NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.6469 8.2601 122.4607 51.9438 19.9081 175.7529 1 A 4.3263 8.8587 125.6466 50.6715 20.8451 174.0676 2 I 4.7384 8.3930 122.5323 59.4340 40.1174 173.7010 3 V 4.5273 8.5755 126.4111 61.0605 34.5404 174.4250 4 K 4.8666 9.1933 127.8189 55.6451 34.2837 176.1199 5 L 4.3563 9.1294 125.0303 56.1617 42.5565 176.7057 6 G 4.5811 8.3714 111.2018 46.9247 0.0000 172.2735 7 G 4.0388 8.4600 110.6003 43.3539 0.0000 174.7050 8 D 4.5399 8.6451 120.7139 56.9403 40.8884 177.4787 9 D 4.4665 8.0168 115.8092 53.3730 39.9210 177.0431 10 G 3.8287 8.4864 109.0399 45.2752 0.0000 173.9008 11 S 4.1151 7.9009 114.4958 58.0015 64.0815 174.3025 12 L 4.6132 8.1158 123.4739 53.4834 39.2674 175.4659 13 A 4.7633 7.3807 122.2307 49.9932 23.7753 175.4188 14 F 4.7852 8.8357 118.2403 56.6787 40.4507 175.7378 15 V 4.4260 8.8820 123.8915 60.4640 33.6437 173.3107 16 P 4.9981 0.0000 0.0000 62.2593 33.0536 175.5205 17 N 4.9779 8.6712 114.6083 52.6571 38.6889 173.6010 18 N 5.6039 7.8905 118.0271 52.4560 41.9524 173.3413 19 I 4.7297 8.6233 118.0039 59.8702 41.7076 173.7114 20 T 5.0977 8.4702 119.8662 62.0892 71.0650 173.7086 21 V 4.5363 8.8207 118.9216 59.3216 36.6739 175.3164 22 G 4.2765 9.2152 109.4572 45.0549 0.0000 173.3311 23 A 4.4620 8.0774 124.4825 53.2350 18.6812 178.6521 24 G 3.9150 9.1517 111.8181 45.2084 0.0000 173.1942 25 E 4.1869 7.6569 120.5378 55.3598 30.4755 176.2776 26 S 4.4856 8.5616 122.0541 58.7058 64.4814 172.9022 27 I 4.6919 8.8949 125.5847 59.5226 39.7649 174.2588 28 E 5.0359 9.3452 127.6362 54.6859 31.8921 175.0360 29 F 5.0967 9.3770 124.9413 56.1627 40.9876 175.0176 30 I 4.9710 8.7239 125.7254 59.0729 39.8079 174.7103 31 N 4.6406 9.4367 127.6403 54.4228 39.2598 173.1774 32 N 4.9297 9.2610 123.2344 54.4466 40.7470 174.2087 33 A 3.7006 8.0365 119.0179 52.1429 21.9272 175.5735 34 G 3.6795 7.6393 105.8028 45.8544 0.0000 174.2050 35 F 4.4482 6.7574 116.8495 57.1171 39.6491 173.8343 36 P 5.0109 0.0000 0.0000 62.2602 33.2720 174.1769 37 H 5.0953 8.6302 117.0228 54.3764 33.1258 171.8175 38 N 5.1568 8.2910 115.8860 52.1299 41.5053 173.1559 39 I 4.3491 8.4283 118.3924 59.5741 40.1798 174.7991 40 V 4.4189 8.2339 128.1804 60.7118 33.7095 174.3946 41 F 4.7036 8.9141 127.8213 56.5649 39.9498 175.0120 42 D 4.5959 9.3627 124.7882 54.2847 41.2019 176.2437 43 E 3.9647 9.2871 128.3205 59.1725 29.6057 177.2076 44 D 4.7255 8.5793 115.5428 54.2238 41.9341 176.4156 45 A 4.7549 8.2869 122.9303 50.8870 19.1642 175.5180 46 V 4.5144 7.1486 113.2968 58.5111 36.6549 175.7292 47 P 4.3609 0.0000 0.0000 62.2107 32.5388 175.8029 48 A 4.0906 8.3726 124.1889 53.7623 18.3269 178.1147 49 G 3.9585 9.1415 110.0762 45.4089 0.0000 174.2528 50 V 3.7921 7.4627 113.1924 60.7957 32.4583 175.8415 51 D 4.5702 8.4046 123.8421 52.5898 40.6044 176.1743 52 A 4.0549 8.5644 129.4405 55.4477 18.1248 178.6850 53 D 4.3741 7.9509 115.9942 57.2521 40.8968 178.4639 54 A 4.1720 8.0016 121.0222 54.4259 18.5792 178.9437 55 I 3.9734 7.4970 109.2770 61.5213 38.4102 176.2458 56 S 4.7244 7.3978 116.2162 58.6298 63.6964 174.5760 57 A 4.4298 8.7317 124.4322 50.8238 18.8577 176.3068 *59 E 4.2005 8.2959 120.8351 56.0812 31.9312 175.7744 *61 D 4.4427 7.6918 115.6599 53.7039 42.1335 174.4169 62 Y 4.5262 8.4572 122.9617 58.3023 38.6562 175.6312 63 L 4.5030 9.2350 125.0854 53.7540 42.2663 176.5950 64 N 4.7783 8.6763 119.8515 52.7695 39.1394 174.7007 65 S 4.1606 8.0245 114.5408 55.8431 66.9494 173.4939 66 K 4.1919 8.1206 124.8475 57.9328 32.4019 177.2327 67 G 4.0238 9.0351 115.4352 45.0382 0.0000 173.7938 68 Q 4.2793 7.5022 118.5479 56.4234 29.7639 175.7398 69 T 5.2721 8.4593 112.2975 59.9006 72.0391 173.1327 70 V 4.5208 8.7777 123.5307 61.1213 34.5812 174.1343 71 V 5.0671 8.6122 127.0334 61.2895 33.7680 174.6353 72 R 4.9170 9.1267 125.6442 54.3800 34.5720 174.4287 73 K 4.9916 8.5494 119.7032 54.7315 35.6551 175.5147 74 L 4.7557 8.5177 124.4992 53.1913 43.7966 177.1822 75 T 4.4905 8.6216 111.5800 61.9450 70.9140 174.2534 76 T 4.3201 7.9186 119.3991 61.5042 68.9926 172.7550 77 P 4.5381 0.0000 0.0000 62.3943 32.2629 177.0608 78 G 3.9322 7.4875 107.2882 44.9674 0.0000 171.3201 79 T 5.2137 7.7785 109.7659 60.3096 71.3643 173.7047 80 Y 4.9673 9.2210 120.7308 56.4099 41.9731 174.5122 81 G 4.3359 9.4389 112.5628 45.1187 0.0000 172.7459 82 V 4.8836 8.5555 124.6898 61.1973 35.0039 173.7440 83 Y 5.4459 8.5128 123.4541 56.0332 42.0300 172.9897 84 C 5.0560 9.0823 120.6378 57.1631 32.9691 173.4310 85 D 4.7170 9.4403 127.1645 57.2664 41.0888 176.5990 86 P 4.2272 0.0000 0.0000 65.4325 31.5972 176.9413 87 H 5.0755 7.6723 113.1685 55.3939 29.5907 176.8152 88 S 4.2233 8.3835 117.5639 61.4332 62.9399 176.7177 89 G 3.6328 8.1996 108.5534 47.7813 0.0000 173.6714 90 A 4.2346 7.7473 120.1443 52.0314 19.0245 177.7699 91 G 3.8160 8.0693 103.9923 46.0736 0.0000 174.4426 92 M 4.6543 7.8742 121.4451 54.4648 31.6358 174.8285 93 K 5.4575 8.4640 122.7672 55.7304 36.5525 174.5247 94 M 5.0132 8.7886 117.7463 54.5107 35.7197 173.5100 95 T 5.1451 8.7725 114.6552 61.8405 72.6264 173.3059 96 I 4.9201 8.8449 126.8158 59.8857 40.1192 174.5023 97 T 4.9984 8.9944 124.5949 61.8962 70.8682 173.6254 98 V 4.7473 9.2740 126.8806 61.2091 34.0945 175.5616 99 Q 4.3843 8.5563 125.2041 56.0349 29.1203 175.4767 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 0 A 8.26 4.65 1.24 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 0.00 0.00 0.00 1 A 8.86 4.33 1.15 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 0.00 0.00 2 I 8.39 4.74 1.83 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 0.64 0.89 0.00 0.00 3 V 8.58 4.53 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 1.29 0.00 0.00 0.78 0.00 0.00 4 K 9.19 4.87 0.00 1.76 1.72 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.43 7.81 5 L 9.13 4.36 0.00 1.60 1.32 0.98 1.01 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 6 G 8.37 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.46 4.04 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 0.00 0.00 0.00 8 D 8.65 4.54 0.00 2.66 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 9 D 8.02 4.47 0.00 2.75 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 10 G 8.49 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 11 S 7.90 4.12 0.00 3.90 4.04 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 12 L 8.12 4.61 0.00 1.46 1.50 0.70 0.46 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 13 A 7.38 4.76 1.19 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 0.00 0.00 14 F 8.84 4.79 0.00 2.95 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 15 V 8.88 4.43 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 1.19 0.00 0.00 0.99 0.00 0.00 16 P 0.00 5.00 0.00 2.27 2.06 0.00 3.80 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 1.97 1.96 0.00 17 N 8.67 4.98 0.00 3.05 3.38 0.00 0.00 5.33 6.99 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 18 N 7.89 5.60 0.00 2.70 2.68 0.00 0.00 6.89 7.96 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 19 I 8.62 4.73 1.83 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 0.90 0.88 0.00 0.00 20 T 8.47 5.10 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 1.22 0.00 0.00 21 V 8.82 4.54 2.14 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 0.85 0.00 0.00 0.89 0.00 0.00 22 G 9.22 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 0.00 0.00 0.00 0.00 23 A 8.08 4.46 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 24 G 9.15 3.91 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 0.00 0.00 0.00 25 E 7.66 4.19 0.00 2.01 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 2.28 2.25 0.00 26 S 8.56 4.49 0.00 3.80 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 27 I 8.89 4.69 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 1.13 1.07 0.37 0.00 0.00 28 E 9.35 5.04 0.00 1.92 1.82 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 2.24 2.24 0.00 29 F 9.38 5.10 0.00 3.06 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.72 4.97 1.92 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 1.15 0.86 0.95 0.00 0.00 31 N 9.44 4.64 0.00 2.91 2.78 0.00 0.00 5.80 6.49 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 32 N 9.26 4.93 0.00 2.80 3.13 0.00 0.00 7.37 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 33 A 8.04 3.70 1.12 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 34 G 7.64 3.68 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 0.00 0.00 0.00 35 F 6.76 4.45 0.00 2.92 2.88 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 36 P 0.00 5.01 0.00 1.44 2.07 0.00 3.56 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.67 0.00 37 H 8.63 5.10 0.00 3.07 3.05 0.00 5.61 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.29 5.16 0.00 2.95 3.01 0.00 0.00 5.78 8.07 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 39 I 8.43 4.35 1.60 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.32 0.12 0.00 0.00 40 V 8.23 4.42 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 0.00 0.00 0.98 0.00 0.00 0.74 0.00 0.00 41 F 8.91 4.70 0.00 2.96 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 42 D 9.36 4.60 0.00 3.03 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 43 E 9.29 3.96 0.00 2.04 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 2.34 2.40 0.00 44 D 8.58 4.73 0.00 2.84 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 45 A 8.29 4.75 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 46 V 7.15 4.51 2.04 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 1.13 0.00 0.00 0.91 0.00 0.00 47 P 0.00 4.36 0.00 1.91 1.83 0.00 2.92 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 48 A 8.37 4.09 1.20 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 0.00 0.00 49 G 9.14 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 50 V 7.46 3.79 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 0.61 0.00 0.00 0.94 0.00 0.00 51 D 8.40 4.57 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 52 A 8.56 4.05 1.41 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 0.00 0.00 0.00 53 D 7.95 4.37 0.00 2.76 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 54 A 8.00 4.17 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 55 I 7.50 3.97 1.29 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.42 0.73 0.00 0.00 56 S 7.40 4.72 0.00 3.98 3.97 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 57 A 8.73 4.43 1.19 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 0.00 0.00 *59 E 8.30 4.20 0.00 2.11 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 0.00 2.30 2.37 0.00 *61 D 7.69 4.44 0.00 2.66 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 62 Y 8.46 4.53 0.00 2.85 3.02 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 63 L 9.23 4.50 0.00 1.72 1.69 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.68 4.78 0.00 2.62 2.78 0.00 0.00 6.96 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 65 S 8.02 4.16 0.00 3.64 3.53 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 66 K 8.12 4.19 0.00 1.90 1.76 0.00 1.92 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.60 7.81 67 G 9.04 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 68 Q 7.50 4.28 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.64 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 69 T 8.46 5.27 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 70 V 8.78 4.52 2.20 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 1.01 0.00 0.00 0.96 0.00 0.00 71 V 8.61 5.07 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 0.99 0.00 0.00 0.97 0.00 0.00 72 R 9.13 4.92 0.00 1.99 1.83 0.00 3.31 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.98 0.00 73 K 8.55 4.99 0.00 1.56 1.64 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.43 7.81 74 L 8.52 4.76 0.00 1.36 1.21 0.24 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.62 4.49 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 1.20 0.00 0.00 76 T 7.92 4.32 4.36 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 1.21 0.00 0.00 77 P 0.00 4.54 0.00 2.19 2.09 0.00 3.58 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 78 G 7.49 3.93 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 0.00 0.00 0.00 79 T 7.78 5.21 4.30 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 1.25 0.00 0.00 80 Y 9.22 4.97 0.00 3.06 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 81 G 9.44 4.34 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 0.00 82 V 8.56 4.88 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.15 0.00 0.00 83 Y 8.51 5.45 0.00 3.26 3.01 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 84 C 9.08 5.06 0.00 3.02 2.87 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 85 D 9.44 4.72 0.00 2.87 2.80 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 86 P 0.00 4.23 0.00 1.48 1.74 0.00 3.64 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 1.65 1.37 0.00 87 H 7.67 5.08 0.00 3.23 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.38 4.22 0.00 3.96 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 0.00 89 G 8.20 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 90 A 7.75 4.23 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 91 G 8.07 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 0.00 0.00 0.00 92 M 7.87 4.65 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.20 0.00 93 K 8.46 5.46 0.00 1.94 1.91 0.00 1.63 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.51 7.81 94 M 8.79 5.01 0.00 1.64 2.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.17 0.00 95 T 8.77 5.15 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 1.26 0.00 0.00 96 I 8.84 4.92 1.99 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 1.24 0.81 0.88 0.00 0.00 97 T 8.99 5.00 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 1.25 0.00 0.00 98 V 9.27 4.75 2.42 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 0.95 0.00 0.00 0.82 0.00 0.00 99 Q 8.56 4.38 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.33 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.