969 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 2 S 8.33 4.29 0.00 3.99 3.95 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 3 V 8.40 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 0.78 0.00 0.00 0.88 0.00 0.00 4 Q 9.00 4.63 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 5 V 7.94 4.85 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.97 0.00 0.00 6 G 9.01 4.46 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 0.00 7 V 9.25 4.95 2.34 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 1.15 0.00 0.00 0.93 0.00 0.00 8 I 8.13 5.57 1.63 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.92 0.36 0.00 0.00 *10 G 8.68 4.10 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 0.00 0.00 0.00 11 S 8.26 4.78 0.00 4.00 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 12 K 8.76 3.93 0.00 1.82 1.93 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.47 7.81 13 S 7.58 4.32 0.00 4.14 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 14 D 8.32 4.55 0.00 2.90 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 15 W 8.06 4.55 0.00 3.34 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 16 S 8.12 4.08 0.00 4.00 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 17 T 7.49 4.12 4.37 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 1.14 0.00 0.00 *19 K 8.01 2.69 0.00 0.79 1.09 0.00 1.21 0.00 0.00 1.54 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.99 0.76 7.81 20 E 7.38 3.78 0.00 2.01 1.86 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 2.12 2.33 0.00 21 C 7.82 3.95 0.00 2.92 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 22 C 7.80 3.46 0.00 3.11 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 23 D 8.20 4.33 0.00 2.71 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.43 3.66 1.81 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 1.51 0.99 0.57 0.00 0.00 25 L 7.67 3.91 0.00 1.37 1.64 0.65 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.26 4.52 0.00 2.93 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 27 N 7.98 4.46 0.00 2.92 2.97 0.00 0.00 7.10 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.93 4.40 0.00 1.59 1.68 0.72 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.68 3.87 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 0.00 0.00 0.00 30 I 7.79 4.38 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.79 0.97 0.00 0.00 31 G 8.73 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 32 Y 7.87 5.53 0.00 3.13 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 33 E 9.12 4.93 0.00 2.09 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 0.00 2.30 2.37 0.00 34 C 8.57 6.04 0.00 3.09 3.21 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 0.00 35 E 8.50 4.63 0.00 2.04 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 36 V 8.30 4.04 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 0.77 0.00 0.00 0.87 0.00 0.00 37 V 8.19 4.24 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 0.83 0.00 0.00 0.59 0.00 0.00 38 S 8.92 4.65 0.00 3.97 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 39 A 8.64 4.03 1.16 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 0.00 0.00 40 H 7.99 4.76 0.00 3.14 3.33 0.00 5.71 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.10 4.36 0.00 1.79 1.97 0.00 3.10 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 42 T 7.80 4.74 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 1.20 0.00 0.00 43 P 0.00 4.31 0.00 2.00 2.27 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 44 D 8.15 4.43 0.00 2.72 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 45 K 7.65 3.96 0.00 1.87 1.92 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.14 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.49 7.81 *47 F 8.19 4.80 0.00 3.25 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 48 D 8.40 4.41 0.00 3.01 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 49 Y 8.46 3.86 0.00 3.20 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 50 A 8.16 4.10 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 51 E 8.21 3.98 0.00 2.12 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 2.28 2.32 0.00 52 T 7.65 4.31 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 1.24 0.00 0.00 53 A 7.43 3.71 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 54 K 7.93 3.77 0.00 1.80 1.79 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.49 7.81 55 E 8.09 3.91 0.00 1.97 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 0.00 2.27 2.39 0.00 56 R 8.06 4.17 0.00 1.80 1.89 0.00 3.08 0.00 0.00 3.15 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 57 G 7.82 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 58 L 7.33 4.27 0.00 1.72 1.63 0.82 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.96 4.54 0.00 1.58 1.85 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.51 7.81 60 V 7.64 4.74 2.13 0.00 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0.00 0.00 0.00 78 K 8.04 4.37 0.00 1.47 1.50 0.00 1.29 0.00 0.00 0.83 0.00 0.00 2.13 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.72 0.21 7.81 79 T 7.40 4.65 4.40 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 1.26 0.00 0.00 80 T 8.34 4.30 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 1.20 0.00 0.00 81 L 7.60 4.16 0.00 1.70 1.68 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.40 0.00 2.22 2.29 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.03 0.00 83 V 8.55 4.92 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 1.11 0.00 0.00 1.01 0.00 0.00 84 L 9.21 5.24 0.00 1.66 1.77 1.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 85 G 9.62 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.57 4.48 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 0.98 0.00 0.00 0.92 0.00 0.00 87 P 0.00 4.87 0.00 2.12 2.08 0.00 3.88 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 88 V 8.53 4.28 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 0.73 0.00 0.00 0.94 0.00 0.00 89 K 8.59 4.07 0.00 1.75 1.72 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.42 7.81 90 S 8.57 4.48 0.00 4.04 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 91 S 8.63 4.18 0.00 4.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 T 8.00 4.07 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 93 L 7.76 4.64 0.00 1.69 1.79 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.89 4.26 0.00 2.85 2.86 0.00 0.00 6.97 7.53 0.00 0.00 0.00 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0.67 0.90 0.00 0.00 138 N 8.28 4.36 0.00 2.95 2.87 0.00 0.00 6.91 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 0.00 139 I 7.91 3.75 1.99 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 1.57 0.60 0.95 0.00 0.00 140 A 8.01 3.95 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 0.00 141 K 8.25 3.83 0.00 1.97 1.95 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 142 A 8.02 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.25 3.85 0.00 1.79 1.66 0.82 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.03 4.03 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 0.00 145 E 8.46 3.89 0.00 2.12 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 0.00 2.33 2.39 0.00 146 F 8.19 4.26 0.00 3.22 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 R 8.38 4.01 0.00 2.13 2.03 0.00 3.24 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.85 0.00 148 A 8.18 3.97 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 0.00 149 E 8.77 3.83 0.00 2.17 1.72 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 2.23 2.29 0.00 150 Q 7.82 3.98 0.00 2.22 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.40 0.00 151 T 8.12 3.89 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 152 R 8.39 3.90 0.00 2.00 2.06 0.00 3.18 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.63 0.00 153 F 8.32 3.97 0.00 3.01 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 V 7.75 3.69 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 1.14 0.00 0.00 155 L 7.73 3.99 0.00 1.79 1.69 0.92 0.88 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 0.00 156 E 8.11 4.24 0.00 1.82 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 2.27 2.35 0.00 157 N 7.35 4.92 0.00 2.20 2.42 0.00 0.00 6.98 8.03 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 0.00 158 P 0.00 4.23 0.00 2.14 2.13 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 159 D 7.82 4.62 0.00 2.63 2.59 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 0.00 160 P 0.00 4.45 0.00 2.22 2.16 0.00 3.81 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 161 R 8.54 4.09 0.00 1.85 1.88 0.00 3.52 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.