NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Q 4.5157 8.2033 119.6903 56.1010 30.6722 176.4886 7 V 3.5634 8.2743 120.0816 62.5708 32.6684 176.6968 8 I 4.0681 8.4254 113.0851 62.5909 38.2176 175.9702 9 F 4.9318 7.3982 118.8335 57.3108 39.9311 176.0978 10 D 4.5147 8.4198 122.0758 54.4047 42.5267 177.0396 11 K 4.0321 8.7747 125.6972 60.4618 32.6070 179.1203 12 N 4.4253 8.4552 117.5096 55.7274 38.3252 177.6993 13 V 3.6206 7.7586 119.4557 65.9625 31.7658 177.8358 14 I 3.7687 7.8229 119.5775 64.7338 37.1511 178.3504 15 E 4.0525 8.0869 119.0099 59.1672 29.1442 179.2955 16 F 4.2141 8.1485 120.7805 61.2223 39.4185 177.2384 17 V 3.3852 8.0842 118.1644 66.2521 31.2199 178.0362 18 T 3.8295 7.8706 115.5267 66.7655 68.2991 177.0549 19 V 3.6548 7.6650 120.3644 64.4959 31.3998 178.2065 20 A 3.7677 8.0324 121.6885 54.8924 18.0631 179.4961 21 A 3.8934 8.1090 119.4138 55.3027 18.4116 179.7182 22 E 3.9475 8.2174 117.2118 59.3518 29.5212 179.3987 23 F 4.2687 8.6454 121.0635 61.6693 39.5776 177.0092 24 C 4.1594 8.4518 116.2419 62.7912 27.8489 176.0258 25 A 4.2598 8.3476 124.0551 54.4373 17.7175 179.4076 26 F 4.0778 8.1710 118.2772 61.6303 39.9577 177.1408 27 L 3.9636 7.7544 118.4454 57.7124 41.4312 179.3609 28 E 3.9586 8.3047 118.2729 58.3006 29.2171 178.4384 29 R 4.4408 7.2214 116.5794 55.6627 30.2561 177.6618 30 A 3.6964 7.3347 124.2856 55.4784 18.2557 179.7239 31 E 4.0358 7.9781 111.8858 58.0520 29.8152 177.3603 32 S 4.5870 7.5051 116.2076 57.8101 63.2276 174.3564 *34 K 4.1201 7.5668 118.8294 55.9306 34.7014 176.3625 35 R 4.0101 8.3513 120.5222 59.6119 29.9789 178.8159 36 S 4.1423 8.0869 113.5994 61.9852 62.9572 176.5942 37 T 3.9308 7.9258 119.1539 65.9270 68.2746 176.3132 38 F 4.4310 8.4735 122.6236 61.4109 39.6043 177.3428 39 V 3.5062 8.3989 118.1602 66.1459 29.7939 177.5726 40 D 4.3290 8.1652 118.5766 57.8597 40.5861 179.1370 41 T 3.9634 7.8638 116.0916 66.7629 68.3342 177.1506 42 T 3.5908 7.5784 117.6271 66.2923 68.1892 176.2781 43 L 4.1483 7.5599 118.6327 56.2573 41.9115 178.4508 44 K 4.3094 7.1371 117.6233 58.2671 32.8635 178.7799 45 I 3.7194 7.7747 120.2617 64.1907 36.9582 178.3364 46 L 4.0164 8.1029 120.2234 57.4443 41.5353 177.9538 47 P 4.2993 0.0000 0.0000 65.7675 31.1361 178.1890 48 L 4.0104 7.6251 119.6870 57.7491 42.0181 178.6526 49 L 4.0093 8.2848 120.6959 58.1971 41.9734 178.3420 50 Y 3.9531 8.4206 119.7142 60.5213 38.5748 177.6354 51 L 3.9911 7.9905 119.8926 58.3637 42.3238 178.8617 52 K 4.0994 8.1355 116.8164 59.3177 32.0216 178.9576 53 A 3.2228 7.7059 120.3641 54.4892 18.2828 180.7588 54 S 3.8912 7.2085 113.6001 57.3802 63.2740 174.4470 *56 L 3.9179 7.3618 119.9320 53.7959 42.5771 175.2817 57 P 4.5293 0.0000 0.0000 61.5290 32.4918 176.0300 58 K 4.0606 8.3702 118.8324 56.6279 32.3386 176.5728 59 C 5.0316 8.4151 121.6512 57.8509 31.6973 173.7639 60 E 4.5959 8.0499 120.0221 56.6785 29.3579 177.4855 *62 I 4.1822 8.5760 115.1123 59.5596 39.7711 176.2714 63 G 4.0680 8.0629 106.5678 44.6379 0.0000 173.7758 64 D 4.4032 8.3093 125.0585 55.1414 38.7594 176.2328 65 E 4.1151 8.8446 129.2000 56.7595 29.9051 176.0703 66 S 4.3675 8.4857 122.5156 57.6286 63.6690 172.5395 67 P 4.4728 0.0000 0.0000 62.1586 31.8316 176.3572 68 E 4.2474 8.5898 120.6178 56.9394 30.1061 176.6040 69 T 4.8210 8.3452 117.5563 62.3489 71.2145 173.1899 70 Y 4.0926 8.8029 123.4796 59.0526 40.3675 176.4269 71 V 3.7250 8.5251 120.5101 63.1980 31.7815 175.8963 72 T 4.5454 8.0756 117.6830 59.7713 72.4052 174.7688 73 E 3.9492 8.5226 120.7351 59.3837 29.4715 178.2331 74 E 3.9427 8.1037 118.8374 59.2644 29.9165 178.6035 75 I 3.6950 7.6169 119.4034 64.5371 37.1667 177.7617 76 Y 4.0247 8.2761 120.2644 60.8518 38.6446 177.9871 77 E 3.9462 8.7479 119.9189 59.3835 29.5723 179.5275 78 V 3.5010 7.9464 118.3985 65.7647 31.5243 177.8802 79 L 3.6786 7.6298 119.8237 57.9703 41.8351 178.7337 80 R 3.6470 7.6558 118.6659 59.5739 29.9691 178.4888 81 I 3.6243 7.7507 119.4741 64.4345 37.1137 178.2364 82 N 4.2388 8.0302 117.3171 56.2278 38.3386 177.5394 83 L 3.6337 7.9473 120.2804 57.5263 41.5840 179.3633 84 A 3.9744 8.1594 121.0384 55.2822 18.0534 179.9204 85 S 4.0037 7.8456 112.8167 61.5886 62.9130 176.6984 86 I 3.7112 7.2172 121.6203 64.3835 37.1385 178.2316 87 L 4.0267 7.9598 119.4815 55.5412 41.9083 178.0657 88 A 3.4136 8.8172 122.4432 52.6908 17.6722 180.1562 89 E 4.0829 8.9307 114.7247 60.7015 29.3987 178.4233 90 K 4.2054 7.9629 118.2190 58.2756 32.6510 177.7272 91 D 4.5198 8.3606 119.3883 56.8991 41.3935 175.6124 92 D 5.4620 7.9553 118.0721 53.9257 42.0277 175.7646 93 Y 4.9656 8.8475 121.9469 56.3324 42.0086 174.3528 94 L 4.8169 8.5157 126.2467 54.2212 42.1320 177.1799 95 E 5.0157 8.2537 121.4386 54.1449 33.4753 172.8742 *108 I 4.0416 7.1420 113.7655 61.0674 39.7110 175.4216 109 K 4.5806 8.5267 124.3275 56.2922 32.7827 176.3246 110 K 4.6442 8.5694 123.3573 54.4748 37.1064 174.7252 111 N 5.5780 8.3583 117.4600 51.2706 41.6617 175.8165 112 I 3.9210 9.4399 125.8965 64.6322 37.3124 178.6298 113 S 4.1544 9.0860 115.3879 61.6520 62.5273 176.3632 114 E 3.9946 8.1851 122.2998 58.9096 29.4813 178.2173 115 D 4.5263 8.2225 118.8600 57.5684 40.9014 178.8275 116 L 4.2534 8.5012 119.5205 57.9315 41.6852 179.5134 117 A 4.0013 8.2302 120.6948 55.1315 17.9040 179.4696 118 D 4.6594 8.7064 117.7211 57.7585 40.9293 179.0542 119 I 3.8672 8.2655 120.4198 64.5614 37.1282 177.6802 120 Y 4.2822 8.6991 120.7827 60.8742 38.4177 177.9432 121 Q 4.0733 8.5415 120.3206 59.5661 29.0373 178.3955 122 D 4.3827 7.8042 118.3158 57.3592 40.9172 178.9090 123 I 3.5700 7.6373 120.3743 64.1562 37.1043 178.4149 124 K 3.6372 8.2151 120.7535 59.4827 31.7088 178.5131 125 D 4.5211 7.8640 119.0836 57.2533 40.6789 178.6031 126 F 4.4048 8.0659 121.4990 61.4665 39.5859 177.4012 127 I 3.1282 7.6962 112.6059 63.3568 37.0185 177.9039 128 F 4.1622 7.8253 121.9578 61.3246 39.6019 176.9193 129 V 3.3507 7.4731 117.7952 65.8309 31.4699 177.5620 130 F 3.8435 8.0732 120.4501 61.2710 38.9006 176.5052 131 Q 4.1178 7.6252 116.6767 57.8036 29.0281 177.2499 132 L 4.0068 7.4025 118.9048 55.8768 41.6776 178.0197 133 G 3.6590 7.2653 105.3711 45.1109 0.0000 173.0205 134 L 4.2557 7.3632 122.3792 53.3091 42.3147 176.0233 135 N 4.1684 8.9882 125.6410 56.9975 39.2010 175.5108 136 E 4.1430 8.4114 117.0159 59.8167 29.8238 179.8284 137 T 4.4239 7.2598 107.8835 61.8401 69.0299 176.1439 *139 N 4.6899 8.3017 121.5302 55.0242 40.9975 175.6869 140 D 4.4307 8.2578 118.1641 57.3131 40.8027 178.9135 141 S 4.2639 8.6011 115.2563 61.2545 62.9183 176.4417 142 L 3.5955 8.2078 123.2550 57.8287 41.9628 178.4553 143 A 3.9659 8.1705 120.7964 55.3099 18.2074 179.6815 144 I 3.6665 8.0386 118.3209 64.6732 37.3364 178.1836 145 C 4.1980 8.1839 119.4968 62.6373 31.2376 175.4253 146 Q 3.8620 8.3596 121.5337 59.0606 28.6966 177.7964 147 E 3.9012 8.4490 120.5690 59.3856 29.6784 178.3854 148 N 4.6122 8.6843 116.0225 55.1963 38.5197 177.2060 149 F 3.7687 8.0915 122.7200 61.1640 39.1845 177.2976 150 G 3.2620 7.3032 103.3591 47.3810 0.0000 175.4905 151 L 4.1809 7.6493 120.3453 57.2724 41.9135 176.7414 152 L 4.6783 8.2475 119.2532 55.0081 49.8100 176.8098 153 W 4.5320 8.5720 128.0182 60.4734 30.6397 177.7627 154 G 2.9025 7.5194 105.8586 47.6916 0.0000 175.4356 155 Q 3.9598 7.7738 121.5355 58.7644 29.1474 178.1623 156 K 4.1051 8.0631 119.2148 59.1946 31.8276 179.1154 157 L 4.1222 8.1401 119.9880 58.4907 42.2401 179.2339 158 V 3.7063 7.5445 110.7026 64.3473 31.7162 178.0634 159 N 4.5860 8.4229 116.4162 56.3964 38.4409 178.3177 160 T 4.0568 8.0480 116.6387 63.5513 68.5948 176.6340 *162 R 4.1093 8.0339 122.0636 56.4271 32.1805 177.0684 163 A 3.6985 7.7898 119.3055 55.2558 18.2135 179.6732 164 L 3.9668 8.2698 117.7680 58.0082 41.5245 179.2825 165 H 4.2248 8.1816 117.8202 59.5320 29.9115 176.9388 166 D 4.4046 8.2281 120.7057 57.2691 40.3680 178.8926 167 V 3.5863 7.5422 118.1240 65.7924 31.5782 177.7525 168 K 3.8658 7.7664 118.2126 59.1147 32.1613 177.6152 169 Y 4.4877 7.7278 114.8275 57.9625 39.3282 176.5455 170 S 4.2193 7.5381 113.9538 57.5523 63.0089 172.1320 171 P 4.3094 0.0000 0.0000 62.8505 31.5919 176.8403 172 K 4.2838 8.4102 122.6910 56.3547 34.1815 176.0238 173 A 3.7166 8.5009 120.3511 53.9935 15.6244 178.4675 174 R 4.2280 8.0464 119.5924 57.4352 31.1816 177.7159 *175 L 4.1847 8.4414 118.6255 54.9048 40.7893 178.2641 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 6 Q 8.20 4.52 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.87 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 7 V 8.27 3.56 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 0.77 0.00 0.00 0.94 0.00 0.00 8 I 8.43 4.07 1.69 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.36 0.94 0.00 0.00 9 F 7.40 4.93 0.00 3.10 3.07 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 10 D 8.42 4.51 0.00 2.88 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 11 K 8.77 4.03 0.00 2.05 2.10 0.00 1.57 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.56 7.81 12 N 8.46 4.43 0.00 3.06 2.86 0.00 0.00 6.61 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 13 V 7.76 3.62 2.35 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 1.23 0.00 0.00 0.98 0.00 0.00 14 I 7.82 3.77 2.08 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 1.90 0.84 0.98 0.00 0.00 15 E 8.09 4.05 0.00 2.02 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 0.00 2.36 2.58 0.00 16 F 8.15 4.21 0.00 3.15 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 17 V 8.08 3.39 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 0.95 0.00 0.00 0.44 0.00 0.00 18 T 7.87 3.83 4.39 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 1.21 0.00 0.00 19 V 7.66 3.65 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 0.98 0.00 0.00 0.96 0.00 0.00 20 A 8.03 3.77 0.94 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 0.00 0.00 21 A 8.11 3.89 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 E 8.22 3.95 0.00 2.20 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 2.45 0.00 23 F 8.65 4.27 0.00 3.12 3.29 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 24 C 8.45 4.16 0.00 3.00 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 25 A 8.35 4.26 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 26 F 8.17 4.08 0.00 3.09 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 27 L 7.75 3.96 0.00 1.46 1.40 0.50 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.30 3.96 0.00 2.18 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 0.00 2.32 2.42 0.00 29 R 7.22 4.44 0.00 1.69 1.83 0.00 3.15 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 30 A 7.33 3.70 1.04 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 31 E 7.98 4.04 0.00 1.88 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 2.19 2.21 0.00 32 S 7.51 4.59 0.00 3.91 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 *34 K 7.57 4.12 0.00 1.81 1.78 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.45 7.81 35 R 8.35 4.01 0.00 1.98 1.95 0.00 3.20 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 36 S 8.09 4.14 0.00 4.09 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 37 T 7.93 3.93 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 38 F 8.47 4.43 0.00 3.17 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 39 V 8.40 3.51 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 0.93 0.00 0.00 1.11 0.00 0.00 40 D 8.17 4.33 0.00 2.76 2.68 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 41 T 7.86 3.96 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 0.38 0.00 0.00 42 T 7.58 3.59 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 1.21 0.00 0.00 43 L 7.56 4.15 0.00 1.78 1.76 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.14 4.31 0.00 1.86 1.78 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.57 7.81 45 I 7.77 3.72 1.82 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.55 1.06 0.00 0.00 46 L 8.10 4.02 0.00 1.76 1.79 1.00 1.00 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 47 P 0.00 4.30 0.00 2.28 2.31 0.00 3.61 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 2.28 2.17 0.00 48 L 7.63 4.01 0.00 1.94 1.88 0.95 0.48 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 49 L 8.28 4.01 0.00 1.85 1.87 0.80 0.35 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 50 Y 8.42 3.95 0.00 3.33 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 51 L 7.99 3.99 0.00 1.85 1.97 0.95 0.61 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 52 K 8.14 4.10 0.00 1.98 2.08 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.73 1.67 7.81 53 A 7.71 3.22 0.20 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 54 S 7.21 3.89 0.00 3.84 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 *56 L 7.36 3.92 0.00 1.37 1.35 -0.22 0.82 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 57 P 0.00 4.53 0.00 2.15 2.03 0.00 3.65 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 1.93 2.08 0.00 58 K 8.37 4.06 0.00 1.74 1.77 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.42 7.81 59 C 8.42 5.03 0.00 2.93 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 60 E 8.05 4.60 0.00 2.03 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 2.15 2.28 0.00 *62 I 8.58 4.18 1.97 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 1.65 0.82 0.92 0.00 0.00 63 G 8.06 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 0.00 0.00 0.00 64 D 8.31 4.40 0.00 2.84 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 0.00 0.00 0.00 65 E 8.84 4.12 0.00 1.93 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 2.30 2.34 0.00 66 S 8.49 4.37 0.00 3.93 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 67 P 0.00 4.47 0.00 2.12 2.04 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 68 E 8.59 4.25 0.00 2.01 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 2.39 2.36 0.00 69 T 8.35 4.82 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 1.35 0.00 0.00 70 Y 8.80 4.09 0.00 2.58 2.99 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 71 V 8.53 3.73 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 1.09 0.00 0.00 1.17 0.00 0.00 72 T 8.08 4.55 4.20 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 1.08 0.00 0.00 73 E 8.52 3.95 0.00 2.10 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 2.39 2.48 0.00 74 E 8.10 3.94 0.00 2.11 1.91 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 2.36 2.45 0.00 75 I 7.62 3.70 2.18 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 1.32 0.98 1.20 0.00 0.00 76 Y 8.28 4.02 0.00 3.17 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 77 E 8.75 3.95 0.00 2.11 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 2.83 2.54 0.00 78 V 7.95 3.50 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 0.92 0.00 0.00 0.94 0.00 0.00 79 L 7.63 3.68 0.00 1.49 1.46 0.54 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.66 3.65 0.00 1.44 1.81 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 81 I 7.75 3.62 1.79 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 1.48 0.81 0.85 0.00 0.00 82 N 8.03 4.24 0.00 2.70 2.69 0.00 0.00 7.05 6.81 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 83 L 7.95 3.63 0.00 1.69 1.58 0.86 0.44 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 84 A 8.16 3.97 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 85 S 7.85 4.00 0.00 3.91 3.86 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 0.00 0.00 0.00 86 I 7.22 3.71 1.46 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 1.53 0.22 0.57 0.00 0.00 87 L 7.96 4.03 0.00 1.68 1.82 1.07 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.82 3.41 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 89 E 8.93 4.08 0.00 2.08 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 0.00 2.28 2.40 0.00 90 K 7.96 4.21 0.00 2.08 1.95 0.00 1.61 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.45 7.81 91 D 8.36 4.52 0.00 2.87 2.70 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 92 D 7.96 5.46 0.00 2.63 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.85 4.97 0.00 3.01 2.98 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 94 L 8.52 4.82 0.00 1.45 1.51 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.25 5.02 0.00 1.94 1.76 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 2.02 1.96 0.00 *108 I 7.14 4.04 1.83 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 1.32 0.46 0.90 0.00 0.00 109 K 8.53 4.58 0.00 1.62 1.73 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.43 7.81 110 K 8.57 4.64 0.00 0.79 1.28 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.12 1.35 7.81 111 N 8.36 5.58 0.00 2.64 2.90 0.00 0.00 6.80 7.29 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 0.00 112 I 9.44 3.92 2.16 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.04 1.06 0.00 0.00 113 S 9.09 4.15 0.00 4.10 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 0.00 114 E 8.19 3.99 0.00 2.13 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 2.56 2.60 0.00 115 D 8.22 4.53 0.00 3.12 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 0.00 116 L 8.50 4.25 0.00 1.80 1.90 1.23 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.23 4.00 0.89 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 0.00 118 D 8.71 4.66 0.00 3.10 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 0.00 119 I 8.27 3.87 2.31 0.00 0.00 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 1.77 1.02 0.63 0.00 0.00 120 Y 8.70 4.28 0.00 3.19 3.22 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 0.00 121 Q 8.54 4.07 0.00 2.58 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 122 D 7.80 4.38 0.00 2.84 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 I 7.64 3.57 1.84 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.68 0.84 0.00 0.00 124 K 8.22 3.64 0.00 0.79 1.29 0.00 1.09 0.00 0.00 1.30 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.95 1.04 7.81 125 D 7.86 4.52 0.00 2.84 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 0.00 126 F 8.07 4.40 0.00 3.09 3.25 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 0.00 127 I 7.70 3.13 1.68 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.34 0.66 0.00 0.00 128 F 7.83 4.16 0.00 2.83 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 0.00 129 V 7.47 3.35 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 0.96 0.00 0.00 1.04 0.00 0.00 130 F 8.07 3.84 0.00 2.63 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 0.00 131 Q 7.63 4.12 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 132 L 7.40 4.01 0.00 1.56 1.52 0.47 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 133 G 7.27 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 0.00 134 L 7.36 4.26 0.00 1.66 1.49 0.94 0.49 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 0.00 135 N 8.99 4.17 0.00 2.67 2.84 0.00 0.00 7.25 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 0.00 136 E 8.41 4.14 0.00 2.10 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 2.37 0.00 137 T 7.26 4.42 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 *139 N 8.30 4.69 0.00 2.76 3.07 0.00 0.00 7.07 8.49 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 0.00 140 D 8.26 4.43 0.00 2.86 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 0.00 141 S 8.60 4.26 0.00 4.33 4.32 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 0.00 142 L 8.21 3.60 0.00 2.12 2.04 0.53 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.17 3.97 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 0.00 144 I 8.04 3.67 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.89 0.99 0.00 0.00 145 C 8.18 4.20 0.00 3.04 2.77 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 0.00 146 Q 8.36 3.86 0.00 1.90 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.17 0.00 147 E 8.45 3.90 0.00 2.19 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 0.00 2.32 2.42 0.00 148 N 8.68 4.61 0.00 3.05 3.05 0.00 0.00 6.67 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 0.00 149 F 8.09 3.77 0.00 2.31 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 0.00 150 G 7.30 3.26 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 0.00 151 L 7.65 4.18 0.00 1.69 1.75 1.02 0.81 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 0.00 152 L 8.25 4.68 0.00 1.70 1.67 0.96 1.06 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 0.00 153 W 8.57 4.53 0.00 3.50 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.52 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 0.00 0.00 0.00 155 Q 7.77 3.96 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 156 K 8.06 4.11 0.00 2.24 2.04 0.00 1.92 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.73 7.81 157 L 8.14 4.12 0.00 2.16 2.16 1.41 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 158 V 7.54 3.71 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 0.51 0.00 0.00 0.97 0.00 0.00 159 N 8.42 4.59 0.00 3.01 3.05 0.00 0.00 6.99 6.62 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 0.00 160 T 8.05 4.06 4.48 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 1.30 0.00 0.00 *162 R 8.03 4.11 0.00 1.83 2.06 0.00 3.21 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 163 A 7.79 3.70 0.42 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 0.00 164 L 8.27 3.97 0.00 1.71 1.73 0.94 1.10 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 0.00 165 H 8.18 4.22 0.00 3.29 3.52 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 D 8.23 4.40 0.00 2.92 2.74 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 0.00 167 V 7.54 3.59 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 0.80 0.00 0.00 1.01 0.00 0.00 168 K 7.77 3.87 0.00 1.56 1.46 0.00 1.67 0.00 0.00 1.14 0.00 0.00 2.92 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.30 1.01 7.81 169 Y 7.73 4.49 0.00 2.87 2.91 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 0.00 170 S 7.54 4.22 0.00 3.88 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 0.00 171 P 0.00 4.31 0.00 2.10 2.00 0.00 3.75 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 2.05 2.14 0.00 172 K 8.41 4.28 0.00 1.75 1.79 0.00 1.89 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.37 7.81 173 A 8.50 3.72 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 0.00 174 R 8.05 4.23 0.00 1.83 1.88 0.00 3.25 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 *175 L 8.44 4.18 0.00 1.66 1.45 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.