NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 N 4.6773 8.2833 119.2075 52.8338 40.2911 175.8165 19 L 3.7415 5.6200 116.8210 57.5155 42.8931 175.9766 20 P 4.3738 0.0000 0.0000 65.9868 31.2501 177.9048 21 N 4.3465 8.1281 115.0317 56.9554 38.7044 176.6536 22 M 4.1609 8.2205 119.4613 57.3056 32.3012 177.5537 23 L 4.5049 7.4989 116.9269 54.4872 42.5366 178.2287 24 R 3.8913 7.5984 119.2647 59.6567 29.9643 177.9600 25 D 4.4036 8.0669 118.0696 57.2731 40.8215 178.4281 26 L 3.9560 7.8240 120.3072 58.2863 42.1973 179.1169 27 R 4.0449 8.2145 118.0941 59.2825 29.7376 178.8091 28 D 4.3662 8.4678 118.2094 57.3253 40.9940 178.3470 29 A 4.1769 8.3043 121.4702 55.1705 18.3558 179.5052 30 F 4.2528 8.5039 119.5335 61.2501 39.2045 177.4274 31 S 4.0681 7.9539 113.3442 61.1087 62.8340 176.6967 32 R 3.9875 7.6771 121.7633 59.0717 30.0154 178.7097 33 V 3.7203 7.7563 117.7504 66.0746 31.4902 177.9512 34 K 3.9954 7.8969 118.8570 59.9100 31.9438 178.8300 35 T 3.9237 7.6110 109.6373 63.7017 68.7770 175.7398 36 F 4.1184 8.2270 119.6202 58.1639 39.4463 174.6248 37 F 4.8592 7.8107 118.8660 55.9129 41.7772 174.6292 *41 D 4.2992 8.2803 118.8108 53.4492 40.7134 171.7708 42 Q 4.3390 8.4946 125.4365 54.3630 27.8737 174.9841 43 L 4.0312 8.2806 125.4954 54.9386 42.2826 177.9800 44 D 4.5576 8.0298 117.3049 52.8616 40.9272 172.5395 45 N 4.5573 8.3129 116.7868 52.6284 39.0721 175.2124 46 L 4.1397 8.1499 122.7337 55.0975 42.9733 176.7957 47 L 4.1880 8.4533 126.2537 57.5059 42.6970 177.6032 48 L 4.3450 7.4665 119.3192 52.9457 40.2068 176.2744 49 K 4.1598 7.6108 121.7016 55.6753 33.4197 177.8625 50 E 3.8365 8.7595 120.9616 59.6024 29.3200 179.2278 51 S 4.1051 8.0077 113.7729 61.0121 62.9216 176.2577 52 L 3.7738 7.8974 124.3045 57.9201 41.6354 178.5086 53 L 3.5818 7.5642 118.3523 58.1105 42.2437 178.2333 54 E 4.0959 8.2054 118.3781 59.7008 29.4260 179.1774 55 D 4.4080 8.0995 118.6866 57.3714 40.6165 178.8411 56 F 4.3261 8.2786 117.6649 60.0186 38.9884 176.8615 57 K 4.4667 7.9804 115.7350 57.7120 32.8122 177.1496 58 G 3.9457 7.7851 107.6983 43.0522 0.0000 173.4830 59 Y 4.2025 7.5302 117.0947 59.3368 38.2957 176.6013 60 L 4.6676 8.0753 119.6377 54.6158 42.4061 177.9563 61 G 3.8029 8.3571 108.7024 48.3047 0.0000 175.2524 62 C 4.1912 8.1260 120.5730 59.4280 43.6132 175.4904 63 Q 3.8987 8.0785 118.9160 58.7373 28.3133 178.5197 64 A 4.0175 8.1831 121.9261 55.1343 18.5117 179.4834 65 L 3.3734 7.6629 119.0850 57.9756 42.0828 179.0082 66 S 4.0467 8.2603 113.4893 61.5122 62.2982 175.8203 67 E 4.0073 8.4825 122.2084 59.5471 29.3269 178.6981 68 M 4.2855 8.3971 118.9223 58.4239 32.0572 178.7864 69 I 3.8661 8.0944 120.1178 64.4424 37.2071 178.2640 70 Q 4.0172 8.1826 120.4160 58.9839 28.8304 177.8768 71 F 4.2640 8.5634 121.8708 61.7472 39.3573 176.7163 72 Y 3.6147 8.1522 116.0984 61.0431 37.4489 178.7682 73 L 4.0098 7.9517 118.7027 57.3543 41.8113 178.5783 74 E 4.3788 8.4204 117.1603 57.2455 30.2710 176.7249 75 E 4.4069 7.9840 116.4697 57.9164 31.1231 178.3092 76 V 3.3213 6.7993 117.1443 66.2527 31.6224 177.8652 77 M 4.0550 8.1943 118.3493 58.0241 31.9047 176.9754 78 P 4.2313 0.0000 0.0000 65.7742 31.5119 178.6327 79 Q 3.9727 7.8709 116.5655 58.9213 28.4766 178.7715 80 A 4.0901 8.3207 122.0555 55.2907 18.2130 179.5756 81 E 3.9405 8.3127 116.4239 59.5546 29.5419 179.0571 82 N 4.4957 7.9542 115.9954 56.2562 38.6921 177.0312 83 Q 4.3868 7.9916 120.1566 57.9962 29.8657 175.6286 84 D 4.4655 7.9032 119.3736 51.4577 42.3951 173.4200 85 P 4.4091 0.0000 0.0000 65.0444 31.1417 177.7186 86 D 4.4665 8.2524 117.2531 56.3741 40.9664 177.5470 87 I 3.1688 7.3374 112.3089 60.6170 37.8782 177.2843 88 K 3.6969 7.4776 122.2882 60.0498 31.9186 178.1276 89 A 3.9060 7.8166 120.0788 55.4595 18.2898 179.1484 90 H 4.2851 7.8188 114.2224 58.8321 28.9193 178.0177 91 V 3.6940 8.1898 120.5991 65.7342 31.2920 177.6415 92 N 4.3029 8.4075 117.3077 56.8139 38.8162 177.1253 93 S 4.1545 7.9803 116.2358 61.2005 62.8554 176.4081 94 L 4.0805 8.1292 123.3855 58.1311 41.8442 179.2660 95 G 3.6339 8.4374 106.0442 47.8852 0.0000 175.4918 96 E 3.9866 8.3623 121.0887 59.2991 29.4848 179.2655 97 N 4.3782 8.3108 116.5327 56.1217 38.4839 177.3131 98 L 3.9612 8.0533 121.9387 58.0283 42.1875 179.1809 99 K 3.9931 8.3120 118.6563 59.6024 31.9162 179.5531 100 T 3.8701 8.0227 116.1826 66.3857 68.2826 176.4730 101 L 3.8847 7.8820 122.2820 58.0976 42.0593 178.8495 102 R 3.8251 8.1176 118.7605 59.3713 29.9371 178.0220 103 L 3.9419 7.9995 119.9478 58.2785 41.8386 179.1305 104 R 3.9202 7.8242 116.4236 59.4793 29.8480 178.8479 105 L 4.1894 8.1650 118.9322 57.7053 41.3075 179.6426 106 R 4.0004 8.2165 118.4950 59.3638 30.1591 178.4091 107 R 4.2918 8.3090 117.3463 57.5226 30.2407 175.9350 108 C 4.5448 7.6266 118.3400 57.5691 31.3594 173.6105 109 H 4.2304 8.8720 125.5289 58.7099 28.2932 177.2171 110 R 3.9759 7.3693 118.3701 59.2343 30.3116 178.0751 111 F 4.5448 8.1467 116.2583 60.3016 39.9695 176.1802 112 L 4.9032 7.6372 118.3319 52.2822 41.9275 175.3001 113 P 4.2889 0.0000 0.0000 65.7578 31.8705 178.1514 114 C 4.4014 8.2006 111.5951 57.0064 41.6536 173.6432 115 E 4.4299 7.9737 118.7423 56.1827 29.6201 175.2502 116 N 4.9844 8.0220 117.1132 51.2542 40.7487 174.2203 117 K 4.6205 8.0434 118.5734 54.5018 35.8802 176.2084 118 S 4.2731 8.3353 114.5775 57.8309 63.3654 174.9279 119 K 3.9597 8.7209 129.9739 59.4758 32.0758 178.4943 120 A 4.1461 7.9527 120.6779 55.1977 18.2744 179.5965 121 V 3.4989 7.7886 116.7432 66.0399 31.5127 177.7751 122 E 3.9241 8.0631 118.6611 59.4808 29.3814 178.8577 123 Q 3.9927 8.3355 118.1859 58.8895 28.6788 178.9438 124 V 3.6080 7.9838 119.2947 66.0605 31.5285 178.2994 125 K 4.0308 8.4138 118.5923 59.4213 31.8572 179.1848 126 N 4.3479 8.5881 116.9126 56.2760 38.4965 177.3447 127 A 4.0142 8.3044 122.3665 55.0331 18.2657 179.3007 128 F 4.0812 8.3351 118.3114 61.7279 39.8849 176.8197 129 N 4.3570 8.6169 116.1438 56.3054 38.1367 177.6569 130 K 4.0741 7.9418 118.7182 58.9350 32.3082 178.7363 131 L 4.0700 7.9538 118.0946 55.2742 41.9651 178.1101 132 Q 2.9988 8.2412 118.9649 56.2704 28.4356 176.2141 133 E 3.8745 8.8302 121.3316 60.8211 29.2740 178.9924 134 K 4.1314 7.9571 118.1643 58.9738 31.9567 179.6378 135 G 3.4334 8.1088 106.8727 47.5262 0.0000 175.8464 136 I 3.9906 7.3856 122.3064 64.4123 37.1168 177.6578 137 Y 4.0051 8.1275 119.7599 60.6851 38.6419 178.0699 138 K 4.0352 8.4918 120.0762 59.5842 32.1652 178.6082 139 A 4.0493 8.1256 119.7845 55.4977 18.6702 179.2629 140 M 4.2299 8.2337 117.4862 58.4835 31.8599 179.1347 141 S 4.1486 8.0457 113.2439 60.4524 63.3579 175.2651 142 E 4.4664 7.7506 120.8236 56.1822 29.3481 177.2029 143 F 3.9726 8.1411 124.2470 61.5312 39.2115 176.9395 144 D 4.3715 8.1987 118.2154 56.3457 39.1564 178.5277 145 I 3.4290 7.5471 121.3240 63.9509 36.9636 177.9255 146 F 3.9626 7.7203 120.8903 61.3694 39.0471 176.9037 147 I 3.2437 7.3780 119.3123 64.4243 36.9077 178.1003 148 N 4.2885 8.1301 117.3760 56.6325 38.2947 177.1192 149 Y 4.3838 8.0256 118.1757 61.0639 37.8264 178.5627 150 I 3.5678 7.8072 121.1284 64.2431 37.1848 177.9151 151 E 3.8781 8.3506 120.0714 59.2399 29.4130 178.6753 152 A 3.9686 8.1055 120.6365 55.3180 18.4720 178.8164 153 Y 3.9707 8.2056 118.0336 61.2592 38.8803 178.3327 154 M 3.9845 8.4426 119.6398 58.8235 31.8616 178.8228 155 T 3.8409 8.1711 115.0124 66.8569 68.9229 175.9102 156 M 4.0254 7.9547 120.0612 58.5619 32.0639 178.1771 157 K 3.7376 7.4235 117.7876 59.7331 32.3659 179.0061 158 I 3.7712 7.5592 118.6993 64.1364 37.0730 176.6715 159 R 4.1500 7.5733 122.4985 56.9110 30.0455 175.7653 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 18 N 8.28 4.68 0.00 2.76 2.67 0.00 0.00 7.05 5.78 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 19 L 5.62 3.74 0.00 1.66 1.73 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.37 0.00 2.15 2.12 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 21 N 8.13 4.35 0.00 2.83 2.91 0.00 0.00 7.19 7.65 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 22 M 8.22 4.16 0.00 1.95 2.22 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.56 0.00 23 L 7.50 4.50 0.00 1.67 1.65 0.89 0.67 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 24 R 7.60 3.89 0.00 1.95 1.93 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 25 D 8.07 4.40 0.00 2.73 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 26 L 7.82 3.96 0.00 1.74 1.82 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.21 4.04 0.00 2.06 2.02 0.00 3.19 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 28 D 8.47 4.37 0.00 2.79 2.75 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 29 A 8.30 4.18 1.42 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 0.00 0.00 30 F 8.50 4.25 0.00 3.21 3.25 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 0.00 31 S 7.95 4.07 0.00 4.04 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 32 R 7.68 3.99 0.00 1.95 1.77 0.00 3.20 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 33 V 7.76 3.72 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 1.41 0.00 0.00 1.05 0.00 0.00 34 K 7.90 4.00 0.00 1.76 0.79 0.00 0.99 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.21 1.25 7.81 35 T 7.61 3.92 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 1.19 0.00 0.00 36 F 8.23 4.12 0.00 2.52 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.81 4.86 0.00 3.13 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 *41 D 8.28 4.30 0.00 2.72 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.49 4.34 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.07 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 43 L 8.28 4.03 0.00 1.69 1.72 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.03 4.56 0.00 2.80 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 45 N 8.31 4.56 0.00 2.75 2.73 0.00 0.00 6.78 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.15 4.14 0.00 1.57 1.55 0.92 0.93 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 47 L 8.45 4.19 0.00 1.63 1.68 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.47 4.35 0.00 1.65 1.57 1.02 0.97 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 49 K 7.61 4.16 0.00 1.77 1.69 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.56 7.81 50 E 8.76 3.84 0.00 1.99 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 2.34 2.33 0.00 51 S 8.01 4.11 0.00 4.05 4.08 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 0.00 0.00 0.00 52 L 7.90 3.77 0.00 1.63 1.66 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.56 3.58 0.00 1.48 1.78 0.90 0.87 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 54 E 8.21 4.10 0.00 2.19 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 2.30 2.57 0.00 55 D 8.10 4.41 0.00 3.05 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 56 F 8.28 4.33 0.00 3.02 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 57 K 7.98 4.47 0.00 1.90 1.85 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.67 7.81 58 G 7.79 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 59 Y 7.53 4.20 0.00 3.01 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 8.08 4.67 0.00 1.87 1.83 1.06 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.36 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 62 C 8.13 4.19 0.00 3.01 3.10 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 63 Q 8.08 3.90 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 64 A 8.18 4.02 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 65 L 7.66 3.37 0.00 0.74 1.38 0.77 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.26 4.05 0.00 3.94 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 67 E 8.48 4.01 0.00 2.20 1.96 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 2.32 2.37 0.00 68 M 8.40 4.29 0.00 2.42 2.50 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 3.11 0.00 69 I 8.09 3.87 2.05 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 1.45 0.93 0.95 0.00 0.00 70 Q 8.18 4.02 0.00 2.20 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.67 0.00 71 F 8.56 4.26 0.00 3.14 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 72 Y 8.15 3.61 0.00 3.06 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 73 L 7.95 4.01 0.00 1.67 1.75 0.95 0.90 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 74 E 8.42 4.38 0.00 2.04 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 2.29 2.35 0.00 75 E 7.98 4.41 0.00 1.71 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 2.25 2.32 0.00 76 V 6.80 3.32 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 1.03 0.00 0.00 -0.40 0.00 0.00 77 M 8.19 4.05 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.65 0.00 78 P 0.00 4.23 0.00 2.13 2.09 0.00 3.62 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 79 Q 7.87 3.97 0.00 2.22 2.14 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 2.37 2.47 0.00 80 A 8.32 4.09 1.49 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 81 E 8.31 3.94 0.00 2.09 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 2.56 0.00 82 N 7.95 4.50 0.00 2.90 2.88 0.00 0.00 6.98 7.72 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 83 Q 7.99 4.39 0.00 2.10 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 84 D 7.90 4.47 0.00 2.61 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 0.00 0.00 0.00 0.00 85 P 0.00 4.41 0.00 2.18 2.08 0.00 3.64 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 2.11 2.17 0.00 86 D 8.25 4.47 0.00 2.88 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 87 I 7.34 3.17 1.33 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 1.54 1.08 0.15 0.00 0.00 88 K 7.48 3.70 0.00 1.82 1.88 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.61 7.81 89 A 7.82 3.91 1.18 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 0.00 0.00 90 H 7.82 4.29 0.00 3.24 3.34 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.19 3.69 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 1.11 0.00 0.00 0.98 0.00 0.00 92 N 8.41 4.30 0.00 2.86 2.95 0.00 0.00 7.15 8.28 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 93 S 7.98 4.15 0.00 4.06 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 94 L 8.13 4.08 0.00 1.96 1.90 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.44 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 96 E 8.36 3.99 0.00 2.14 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 2.54 2.50 0.00 97 N 8.31 4.38 0.00 2.96 2.86 0.00 0.00 6.69 6.16 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 98 L 8.05 3.96 0.00 1.81 1.81 0.87 0.64 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 99 K 8.31 3.99 0.00 1.98 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.71 7.81 100 T 8.02 3.87 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 1.21 0.00 0.00 101 L 7.88 3.88 0.00 1.73 1.81 0.82 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.12 3.83 0.00 1.90 2.08 0.00 3.36 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 103 L 8.00 3.94 0.00 2.02 1.71 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 104 R 7.82 3.92 0.00 1.97 1.98 0.00 3.20 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.95 0.00 105 L 8.17 4.19 0.00 1.78 1.72 0.74 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.22 4.00 0.00 1.88 2.15 0.00 3.30 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 107 R 8.31 4.29 0.00 1.98 2.02 0.00 3.20 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 108 C 7.63 4.54 0.00 3.07 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 0.00 109 H 8.87 4.23 0.00 3.15 3.37 0.00 5.78 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 0.00 110 R 7.37 3.98 0.00 1.55 1.67 0.00 3.23 0.00 0.00 3.17 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 111 F 8.15 4.54 0.00 3.22 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 0.00 112 L 7.64 4.90 0.00 1.70 1.57 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.29 0.00 2.22 2.50 0.00 3.83 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 114 C 8.20 4.40 0.00 3.11 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 0.00 115 E 7.97 4.43 0.00 2.01 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 2.26 2.25 0.00 116 N 8.02 4.98 0.00 2.78 2.54 0.00 0.00 6.68 8.46 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 0.00 117 K 8.04 4.62 0.00 1.80 1.73 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.37 7.81 118 S 8.34 4.27 0.00 3.90 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 0.00 119 K 8.72 3.96 0.00 1.92 1.80 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.58 7.81 120 A 7.95 4.15 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 0.00 121 V 7.79 3.50 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 1.03 0.00 0.00 0.92 0.00 0.00 122 E 8.06 3.92 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 2.46 2.37 0.00 123 Q 8.34 3.99 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.70 0.00 124 V 7.98 3.61 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 1.08 0.00 0.00 1.02 0.00 0.00 125 K 8.41 4.03 0.00 1.97 1.88 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.50 7.81 126 N 8.59 4.35 0.00 2.93 2.89 0.00 0.00 6.90 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.30 4.01 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 0.00 128 F 8.34 4.08 0.00 3.03 3.33 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 0.00 129 N 8.62 4.36 0.00 2.88 2.87 0.00 0.00 7.10 7.41 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 0.00 130 K 7.94 4.07 0.00 1.74 1.86 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.62 7.81 131 L 7.95 4.07 0.00 1.74 1.68 0.95 0.86 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 0.00 132 Q 8.24 3.00 0.00 2.18 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 133 E 8.83 3.87 0.00 1.96 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 2.39 2.39 0.00 134 K 7.96 4.13 0.00 1.83 1.83 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.39 7.81 135 G 8.11 3.43 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 0.00 136 I 7.39 3.99 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 1.55 0.79 1.00 0.00 0.00 137 Y 8.13 4.01 0.00 3.11 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 0.00 138 K 8.49 4.04 0.00 2.21 1.93 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.58 7.81 139 A 8.13 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 0.00 140 M 8.23 4.23 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.84 0.00 141 S 8.05 4.15 0.00 3.82 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.47 0.00 2.02 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 2.26 2.48 0.00 143 F 8.14 3.97 0.00 3.27 3.10 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 0.00 144 D 8.20 4.37 0.00 2.91 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 0.00 145 I 7.55 3.43 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.72 0.27 0.00 0.00 146 F 7.72 3.96 0.00 2.65 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 0.00 147 I 7.38 3.24 1.94 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.43 0.85 0.00 0.00 148 N 8.13 4.29 0.00 2.79 2.90 0.00 0.00 7.07 8.19 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 0.00 149 Y 8.03 4.38 0.00 3.01 2.92 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 0.00 150 I 7.81 3.57 1.74 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.12 0.78 0.00 0.00 151 E 8.35 3.88 0.00 2.11 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 2.31 2.32 0.00 152 A 8.11 3.97 1.42 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 0.00 0.00 153 Y 8.21 3.97 0.00 3.06 3.12 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 0.00 0.00 0.00 154 M 8.44 3.98 0.00 2.10 2.24 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 2.93 2.72 0.00 155 T 8.17 3.84 4.42 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 1.18 0.00 0.00 156 M 7.95 4.03 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 157 K 7.42 3.74 0.00 1.72 1.73 0.00 1.62 0.00 0.00 1.45 0.00 0.00 2.50 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.88 1.17 7.81 158 I 7.56 3.77 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.71 0.89 0.00 0.00 159 R 7.57 4.15 0.00 1.89 1.96 0.00 3.31 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 * Residues marked with a * may have inaccurate shift predictions.