NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 K 4.2384 8.4145 122.1357 54.6816 33.3145 175.5322 9 K 4.2645 8.3853 115.8124 54.9349 32.2653 171.6841 10 T 4.4916 7.7058 109.9288 62.0300 71.8028 174.6847 11 L 3.7996 9.1060 124.0942 58.2425 42.0174 179.2384 12 W 4.4720 8.2601 127.7045 60.4596 30.6944 177.6326 13 E 3.8450 7.9616 117.3505 58.9280 28.8052 178.6021 14 L 3.9986 7.7764 119.5475 57.6914 41.3291 178.5282 15 V 4.0837 7.3232 110.3742 59.4919 32.5089 176.1240 16 G 3.7959 8.6094 106.7682 47.5929 0.0000 173.8370 17 R 2.0000 7.1512 108.6696 56.0629 28.9025 177.7733 18 N 4.8049 6.4979 111.4282 50.9438 41.9553 173.5726 19 K 4.3958 8.8588 128.4000 60.1681 32.9258 178.9094 20 D 4.3580 8.2481 119.8275 57.1166 40.7359 178.5271 21 A 4.0784 8.1673 120.9162 54.8540 18.4873 179.1235 22 L 4.0023 8.4079 119.3637 58.4325 42.1602 179.1050 23 R 3.9414 8.3260 118.7314 59.5558 30.0161 177.7919 24 D 4.3588 8.6900 118.0663 57.3283 41.3136 177.7295 25 F 4.1056 8.9502 121.3743 61.5292 39.1501 177.0645 26 L 4.1234 7.9685 116.7936 57.7320 41.7527 178.9276 27 K 4.1486 8.4268 119.6748 59.9624 31.8781 178.5567 28 E 3.9587 8.4823 117.5496 58.7718 29.5288 178.1086 29 H 4.7877 7.6077 114.3080 55.3982 29.3594 176.5443 30 R 3.2944 7.3986 124.1160 59.3448 29.7527 177.6979 31 G 3.7483 7.8111 104.1840 46.7565 0.0000 173.7151 32 T 4.4393 7.7485 112.1079 61.6544 69.2569 173.6558 33 I 4.1762 7.7285 121.3816 60.5901 38.7492 174.3807 34 L 5.2507 9.3750 126.7079 52.9955 46.3936 175.2587 35 L 5.2454 9.0782 120.6497 53.0874 45.5157 175.4082 36 R 5.0491 8.7066 124.1815 54.5114 32.1698 174.4834 37 D 4.9946 8.8484 127.6671 54.1966 41.4984 175.7421 38 I 4.4162 8.6880 118.5107 60.7653 37.9548 175.8893 39 A 4.7745 9.3451 123.9789 52.4391 19.3991 177.3762 40 S 4.3241 7.8084 113.5709 56.6561 65.8211 174.8943 *41 E 4.0241 7.0720 118.6362 58.6505 29.6998 177.7377 42 H 4.7374 7.4171 116.6160 54.1578 28.3715 176.3844 43 K 4.5368 8.1422 129.2857 56.2073 30.1954 178.0448 44 V 3.6610 7.4180 120.4372 62.9849 33.3521 175.6221 45 V 4.6257 8.1052 126.4293 61.7668 33.7953 173.9278 46 Y 5.1860 9.2844 123.6142 56.0876 42.3457 174.2901 47 K 4.7879 9.2115 124.4941 54.2051 33.7532 174.0736 48 P 4.7483 0.0000 0.0000 62.7822 32.3138 175.9701 49 I 4.3001 8.5218 124.1573 60.6093 38.6146 174.9516 50 F 5.1249 8.7659 124.3104 55.5655 42.2875 175.7464 51 K 4.1989 9.7794 122.5234 55.9627 32.4270 174.8272 52 R 4.2389 7.7761 130.6388 55.4947 28.4397 175.5560 *53 Y 4.6582 6.7972 128.1784 55.7960 39.4420 173.3010 54 N 4.7235 8.1085 119.2270 51.8646 38.7887 176.0121 55 G 3.9476 8.1521 106.9082 46.4212 0.0000 173.5541 56 D 4.9755 8.2174 119.7816 52.6421 42.2486 174.4622 57 P 4.1471 0.0000 0.0000 63.1563 32.4732 175.8556 58 D 4.6117 8.7702 122.0583 53.4684 41.3192 174.7044 59 L 5.1707 8.2607 125.0546 52.8106 44.8030 176.1655 60 I 4.2755 8.5103 123.9283 60.1173 38.5003 174.7867 61 E 4.6107 8.7638 126.7581 55.1400 31.2929 175.6865 62 D 4.3620 8.4948 119.6142 56.1916 38.6524 174.8892 63 N 4.9770 7.4655 115.5696 50.8486 39.1924 174.1236 64 S 4.1278 8.0179 117.3811 60.9190 63.3435 176.4478 65 N 4.2689 8.1027 119.8213 56.5113 38.4334 176.9012 66 D 4.2311 8.5597 120.3383 57.0092 40.8466 178.7766 67 V 3.6743 7.9464 118.9925 66.2429 31.3972 177.7432 68 E 3.9248 8.4459 119.0996 59.3617 29.4352 178.1476 69 H 3.9772 8.0783 118.2480 59.1974 29.9127 177.3546 70 W 4.5188 8.0107 120.6481 59.7838 28.4361 177.9102 71 Y 4.3841 8.4996 119.6867 61.1487 38.2824 178.0473 72 D 4.4908 8.7551 120.1466 57.3076 40.8264 178.0065 73 Y 4.0108 8.4978 120.5202 61.1166 38.8285 177.9004 74 H 3.8820 8.5428 116.9406 58.7625 28.8506 177.3889 75 L 3.1313 7.3785 121.6211 58.1234 41.5464 178.9999 76 E 3.9198 8.1319 119.8830 59.8380 29.4487 179.8424 77 R 3.6303 7.3692 120.0799 60.4276 29.3430 179.3217 78 Y 4.8912 7.5536 114.3402 57.5757 40.6069 176.1613 79 W 4.6750 7.9743 120.3893 56.1522 29.6855 176.1478 80 N 4.8049 8.1782 113.0794 53.0555 37.4577 175.0541 81 T 4.6625 7.3253 108.8317 59.4198 72.2339 173.0483 82 P 4.3532 0.0000 0.0000 66.6120 30.9978 178.3026 83 E 4.1480 8.1128 117.3122 59.4432 29.6066 179.1368 84 L 4.2269 8.1182 118.8757 57.5825 41.6059 179.6191 85 K 3.9256 8.7953 120.2442 59.4867 32.2638 179.1151 86 K 4.2894 8.0201 118.7345 59.2606 31.8782 179.3440 87 E 3.9917 8.2971 118.6483 59.3720 29.5983 178.1657 88 F 3.0274 8.2745 120.4702 61.9299 39.2237 177.0173 89 Y 4.3433 8.1448 115.7916 60.9625 37.4767 179.1306 90 K 3.9749 7.7299 118.5923 59.2798 32.2639 179.2706 91 K 3.7229 8.0212 117.5680 59.0263 31.9934 178.6946 92 F 4.7947 7.6208 115.0892 56.2022 40.4121 176.8501 93 G 3.9912 8.0526 106.4249 43.7310 0.0000 171.1462 94 P 4.8142 0.0000 0.0000 61.1238 32.0577 176.5656 95 V 3.1259 7.5940 119.1025 61.9582 31.5564 175.6215 96 D 4.6147 9.2456 124.2750 52.7849 40.0912 176.7381 97 L 4.1104 8.2564 126.6382 56.5540 41.8759 177.9130 98 N 4.7107 8.4567 115.4244 53.0938 39.0516 175.4712 99 Q 3.3769 7.2857 116.9048 54.8306 29.1288 174.1092 100 P 4.6078 0.0000 0.0000 62.5544 33.2502 174.7996 101 I 4.4070 8.5246 120.9524 59.6310 39.6200 175.1463 102 I 4.3421 8.2445 127.9958 60.1227 38.6654 175.1519 103 L 4.6844 8.5345 127.7111 54.6608 42.7431 176.0602 104 A 4.9992 8.6754 123.7376 50.9219 23.6419 174.5876 105 K 5.1272 8.9773 120.4851 53.8214 35.2562 173.7974 106 P 4.2399 0.0000 0.0000 62.8448 32.3025 176.8008 107 L 4.5169 8.8295 124.3999 53.5390 40.4737 175.8921 108 R 4.5862 7.7567 118.8279 54.0719 32.7493 175.3496 109 Q 3.9211 8.3218 116.3969 57.4342 29.5525 175.4592 110 H 4.0053 8.4140 115.4222 57.3632 25.4832 174.8341 111 N 5.1336 7.5894 112.9123 51.8147 38.1676 177.0109 112 R 3.9437 8.1870 119.4953 59.3580 30.2770 177.7834 113 G 3.7364 7.9410 104.9679 47.1033 0.0000 173.1859 114 D 4.3719 7.9794 120.2388 54.5084 40.4017 174.5736 115 L 4.9482 8.2805 126.5107 53.3014 44.0838 175.5647 116 V 4.4115 9.3366 125.3267 61.3703 35.5091 173.5476 117 H 5.1475 8.1538 121.9439 54.1264 30.1662 174.1134 118 L 4.5257 8.3118 123.1921 52.6929 45.0580 175.4166 119 L 4.4149 8.0539 121.8036 52.7913 42.8355 175.8910 120 P 4.1681 0.0000 0.0000 65.6847 31.4985 178.2028 121 Q 4.1255 7.9898 118.3193 58.3267 29.0762 176.8944 122 F 4.8907 8.4588 114.5151 57.0021 40.4184 174.7510 123 V 5.2022 7.7220 114.4444 59.5591 35.2822 175.0025 124 V 4.8883 8.3229 115.7675 58.6993 35.0914 173.7037 125 P 5.0215 0.0000 0.0000 62.9735 32.4804 175.7058 126 V 4.2362 10.0683 121.3018 61.3892 34.6634 173.9181 127 Y 4.4178 9.1218 125.8614 56.9051 38.6887 175.0263 128 N 4.4468 8.8486 122.5597 53.8956 38.9660 173.9670 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 8 K 8.41 4.24 0.00 1.79 1.72 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 9 K 8.39 4.26 0.00 1.84 1.72 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.30 1.06 7.81 10 T 7.71 4.49 4.66 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 1.47 0.00 0.00 11 L 9.11 3.80 0.00 1.77 1.77 0.51 1.42 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 12 W 8.26 4.47 0.00 3.40 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 13 E 7.96 3.84 0.00 2.19 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 2.39 2.47 0.00 14 L 7.78 4.00 0.00 1.63 1.65 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.32 4.08 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 0.65 0.00 0.00 0.90 0.00 0.00 16 G 8.61 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 17 R 7.15 2.00 0.00 1.56 1.62 0.00 3.02 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.13 0.00 18 N 6.50 4.80 0.00 2.52 2.62 0.00 0.00 7.03 6.63 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 19 K 8.86 4.40 0.00 2.15 2.27 0.00 1.63 0.00 0.00 1.87 0.00 0.00 3.17 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.60 7.81 20 D 8.25 4.36 0.00 2.85 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 21 A 8.17 4.08 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 22 L 8.41 4.00 0.00 2.09 2.07 1.08 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.33 3.94 0.00 2.05 2.16 0.00 3.20 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 24 D 8.69 4.36 0.00 2.96 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 25 F 8.95 4.11 0.00 3.28 3.34 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 26 L 7.97 4.12 0.00 1.84 1.89 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.43 4.15 0.00 2.02 2.01 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.62 7.81 28 E 8.48 3.96 0.00 1.77 1.75 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 2.29 2.56 0.00 29 H 7.61 4.79 0.00 3.05 3.17 0.00 5.86 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.40 3.29 0.00 1.04 1.61 0.00 2.43 0.00 0.00 2.85 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 31 G 7.81 3.75 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 0.00 0.00 0.00 32 T 7.75 4.44 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 1.27 0.00 0.00 33 I 7.73 4.18 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.96 1.16 0.00 0.00 34 L 9.37 5.25 0.00 1.75 1.57 1.01 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 35 L 9.08 5.25 0.00 1.64 1.60 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.71 5.05 0.00 1.93 1.83 0.00 3.12 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 37 D 8.85 4.99 0.00 2.88 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 38 I 8.69 4.42 2.05 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 1.05 0.00 0.00 39 A 9.35 4.77 0.15 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 0.00 0.00 40 S 7.81 4.32 0.00 3.82 3.42 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 0.00 *41 E 7.07 4.02 0.00 1.99 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 2.23 1.90 0.00 42 H 7.42 4.74 0.00 3.05 3.24 0.00 5.67 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.14 4.54 0.00 1.71 1.80 0.00 1.88 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.52 7.81 44 V 7.42 3.66 1.80 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 0.30 0.00 0.00 0.97 0.00 0.00 45 V 8.11 4.63 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 0.99 0.00 0.00 0.98 0.00 0.00 46 Y 9.28 5.19 0.00 2.89 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 47 K 9.21 4.79 0.00 1.89 1.75 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.56 7.81 48 P 0.00 4.75 0.00 1.72 1.82 0.00 3.96 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 2.14 2.17 0.00 49 I 8.52 4.30 1.88 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 1.23 0.77 0.91 0.00 0.00 50 F 8.77 5.12 0.00 2.97 2.99 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 0.00 0.00 0.00 51 K 9.78 4.20 0.00 1.94 1.81 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.39 7.81 52 R 7.78 4.24 0.00 1.80 1.88 0.00 3.40 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 *53 Y 6.80 4.66 0.00 2.39 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 0.00 0.00 0.00 54 N 8.11 4.72 0.00 2.82 2.96 0.00 0.00 6.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.15 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 0.00 0.00 0.00 56 D 8.22 4.98 0.00 2.70 2.65 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 57 P 0.00 4.15 0.00 1.90 1.70 0.00 3.86 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 58 D 8.77 4.61 0.00 2.66 2.53 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 59 L 8.26 5.17 0.00 1.51 1.48 0.94 0.82 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 60 I 8.51 4.28 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.56 0.89 0.00 0.00 61 E 8.76 4.61 0.00 1.84 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 2.24 2.32 0.00 62 D 8.49 4.36 0.00 3.07 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 63 N 7.47 4.98 0.00 2.66 2.64 0.00 0.00 6.80 7.63 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 64 S 8.02 4.13 0.00 4.05 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 65 N 8.10 4.27 0.00 2.92 2.86 0.00 0.00 7.19 8.08 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 66 D 8.56 4.23 0.00 2.86 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 67 V 7.95 3.67 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 1.01 0.00 0.00 0.86 0.00 0.00 68 E 8.45 3.92 0.00 2.14 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 2.51 2.29 0.00 69 H 8.08 3.98 0.00 3.02 3.01 0.00 5.64 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 70 W 8.01 4.52 0.00 3.54 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 71 Y 8.50 4.38 0.00 3.23 3.22 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 0.00 72 D 8.76 4.49 0.00 2.89 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 73 Y 8.50 4.01 0.00 2.77 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 74 H 8.54 3.88 0.00 3.38 3.29 0.00 5.88 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.38 3.13 0.00 0.88 1.48 0.21 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.13 3.92 0.00 1.83 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 2.26 2.32 0.00 77 R 7.37 3.63 0.00 1.90 1.84 0.00 3.20 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 78 Y 7.55 4.89 0.00 2.99 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.97 4.67 0.00 3.13 3.32 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 80 N 8.18 4.80 0.00 2.75 3.01 0.00 0.00 6.15 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 81 T 7.33 4.66 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 1.19 0.00 0.00 82 P 0.00 4.35 0.00 2.28 2.31 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 83 E 8.11 4.15 0.00 2.12 2.08 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 2.43 2.49 0.00 84 L 8.12 4.23 0.00 1.93 2.00 0.79 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.80 3.93 0.00 1.99 1.98 0.00 1.80 0.00 0.00 1.90 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.15 1.34 7.81 86 K 8.02 4.29 0.00 2.07 1.95 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.58 7.81 87 E 8.30 3.99 0.00 2.43 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 2.48 2.47 0.00 88 F 8.27 3.03 0.00 2.35 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 89 Y 8.14 4.34 0.00 3.17 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 90 K 7.73 3.97 0.00 2.15 1.83 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.47 1.35 7.81 91 K 8.02 3.72 0.00 0.79 0.74 0.00 1.27 0.00 0.00 1.34 0.00 0.00 3.04 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.14 1.19 7.81 92 F 7.62 4.79 0.00 2.52 3.03 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 93 G 8.05 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.81 0.00 2.16 2.04 0.00 3.46 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.90 0.00 95 V 7.59 3.13 0.67 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 0.41 0.00 0.00 0.63 0.00 0.00 96 D 9.25 4.61 0.00 2.84 2.57 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 0.00 0.00 0.00 0.00 97 L 8.26 4.11 0.00 1.64 1.66 0.87 1.04 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 98 N 8.46 4.71 0.00 2.93 2.94 0.00 0.00 6.98 8.50 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 99 Q 7.29 3.38 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.94 0.00 0.00 0.00 0.00 0.00 2.11 1.80 0.00 100 P 0.00 4.61 0.00 2.02 2.06 0.00 3.12 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.01 0.00 101 I 8.52 4.41 1.76 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.72 0.79 0.00 0.00 102 I 8.24 4.34 1.73 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 1.16 0.80 0.80 0.00 0.00 103 L 8.53 4.68 0.00 1.78 1.53 0.70 0.52 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 0.00 104 A 8.68 5.00 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 0.00 105 K 8.98 5.13 0.00 1.94 1.67 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.31 1.21 7.81 106 P 0.00 4.24 0.00 1.88 1.72 0.00 3.87 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 1.96 2.03 0.00 107 L 8.83 4.52 0.00 1.56 1.64 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.76 4.59 0.00 1.81 1.78 0.00 3.01 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.58 0.00 109 Q 8.32 3.92 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 110 H 8.41 4.01 0.00 3.32 3.44 0.00 5.87 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 N 7.59 5.13 0.00 2.91 3.18 0.00 0.00 6.72 7.66 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 0.00 112 R 8.19 3.94 0.00 1.84 2.08 0.00 3.21 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 113 G 7.94 3.74 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 0.00 0.00 0.00 114 D 7.98 4.37 0.00 2.89 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 0.00 115 L 8.28 4.95 0.00 1.63 1.54 0.93 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 0.00 116 V 9.34 4.41 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 0.62 0.00 0.00 1.07 0.00 0.00 117 H 8.15 5.15 0.00 2.31 2.84 0.00 5.72 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.31 4.53 0.00 1.35 1.31 0.52 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.05 4.41 0.00 1.11 1.33 0.55 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.17 0.00 1.81 2.19 0.00 3.43 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.93 0.00 121 Q 7.99 4.13 0.00 1.81 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.73 0.00 0.00 0.00 0.00 0.00 2.20 2.46 0.00 122 F 8.46 4.89 0.00 2.97 2.52 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 0.00 123 V 7.72 5.20 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 0.85 0.00 0.00 1.01 0.00 0.00 124 V 8.32 4.89 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 0.95 0.00 0.00 0.96 0.00 0.00 125 P 0.00 5.02 0.00 2.23 2.32 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 126 V 10.07 4.24 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 0.66 0.00 0.00 0.95 0.00 0.00 127 Y 9.12 4.42 0.00 2.99 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 0.00 128 N 8.85 4.45 0.00 2.75 2.81 0.00 0.00 7.08 7.56 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 * Residues marked with a * may have inaccurate shift predictions.