NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 Q 4.3927 8.1876 119.6327 55.8114 31.0661 173.4946 16 N 4.9758 8.0664 118.0756 50.9627 39.6526 171.8352 17 Y 4.8834 8.8645 120.9861 55.5149 42.5628 176.1610 18 L 4.5958 8.7113 123.8312 55.5008 43.3733 175.9141 19 F 5.0655 8.8720 126.4551 57.1658 43.1569 173.1841 20 G 3.8393 7.7255 110.7625 45.8368 0.0000 171.6694 21 C 4.5855 7.8784 116.1762 58.9600 32.6666 172.4342 22 E 5.0133 8.4189 118.3923 55.4525 32.7195 175.1830 23 L 4.9119 8.6609 124.3456 52.9145 45.5672 176.1305 24 K 4.5511 9.4631 122.5074 57.6919 34.0675 179.4116 25 A 3.4244 8.1888 126.6343 54.9303 20.1276 177.5960 26 D 4.5012 7.8686 113.6438 55.6203 41.2005 176.1158 27 K 4.5848 9.4612 120.0555 55.8146 35.3704 174.1456 28 D 5.0936 8.6271 124.3570 52.6124 45.1923 174.1352 29 Y 4.6387 8.6252 119.9146 56.3168 41.7894 173.9013 30 H 4.4829 7.8616 123.2694 53.6956 30.7382 172.9640 31 F 4.3802 8.8022 127.0922 57.2510 39.7436 174.1347 32 K 4.4943 7.9305 124.8320 55.0019 35.5910 176.7227 33 V 3.9465 8.2102 122.3708 61.0666 31.6430 175.2717 34 D 4.6165 7.7891 131.0927 51.6836 39.8624 176.6858 *39 E 4.3749 8.1874 119.6687 57.3443 32.2961 179.2480 40 H 4.7501 9.5033 118.2900 56.9569 30.9150 175.4401 41 Q 4.5565 8.9036 119.7899 55.1097 33.1548 173.0180 42 L 4.3748 8.7412 128.2279 53.3208 43.8379 175.1329 43 S 4.8837 8.5979 123.1996 56.7934 63.3939 173.0025 44 L 4.1415 8.8277 129.1125 55.7978 42.4150 175.8820 45 R 4.5779 9.6124 122.1647 55.6769 31.6684 175.9903 46 T 5.0419 6.8494 109.8505 60.2537 73.0957 174.6775 47 V 4.8075 8.8103 123.2028 61.2737 34.1688 174.3832 48 S 5.2202 9.2602 122.8819 56.2481 66.5216 173.3941 49 L 4.3153 8.6707 123.4811 54.4931 42.1185 177.5258 50 G 3.7908 9.1207 111.4374 45.8298 0.0000 174.3603 51 A 4.0744 8.8717 123.8051 54.8953 18.4127 178.9849 52 G 3.9151 7.9206 101.2627 45.2518 0.0000 173.7086 53 A 4.3531 7.4617 122.3507 51.2387 18.8355 178.2892 54 K 4.3319 8.3285 120.6719 56.1275 33.0994 175.9341 55 D 4.6703 8.3151 117.9265 54.5919 41.2195 175.6630 56 E 4.4420 7.7834 115.7648 54.3379 31.8439 174.5902 57 L 4.4444 8.1138 121.3129 55.0211 43.0449 175.3044 58 H 5.2600 9.1727 123.1473 53.1422 32.0290 172.8647 59 I 4.9435 8.2950 123.2793 59.4253 40.0967 174.6879 60 V 4.2688 8.4978 128.5356 62.3550 32.8045 174.4478 61 E 5.2334 9.8613 128.8303 54.3227 32.9192 174.2199 62 A 5.2250 9.0422 126.7961 50.0403 22.6344 174.4323 63 E 5.0633 9.0776 122.3978 54.7071 32.8390 174.8927 64 A 4.6040 8.3894 126.8311 52.1068 22.9982 174.0202 65 M 4.6432 8.6735 114.9716 54.2974 33.5590 176.1329 66 N 4.9167 8.2939 121.0086 51.7981 40.3722 173.5096 67 Y 4.3781 8.5897 117.6529 61.5124 38.9981 178.4254 68 E 3.8096 8.1692 117.4557 57.8314 29.7707 178.0863 69 G 4.0178 8.4111 108.0853 44.7811 0.0000 173.6718 70 S 4.6664 7.1401 114.5583 55.6480 64.2930 172.3447 71 P 4.7939 0.0000 0.0000 63.3261 31.8022 175.4550 72 I 4.7460 9.0768 115.2288 59.1499 41.3451 173.9989 73 K 4.9568 8.5803 122.5260 55.1752 33.5315 176.1357 74 V 4.5580 8.8184 124.0227 61.3964 35.4720 174.0697 75 T 4.7599 8.4868 122.4980 62.8167 68.9962 174.5590 76 L 4.4958 8.9496 127.2088 57.1178 42.6458 176.7911 77 A 4.6996 7.6502 117.7182 51.2165 23.0908 175.0488 78 T 4.8991 8.4206 114.9231 62.0056 71.3829 173.7687 79 L 5.0446 9.3305 126.2175 52.9585 46.2957 176.1754 80 K 4.5158 8.7461 121.9983 55.8759 34.7690 176.1995 81 M 3.6710 8.9803 128.6839 58.5860 32.2011 176.9261 82 S 4.6553 7.9633 109.6270 58.0679 63.7427 174.3260 83 V 4.1230 7.2463 119.1713 64.4734 33.6423 175.2480 84 Q 4.4871 8.7009 119.7668 55.0175 30.5806 171.8931 85 P 4.4584 0.0000 0.0000 64.4399 32.8696 176.2054 86 T 5.0914 7.8502 114.6762 61.5254 71.9837 173.7397 87 V 4.3722 8.8738 125.5476 61.1015 34.6306 173.8814 88 S 5.0534 8.7263 122.7739 57.0617 62.8202 173.5729 89 L 4.1529 9.6862 128.6926 53.9320 42.2186 177.1080 90 G 3.8835 8.2660 107.2858 46.5413 0.0000 173.2706 91 G 4.1209 7.9886 97.5672 47.0487 0.0000 173.5684 92 F 4.5376 8.4473 123.4454 57.5463 39.8464 174.0708 93 E 4.7888 8.9287 126.2059 56.2381 30.4167 176.6329 94 I 4.6599 8.5119 123.8580 59.8857 41.7183 174.3236 95 T 4.7068 8.5126 123.3757 61.6137 69.2689 173.3129 96 P 4.5242 0.0000 0.0000 62.0643 32.1494 174.3440 97 P 4.9316 0.0000 0.0000 63.0250 32.4850 176.0158 98 V 4.7530 8.3008 120.0432 60.6815 35.3266 173.1803 99 V 4.7333 8.8513 122.5588 61.3069 34.3588 174.2908 100 L 5.1112 8.5704 128.1224 54.1072 43.5429 176.0036 101 R 4.7120 8.8581 117.2259 55.4808 33.3226 173.8954 102 L 4.5558 8.5088 120.8242 53.8647 41.3864 176.7488 103 K 4.2741 9.0266 127.9399 59.4502 32.7684 176.4200 104 C 4.6168 8.1281 112.4128 57.8006 32.9402 173.9676 105 G 3.8270 8.9343 107.1978 46.2831 0.0000 173.8392 106 S 4.3294 9.1265 115.9065 57.7926 63.9287 175.8227 107 G 3.9612 8.1624 110.6223 44.4800 0.0000 170.7546 108 P 5.4297 0.0000 0.0000 61.9109 33.5554 175.2808 109 V 4.6290 8.0967 120.5748 61.5289 34.4347 173.7939 110 H 5.2863 9.4805 125.6895 54.5539 31.2038 174.0885 111 I 5.0866 7.8691 121.7550 59.5293 40.5845 174.7787 112 S 4.8088 9.4283 119.8435 56.2472 66.6283 174.1682 113 G 4.2625 7.4738 107.2340 46.6274 0.0000 171.5485 114 Q 4.9688 8.6738 120.3558 54.5031 33.4783 174.5800 115 H 5.2406 9.7085 122.8886 54.5345 31.1926 172.8224 116 L 5.0513 8.8013 125.4041 54.3775 43.2107 176.1392 117 V 4.5652 8.4386 120.9551 62.0512 35.0994 175.0062 118 A 4.1032 8.0291 127.3910 52.8391 19.1421 177.0635 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 15 Q 8.19 4.39 0.00 2.08 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 16 N 8.07 4.98 0.00 2.65 2.63 0.00 0.00 5.86 6.66 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 17 Y 8.86 4.88 0.00 3.08 2.93 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 18 L 8.71 4.60 0.00 1.75 1.67 0.93 0.70 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 19 F 8.87 5.07 0.00 3.28 2.93 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 20 G 7.73 3.84 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 0.00 0.00 0.00 21 C 7.88 4.59 0.00 2.46 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 0.00 0.00 0.00 0.00 22 E 8.42 5.01 0.00 1.92 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 2.13 2.21 0.00 23 L 8.66 4.91 0.00 1.57 1.50 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 24 K 9.46 4.55 0.00 1.81 2.00 0.00 1.59 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.25 7.81 25 A 8.19 3.42 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 26 D 7.87 4.50 0.00 2.66 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 27 K 9.46 4.58 0.00 1.81 1.61 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.45 7.81 28 D 8.63 5.09 0.00 2.63 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 29 Y 8.63 4.64 0.00 3.17 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 30 H 7.86 4.48 0.00 2.84 3.10 0.00 5.75 0.00 0.00 0.00 0.00 6.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.80 4.38 0.00 3.35 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 32 K 7.93 4.49 0.00 1.60 1.61 0.00 1.45 0.00 0.00 1.52 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.20 7.81 33 V 8.21 3.95 1.89 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 0.55 0.00 0.00 0.57 0.00 0.00 34 D 7.79 4.62 0.00 2.74 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 *39 E 8.19 4.37 0.00 2.07 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 2.33 2.39 0.00 40 H 9.50 4.75 0.00 3.09 3.37 0.00 5.73 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 41 Q 8.90 4.56 0.00 2.19 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 42 L 8.74 4.37 0.00 0.27 1.14 -0.75 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.60 4.88 0.00 3.94 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 44 L 8.83 4.14 0.00 1.71 1.58 0.71 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 45 R 9.61 4.58 0.00 1.80 1.74 0.00 3.26 0.00 0.00 3.24 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 46 T 6.85 5.04 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 47 V 8.81 4.81 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 1.07 0.00 0.00 0.94 0.00 0.00 48 S 9.26 5.22 0.00 3.82 3.88 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 0.00 0.00 0.00 49 L 8.67 4.32 0.00 1.53 1.60 0.93 0.52 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 50 G 9.12 3.79 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 0.00 0.00 0.00 51 A 8.87 4.07 1.30 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 0.00 0.00 52 G 7.92 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 0.00 0.00 0.00 53 A 7.46 4.35 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.33 4.33 0.00 1.92 1.78 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.43 7.81 55 D 8.32 4.67 0.00 2.62 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 56 E 7.78 4.44 0.00 2.04 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 2.19 2.06 0.00 57 L 8.11 4.44 0.00 1.64 1.58 0.96 0.91 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 58 H 9.17 5.26 0.00 3.18 3.15 0.00 5.62 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 59 I 8.29 4.94 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 1.24 0.87 0.97 0.00 0.00 60 V 8.50 4.27 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 0.97 0.00 0.00 0.93 0.00 0.00 61 E 9.86 5.23 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 2.20 2.36 0.00 62 A 9.04 5.23 1.10 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 63 E 9.08 5.06 0.00 2.01 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 0.00 2.19 2.43 0.00 64 A 8.39 4.60 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 65 M 8.67 4.64 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 66 N 8.29 4.92 0.00 2.90 2.91 0.00 0.00 6.11 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 67 Y 8.59 4.38 0.00 2.95 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 68 E 8.17 3.81 0.00 1.96 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 2.25 2.21 0.00 69 G 8.41 4.02 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 0.00 0.00 0.00 70 S 7.14 4.67 0.00 3.86 3.88 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 0.00 0.00 0.00 71 P 0.00 4.79 0.00 2.11 2.12 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 72 I 9.08 4.75 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.74 1.00 0.00 0.00 73 K 8.58 4.96 0.00 1.67 1.95 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.80 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.50 7.81 74 V 8.82 4.56 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 1.18 0.00 0.00 0.99 0.00 0.00 75 T 8.49 4.76 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 1.24 0.00 0.00 76 L 8.95 4.50 0.00 1.65 1.76 0.83 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.65 4.70 1.22 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 78 T 8.42 4.90 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 1.22 0.00 0.00 79 L 9.33 5.04 0.00 1.52 1.71 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.75 4.52 0.00 1.83 1.63 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.40 7.81 81 M 8.98 3.67 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.65 0.00 82 S 7.96 4.66 0.00 3.99 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 83 V 7.25 4.12 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 0.83 0.00 0.00 0.94 0.00 0.00 84 Q 8.70 4.49 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.59 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 85 P 0.00 4.46 0.00 2.11 2.07 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 86 T 7.85 5.09 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 87 V 8.87 4.37 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 1.06 0.00 0.00 0.94 0.00 0.00 88 S 8.73 5.05 0.00 3.92 3.76 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 89 L 9.69 4.15 0.00 1.85 1.89 1.01 -0.01 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 90 G 8.27 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 91 G 7.99 4.12 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 0.00 0.00 0.00 92 F 8.45 4.54 0.00 3.08 2.85 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 0.00 0.00 0.00 0.00 93 E 8.93 4.79 0.00 1.97 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 0.00 2.32 2.38 0.00 94 I 8.51 4.66 1.65 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.59 0.81 0.00 0.00 95 T 8.51 4.71 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 1.24 0.00 0.00 96 P 0.00 4.52 0.00 2.22 2.42 0.00 3.84 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 97 P 0.00 4.93 0.00 1.97 2.02 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 98 V 8.30 4.75 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 0.70 0.00 0.00 0.94 0.00 0.00 99 V 8.85 4.73 2.06 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 0.90 0.00 0.00 0.90 0.00 0.00 100 L 8.57 5.11 0.00 1.85 1.61 1.02 0.52 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 0.00 101 R 8.86 4.71 0.00 1.81 1.98 0.00 3.08 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 102 L 8.51 4.56 0.00 1.56 1.70 0.93 0.99 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 0.00 103 K 9.03 4.27 0.00 1.76 1.93 0.00 1.84 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.40 7.81 104 C 8.13 4.62 0.00 2.98 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 0.00 105 G 8.93 3.83 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 0.00 0.00 0.00 106 S 9.13 4.33 0.00 4.04 4.12 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 0.00 107 G 8.16 3.96 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 0.00 0.00 0.00 108 P 0.00 5.43 0.00 2.05 2.12 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.75 0.00 109 V 8.10 4.63 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 0.96 0.00 0.00 0.82 0.00 0.00 110 H 9.48 5.29 0.00 3.13 3.08 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.87 5.09 1.67 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 1.24 1.21 0.90 0.00 0.00 112 S 9.43 4.81 0.00 3.76 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 0.00 113 G 7.47 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 0.00 0.00 0.00 0.00 114 Q 8.67 4.97 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 115 H 9.71 5.24 0.00 3.35 3.41 0.00 5.58 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.80 5.05 0.00 1.71 1.58 0.95 0.46 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 0.00 117 V 8.44 4.57 2.19 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 0.57 0.00 0.00 0.98 0.00 0.00 118 A 8.03 4.10 1.32 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.