NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.7516 8.4293 117.8354 55.2259 30.2901 173.1059 6 S 4.1915 8.2593 116.2510 57.8438 64.7775 173.8152 7 R 3.9049 8.7085 121.7271 59.5769 30.2609 180.1499 8 E 3.8979 8.0856 118.3442 59.2528 29.6720 178.8731 9 V 3.5498 7.6264 117.8329 65.7736 31.6041 177.5976 10 L 3.9133 8.2244 120.5107 58.2692 41.8554 179.1876 11 V 3.5734 7.7119 117.9589 66.1399 31.5096 178.2453 12 R 3.9122 8.0724 117.8128 59.0890 29.8573 179.0187 13 L 3.9604 8.2134 119.2035 57.7308 41.6449 179.4611 14 R 3.8640 7.9302 118.5653 59.6746 29.9775 178.3056 15 D 4.3738 8.3380 118.7838 57.3313 40.7860 178.9250 16 I 3.6952 7.8765 120.2963 64.4058 36.9263 178.4426 17 L 3.9876 7.7067 118.3290 57.6654 41.8287 179.1958 18 A 4.1157 8.1326 120.7020 55.0936 18.1378 179.3428 19 L 3.9063 7.8419 117.7113 58.3478 42.5840 178.8318 20 L 4.4407 8.4011 118.8165 55.8580 41.3921 178.8354 21 A 4.0318 7.5796 121.8626 54.8689 18.4056 178.2740 22 D 4.5226 8.2212 113.3611 53.1888 40.2001 176.4627 23 G 4.1745 7.0916 111.0054 44.8817 0.0000 170.8625 24 C 4.6799 8.1249 117.1824 57.2586 38.5573 173.7049 25 K 4.9958 8.7226 120.2362 54.7869 36.7585 176.1272 26 T 4.5792 8.5627 113.1172 61.2285 69.8970 175.6465 27 T 3.9051 8.7880 120.0606 67.0177 68.4844 176.8043 28 S 4.2793 8.0414 115.5775 61.4369 62.8559 176.3055 29 L 3.8996 7.9095 123.9022 57.7160 41.8441 178.7894 30 I 3.6621 7.7555 119.7645 64.5817 37.1120 178.1180 31 Q 3.9883 8.4290 119.0863 59.1584 28.2787 179.1663 32 Q 3.9324 7.9660 120.0132 59.4085 28.9551 178.4626 33 R 3.9433 8.1541 118.0195 58.5302 30.2021 178.0921 34 L 4.5455 7.8013 115.6870 53.2933 42.3848 176.4879 35 G 3.8908 7.6336 106.6386 46.5860 0.0000 173.9316 36 L 4.5692 7.7218 118.6225 52.7131 43.4894 177.8879 37 S 4.3679 8.2577 116.5010 58.2706 65.0493 174.8071 38 H 4.2428 8.8705 122.0938 59.5536 29.5032 177.5473 39 G 3.5683 8.0399 106.6941 47.9363 0.0000 175.6221 40 R 3.9058 7.7740 120.7242 58.7147 30.0707 179.0183 41 A 3.9791 7.9673 120.4695 55.2458 18.4312 179.8663 42 K 3.9087 8.1623 116.7616 59.4995 32.0711 179.5308 43 A 4.0572 8.2239 121.2013 55.1333 18.3254 179.7452 44 L 3.9920 8.2704 117.8343 57.9713 41.6101 179.8083 45 I 3.7544 8.0193 119.9327 64.3130 36.9276 177.7033 46 Y 4.1021 8.1951 120.4874 60.7807 38.6131 178.4311 47 V 3.3910 7.8834 118.9677 66.0420 31.5479 177.9366 48 L 3.9559 7.9389 118.6257 57.6967 41.4364 179.1753 49 E 4.1378 8.2379 120.7390 58.7956 29.3879 179.0905 50 K 3.8828 7.7008 117.4873 59.1766 32.1436 178.4620 51 E 4.2261 7.9391 116.3508 56.4438 29.5825 177.7902 52 G 3.9244 7.7727 107.3858 45.7815 0.0000 174.8333 53 R 4.1926 8.1508 119.3432 57.6066 30.3998 176.5650 54 V 4.8295 7.4124 109.4212 59.8706 36.6881 174.3610 55 T 4.7380 9.3503 118.2093 61.9457 72.2326 173.3715 56 R 4.9168 8.7017 124.0048 54.6978 31.9773 175.6589 57 V 4.2976 8.7977 124.4577 60.5418 33.9090 174.5722 58 A 4.3047 8.6535 130.3510 52.0410 18.8538 177.4729 59 F 4.4637 8.8548 124.9946 56.2455 40.4315 175.9654 60 G 3.8037 7.1494 118.6995 46.5801 0.0000 173.1067 61 N 4.6784 9.0271 122.1846 53.2427 39.0606 174.8801 62 V 4.3833 7.6804 111.7831 59.6738 33.8865 173.9633 63 A 5.2282 8.3094 122.7645 50.3315 21.7781 175.3873 64 L 4.5813 9.3269 122.9477 53.5630 43.9490 175.8219 65 V 4.6943 8.8607 124.4103 61.8394 33.1112 174.0137 66 C 5.4722 9.1357 124.7638 55.1199 43.9641 175.5442 67 L 3.9108 9.5667 122.6211 57.6943 42.7619 177.4840 68 S 4.2825 7.2437 116.3377 58.4465 68.0844 176.7789 *70 D 4.5747 8.7958 116.4810 54.2361 42.4940 177.1752 71 Q 4.1714 8.1919 119.5491 59.1196 28.8593 177.5595 72 Y 4.1144 8.0856 120.6575 60.9292 38.8716 178.3582 73 R 3.7451 8.1036 118.3941 59.2652 30.1888 178.9078 74 Q 3.9425 8.1592 117.8737 58.7167 28.4732 178.5571 75 L 3.9365 7.6280 120.1905 58.1333 42.2256 178.7957 76 V 3.6192 7.2650 116.7764 66.1366 31.6766 177.2064 77 D 4.6294 8.1866 118.7023 57.2967 40.6087 179.6653 78 G 3.6968 7.9192 102.6367 45.4643 0.0000 175.2310 *80 I 4.1265 7.6825 123.1826 61.1342 39.2369 178.2966 81 R 3.8715 8.0338 119.1804 59.2274 29.6080 179.0691 82 E 3.9112 8.1169 118.3259 59.3435 29.4467 179.4132 83 V 3.6874 7.9462 117.7475 66.3496 31.5776 177.8279 84 E 4.0397 8.5305 118.3989 59.1201 29.1403 179.3425 85 R 3.8669 8.3321 119.2963 59.4929 30.1183 178.6263 86 L 3.9990 8.0374 118.7946 57.6943 41.5282 179.7400 87 V 3.5724 8.1173 118.4746 66.1717 31.5037 178.3254 88 T 3.8544 8.1400 115.5886 67.1178 68.1516 176.9155 89 T 3.9295 8.0557 116.4765 66.0519 68.5136 175.4277 90 N 4.6725 7.7763 115.0276 51.6265 39.4653 174.8384 91 K 3.8078 7.7973 118.9573 57.1884 30.3916 175.4739 92 L 4.1092 7.8917 117.6022 54.5797 42.6321 177.7262 93 K 4.5756 8.6328 121.2590 56.2402 33.6193 175.8070 94 F 5.3367 7.3229 113.2817 55.8836 41.1116 173.3397 95 I 4.6790 8.8642 118.9432 59.9324 41.7229 173.4383 96 S 5.3666 8.4803 120.7492 54.2673 66.6385 173.0090 97 P 4.2954 0.0000 0.0000 65.5174 31.0535 177.2874 98 P 4.3361 0.0000 0.0000 65.5799 31.2611 178.9002 99 R 3.9458 7.8755 117.1966 59.0563 29.8685 178.9062 100 L 3.9028 8.2326 120.3895 58.2757 42.0794 178.2442 101 H 4.0017 8.5641 118.6819 59.5067 29.6704 176.6085 102 D 4.2712 8.2785 119.6043 57.3884 40.8323 178.2172 103 L 4.0169 7.8923 118.5798 57.6233 41.9658 179.3568 104 I 3.8798 7.9537 120.2731 64.4383 36.9200 178.6135 105 I 3.8178 7.5897 112.1113 63.3540 37.5299 177.5912 106 K 4.3441 7.7186 118.4609 56.2370 32.3878 175.8852 107 D 4.8084 7.5340 119.6277 51.7651 42.2313 174.6244 108 P 4.2884 0.0000 0.0000 65.8391 31.3072 178.3719 109 Q 3.9359 8.1239 117.3125 59.2109 29.0825 177.8370 110 A 4.5971 8.7552 123.5796 54.6977 18.3737 179.5420 111 R 3.9115 8.5640 117.6140 59.4557 29.9748 178.5327 112 K 3.9011 8.0241 118.1400 59.5023 32.3430 178.1590 113 F 4.2789 8.4156 120.7009 61.5850 39.3746 177.1953 114 F 3.8103 8.7436 117.9565 60.2677 38.5073 177.6966 115 S 4.5734 8.5174 114.3528 59.9134 63.0031 175.6673 116 S 4.3332 7.5028 116.4258 59.3023 63.3125 174.8729 117 I 4.0882 7.4438 123.6064 61.8479 38.6505 175.1590 118 I 4.4830 6.6043 117.0119 58.5100 40.7403 171.6907 119 P 4.2587 0.0000 0.0000 63.2132 30.5235 175.9867 120 I 4.4608 8.2086 120.5128 60.1258 39.7962 176.6153 121 A 4.1972 8.2693 122.0757 55.2712 18.3339 177.2690 122 H 4.9573 7.2664 111.5397 53.9602 30.9326 175.2606 123 R 3.9171 8.4279 123.9722 55.6537 28.6447 176.1316 124 T 4.5556 7.7263 114.5032 59.2677 72.6806 174.9863 125 A 4.0080 8.4104 122.9652 55.4614 18.3138 179.9956 126 I 3.6864 7.6903 117.5871 64.7465 37.2372 178.4417 127 I 3.8386 7.8218 119.3437 63.9032 37.6799 177.8798 128 L 4.0426 8.1628 120.1890 57.7944 41.4621 179.3770 129 S 4.1648 8.3467 113.1587 61.1737 62.3429 175.9581 130 F 4.3198 8.4750 123.3604 61.6072 39.1792 177.2428 131 L 4.1151 8.6227 118.9124 57.5948 41.3207 179.0224 132 N 4.3163 8.6565 117.6752 56.9435 38.6908 176.3737 133 H 3.9279 8.0561 118.4967 58.9986 29.9528 176.6681 134 L 4.0578 7.4991 120.9935 58.2077 42.2015 178.6362 135 L 4.0481 8.0020 119.2026 57.2382 41.4948 180.0804 136 K 4.7392 7.6445 121.2831 55.8620 32.1360 178.8347 *138 I 3.7795 7.7817 119.5848 60.4953 38.7889 176.9010 139 Y 4.6378 7.8852 113.8466 56.8739 38.9254 177.0428 140 G 3.9229 8.0998 109.7659 44.3708 0.0000 172.6882 141 E 4.2547 8.6458 118.1147 55.6374 29.9938 175.4285 142 P 4.0374 0.0000 0.0000 62.4896 32.1947 176.0095 143 Y 4.2309 8.4473 121.7029 59.9573 39.1104 176.2009 144 V 4.0587 7.5147 119.6037 60.9180 33.1230 175.6400 145 K 4.2009 8.5254 126.0092 56.7341 33.7408 176.4888 146 T 4.5582 7.5368 107.6687 60.8494 72.1831 174.2409 147 D 4.4012 8.8106 125.9197 55.6348 38.7837 176.4320 148 E 4.3444 9.2235 125.9500 56.0331 30.3953 174.6696 149 T 4.3611 8.4126 116.7854 61.5790 70.7559 173.4229 150 V 4.8954 8.4954 124.2970 61.3984 34.6744 173.5205 151 Y 4.9800 9.3804 125.6270 56.1487 40.9045 174.9761 152 L 4.7294 8.4546 123.6980 53.8372 42.6812 178.1202 153 T 3.3825 8.3987 114.4956 64.0548 68.9560 176.4697 154 A 4.0305 8.0170 124.0634 54.7310 18.4277 177.4115 155 N 4.7864 8.0310 112.1364 52.9099 38.6265 175.0466 156 R 3.8261 7.6647 118.5717 58.2057 30.4201 176.1433 157 K 4.1161 9.1532 125.6375 56.5971 33.8990 175.5185 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 5 H 8.43 4.75 0.00 3.18 3.30 0.00 5.68 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.26 4.19 0.00 4.14 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 7 R 8.71 3.90 0.00 1.84 2.04 0.00 3.30 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 8 E 8.09 3.90 0.00 2.08 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 2.38 2.42 0.00 9 V 7.63 3.55 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 0.88 0.00 0.00 0.93 0.00 0.00 10 L 8.22 3.91 0.00 1.82 1.72 0.94 0.79 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 11 V 7.71 3.57 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 1.08 0.00 0.00 0.98 0.00 0.00 12 R 8.07 3.91 0.00 1.86 1.95 0.00 3.34 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.81 0.00 13 L 8.21 3.96 0.00 1.78 1.68 0.71 0.82 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 14 R 7.93 3.86 0.00 2.04 2.14 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 15 D 8.34 4.37 0.00 2.85 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 16 I 7.88 3.70 1.99 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 1.52 1.00 0.91 0.00 0.00 17 L 7.71 3.99 0.00 1.77 1.73 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.13 4.12 1.39 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 19 L 7.84 3.91 0.00 1.79 1.89 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.40 4.44 0.00 1.87 1.69 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.58 4.03 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 22 D 8.22 4.52 0.00 2.76 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 23 G 7.09 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 24 C 8.12 4.68 0.00 2.87 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 25 K 8.72 5.00 0.00 1.63 1.57 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.53 7.81 26 T 8.56 4.58 4.21 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 1.15 0.00 0.00 27 T 8.79 3.91 4.28 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 1.29 0.00 0.00 28 S 8.04 4.28 0.00 4.01 4.10 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 29 L 7.91 3.90 0.00 1.73 1.79 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.76 3.66 2.01 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 1.51 0.49 0.91 0.00 0.00 31 Q 8.43 3.99 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 32 Q 7.97 3.93 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 33 R 8.15 3.94 0.00 1.83 1.97 0.00 3.34 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.79 0.00 34 L 7.80 4.55 0.00 1.69 1.69 0.91 0.96 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 35 G 7.63 3.89 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 0.00 0.00 0.00 36 L 7.72 4.57 0.00 1.66 1.60 0.92 0.66 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 37 S 8.26 4.37 0.00 4.06 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 38 H 8.87 4.24 0.00 3.24 3.37 0.00 5.87 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 39 G 8.04 3.57 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 0.00 0.00 0.00 40 R 7.77 3.91 0.00 1.82 1.99 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 41 A 7.97 3.98 1.39 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 42 K 8.16 3.91 0.00 1.84 1.81 0.00 1.52 0.00 0.00 1.45 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.40 7.81 43 A 8.22 4.06 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 44 L 8.27 3.99 0.00 1.84 1.72 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.02 3.75 1.91 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 1.42 0.69 0.94 0.00 0.00 46 Y 8.20 4.10 0.00 3.11 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 0.00 47 V 7.88 3.39 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 0.94 0.00 0.00 1.02 0.00 0.00 48 L 7.94 3.96 0.00 1.89 1.68 0.91 0.56 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 49 E 8.24 4.14 0.00 2.16 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 2.26 2.19 0.00 50 K 7.70 3.88 0.00 1.61 1.66 0.00 1.59 0.00 0.00 1.49 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.75 0.73 7.81 51 E 7.94 4.23 0.00 2.06 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 2.32 2.42 0.00 52 G 7.77 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 R 8.15 4.19 0.00 1.87 1.98 0.00 3.26 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 1.62 1.72 0.00 54 V 7.41 4.83 2.16 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 0.94 0.00 0.00 0.91 0.00 0.00 55 T 9.35 4.74 4.23 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 1.18 0.00 0.00 56 R 8.70 4.92 0.00 1.78 1.87 0.00 3.26 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 57 V 8.80 4.30 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 0.29 0.00 0.00 0.60 0.00 0.00 58 A 8.65 4.30 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 59 F 8.85 4.46 0.00 3.05 3.06 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 0.00 0.00 0.00 0.00 60 G 7.15 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 61 N 9.03 4.68 0.00 2.79 2.91 0.00 0.00 6.68 7.68 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 62 V 7.68 4.38 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 0.94 0.00 0.00 1.35 0.00 0.00 63 A 8.31 5.23 1.26 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 64 L 9.33 4.58 0.00 1.81 1.69 0.87 0.85 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 65 V 8.86 4.69 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 0.96 0.00 0.00 0.95 0.00 0.00 66 C 9.14 5.47 0.00 2.90 3.04 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 67 L 9.57 3.91 0.00 1.60 1.74 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.24 4.28 0.00 3.97 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 *70 D 8.80 4.57 0.00 2.86 2.82 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 71 Q 8.19 4.17 0.00 2.15 2.28 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 2.38 2.38 0.00 72 Y 8.09 4.11 0.00 3.16 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 73 R 8.10 3.75 0.00 2.05 1.96 0.00 3.23 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.88 0.00 74 Q 8.16 3.94 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 75 L 7.63 3.94 0.00 1.67 1.71 0.75 0.67 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 76 V 7.27 3.62 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 0.84 0.00 0.00 0.26 0.00 0.00 77 D 8.19 4.63 0.00 2.83 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 78 G 7.92 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 *80 I 7.68 4.13 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.82 0.83 0.00 0.00 81 R 8.03 3.87 0.00 1.85 1.88 0.00 3.05 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 82 E 8.12 3.91 0.00 2.14 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 0.00 1.99 1.93 0.00 83 V 7.95 3.69 2.27 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 1.29 0.00 0.00 1.10 0.00 0.00 84 E 8.53 4.04 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 2.35 2.51 0.00 85 R 8.33 3.87 0.00 1.93 2.08 0.00 3.08 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 86 L 8.04 4.00 0.00 1.92 1.71 0.97 0.64 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 87 V 8.12 3.57 2.28 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 1.08 0.00 0.00 1.02 0.00 0.00 88 T 8.14 3.85 4.37 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 1.21 0.00 0.00 89 T 8.06 3.93 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 90 N 7.78 4.67 0.00 2.74 2.78 0.00 0.00 7.15 8.93 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 91 K 7.80 3.81 0.00 1.86 1.84 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.37 7.81 92 L 7.89 4.11 0.00 1.49 1.50 0.77 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.63 4.58 0.00 1.82 1.89 0.00 1.96 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.24 7.81 94 F 7.32 5.34 0.00 3.07 2.94 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 95 I 8.86 4.68 1.72 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 1.31 0.65 0.76 0.00 0.00 96 S 8.48 5.37 0.00 4.09 4.06 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 0.00 0.00 0.00 0.00 97 P 0.00 4.30 0.00 2.26 2.37 0.00 3.73 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 98 P 0.00 4.34 0.00 2.21 2.13 0.00 3.63 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 2.26 2.22 0.00 99 R 7.88 3.95 0.00 1.96 1.96 0.00 3.28 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 100 L 8.23 3.90 0.00 1.76 1.82 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 101 H 8.56 4.00 0.00 3.27 3.47 0.00 5.64 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 0.00 102 D 8.28 4.27 0.00 3.01 2.73 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 0.00 103 L 7.89 4.02 0.00 1.76 1.71 0.88 0.72 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 0.00 104 I 7.95 3.88 1.84 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.94 0.87 0.00 0.00 105 I 7.59 3.82 1.81 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 1.69 0.47 0.71 0.00 0.00 106 K 7.72 4.34 0.00 1.81 1.90 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.57 7.81 107 D 7.53 4.81 0.00 2.82 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 0.00 108 P 0.00 4.29 0.00 2.21 2.11 0.00 3.66 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 109 Q 8.12 3.94 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.58 2.42 0.00 110 A 8.76 4.60 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 0.00 111 R 8.56 3.91 0.00 2.15 2.10 0.00 3.31 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 1.66 1.65 0.00 112 K 8.02 3.90 0.00 1.91 2.06 0.00 1.88 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.48 7.81 113 F 8.42 4.28 0.00 3.07 3.15 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 0.00 114 F 8.74 3.81 0.00 3.32 3.06 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 0.00 0.00 0.00 0.00 115 S 8.52 4.57 0.00 4.00 4.06 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 0.00 0.00 0.00 0.00 116 S 7.50 4.33 0.00 3.89 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 0.00 117 I 7.44 4.09 1.75 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.27 0.75 0.00 0.00 118 I 6.60 4.48 1.34 0.00 0.00 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 1.13 0.95 0.53 0.00 0.00 119 P 0.00 4.26 0.00 2.03 1.97 0.00 3.56 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 120 I 8.21 4.46 1.88 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 1.34 1.42 0.93 0.00 0.00 121 A 8.27 4.20 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 122 H 7.27 4.96 0.00 3.33 3.19 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 R 8.43 3.92 0.00 1.74 1.86 0.00 3.23 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.00 124 T 7.73 4.56 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 1.27 0.00 0.00 125 A 8.41 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 0.00 126 I 7.69 3.69 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 1.55 0.85 0.94 0.00 0.00 127 I 7.82 3.84 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.92 0.00 0.00 128 L 8.16 4.04 0.00 1.93 1.75 0.94 0.65 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 0.00 129 S 8.35 4.16 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 0.00 130 F 8.48 4.32 0.00 3.32 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.62 4.12 0.00 1.81 1.75 1.01 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 132 N 8.66 4.32 0.00 3.04 3.06 0.00 0.00 6.76 7.67 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 0.00 133 H 8.06 3.93 0.00 3.12 3.14 0.00 6.01 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 0.00 134 L 7.50 4.06 0.00 1.75 1.88 1.08 1.35 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 0.00 135 L 8.00 4.05 0.00 1.25 0.71 0.94 1.27 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 0.00 136 K 7.64 4.74 0.00 1.99 1.75 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.38 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.49 1.70 7.81 *138 I 7.78 3.78 1.10 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 0.63 -0.10 0.00 0.00 139 Y 7.89 4.64 0.00 3.11 3.04 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 0.00 140 G 8.10 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 0.00 141 E 8.65 4.25 0.00 2.02 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 2.37 2.28 0.00 142 P 0.00 4.04 0.00 1.92 0.58 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.75 0.00 143 Y 8.45 4.23 0.00 2.81 3.11 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 0.00 0.00 0.00 0.00 144 V 7.51 4.06 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 0.85 0.00 0.00 0.71 0.00 0.00 145 K 8.53 4.20 0.00 1.68 1.77 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.28 7.81 146 T 7.54 4.56 4.21 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 1.16 0.00 0.00 147 D 8.81 4.40 0.00 2.84 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 0.00 0.00 0.00 0.00 148 E 9.22 4.34 0.00 1.94 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 2.32 2.34 0.00 149 T 8.41 4.36 4.06 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 0.00 0.00 0.00 1.20 0.00 0.00 150 V 8.50 4.90 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 1.08 0.00 0.00 0.94 0.00 0.00 151 Y 9.38 4.98 0.00 2.94 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 0.00 152 L 8.45 4.73 0.00 1.69 1.54 0.53 0.51 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 0.00 153 T 8.40 3.38 4.18 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 0.78 0.00 0.00 154 A 8.02 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 N 8.03 4.79 0.00 3.06 3.06 0.00 0.00 6.86 7.26 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 0.00 156 R 7.66 3.83 0.00 2.15 1.98 0.00 3.27 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 157 K 9.15 4.12 0.00 1.74 2.13 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.29 1.29 7.81 * Residues marked with a * may have inaccurate shift predictions.