NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 T 4.1771 8.0327 117.3800 63.3331 69.8286 171.3941 *19 V 4.1559 8.0178 122.1654 63.9698 33.2501 175.4775 20 I 5.0438 8.8828 128.4398 59.7286 39.6817 174.3683 21 S 5.2922 9.4140 122.0806 56.7778 65.2779 172.0992 22 H 5.3469 9.5448 126.3581 54.4281 32.5693 172.2910 23 G 4.6501 9.0996 112.9716 44.5580 0.0000 171.3724 24 T 5.4664 8.5503 112.1977 59.9102 72.6711 172.5974 25 L 5.0124 8.4375 120.9877 55.4996 44.0556 173.4455 26 S 5.2819 9.5976 114.2390 57.0573 66.3087 172.8307 27 A 5.0303 8.7053 121.7748 49.8107 22.2818 176.2950 28 S 4.3092 8.6790 113.7138 57.6299 64.3676 175.1579 29 A 4.0122 8.6590 122.5817 55.5565 17.6881 179.6027 30 E 3.9438 7.6566 116.3950 58.6585 29.9970 177.6533 31 H 4.9282 7.9766 113.4635 55.1456 29.7705 175.7921 32 A 4.1047 7.7042 123.4433 55.1917 18.3016 179.5922 33 A 3.9386 7.9813 118.7512 55.7697 18.4726 179.4138 34 H 4.2122 7.9947 114.1430 58.9548 28.7528 177.6818 35 L 3.9142 8.0020 122.1910 57.9292 41.8817 179.2204 36 R 3.5989 8.0116 118.2881 59.0981 29.9959 178.7299 37 Q 3.9485 7.9611 119.2878 59.0759 28.9706 178.0738 38 L 3.9320 7.9899 121.2972 58.1560 42.0796 178.9610 39 L 3.9849 8.1668 119.2998 57.8489 41.5561 179.6874 40 V 3.6013 7.8694 118.1958 66.1113 31.5404 177.6131 41 H 4.0887 8.2608 118.0486 59.3342 29.7182 177.3112 42 I 3.6819 8.1143 121.6619 64.3120 36.9157 178.3071 43 A 3.7303 8.3869 124.1510 55.7839 18.0199 180.3218 44 Q 3.9050 7.8316 117.9388 60.2290 28.4837 180.3271 45 A 4.2589 7.7195 122.3823 55.3741 18.4487 179.9983 46 T 4.2020 7.7195 115.6739 66.1024 68.1814 177.2214 47 R 3.8312 7.5434 119.0945 58.7664 30.1069 178.1892 48 Q 4.1993 7.6777 115.7710 55.9749 29.4290 176.0069 49 E 4.3592 7.6449 120.8631 55.2521 30.5102 175.8762 50 D 4.3348 8.6676 121.4192 56.4069 41.2988 177.6858 51 G 4.0131 9.0647 111.0885 45.6456 0.0000 172.3340 52 C 3.4470 7.8952 120.5337 58.5222 31.0195 172.7070 53 L 4.3767 8.0193 128.1790 56.0358 42.6067 177.1470 54 L 4.3196 7.1842 118.7285 54.1386 45.6049 173.6484 55 Y 4.7779 8.4135 127.3932 56.8321 40.8232 173.3956 56 L 4.9366 8.9555 127.6010 52.8377 45.3130 176.1208 57 V 5.0537 8.4816 115.9105 59.6628 34.2222 175.0409 58 S 4.8355 9.2504 118.7705 56.9342 67.1855 172.1289 59 E 4.9607 8.5791 120.9542 53.9531 32.0788 174.7224 60 D 4.3377 8.8593 127.4250 54.5066 41.5432 177.1577 61 L 4.0386 8.7298 126.7183 57.7145 41.8719 178.4252 62 S 4.3913 8.5158 113.2539 59.8871 63.4124 175.0746 63 Q 4.4394 7.7262 118.9040 53.7956 30.7484 171.0444 64 P 4.3424 0.0000 0.0000 64.1347 32.1750 177.1996 65 G 3.8582 9.5422 110.7686 45.3625 0.0000 171.9812 66 H 5.1314 7.5069 117.2238 53.7708 31.4702 173.5410 67 F 5.4197 9.3318 121.2861 55.5173 43.2703 173.7381 68 L 5.2595 9.1800 122.3907 53.4068 45.6310 175.2178 69 I 4.7973 8.7647 126.0350 59.9070 40.1815 174.4637 70 T 4.9495 8.7629 124.8083 61.7496 71.0444 173.4305 71 E 5.0554 9.0926 125.2449 54.7818 34.3051 174.3226 72 H 5.4944 8.7891 119.9345 53.8823 31.9622 172.7314 73 W 5.0427 9.0500 123.3874 54.6577 31.2994 175.5430 74 D 4.6953 9.2678 124.0783 57.4550 41.2048 175.7772 75 N 5.2900 7.8864 111.6705 52.3254 39.8384 174.1478 76 L 4.0280 8.6805 119.0928 57.8825 42.1746 179.3454 77 G 3.6977 8.3084 107.0784 48.6214 0.0000 176.0775 78 A 4.1642 8.4509 121.5177 52.6303 17.7432 178.9289 *80 H 4.6711 8.2945 118.6737 57.7952 30.8265 176.2011 81 T 3.8110 7.8756 115.1630 66.7218 68.4754 175.7553 82 H 4.2020 7.8167 120.0784 59.4125 29.6340 177.3647 83 L 3.9249 7.6945 118.2610 57.0040 41.5400 178.1994 84 A 4.3391 7.3375 118.4305 51.3453 19.8168 177.4973 85 L 4.1289 7.1117 118.6839 53.7448 42.5689 176.6952 86 P 4.3816 0.0000 0.0000 65.6378 31.2329 179.3884 87 G 3.6135 8.0457 104.1676 47.4678 0.0000 175.8787 88 V 3.6144 7.5981 120.3993 66.1351 31.5482 178.1593 89 T 3.8444 7.8460 115.0092 66.8950 68.3522 176.4016 90 Q 3.9797 8.2968 119.6690 58.8342 28.8289 178.7423 91 A 4.0180 7.9808 121.8885 55.1980 18.2133 179.7287 92 I 3.6988 7.7790 117.4878 64.6327 37.4096 178.0915 93 D 4.4860 8.3640 119.6044 57.3049 40.5130 178.6247 94 A 4.0665 8.1690 121.2763 55.1762 18.2576 179.6592 95 L 3.9469 7.7891 117.1159 57.8344 41.7201 179.7586 96 K 3.8740 7.7797 118.1132 59.8184 31.7875 178.7282 97 H 4.4115 7.7356 114.5410 57.3148 28.7996 176.5806 98 L 4.1924 7.5405 118.9371 53.0294 42.0703 175.2855 99 N 4.0514 7.6149 116.0856 54.2740 37.9306 174.4682 100 V 4.0170 7.8566 117.2103 61.9807 31.1841 175.0808 101 T 4.5765 8.5078 116.2123 61.3394 69.3196 173.7752 102 D 4.9779 7.8991 119.8827 53.1684 40.4533 175.6670 103 L 4.3796 8.0654 121.6261 55.7690 42.8299 176.0926 104 K 4.6800 9.2276 127.0666 54.7603 35.6296 174.7192 105 I 5.1536 8.4914 127.0199 59.8699 40.4736 174.8675 106 T 4.6557 8.9834 122.3572 61.6211 72.1455 172.9481 107 A 5.2903 8.2161 125.9135 50.5967 22.5850 175.1057 108 Y 4.7713 8.8659 116.1629 56.4775 42.7522 175.0868 109 E 4.3322 9.1325 123.7046 56.3128 30.3604 176.0347 110 A 4.7346 8.3543 125.3559 50.1276 21.3618 177.1754 111 G 3.8954 8.4453 112.8732 45.0703 0.0000 173.7231 112 E 4.0598 8.4865 114.6131 55.2726 30.1954 172.7202 113 A 4.0102 8.4972 124.5038 52.4310 18.8553 177.2720 114 I 4.2095 8.1042 123.3243 59.3980 38.0498 175.6102 115 N 4.5661 8.6259 124.3439 52.9506 37.9770 175.3726 116 I 3.9461 8.2385 124.5693 62.3221 38.1575 176.5179 *118 G 3.7244 7.9664 113.5732 45.6834 0.0000 172.5275 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 17 T 8.03 4.18 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 1.27 0.00 0.00 *19 V 8.02 4.16 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 1.12 0.00 0.00 1.03 0.00 0.00 20 I 8.88 5.04 2.00 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 0.96 0.64 1.03 0.00 0.00 21 S 9.41 5.29 0.00 4.03 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 H 9.54 5.35 0.00 3.35 3.30 0.00 5.77 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 23 G 9.10 4.65 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 0.00 0.00 0.00 24 T 8.55 5.47 4.27 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 1.18 0.00 0.00 25 L 8.44 5.01 0.00 1.79 1.80 0.94 0.65 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 26 S 9.60 5.28 0.00 3.59 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 27 A 8.71 5.03 1.34 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 0.00 0.00 28 S 8.68 4.31 0.00 4.04 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 29 A 8.66 4.01 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 30 E 7.66 3.94 0.00 1.74 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 2.07 2.27 0.00 31 H 7.98 4.93 0.00 3.24 3.28 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.70 4.10 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 33 A 7.98 3.94 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.99 4.21 0.00 3.38 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.00 3.91 0.00 1.72 1.63 0.83 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.01 3.60 0.00 2.00 1.93 0.00 3.26 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 1.59 1.85 0.00 37 Q 7.96 3.95 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 38 L 7.99 3.93 0.00 1.85 1.77 0.91 0.53 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 39 L 8.17 3.98 0.00 1.73 1.68 0.51 0.72 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 40 V 7.87 3.60 2.09 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 1.00 0.00 0.00 0.98 0.00 0.00 41 H 8.26 4.09 0.00 3.25 3.43 0.00 5.65 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 42 I 8.11 3.68 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.57 0.94 0.00 0.00 43 A 8.39 3.73 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 44 Q 7.83 3.90 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 45 A 7.72 4.26 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.72 4.20 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 1.14 0.00 0.00 47 R 7.54 3.83 0.00 1.72 1.94 0.00 3.12 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 48 Q 7.68 4.20 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 49 E 7.64 4.36 0.00 2.35 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 2.40 2.33 0.00 50 D 8.67 4.33 0.00 2.75 2.71 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 0.00 0.00 0.00 0.00 51 G 9.06 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 52 C 7.90 3.45 0.00 2.33 2.68 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 0.00 0.00 0.00 0.00 53 L 8.02 4.38 0.00 1.58 1.65 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.18 4.32 0.00 1.56 1.25 0.84 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 8.41 4.78 0.00 2.78 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 56 L 8.96 4.94 0.00 1.51 1.49 0.88 0.60 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 57 V 8.48 5.05 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 0.93 0.00 0.00 1.03 0.00 0.00 58 S 9.25 4.84 0.00 3.88 3.94 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 59 E 8.58 4.96 0.00 2.18 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 1.99 1.80 0.00 60 D 8.86 4.34 0.00 2.73 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 61 L 8.73 4.04 0.00 1.66 1.70 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.52 4.39 0.00 3.92 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 63 Q 7.73 4.44 0.00 1.95 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.93 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 64 P 0.00 4.34 0.00 2.01 1.98 0.00 3.65 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 2.01 2.07 0.00 65 G 9.54 3.86 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 0.00 0.00 0.00 66 H 7.51 5.13 0.00 3.11 3.11 0.00 5.56 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 9.33 5.42 0.00 2.90 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 68 L 9.18 5.26 0.00 1.74 1.50 1.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.76 4.80 1.80 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 1.23 0.64 0.61 0.00 0.00 70 T 8.76 4.95 4.16 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 1.17 0.00 0.00 71 E 9.09 5.06 0.00 2.06 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 1.57 2.07 0.00 72 H 8.79 5.49 0.00 2.91 3.10 0.00 5.58 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 W 9.05 5.04 0.00 3.14 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 74 D 9.27 4.70 0.00 2.73 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 7.89 5.29 0.00 2.85 2.79 0.00 0.00 6.42 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 76 L 8.68 4.03 0.00 1.66 1.76 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.31 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.45 4.16 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 *80 H 8.29 4.67 0.00 3.31 3.33 0.00 5.65 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.88 3.81 4.35 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 1.20 0.00 0.00 82 H 7.82 4.20 0.00 2.77 2.57 0.00 5.79 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 83 L 7.69 3.92 0.00 1.72 1.67 0.83 0.75 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 84 A 7.34 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.11 4.13 0.00 1.74 1.57 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.38 0.00 2.07 2.09 0.00 3.85 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 87 G 8.05 3.61 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 0.00 0.00 0.00 88 V 7.60 3.61 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 1.06 0.00 0.00 0.79 0.00 0.00 89 T 7.85 3.84 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 1.25 0.00 0.00 90 Q 8.30 3.98 0.00 2.27 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 2.59 0.00 91 A 7.98 4.02 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 92 I 7.78 3.70 2.02 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 1.53 0.70 0.91 0.00 0.00 93 D 8.36 4.49 0.00 2.86 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 94 A 8.17 4.07 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 95 L 7.79 3.95 0.00 1.92 1.88 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.78 3.87 0.00 1.88 1.70 0.00 1.61 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.46 7.81 97 H 7.74 4.41 0.00 3.20 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.54 4.19 0.00 1.68 1.62 0.92 1.03 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 99 N 7.61 4.05 0.00 2.80 2.84 0.00 0.00 7.01 7.55 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 0.00 100 V 7.86 4.02 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 0.91 0.00 0.00 0.95 0.00 0.00 101 T 8.51 4.58 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 1.26 0.00 0.00 102 D 7.90 4.98 0.00 2.68 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 0.00 103 L 8.07 4.38 0.00 1.68 1.64 0.99 0.57 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 0.00 104 K 9.23 4.68 0.00 1.83 1.59 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.40 7.81 105 I 8.49 5.15 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.81 0.94 0.00 0.00 106 T 8.98 4.66 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 0.82 0.00 0.00 107 A 8.22 5.29 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 0.00 108 Y 8.87 4.77 0.00 2.91 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 0.00 109 E 9.13 4.33 0.00 2.01 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 2.35 2.34 0.00 110 A 8.35 4.73 1.21 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 0.00 0.00 111 G 8.45 3.90 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 0.00 0.00 0.00 112 E 8.49 4.06 0.00 2.00 1.76 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 2.23 1.88 0.00 113 A 8.50 4.01 1.25 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 0.00 0.00 114 I 8.10 4.21 1.86 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 1.41 0.85 0.90 0.00 0.00 115 N 8.63 4.57 0.00 2.71 2.79 0.00 0.00 7.15 7.45 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 0.00 116 I 8.24 3.95 1.86 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 1.51 0.77 0.90 0.00 0.00 *118 G 7.97 3.72 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.