NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0416 8.1633 120.7035 55.1518 33.8441 173.8487 2 R 4.9281 9.1019 122.2824 51.7129 33.9538 169.7134 3 V 4.9676 8.4394 122.2396 59.9548 35.6825 174.0736 4 V 4.7962 8.9276 124.2104 61.5446 33.4603 174.1500 5 I 5.0176 8.8789 129.6988 59.8086 39.5274 174.7526 6 Q 5.1832 9.0469 125.8036 53.8535 32.3478 174.8607 7 R 4.3847 8.8257 124.9445 56.4524 31.4037 175.6636 8 V 5.0407 8.8509 118.1595 59.9689 35.9246 176.1749 9 K 4.2372 8.9926 121.9899 57.5711 33.0289 176.9077 10 G 4.3894 7.6058 104.9636 45.3030 0.0000 172.1973 11 A 5.2643 8.5248 121.5524 50.2882 23.3414 175.5201 12 I 4.7482 8.8319 122.1407 59.4583 40.5138 174.2972 13 L 4.9127 8.8953 130.7489 54.0962 43.5707 175.6413 14 S 5.3374 9.3160 121.6139 56.9177 67.3405 173.2706 15 V 4.9951 8.5219 114.4921 59.1280 35.9700 175.5084 16 R 4.2118 8.8455 123.8079 56.5757 30.2530 177.8889 17 K 4.1261 8.7323 124.6679 55.4111 31.9928 172.4600 18 E 4.4618 8.5676 119.6174 56.1764 30.0245 175.9417 *27 L 4.4669 7.6732 117.6528 55.5811 43.1270 175.9202 28 E 4.7321 9.0919 122.2752 54.5543 33.3952 174.4502 29 I 4.5954 8.4814 127.5711 61.4696 37.6750 175.7119 30 I 4.6932 8.6637 117.0815 60.3764 39.2115 175.0457 31 S 4.6947 7.8625 116.5197 57.5568 65.7882 172.4279 32 E 5.2885 8.5099 125.6115 55.0851 32.4984 173.9208 33 I 4.8349 8.8579 119.7283 58.2812 41.5028 175.5237 34 K 4.6201 8.9145 128.0063 55.8586 30.7376 178.1410 35 N 4.5661 8.6061 125.2004 53.1558 39.1542 175.2173 36 G 4.2239 7.2992 108.3454 46.1012 0.0000 170.2965 37 L 5.2973 7.9244 119.6569 53.0993 44.5839 175.5309 38 I 4.5588 8.4773 123.3904 59.5919 40.0571 173.8853 39 C 5.1011 8.6460 127.5845 58.0083 30.6392 173.1684 40 F 4.8389 9.4399 124.9023 56.6074 40.0715 174.7359 41 L 5.0386 9.5971 127.3897 53.2692 44.3852 175.0441 42 G 4.5159 9.6796 115.0931 44.7358 0.0000 171.8692 43 I 5.0244 8.7425 126.3260 60.2574 39.5191 174.6736 44 H 4.1240 9.6830 129.7861 55.1668 31.1063 176.5977 45 K 3.7728 7.8989 125.5069 57.3710 31.4692 178.6724 46 N 5.0735 8.1571 114.4938 52.8068 39.1574 174.3252 47 D 4.7203 7.7853 118.5479 54.3184 41.7638 176.5261 48 T 4.7923 8.8112 113.8287 59.5888 71.3162 175.4276 49 W 4.4844 8.9084 130.3457 60.6499 30.5413 177.4926 50 E 3.9892 8.1156 117.5952 59.3357 28.7097 178.9123 51 D 4.3445 8.0701 118.3176 57.4204 40.9543 178.8117 52 A 3.9741 7.9110 120.6510 55.0252 18.3400 179.3280 53 L 3.4377 7.7515 117.7902 57.8484 41.5289 179.1627 54 Y 3.8202 7.7910 119.0987 60.6882 38.7048 177.9155 55 I 3.6830 7.4946 120.6999 64.7793 37.4016 178.3835 56 I 3.1746 7.4460 120.1781 64.0635 36.6711 178.5414 57 R 3.7186 7.8855 119.5867 59.4246 29.9650 178.8177 58 K 3.8590 7.8914 118.4421 59.5194 31.7366 179.1774 59 C 4.2219 8.2090 116.5453 62.8684 28.1999 175.8185 60 L 4.2483 7.8587 118.7004 56.3608 41.4275 177.3718 61 N 4.9081 7.5676 113.2221 52.6347 40.8357 174.9735 62 L 3.9269 7.9660 119.6938 55.1902 42.2924 176.8027 63 R 4.8310 8.5921 123.0677 55.5374 28.9167 176.1604 64 L 5.2020 8.5761 120.0731 54.0359 43.2695 176.1363 65 W 4.7325 8.4741 119.9616 54.6585 32.1517 175.4406 66 N 4.6755 8.6650 120.3584 53.3708 39.6608 173.9730 67 N 4.6645 9.1209 121.4759 52.6282 38.9108 173.6794 68 D 4.2145 9.4895 126.8163 54.6044 39.7130 171.5664 69 N 4.7968 8.3101 123.7970 54.1758 37.7324 174.5069 70 K 4.0572 8.0217 118.1350 56.5699 32.4565 176.4413 71 T 4.6734 8.2205 113.7787 60.8068 70.4492 174.2921 72 W 4.2840 7.7957 120.0383 58.0065 26.2661 173.5648 73 D 4.9122 8.7203 118.0426 54.9412 43.5916 177.0297 74 K 4.9729 8.1645 117.1106 54.5949 35.0657 175.8653 75 N 5.6891 9.2895 121.8546 50.5932 39.8490 176.2567 76 V 3.4104 8.8070 118.6512 64.9721 31.0465 178.6240 77 K 3.5585 7.8011 118.3253 59.2878 31.7862 178.5345 78 D 4.3627 8.1915 118.0607 57.3135 40.8814 178.4151 79 L 3.8894 7.0033 115.7610 53.2436 41.9156 175.9283 80 N 4.2823 7.8906 116.1796 53.8584 37.7882 173.4790 81 Y 4.9195 7.8485 114.0842 57.1558 40.0123 174.6256 82 E 4.9669 8.8256 119.5676 54.9657 33.1251 175.3681 83 L 5.2244 8.6546 119.9602 53.0081 45.6247 175.6655 84 L 4.7775 8.8711 126.5247 53.6686 43.5772 175.1100 85 I 4.5533 8.7079 129.2713 59.9536 38.8714 175.1212 86 V 4.6430 8.6066 128.2641 60.6019 34.1297 174.8619 87 S 4.6848 8.6852 123.1561 58.6803 63.9716 174.7675 88 Q 4.5052 9.4306 124.8993 54.6882 29.3862 174.7761 89 F 4.5669 8.2341 119.0973 59.0651 38.8444 178.4657 90 T 4.1686 6.9120 111.2676 64.0139 68.3905 175.6599 91 L 3.9822 7.6295 120.9857 56.7922 41.5905 177.3857 92 F 4.8497 8.4860 116.6083 56.8839 39.8755 176.0113 93 G 3.4750 8.5814 108.0538 46.7726 0.0000 172.9492 94 N 4.8955 9.3225 127.0431 52.6386 40.1075 175.4007 95 T 4.4712 8.5177 116.5240 61.6449 69.9746 175.4449 96 K 4.0049 8.3087 127.0005 57.8384 32.2986 183.1977 97 K 4.5792 7.8080 118.9404 52.0568 31.7604 175.8944 98 G 4.1705 7.6038 107.0279 44.1613 0.0000 172.3112 99 N 4.5520 8.6929 118.1238 53.4143 38.6107 176.2243 100 K 4.4421 7.5991 120.8875 51.5780 32.6212 178.5038 101 P 4.4426 0.0000 0.0000 61.9515 31.7906 175.6413 102 D 4.5569 8.0917 119.5848 51.5117 42.3205 175.8723 103 F 5.4476 8.1539 117.8634 57.5302 39.6858 176.9855 104 H 4.4364 8.1424 118.3733 58.5064 29.1656 177.5969 105 L 3.9509 7.9597 118.3003 56.2069 41.9802 176.2473 106 A 4.1573 7.5314 121.7985 51.1235 18.6600 177.5182 107 K 3.7361 8.2593 124.7714 56.7309 32.8704 176.2277 108 E 3.9752 8.8803 127.2637 56.1127 30.5347 175.7169 109 P 4.3983 0.0000 0.0000 65.9955 30.8212 178.8630 110 N 4.3140 8.3651 115.0409 56.4154 38.5491 177.4422 111 E 4.0246 8.2575 118.8714 59.2338 29.5495 179.0691 112 A 4.1381 8.3362 121.1354 55.3060 18.3646 179.3902 113 L 3.0284 7.6581 118.1436 58.0206 42.0362 179.2957 114 I 3.6848 7.4134 118.8132 64.2871 37.0538 177.9724 115 F 3.9949 8.5515 121.6413 61.5751 39.2159 176.3168 116 Y 4.3733 8.9771 119.2571 61.0998 38.5850 177.8788 117 N 4.3610 8.7264 117.4760 56.3967 38.6972 177.4595 118 K 3.8898 8.5681 120.1410 59.4933 32.0317 179.3642 119 I 3.7989 8.2768 120.4032 64.6147 37.0679 178.4803 120 I 3.8337 8.1105 120.9411 64.4673 36.8291 178.1954 121 D 4.3739 8.3788 119.8189 57.4449 40.6217 178.4423 122 E 4.0065 8.4357 119.7085 59.2325 29.5763 178.7312 123 F 4.2009 8.3674 117.9045 60.8135 38.8009 177.9054 124 K 4.1142 8.2665 117.9305 59.2187 31.5466 179.4549 125 K 4.0351 8.0563 119.5124 59.4587 32.2971 178.4544 126 Q 4.3204 8.4118 116.4246 55.9387 28.9902 175.6261 127 Y 4.8512 8.3471 117.1047 57.1874 39.6666 175.3338 128 N 4.7120 5.7700 109.3158 52.3002 43.4222 173.7576 129 D 4.2805 8.8131 125.3100 57.4980 41.4292 177.3585 130 D 4.2694 8.8716 116.6123 55.6277 41.5236 176.4451 131 K 4.1152 7.6460 117.2539 56.8708 32.6617 175.5007 132 I 4.6917 6.9997 120.1156 59.6910 38.2055 175.4558 133 K 4.6981 8.8987 127.6836 55.0052 34.6501 175.6482 134 I 5.1786 7.5422 114.3222 58.5968 41.3937 173.9205 135 G 4.0263 8.1551 109.4849 44.4520 0.0000 173.7283 136 K 4.3691 8.4128 120.8409 54.5550 31.1479 175.3008 137 F 3.9029 8.6884 128.0248 59.7924 39.4349 175.9469 138 G 3.9864 8.1750 114.9141 45.7054 0.0000 172.9111 139 N 4.9160 7.6552 116.6548 51.3496 40.3126 174.3439 140 Y 4.0915 8.4987 122.1611 58.1257 39.4530 175.1867 141 M 4.9115 7.3515 125.2686 53.3925 36.3077 174.1408 142 N 4.7316 9.1930 121.1321 52.0185 41.2053 173.4563 143 I 4.9629 8.2647 127.2357 59.5979 39.7236 175.0337 144 D 4.6593 8.8169 128.8093 53.6095 41.8841 175.8769 145 V 4.6238 8.3694 123.6786 61.4443 34.0999 175.4695 146 T 4.3934 8.8763 125.7705 62.2189 68.5321 173.1946 147 N 4.7751 8.5899 123.8466 53.2965 39.4439 174.6903 148 D 4.2994 10.2969 125.1758 54.6252 40.7651 173.5182 149 G 3.5624 8.7199 116.6785 44.2208 0.0000 171.2669 150 P 4.5192 0.0000 0.0000 61.0776 33.1167 175.7224 151 V 4.3806 8.0619 116.8402 61.6405 34.2127 173.9010 152 T 5.0716 8.6654 124.8009 61.8831 70.7234 173.7773 153 I 4.6409 8.9870 127.5998 59.5739 40.4923 174.0871 154 Y 5.2237 8.5243 125.4808 55.9709 41.9327 174.5232 155 I 4.5003 7.5244 125.4081 59.4345 41.8871 173.5702 156 D 5.1799 8.3958 125.9453 52.4326 43.1351 176.3589 157 T 3.7104 8.8641 117.6905 64.0800 69.2650 175.1103 158 H 4.6797 8.1656 118.4154 56.1297 28.5269 175.0419 159 D 4.5510 7.7727 125.7708 54.4624 40.8628 176.2078 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 1 M 8.16 5.04 0.00 1.73 2.02 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.10 4.93 0.00 1.35 1.61 0.00 2.34 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 3 V 8.44 4.97 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 0.66 0.00 0.00 1.08 0.00 0.00 4 V 8.93 4.80 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 0.98 0.00 0.00 1.10 0.00 0.00 5 I 8.88 5.02 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.52 0.93 0.00 0.00 6 Q 9.05 5.18 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 7 R 8.83 4.38 0.00 1.63 1.79 0.00 2.21 0.00 0.00 2.49 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.71 0.00 8 V 8.85 5.04 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 0.86 0.00 0.00 0.97 0.00 0.00 9 K 8.99 4.24 0.00 1.61 1.84 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.41 7.81 10 G 7.61 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 11 A 8.52 5.26 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 12 I 8.83 4.75 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 1.11 0.70 0.91 0.00 0.00 13 L 8.90 4.91 0.00 1.68 1.51 0.89 0.75 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 S 9.32 5.34 0.00 3.76 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 15 V 8.52 5.00 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 0.84 0.00 0.00 0.97 0.00 0.00 16 R 8.85 4.21 0.00 1.87 1.91 0.00 3.09 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 17 K 8.73 4.13 0.00 1.77 1.63 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.03 7.81 18 E 8.57 4.46 0.00 2.08 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 2.25 2.33 0.00 *27 L 7.67 4.47 0.00 1.61 1.73 1.03 1.02 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 28 E 9.09 4.73 0.00 1.98 1.74 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 2.22 2.29 0.00 29 I 8.48 4.60 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.66 0.97 0.00 0.00 30 I 8.66 4.69 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 1.13 0.68 0.97 0.00 0.00 31 S 7.86 4.69 0.00 3.91 3.67 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 32 E 8.51 5.29 0.00 1.96 1.74 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 2.18 2.47 0.00 33 I 8.86 4.83 1.84 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 1.19 0.58 0.88 0.00 0.00 34 K 8.91 4.62 0.00 1.80 1.25 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.50 7.81 35 N 8.61 4.57 0.00 1.44 1.48 0.00 0.00 6.65 7.59 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 36 G 7.30 4.22 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 0.00 0.00 0.00 37 L 7.92 5.30 0.00 1.68 1.61 1.08 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.48 4.56 1.78 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 1.44 1.05 0.00 0.00 39 C 8.65 5.10 0.00 2.81 2.84 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 40 F 9.44 4.84 0.00 2.92 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.60 5.04 0.00 1.82 1.75 1.20 1.16 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 42 G 9.68 4.52 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 0.00 0.00 0.00 43 I 8.74 5.02 2.02 0.00 0.00 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 1.44 1.26 0.61 0.00 0.00 44 H 9.68 4.12 0.00 3.13 3.41 0.00 5.61 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.90 3.77 0.00 1.79 1.74 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.40 1.32 7.81 46 N 8.16 5.07 0.00 2.67 2.83 0.00 0.00 6.93 8.06 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 47 D 7.79 4.72 0.00 2.51 2.37 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 48 T 8.81 4.79 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 1.30 0.00 0.00 49 W 8.91 4.48 0.00 3.38 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 50 E 8.12 3.99 0.00 2.25 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 2.23 0.00 51 D 8.07 4.34 0.00 3.11 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 52 A 7.91 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.75 3.44 0.00 1.59 1.55 0.59 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.79 3.82 0.00 3.16 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 55 I 7.49 3.68 1.98 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 0.90 1.01 0.00 0.00 56 I 7.45 3.17 1.48 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 -0.30 0.51 0.20 0.00 0.00 57 R 7.89 3.72 0.00 1.75 1.80 0.00 3.00 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 58 K 7.89 3.86 0.00 1.72 1.72 0.00 1.59 0.00 0.00 1.41 0.00 0.00 2.55 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.74 1.23 7.81 59 C 8.21 4.22 0.00 3.29 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 60 L 7.86 4.25 0.00 1.70 1.65 1.02 0.97 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 61 N 7.57 4.91 0.00 2.68 2.78 0.00 0.00 7.00 9.14 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 62 L 7.97 3.93 0.00 1.79 1.63 0.89 0.67 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 63 R 8.59 4.83 0.00 2.06 2.16 0.00 3.11 0.00 0.00 3.39 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.91 0.00 64 L 8.58 5.20 0.00 0.81 1.41 0.81 1.01 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 65 W 8.47 4.73 0.00 3.50 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 66 N 8.67 4.68 0.00 2.58 2.71 0.00 0.00 6.53 6.92 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 67 N 9.12 4.66 0.00 2.63 2.78 0.00 0.00 7.17 8.34 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 68 D 9.49 4.21 0.00 2.79 2.63 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 69 N 8.31 4.80 0.00 2.76 3.22 0.00 0.00 7.32 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.02 4.06 0.00 1.86 1.75 0.00 1.72 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.43 7.81 71 T 8.22 4.67 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 1.02 0.00 0.00 72 W 7.80 4.28 0.00 3.52 3.37 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 73 D 8.72 4.91 0.00 2.66 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 74 K 8.16 4.97 0.00 1.82 1.67 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.34 7.81 75 N 9.29 5.69 0.00 2.99 3.20 0.00 0.00 6.60 6.96 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 76 V 8.81 3.41 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 1.11 0.00 0.00 1.17 0.00 0.00 77 K 7.80 3.56 0.00 1.75 1.60 0.00 1.38 0.00 0.00 1.47 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 1.13 7.81 78 D 8.19 4.36 0.00 2.69 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 79 L 7.00 3.89 0.00 0.27 0.13 0.21 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.89 4.28 0.00 2.67 2.83 0.00 0.00 7.15 7.44 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 81 Y 7.85 4.92 0.00 2.67 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 82 E 8.83 4.97 0.00 1.92 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 2.22 2.29 0.00 83 L 8.65 5.22 0.00 1.41 1.29 1.09 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.87 4.78 0.00 1.67 1.44 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.71 4.55 1.80 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.37 0.96 0.00 0.00 86 V 8.61 4.64 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 0.96 0.00 0.00 0.72 0.00 0.00 87 S 8.69 4.68 0.00 3.43 3.36 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 88 Q 9.43 4.51 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 89 F 8.23 4.57 0.00 3.34 3.30 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 0.00 0.00 0.00 0.00 90 T 6.91 4.17 4.20 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 0.35 0.00 0.00 91 L 7.63 3.98 0.00 1.53 1.47 0.96 0.58 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 92 F 8.49 4.85 0.00 3.28 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 3.47 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 0.00 0.00 0.00 94 N 9.32 4.90 0.00 2.73 2.83 0.00 0.00 6.29 6.47 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 95 T 8.52 4.47 4.19 0.00 0.00 0.00 0.00 0.00 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 96 K 8.31 4.00 0.00 1.81 1.77 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.26 7.81 97 K 7.81 4.58 0.00 1.73 1.62 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.24 0.96 7.81 98 G 7.60 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 99 N 8.69 4.55 0.00 2.71 2.83 0.00 0.00 6.63 7.61 0.00 0.00 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 K 7.60 4.44 0.00 1.74 1.61 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 0.95 7.81 101 P 0.00 4.44 0.00 1.73 1.97 0.00 3.68 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 2.07 2.02 0.00 102 D 8.09 4.56 0.00 2.69 2.56 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 0.00 103 F 8.15 5.45 0.00 3.13 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.14 4.44 0.00 3.13 3.34 0.00 5.65 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.96 3.95 0.00 1.70 1.41 1.09 1.03 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 0.00 106 A 7.53 4.16 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 0.00 107 K 8.26 3.74 0.00 1.84 1.79 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.72 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.37 7.81 108 E 8.88 3.98 0.00 2.03 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 0.00 2.37 2.29 0.00 109 P 0.00 4.40 0.00 2.23 2.20 0.00 3.62 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 2.07 2.10 0.00 110 N 8.37 4.31 0.00 3.23 2.85 0.00 0.00 6.99 7.76 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 0.00 111 E 8.26 4.02 0.00 2.08 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 2.36 2.58 0.00 112 A 8.34 4.14 1.69 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 0.00 0.00 113 L 7.66 3.03 0.00 0.88 1.54 0.27 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.41 3.68 2.07 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.35 0.91 0.00 0.00 115 F 8.55 3.99 0.00 3.44 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 0.00 116 Y 8.98 4.37 0.00 3.47 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 0.00 117 N 8.73 4.36 0.00 2.95 2.89 0.00 0.00 7.10 8.59 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 0.00 118 K 8.57 3.89 0.00 1.89 1.56 0.00 1.61 0.00 0.00 1.13 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.04 1.31 7.81 119 I 8.28 3.80 2.16 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.91 0.96 0.00 0.00 120 I 8.11 3.83 1.93 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.43 0.91 0.00 0.00 121 D 8.38 4.37 0.00 2.91 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 0.00 122 E 8.44 4.01 0.00 2.49 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 2.20 2.27 0.00 123 F 8.37 4.20 0.00 3.30 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 0.00 124 K 8.27 4.11 0.00 2.02 1.89 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.72 7.81 125 K 8.06 4.04 0.00 2.23 1.98 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.35 7.81 126 Q 8.41 4.32 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 127 Y 8.35 4.85 0.00 2.98 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 0.00 128 N 5.77 4.71 0.00 2.53 1.72 0.00 0.00 7.11 8.37 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 0.00 129 D 8.81 4.28 0.00 2.78 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 0.00 130 D 8.87 4.27 0.00 2.55 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 0.00 131 K 7.65 4.12 0.00 1.17 1.48 0.00 1.76 0.00 0.00 1.52 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.94 0.70 7.81 132 I 7.00 4.69 1.85 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 1.40 1.01 0.81 0.00 0.00 133 K 8.90 4.70 0.00 1.69 1.68 0.00 1.46 0.00 0.00 1.66 0.00 0.00 3.15 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.40 7.81 134 I 7.54 5.18 2.13 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 1.30 1.56 0.93 0.00 0.00 135 G 8.16 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 0.00 0.00 0.00 136 K 8.41 4.37 0.00 1.84 1.77 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.69 1.48 7.81 137 F 8.69 3.90 0.00 2.77 2.83 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 0.00 138 G 8.18 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 0.00 139 N 7.66 4.92 0.00 2.91 2.81 0.00 0.00 6.89 7.10 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 0.00 140 Y 8.50 4.09 0.00 2.97 2.89 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 0.00 141 M 7.35 4.91 0.00 1.76 1.70 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.45 0.00 142 N 9.19 4.73 0.00 2.89 2.70 0.00 0.00 7.01 7.91 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 0.00 143 I 8.26 4.96 1.91 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 1.30 0.75 0.90 0.00 0.00 144 D 8.82 4.66 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.37 4.62 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 0.87 0.00 0.00 1.04 0.00 0.00 146 T 8.88 4.39 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 1.22 0.00 0.00 147 N 8.59 4.78 0.00 2.62 2.78 0.00 0.00 6.96 8.06 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 0.00 148 D 10.30 4.30 0.00 2.73 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 0.00 149 G 8.72 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 0.00 150 P 0.00 4.52 0.00 2.18 2.09 0.00 3.46 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 1.98 2.07 0.00 151 V 8.06 4.38 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 1.23 0.00 0.00 0.99 0.00 0.00 152 T 8.67 5.07 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 1.24 0.00 0.00 153 I 8.99 4.64 1.87 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.04 0.89 0.00 0.00 154 Y 8.52 5.22 0.00 2.91 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 0.00 155 I 7.52 4.50 1.75 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 1.11 0.70 1.00 0.00 0.00 156 D 8.40 5.18 0.00 2.77 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 0.00 157 T 8.86 3.71 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 1.27 0.00 0.00 158 H 8.17 4.68 0.00 3.31 3.31 0.00 5.62 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.77 4.55 0.00 2.82 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 * Residues marked with a * may have inaccurate shift predictions.