NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6424 8.3044 118.3388 55.2743 33.2283 173.8490 2 R 4.4216 8.7310 119.8066 54.1585 33.0275 172.5538 3 I 4.7634 9.1711 128.4001 59.8171 39.9186 173.8872 4 I 4.8171 8.6816 128.6341 59.4334 39.7045 174.3450 5 N 4.8902 9.0656 126.7961 52.4986 39.0579 174.8301 6 A 4.1135 8.9627 129.5442 52.7333 18.9055 176.1047 7 D 4.4009 8.0316 116.5461 55.8082 41.4431 176.7158 8 G 3.8420 8.8512 114.3453 45.6323 0.0000 172.1906 9 L 4.8514 7.6925 120.3705 52.8667 43.0442 176.2108 10 I 4.1344 8.7014 124.8906 61.0606 37.6212 176.3309 11 L 4.0136 9.3547 128.7105 58.5396 41.8356 179.4235 12 G 3.6577 8.0955 104.6718 47.9879 0.0000 175.6910 13 R 4.0389 7.8337 121.3660 58.1284 30.1513 178.6349 14 L 3.8758 8.2180 120.2583 58.1542 42.1103 178.9291 15 A 4.0023 8.3547 121.2978 55.0743 18.3581 179.7436 16 S 4.0738 8.0970 112.8173 61.8063 63.2070 177.0600 17 R 4.0236 7.9703 121.9796 58.7922 29.7180 179.2488 18 V 3.6136 8.0958 118.0316 65.7172 31.5022 177.8721 19 A 3.9983 8.1810 120.7554 55.0790 18.3432 179.5298 20 K 3.9288 7.8407 118.1557 59.8595 32.2593 178.9628 21 M 4.0878 7.8901 118.6292 58.4121 31.8730 178.7473 22 L 4.1938 8.2180 119.3167 57.9161 41.6015 179.6512 23 L 4.1592 7.8894 117.7214 57.2583 41.5650 178.3470 24 E 4.4365 7.7275 116.1919 56.1820 29.5727 177.2646 25 G 3.9831 7.9764 107.7226 45.0076 0.0000 173.7043 26 E 4.3706 7.7884 118.8870 55.7956 30.7747 175.9461 27 E 4.6117 8.6571 122.4647 55.2851 31.5752 175.1559 28 V 4.7863 8.5954 124.4629 60.9439 34.8853 174.1358 29 V 4.8257 8.6021 127.3182 61.1055 34.2039 173.9466 30 I 4.8520 8.7288 128.8958 59.7149 39.5580 175.3620 31 V 4.7181 8.5106 119.7829 59.2871 35.3980 175.0139 32 N 4.5565 9.0587 116.0141 54.0795 36.7093 177.0468 33 A 4.0014 8.0793 123.1092 55.2778 18.8862 180.4059 34 E 4.1895 8.2187 112.5464 58.2083 30.2352 178.0142 35 K 4.3305 8.1568 118.6998 56.3002 32.8770 176.1870 36 A 4.6933 7.6947 121.6180 52.0620 19.8329 176.9659 37 V 4.9412 8.7641 112.0327 59.5796 36.1729 174.9980 38 I 4.9349 8.6998 123.4475 59.7333 39.9345 175.5888 39 T 4.6385 8.7361 117.5456 61.5965 69.8656 173.8842 40 G 3.8436 8.1024 109.5721 43.7205 0.0000 172.9653 41 N 4.4141 8.4924 117.9812 52.7387 40.3233 175.1607 42 R 3.3326 8.4585 128.0623 59.8598 30.0802 178.3768 43 E 3.7749 7.8245 117.3513 59.2170 29.3728 179.4951 44 V 3.5743 7.5203 117.8142 65.9607 31.7178 178.0141 45 I 3.7976 7.8362 119.7323 64.4478 36.8991 178.3672 46 F 4.5310 8.0641 118.7136 60.8032 38.6475 177.9020 47 S 4.2280 8.2534 114.6290 61.5410 62.1669 176.5037 48 K 3.8042 8.3092 122.4346 60.0191 31.7751 178.2933 49 Y 3.9932 8.3062 116.4802 60.3115 37.6143 177.9347 50 K 4.1243 8.2437 120.5816 59.6701 32.4209 178.6385 51 Q 4.1550 8.1416 117.3910 58.7445 28.6825 178.4453 52 R 4.0301 7.3246 118.0815 57.6525 30.0331 177.0751 53 T 4.0677 7.1952 109.6019 61.3296 69.0120 173.3797 *67 Y 4.4221 8.2141 127.1965 56.1158 39.7887 172.8273 68 P 4.3474 0.0000 0.0000 62.9737 31.9303 176.1680 69 K 4.4785 8.3730 116.7190 55.8529 34.0544 175.7842 70 R 4.5157 7.4420 119.4584 54.7100 32.4400 176.3387 71 S 4.1507 8.7870 123.0869 62.0804 62.9481 177.1285 72 D 4.3705 8.2209 120.9681 56.6311 39.1194 178.2708 73 E 3.9029 8.0921 119.5248 58.9689 29.5229 179.2125 74 I 3.5437 7.9681 120.2601 64.2525 37.1907 178.6554 75 V 3.6087 7.7738 119.0966 66.0007 31.3943 178.1997 76 R 3.9341 8.1349 117.9862 59.4144 29.9767 179.0754 77 R 3.7812 8.1903 118.5570 59.5852 29.7952 178.6604 78 T 3.9237 7.8082 114.7912 66.7815 68.7609 176.4234 79 I 3.8821 7.8027 121.7132 64.1931 37.2259 178.4280 80 R 3.3932 7.9649 119.8695 58.9664 29.5083 178.4636 81 G 3.7166 7.7423 103.6444 46.5380 0.0000 174.3791 82 M 4.4225 7.6436 119.1495 54.3947 32.8404 175.6210 83 L 4.7261 6.7363 119.0923 52.2659 44.7112 175.1428 84 P 4.6480 0.0000 0.0000 64.2150 30.1357 177.5577 85 W 4.9102 7.6695 131.0434 61.3720 31.7731 176.7791 86 K 3.5808 8.0252 118.4921 58.5363 32.1578 177.3304 87 T 4.3418 7.9253 110.3833 60.7245 71.5272 175.1047 88 D 4.3166 8.3651 119.7929 57.2869 41.2667 178.0272 89 R 4.0939 8.0097 119.1984 59.0758 30.1524 178.5843 90 G 3.7368 8.0190 105.6290 47.7831 0.0000 176.0576 91 R 4.3965 8.0243 120.1615 59.0847 29.8620 179.3158 92 K 4.0603 7.8660 116.6893 59.3802 32.3403 178.9875 93 A 4.1972 8.0386 120.6445 55.2215 18.4251 179.5078 94 F 4.3741 8.6595 119.1791 61.3609 39.1970 177.2418 95 R 3.9658 7.9013 117.1728 58.5755 30.1014 177.0067 96 R 4.3581 7.7886 116.8975 55.9228 30.2573 174.7576 97 L 5.1864 7.3096 120.2353 53.2093 44.0677 175.8798 98 K 4.4530 8.7266 124.2456 54.4986 36.1297 175.3427 99 V 4.6894 7.7936 123.3687 61.2715 34.4635 174.0490 100 Y 4.9344 8.9106 123.8384 56.3984 42.5821 174.6987 101 V 4.3041 8.5750 114.8821 61.6298 33.2781 178.3518 102 G 3.8306 9.2564 112.9303 45.9548 0.0000 172.6071 103 I 4.6500 7.9974 120.7984 58.5019 38.6380 173.5547 104 P 4.2900 0.0000 0.0000 62.1190 32.1203 177.5372 105 K 3.8471 8.8086 122.3009 59.7490 31.9442 178.5842 106 E 3.8415 7.7793 114.1535 57.9850 29.7529 177.0345 107 F 4.8790 7.8395 117.2477 57.2188 40.2684 177.2615 108 Q 4.0826 7.9390 119.9531 58.3736 28.5684 177.0711 109 D 4.8900 8.0202 115.2935 53.8355 41.3135 175.8790 110 K 4.5178 7.5226 118.3286 54.4028 34.1507 175.9157 111 Q 4.1048 8.4631 121.8087 55.9975 29.3281 174.8113 112 L 4.7823 8.4152 125.4914 53.3947 43.3057 176.2711 113 E 4.5334 9.2325 124.1302 55.7105 31.9904 174.6491 114 T 4.8038 8.1799 114.7008 60.6131 71.5789 173.2461 115 I 4.3929 7.8951 122.0902 58.9688 38.7888 176.4982 116 V 3.7040 8.5171 119.6471 64.5775 31.5483 179.1022 117 E 3.9676 8.2009 116.5650 58.6868 29.6039 177.4541 118 A 4.4073 7.9259 120.4263 52.0757 19.7948 176.6058 119 H 4.6408 7.9381 115.5477 55.6767 29.3093 177.2241 120 V 3.6844 8.4721 124.4253 64.1864 31.4751 178.2018 121 S 4.2965 7.9414 113.7630 60.1695 62.9323 174.7204 122 R 4.3009 7.7193 119.0727 56.4691 30.0327 176.0231 123 L 4.6535 7.4683 118.7520 53.2523 43.3063 177.1040 124 S 4.2505 8.7992 119.1663 61.4248 63.2241 175.2545 125 R 4.5436 7.4401 118.8420 53.5299 29.4157 171.6718 126 P 4.4214 0.0000 0.0000 61.9758 32.3550 175.9255 127 K 4.6369 8.5860 124.3971 54.8519 35.1323 174.3631 128 Y 5.1639 7.7620 123.9123 56.6195 40.9806 173.5314 129 V 4.7887 8.7829 111.7849 59.8438 36.4697 175.8268 130 T 4.8304 9.2217 113.0953 60.6388 70.3439 176.2350 131 V 3.6826 8.6274 122.4771 66.1418 31.3554 178.6653 132 G 3.7719 8.2326 105.6185 47.2195 0.0000 175.5834 133 E 4.0923 8.1540 120.5129 59.0769 29.4707 179.6288 134 V 3.6568 7.7690 117.8458 65.8589 31.6449 177.8629 135 A 4.0791 8.2762 120.9146 55.1302 18.3366 179.4888 136 K 3.8512 8.2321 118.1315 59.6101 32.0508 178.7119 137 F 3.9026 7.8086 119.7803 61.2261 39.3018 176.7851 138 L 4.0548 7.8394 116.8186 55.8405 41.4559 178.0217 139 G 3.8995 7.5116 106.7885 45.0781 0.0000 174.0122 140 G 3.8962 8.0167 107.6680 43.8486 0.0000 174.5024 141 K 3.9372 8.2515 122.6675 58.9312 32.6152 176.8278 142 F 4.4657 7.0603 117.7969 57.4362 37.1967 173.4453 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 1 M 8.30 4.64 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 2 R 8.73 4.42 0.00 1.87 1.77 0.00 3.06 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 3 I 9.17 4.76 1.84 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.45 0.72 0.00 0.00 4 I 8.68 4.82 1.82 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 1.08 0.67 0.87 0.00 0.00 5 N 9.07 4.89 0.00 2.68 2.73 0.00 0.00 7.22 7.73 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 6 A 8.96 4.11 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.03 4.40 0.00 2.79 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 8 G 8.85 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 9 L 7.69 4.85 0.00 1.74 1.52 0.90 0.52 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 10 I 8.70 4.13 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 1.11 0.76 0.90 0.00 0.00 11 L 9.35 4.01 0.00 1.79 1.73 0.94 0.94 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 12 G 8.10 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.83 4.04 0.00 1.97 1.97 0.00 3.40 0.00 0.00 3.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.53 0.00 14 L 8.22 3.88 0.00 1.71 1.91 0.89 1.21 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 15 A 8.35 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.10 4.07 0.00 4.08 4.14 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 17 R 7.97 4.02 0.00 1.85 2.01 0.00 3.28 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 18 V 8.10 3.61 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 1.09 0.00 0.00 0.98 0.00 0.00 19 A 8.18 4.00 1.43 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 20 K 7.84 3.93 0.00 1.81 1.97 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 21 M 7.89 4.09 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.58 0.00 22 L 8.22 4.19 0.00 1.88 1.91 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.89 4.16 0.00 1.80 1.76 0.95 0.85 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 24 E 7.73 4.44 0.00 2.11 1.98 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 2.33 2.60 0.00 25 G 7.98 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 0.00 0.00 0.00 26 E 7.79 4.37 0.00 2.05 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 0.00 2.34 2.30 0.00 27 E 8.66 4.61 0.00 1.93 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 2.36 2.31 0.00 28 V 8.60 4.79 2.05 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 0.91 0.00 0.00 0.92 0.00 0.00 29 V 8.60 4.83 1.81 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 0.40 0.00 0.00 0.91 0.00 0.00 30 I 8.73 4.85 1.79 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 1.18 0.57 0.87 0.00 0.00 31 V 8.51 4.72 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 0.57 0.00 0.00 0.89 0.00 0.00 32 N 9.06 4.56 0.00 2.97 2.88 0.00 0.00 7.28 7.09 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 33 A 8.08 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.22 4.19 0.00 2.19 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 0.00 2.39 2.31 0.00 35 K 8.16 4.33 0.00 1.96 2.02 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.39 7.81 36 A 7.69 4.69 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 37 V 8.76 4.94 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 0.40 0.00 0.00 0.69 0.00 0.00 38 I 8.70 4.93 1.93 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 1.36 0.86 1.05 0.00 0.00 39 T 8.74 4.64 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 1.24 0.00 0.00 40 G 8.10 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 41 N 8.49 4.41 0.00 2.79 2.63 0.00 0.00 6.52 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 42 R 8.46 3.33 0.00 1.59 1.64 0.00 3.07 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.72 0.00 43 E 7.82 3.77 0.00 2.01 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 2.39 0.00 44 V 7.52 3.57 2.17 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 1.13 0.00 0.00 0.89 0.00 0.00 45 I 7.84 3.80 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 1.58 0.56 1.10 0.00 0.00 46 F 8.06 4.53 0.00 2.78 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 0.00 0.00 0.00 0.00 47 S 8.25 4.23 0.00 4.07 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 48 K 8.31 3.80 0.00 1.87 1.99 0.00 1.50 0.00 0.00 1.47 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.03 1.32 7.81 49 Y 8.31 3.99 0.00 3.23 3.16 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 0.00 50 K 8.24 4.12 0.00 2.17 2.19 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.59 1.60 7.81 51 Q 8.14 4.15 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 52 R 7.32 4.03 0.00 1.50 1.02 0.00 2.23 0.00 0.00 2.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.54 0.00 53 T 7.20 4.07 4.33 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 1.51 0.00 0.00 *67 Y 8.21 4.42 0.00 3.10 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 68 P 0.00 4.35 0.00 2.01 1.84 0.00 2.32 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.54 0.00 69 K 8.37 4.48 0.00 1.73 1.77 0.00 1.62 0.00 0.00 1.89 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.38 7.81 70 R 7.44 4.52 0.00 1.68 1.81 0.00 2.25 0.00 0.00 3.00 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.07 0.00 71 S 8.79 4.15 0.00 4.04 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 72 D 8.22 4.37 0.00 2.83 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 E 8.09 3.90 0.00 2.03 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 2.35 2.27 0.00 74 I 7.97 3.54 1.98 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 1.34 1.05 0.97 0.00 0.00 75 V 7.77 3.61 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 1.01 0.00 0.00 0.95 0.00 0.00 76 R 8.13 3.93 0.00 2.03 2.04 0.00 2.99 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 1.51 1.69 0.00 77 R 8.19 3.78 0.00 1.78 1.95 0.00 3.09 0.00 0.00 2.97 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.76 0.00 78 T 7.81 3.92 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 1.26 0.00 0.00 79 I 7.80 3.88 2.08 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 1.42 0.83 0.98 0.00 0.00 80 R 7.96 3.39 0.00 1.01 1.42 0.00 2.21 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 81 G 7.74 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 82 M 7.64 4.42 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.55 0.00 83 L 6.74 4.73 0.00 1.79 1.65 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.65 0.00 2.25 2.26 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.99 0.00 85 W 7.67 4.91 0.00 3.11 3.08 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 86 K 8.03 3.58 0.00 1.63 1.76 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.34 1.36 7.81 87 T 7.93 4.34 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 1.20 0.00 0.00 88 D 8.37 4.32 0.00 2.71 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 89 R 8.01 4.09 0.00 1.94 1.93 0.00 3.25 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 90 G 8.02 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 0.00 0.00 0.00 91 R 8.02 4.40 0.00 1.94 2.08 0.00 2.97 0.00 0.00 2.74 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.74 0.00 92 K 7.87 4.06 0.00 1.79 1.92 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.52 1.71 7.81 93 A 8.04 4.20 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 94 F 8.66 4.37 0.00 3.27 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 3.97 0.00 1.98 2.24 0.00 3.36 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 96 R 7.79 4.36 0.00 2.11 2.02 0.00 3.26 0.00 0.00 3.11 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 97 L 7.31 5.19 0.00 1.54 1.41 0.85 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.73 4.45 0.00 1.68 1.42 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.31 7.81 99 V 7.79 4.69 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 0.79 0.00 0.00 0.80 0.00 0.00 100 Y 8.91 4.93 0.00 2.92 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 0.00 101 V 8.58 4.30 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 0.81 0.00 0.00 0.41 0.00 0.00 102 G 9.26 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 0.00 103 I 8.00 4.65 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 1.42 0.84 0.97 0.00 0.00 104 P 0.00 4.29 0.00 2.09 1.76 0.00 3.71 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 1.44 1.93 0.00 105 K 8.81 3.85 0.00 1.74 1.71 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.44 7.81 106 E 7.78 3.84 0.00 1.52 1.69 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 1.47 1.47 0.00 107 F 7.84 4.88 0.00 3.12 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 0.00 108 Q 7.94 4.08 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 7.31 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 109 D 8.02 4.89 0.00 2.62 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 0.00 110 K 7.52 4.52 0.00 1.87 1.80 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.42 7.81 111 Q 8.46 4.10 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.73 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 112 L 8.42 4.78 0.00 1.56 1.57 0.93 1.03 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 0.00 113 E 9.23 4.53 0.00 1.90 1.85 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 2.27 2.38 0.00 114 T 8.18 4.80 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 1.24 0.00 0.00 115 I 7.90 4.39 1.80 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 1.38 0.50 0.87 0.00 0.00 116 V 8.52 3.70 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 0.91 0.00 0.00 0.93 0.00 0.00 117 E 8.20 3.97 0.00 1.94 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 2.31 2.31 0.00 118 A 7.93 4.41 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 0.00 119 H 7.94 4.64 0.00 3.33 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.47 3.68 1.80 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 0.48 0.00 0.00 0.72 0.00 0.00 121 S 7.94 4.30 0.00 3.98 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 0.00 122 R 7.72 4.30 0.00 1.92 2.01 0.00 3.50 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 123 L 7.47 4.65 0.00 1.77 1.60 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.80 4.25 0.00 3.86 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 0.00 125 R 7.44 4.54 0.00 1.72 1.81 0.00 3.24 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 126 P 0.00 4.42 0.00 2.24 2.14 0.00 3.72 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 2.09 2.10 0.00 127 K 8.59 4.64 0.00 1.77 1.61 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.31 7.81 128 Y 7.76 5.16 0.00 3.10 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 0.00 129 V 8.78 4.79 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 0.53 0.00 0.00 0.93 0.00 0.00 130 T 9.22 4.83 4.49 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 1.36 0.00 0.00 131 V 8.63 3.68 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 1.07 0.00 0.00 0.95 0.00 0.00 132 G 8.23 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 0.00 0.00 0.00 133 E 8.15 4.09 0.00 2.39 2.24 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 2.42 2.40 0.00 134 V 7.77 3.66 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 0.79 0.00 0.00 1.04 0.00 0.00 135 A 8.28 4.08 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.23 3.85 0.00 1.94 1.99 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.45 7.81 137 F 7.81 3.90 0.00 2.29 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 0.00 138 L 7.84 4.05 0.00 1.79 1.71 1.06 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 139 G 7.51 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 0.00 140 G 8.02 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 0.00 141 K 8.25 3.94 0.00 1.39 0.98 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.59 7.81 142 F 7.06 4.47 0.00 3.21 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 * Residues marked with a * may have inaccurate shift predictions.