NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 27 L 4.3865 8.1849 122.4927 54.5937 43.2872 176.2094 28 E 4.2437 8.6006 121.7489 56.7043 30.0592 173.2044 29 E 3.9842 10.0861 120.6166 57.0514 29.0354 174.0247 30 N 5.1140 7.7605 112.9280 51.0047 43.5024 172.4386 31 P 4.8051 0.0000 0.0000 62.7492 32.0218 176.1594 32 A 4.0928 9.0145 127.3480 51.3922 18.8498 175.7914 33 P 4.3005 0.0000 0.0000 62.3208 32.1483 176.0110 34 D 4.6714 8.5437 121.9216 54.3482 42.2110 174.9911 35 F 5.0813 7.7781 117.5617 56.2748 41.3507 172.5956 36 T 5.0860 8.6360 116.2027 61.9117 71.0925 173.5696 37 L 4.9295 9.0731 125.5141 52.8205 46.6651 175.9150 38 N 4.9740 8.8847 119.3544 54.1320 40.0447 174.7524 39 T 4.9655 7.9871 118.4152 61.3393 70.4869 175.0438 40 L 4.1640 8.7002 121.7979 57.7808 41.9593 178.0345 41 N 4.8150 8.1758 115.2237 52.8249 37.8566 176.6507 42 G 3.9983 8.4250 107.1415 46.3617 0.0000 173.8249 43 E 4.3514 7.5303 119.9573 55.8128 31.3998 175.1830 44 V 4.9471 8.1430 120.8634 60.9249 34.6311 174.4460 45 V 4.4194 8.6729 126.7130 60.8496 34.3654 174.0893 46 K 4.7507 8.2316 127.8064 54.1121 34.3297 176.3347 47 L 3.6508 8.0031 128.7148 58.1393 42.3711 178.1443 48 S 4.1724 8.2598 114.7474 61.9226 62.8272 175.8440 49 D 4.5267 7.7234 116.4643 55.1657 40.5103 176.5351 50 L 4.6008 7.6959 118.5718 53.7234 42.8146 176.4000 51 K 3.9636 7.8850 118.1829 58.3990 32.3116 177.1008 52 G 3.9499 9.6634 112.0151 45.0184 0.0000 173.2374 53 Q 4.9504 7.6498 117.9713 53.7827 32.8373 175.0523 54 V 4.2593 8.1650 121.4426 61.1569 33.5346 175.1572 55 V 4.5615 8.5276 122.8526 61.1360 34.8380 173.9368 56 I 4.5486 7.7931 128.8876 60.1332 38.4271 175.5443 57 V 4.1456 8.8905 128.4902 61.3131 32.8840 173.4212 58 N 5.2325 8.9326 127.8848 52.0673 41.1013 173.3911 59 F 5.6403 9.1921 124.9053 55.6319 41.7814 174.5923 60 W 5.2195 8.5118 118.0467 55.6106 31.6885 173.0926 61 A 3.9598 7.8091 121.9522 49.6991 21.8954 177.2467 62 T 3.0327 7.7352 109.5727 63.7168 68.8365 175.7236 63 W 4.5221 6.7347 116.4546 56.5749 28.9096 176.6553 64 C 4.8438 7.4400 120.7221 55.1188 45.1564 171.9680 65 P 4.3090 0.0000 0.0000 65.3970 30.8884 176.9337 66 P 4.3375 0.0000 0.0000 65.4357 31.4947 179.2287 67 C 4.5369 8.1769 115.1512 60.2302 35.3568 176.0287 68 R 4.0336 8.0924 119.6454 59.3575 29.4557 178.5461 69 E 4.0032 8.3103 118.5245 58.9847 29.7239 178.0246 70 E 4.3909 8.1188 116.1495 57.0403 30.0712 178.0832 71 I 3.3794 7.0120 121.0438 64.0873 37.3460 175.2039 72 P 4.2892 0.0000 0.0000 65.6153 31.4557 177.6641 73 S 4.3264 7.6627 115.0047 58.0666 61.2330 174.3676 *76 R 4.2122 8.2090 127.4429 56.7128 32.0365 177.8982 77 L 3.8543 7.6897 117.8401 58.0479 42.2624 177.7349 78 N 4.2624 8.1129 115.7482 56.5564 39.0924 175.7285 79 A 4.0444 7.8977 119.2754 55.0625 18.5936 179.3219 80 A 4.0224 7.8202 117.9045 52.0570 17.5502 177.0672 *82 A 3.9866 7.9559 121.2902 54.8358 19.5669 178.3909 83 G 3.9874 8.9959 109.9676 45.1761 0.0000 173.5564 84 K 4.5439 7.4635 117.5589 54.2620 35.1833 174.7135 85 P 4.7340 0.0000 0.0000 62.4649 29.1821 175.5102 86 F 5.2744 7.9315 120.9713 56.8719 43.1404 175.5057 87 R 4.2532 7.2969 121.6007 54.9259 34.7802 173.6171 *89 L 3.9271 8.4549 119.9686 55.9093 43.0548 176.1498 90 C 4.2821 8.4893 124.7328 57.8289 27.3553 171.6181 91 V 3.8768 8.4179 121.0603 63.1297 32.5746 174.2798 92 S 4.4608 9.2931 124.1413 56.3280 63.4030 174.3019 93 I 4.3485 7.7967 126.5237 61.1955 38.1233 175.7939 94 D 4.3030 7.2655 123.3137 54.7426 41.2539 176.9694 95 E 3.8664 9.3567 125.3356 59.5798 29.5671 178.1547 96 G 3.7899 8.2346 104.2409 45.2136 0.0000 174.2019 97 G 3.7439 7.8225 109.2695 45.8837 0.0000 175.9508 98 K 3.7586 8.8013 119.6803 59.7357 32.1903 178.7034 99 V 3.5693 7.8594 117.5040 66.1003 31.3765 177.6970 100 A 3.9985 7.7409 120.4740 55.0914 18.1479 179.8445 101 V 3.3568 7.6430 116.7449 66.0699 31.6575 177.9986 102 E 4.0044 8.4387 118.7585 59.4581 29.3526 179.0847 103 E 3.9643 8.1117 118.7360 59.1563 29.8794 178.5025 104 F 4.3047 8.3001 120.6896 61.6529 39.5351 177.0424 105 F 4.6223 8.6487 117.5607 60.7408 38.4212 177.7399 106 R 3.9602 7.8417 117.5861 59.0882 30.0655 178.0406 107 K 4.2507 7.7848 115.3777 57.3328 32.4475 177.3899 108 T 3.9632 7.0375 106.3839 60.0045 70.4169 175.2687 109 G 3.7580 7.9924 108.8552 45.8602 0.0000 173.6525 110 F 4.6163 7.1805 117.5786 57.2779 39.5313 174.9854 111 T 3.6839 7.5721 116.6038 60.4708 70.3648 172.7497 112 L 4.3163 7.6152 124.2004 53.1058 45.6380 174.0197 113 P 4.5400 0.0000 0.0000 62.8142 30.6383 174.5553 114 V 4.9094 8.2618 124.2402 61.2400 33.8718 174.0069 115 L 5.1195 8.2939 125.6992 52.9988 44.6831 175.2578 116 L 4.5857 8.3426 123.3175 53.0465 42.9216 177.0400 117 D 4.7554 8.6841 123.4487 52.7076 41.0323 176.0146 118 A 4.1753 7.9010 123.6839 54.6005 19.1738 178.2949 119 D 4.6361 8.0019 113.0099 52.7081 39.9356 177.9347 120 K 3.9879 7.7338 118.3980 57.5029 31.7160 177.9689 121 R 3.8145 8.1719 119.5550 59.7054 29.9268 178.1238 122 V 3.7678 8.0764 117.7917 65.3509 31.6169 177.9211 123 G 3.3201 8.4709 105.8048 47.8343 0.0000 175.6932 124 K 3.9361 8.3156 121.6379 58.9692 31.8684 179.2248 125 L 4.0801 7.7495 119.3423 58.0796 42.0380 177.7262 126 Y 3.9008 7.9437 114.0940 56.8547 38.1054 175.3838 127 G 4.0097 8.4441 108.5130 46.4301 0.0000 174.4530 128 T 4.6413 7.7947 108.0540 61.0278 69.3276 174.2486 129 T 4.4278 8.5161 112.4591 61.1274 70.2316 173.9794 130 G 4.0485 7.2755 108.1014 46.1188 0.0000 172.4849 131 V 4.6009 8.2045 110.9629 58.9556 35.6824 173.7340 132 P 5.4316 0.0000 0.0000 62.2760 33.0586 175.2090 133 E 5.1625 8.8131 120.5150 55.3898 33.9669 174.3105 134 T 5.1552 9.2024 121.1809 61.8050 72.2658 172.8737 135 F 5.3575 9.2941 124.5314 55.8074 42.0885 174.6206 136 V 4.8249 8.7445 123.2250 61.4349 33.4757 174.3517 137 I 5.2071 8.7550 128.9475 59.5986 40.4679 175.3804 138 D 5.1293 8.9298 126.8327 51.6655 41.5349 177.3330 139 R 3.9827 8.5807 113.7156 58.3358 28.9856 177.4440 140 H 4.6404 8.2955 112.7143 55.4416 29.4921 175.2931 141 G 4.0011 8.6662 109.1427 45.0501 0.0000 173.0530 142 V 4.5018 8.3687 120.2938 60.8976 33.0695 174.8323 143 I 4.4664 8.3088 128.0016 61.4980 37.4230 176.2263 144 L 4.5519 9.3383 129.8503 55.7875 43.7680 176.5798 145 K 4.3978 7.5741 114.0508 55.5516 36.1783 173.6385 146 K 4.8182 8.8895 125.3396 54.4716 34.6794 175.0849 147 V 4.4479 8.5899 126.4587 61.1787 34.3189 174.4824 148 V 4.5233 8.4941 120.5111 60.7010 33.9872 176.7514 149 G 3.8137 8.6965 112.0024 44.5583 0.0000 172.5669 150 A 4.7495 7.9299 121.2277 51.1195 19.2207 177.1212 *152 E 3.9546 8.3435 116.7166 56.1129 29.2499 177.0888 153 W 4.1397 8.6646 125.3050 59.2274 29.3278 177.9284 154 D 4.5771 8.1668 116.0279 55.0357 39.2169 176.0673 155 H 4.5097 8.0511 119.2464 54.9399 29.8032 174.4890 156 P 4.2319 0.0000 0.0000 66.0540 31.0586 178.3951 157 E 3.9869 8.2792 116.7035 59.5129 29.3817 179.3324 158 V 3.8806 8.3251 118.1547 65.3816 31.8496 178.1306 159 I 3.7302 7.8125 119.0697 64.4769 37.0423 178.1159 160 A 4.0905 8.0496 121.3610 54.9864 18.0368 179.4823 161 F 4.2115 8.2396 119.5866 61.0480 39.2940 176.7542 162 L 4.2698 7.8149 115.9985 55.7696 41.9463 178.2170 163 N 4.5409 7.8160 116.8814 55.7593 38.9735 176.4341 164 N 4.1719 7.9078 118.4633 56.9906 38.7678 176.3087 165 E 3.8996 7.4951 118.4172 58.5442 29.6415 178.0642 166 L 4.3436 7.9416 120.6776 56.9786 42.0195 177.4149 167 S 4.3451 7.9024 119.1622 58.0535 63.1850 176.9176 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 27 L 8.18 4.39 0.00 1.62 1.65 0.97 0.66 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 28 E 8.60 4.24 0.00 2.12 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 2.37 2.56 0.00 29 E 10.09 3.98 0.00 2.10 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 2.45 0.00 30 N 7.76 5.11 0.00 2.76 2.65 0.00 0.00 7.00 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.81 0.00 1.94 2.02 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 32 A 9.01 4.09 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 33 P 0.00 4.30 0.00 1.96 1.92 0.00 2.71 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.82 0.00 34 D 8.54 4.67 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 7.78 5.08 0.00 3.20 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 36 T 8.64 5.09 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 1.22 0.00 0.00 37 L 9.07 4.93 0.00 1.66 1.56 0.86 0.66 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 38 N 8.88 4.97 0.00 2.66 2.75 0.00 0.00 7.00 7.05 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 39 T 7.99 4.97 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 1.27 0.00 0.00 40 L 8.70 4.16 0.00 1.71 1.80 1.10 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.18 4.81 0.00 2.96 3.05 0.00 0.00 6.27 7.38 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 42 G 8.43 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 0.00 0.00 0.00 43 E 7.53 4.35 0.00 2.14 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 2.30 2.26 0.00 44 V 8.14 4.95 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 0.84 0.00 0.00 0.94 0.00 0.00 45 V 8.67 4.42 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 0.87 0.00 0.00 0.91 0.00 0.00 46 K 8.23 4.75 0.00 1.71 1.52 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.26 7.81 47 L 8.00 3.65 0.00 0.66 1.42 0.79 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.26 4.17 0.00 3.88 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 D 7.72 4.53 0.00 2.71 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 50 L 7.70 4.60 0.00 1.95 1.53 0.84 0.53 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 51 K 7.88 3.96 0.00 1.96 1.75 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.05 7.81 52 G 9.66 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.65 4.95 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.22 0.00 54 V 8.17 4.26 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 0.81 0.00 0.00 1.03 0.00 0.00 55 V 8.53 4.56 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 0.88 0.00 0.00 0.85 0.00 0.00 56 I 7.79 4.55 1.63 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 1.00 0.95 0.55 0.00 0.00 57 V 8.89 4.15 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 0.26 0.00 0.00 0.91 0.00 0.00 58 N 8.93 5.23 0.00 2.61 2.45 0.00 0.00 6.78 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 59 F 9.19 5.64 0.00 3.11 2.92 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 60 W 8.51 5.22 0.00 3.42 3.09 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 0.00 0.00 0.00 0.00 61 A 7.81 3.96 -0.37 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 62 T 7.74 3.03 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 63 W 6.73 4.52 0.00 3.48 3.23 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 64 C 7.44 4.84 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 65 P 0.00 4.31 0.00 2.28 2.18 0.00 3.79 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 66 P 0.00 4.34 0.00 2.08 2.17 0.00 3.77 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 2.09 2.23 0.00 67 C 8.18 4.54 0.00 3.22 3.32 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 68 R 8.09 4.03 0.00 2.08 2.35 0.00 3.66 0.00 0.00 3.60 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 69 E 8.31 4.00 0.00 2.26 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 2.38 2.53 0.00 70 E 8.12 4.39 0.00 2.45 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 0.00 2.59 2.36 0.00 71 I 7.01 3.38 1.39 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.45 -0.06 0.00 0.00 72 P 0.00 4.29 0.00 2.05 2.18 0.00 3.66 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.21 0.00 73 S 7.66 4.33 0.00 4.27 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 *76 R 8.21 4.21 0.00 1.93 2.05 0.00 3.14 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 77 L 7.69 3.85 0.00 1.69 1.71 1.11 0.92 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 78 N 8.11 4.26 0.00 2.65 2.78 0.00 0.00 6.92 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 79 A 7.90 4.04 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 80 A 7.82 4.02 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 *82 A 7.96 3.99 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 83 G 9.00 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.46 4.54 0.00 1.76 1.76 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.42 7.81 85 P 0.00 4.73 0.00 2.09 2.01 0.00 3.56 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 2.11 2.08 0.00 86 F 7.93 5.27 0.00 2.98 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.30 4.25 0.00 1.47 1.60 0.00 3.35 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.64 0.00 *89 L 8.45 3.93 0.00 1.52 1.63 0.82 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 90 C 8.49 4.28 0.00 2.93 2.41 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 91 V 8.42 3.88 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 0.77 0.00 0.00 0.57 0.00 0.00 92 S 9.29 4.46 0.00 2.93 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.80 4.35 1.72 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.71 0.92 0.00 0.00 94 D 7.27 4.30 0.00 2.36 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.36 3.87 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 96 G 8.23 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 97 G 7.82 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 98 K 8.80 3.76 0.00 1.83 1.83 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.52 1.52 7.81 99 V 7.86 3.57 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 1.00 0.00 0.00 0.93 0.00 0.00 100 A 7.74 4.00 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 0.00 101 V 7.64 3.36 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.73 0.00 0.00 102 E 8.44 4.00 0.00 2.02 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 0.00 2.54 2.50 0.00 103 E 8.11 3.96 0.00 2.18 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 0.00 2.40 2.37 0.00 104 F 8.30 4.30 0.00 3.18 3.19 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 0.00 105 F 8.65 4.62 0.00 3.27 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 0.00 106 R 7.84 3.96 0.00 1.99 2.24 0.00 3.28 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 107 K 7.78 4.25 0.00 1.76 1.81 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.58 7.81 108 T 7.04 3.96 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 0.65 0.00 0.00 109 G 7.99 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 0.00 0.00 0.00 110 F 7.18 4.62 0.00 2.80 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.57 3.68 3.99 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 0.00 0.00 0.00 1.08 0.00 0.00 112 L 7.62 4.32 0.00 1.68 1.41 0.40 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.54 0.00 2.04 2.01 0.00 3.49 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 2.08 2.07 0.00 114 V 8.26 4.91 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 1.15 0.00 0.00 1.35 0.00 0.00 115 L 8.29 5.12 0.00 1.69 1.58 1.04 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.34 4.59 0.00 1.55 1.58 0.98 0.91 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 0.00 117 D 8.68 4.76 0.00 2.61 2.55 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 0.00 118 A 7.90 4.18 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 0.00 119 D 8.00 4.64 0.00 2.78 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 0.00 120 K 7.73 3.99 0.00 2.01 1.99 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.33 1.50 7.81 121 R 8.17 3.81 0.00 1.95 1.98 0.00 3.11 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 122 V 8.08 3.77 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 0.11 0.00 0.00 0.84 0.00 0.00 123 G 8.47 3.32 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 0.00 124 K 8.32 3.94 0.00 1.89 1.85 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.53 7.81 125 L 7.75 4.08 0.00 1.75 1.99 0.93 1.17 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 0.00 126 Y 7.94 3.90 0.00 2.75 2.72 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 0.00 127 G 8.44 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 0.00 128 T 7.79 4.64 4.31 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 0.91 0.00 0.00 129 T 8.52 4.43 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 1.22 0.00 0.00 130 G 7.28 4.05 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 0.00 0.00 0.00 131 V 8.20 4.60 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 0.82 0.00 0.00 0.88 0.00 0.00 132 P 0.00 5.43 0.00 2.21 2.22 0.00 3.91 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.05 0.00 133 E 8.81 5.16 0.00 2.07 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 2.64 0.00 134 T 9.20 5.16 4.52 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 135 F 9.29 5.36 0.00 3.12 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 0.00 136 V 8.74 4.82 2.34 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 1.23 0.00 0.00 1.17 0.00 0.00 137 I 8.76 5.21 1.90 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.77 1.00 0.00 0.00 138 D 8.93 5.13 0.00 2.72 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 0.00 139 R 8.58 3.98 0.00 1.83 2.19 0.00 3.11 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 140 H 8.30 4.64 0.00 3.15 3.39 0.00 5.86 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 0.00 141 G 8.67 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 0.00 0.00 0.00 142 V 8.37 4.50 2.31 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 1.10 0.00 0.00 0.97 0.00 0.00 143 I 8.31 4.47 2.16 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.75 1.23 0.00 0.00 144 L 9.34 4.55 0.00 1.88 1.91 1.12 0.67 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 0.00 145 K 7.57 4.40 0.00 1.90 1.65 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.72 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.31 0.87 7.81 146 K 8.89 4.82 0.00 1.37 1.53 0.00 1.56 0.00 0.00 1.53 0.00 0.00 2.50 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.08 0.67 7.81 147 V 8.59 4.45 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 1.03 0.00 0.00 1.00 0.00 0.00 148 V 8.49 4.52 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 0.73 0.00 0.00 0.91 0.00 0.00 149 G 8.70 3.81 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 0.00 0.00 0.00 150 A 7.93 4.75 1.29 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 0.00 0.00 0.00 *152 E 8.34 3.95 0.00 1.47 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 2.00 1.75 0.00 153 W 8.66 4.14 0.00 3.31 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 0.00 154 D 8.17 4.58 0.00 2.82 2.84 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 0.00 155 H 8.05 4.51 0.00 3.25 3.22 0.00 5.68 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 P 0.00 4.23 0.00 2.14 2.12 0.00 3.52 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 2.07 2.19 0.00 157 E 8.28 3.99 0.00 2.09 1.99 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 0.00 2.40 1.95 0.00 158 V 8.33 3.88 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 1.38 0.00 0.00 0.87 0.00 0.00 159 I 7.81 3.73 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.16 0.91 0.00 0.00 160 A 8.05 4.09 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 F 8.24 4.21 0.00 3.21 3.14 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 0.00 162 L 7.81 4.27 0.00 1.91 1.82 1.20 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 163 N 7.82 4.54 0.00 2.98 2.84 0.00 0.00 6.46 6.24 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 0.00 164 N 7.91 4.17 0.00 2.86 2.71 0.00 0.00 6.92 7.72 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 0.00 165 E 7.50 3.90 0.00 1.80 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 2.17 2.32 0.00 166 L 7.94 4.34 0.00 1.87 1.71 0.94 0.78 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 0.00 167 S 7.90 4.35 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 * Residues marked with a * may have inaccurate shift predictions.