NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.8543 8.2833 118.0908 53.2540 40.7356 172.6398 3 I 4.8946 8.1548 124.9846 59.1728 39.9296 173.2720 4 N 5.5318 10.2946 126.0683 51.5141 42.6489 173.6544 5 I 4.9665 8.6119 121.8638 59.8122 40.6690 174.8561 6 V 4.5582 9.3105 129.1708 61.6763 32.8008 174.4810 7 T 5.6047 8.8605 122.6510 59.3223 71.2944 172.3821 8 I 4.4039 8.0328 126.4277 60.9055 38.5026 175.3990 9 G 4.4194 8.8550 117.4447 44.7039 0.0000 173.3532 10 K 4.9513 8.5023 124.4435 54.8358 32.2255 176.6368 11 L 4.0869 8.5998 126.9856 55.0477 42.5393 175.7322 12 K 4.1855 8.4495 125.2246 58.5263 33.4294 176.5044 13 E 3.9702 7.8778 126.2104 55.6675 29.5729 178.1328 14 K 4.1288 8.6665 124.9678 58.6533 32.7460 178.4103 15 Y 4.1045 7.8860 119.7596 60.2697 38.2827 177.6589 16 L 3.4462 6.3792 120.6266 56.8411 41.7328 178.9332 17 K 3.7183 7.8930 119.7272 59.6514 31.9826 178.1991 18 Q 4.0224 8.5984 119.9896 59.2727 28.9409 178.7019 19 G 3.6505 8.0580 106.4685 47.9091 0.0000 175.6865 20 I 3.7584 8.2184 122.8840 63.9950 37.2182 178.2537 21 E 3.8990 8.5378 119.7806 59.5965 29.0839 178.9498 22 E 3.8128 8.2805 119.2155 59.5773 29.2596 178.5160 23 Y 3.8019 7.9384 116.4652 60.9102 38.0307 177.6507 24 T 3.9727 8.5817 113.6864 64.0734 67.1077 176.1020 25 K 4.0196 7.6631 120.9629 59.9215 32.7418 178.7574 26 R 4.1283 7.4400 117.8994 58.8477 29.7923 179.1150 27 L 4.1126 7.7335 119.1652 57.6933 41.4945 179.1388 28 S 4.6849 7.8037 113.1530 59.9528 62.8956 175.7300 29 A 4.2324 7.5859 121.1700 53.3839 18.6480 177.2853 30 Y 4.3070 8.4935 113.0650 56.8978 40.4504 176.0055 31 A 4.5124 7.0758 123.9805 51.4764 21.3463 174.8516 32 K 4.6763 7.9247 123.4951 55.7521 33.7346 175.4620 33 I 5.5042 8.2628 119.6875 58.3495 40.5336 174.2813 34 D 5.0118 8.6504 123.3859 52.6523 44.4231 174.5210 35 I 4.8032 8.4395 123.7319 59.9729 38.8774 175.0695 36 I 4.3172 9.1959 129.4036 59.9796 38.7257 174.5545 37 E 5.0126 8.6808 127.0827 54.8574 31.8251 175.1696 38 L 5.1939 8.3474 123.5007 51.8832 45.0037 174.2851 39 P 4.7422 0.0000 0.0000 62.9201 32.1536 175.1408 40 D 4.9712 8.6446 120.7278 51.4660 42.4878 174.2037 41 E 4.5751 8.5929 119.1279 55.6808 29.8813 174.7394 42 K 3.8352 8.1438 124.6272 57.5036 31.6450 176.3686 *53 K 4.3740 7.5597 116.3459 56.8278 34.9534 178.2086 54 I 3.7418 7.6663 113.1584 63.7737 37.1550 177.9081 55 I 3.7470 7.6714 120.2260 63.5758 37.6847 177.5550 56 K 3.9099 7.7947 119.2717 59.7079 32.4419 178.1168 57 D 4.4751 8.1154 119.2225 57.1479 40.7720 178.4764 58 K 3.8555 8.1335 120.2027 59.7537 32.0917 178.5113 59 E 4.2217 8.2690 118.4582 58.4667 29.3797 179.4789 60 G 3.5573 8.0729 106.4347 48.0814 0.0000 175.6793 61 D 4.5833 8.0719 121.5803 56.4547 40.5572 178.8555 62 R 3.8528 7.2417 118.0572 59.4423 30.4899 178.2847 63 I 3.8559 7.7883 119.5674 64.5431 37.1520 178.4786 64 L 4.0633 8.4091 120.3683 57.6097 41.2311 179.0780 65 S 4.4271 8.2278 111.8347 59.4503 63.1838 174.6573 66 K 4.4005 7.8140 120.5779 56.1724 32.9971 175.7091 67 I 4.3125 7.3276 121.0164 59.0260 38.1054 175.6138 68 S 4.2453 8.4891 120.9933 57.4838 62.8211 173.3358 69 P 4.3117 0.0000 0.0000 65.1201 31.2855 176.3281 70 D 4.8051 7.9986 117.3115 53.1412 39.8741 175.3867 71 A 4.9359 7.3550 120.9504 51.1105 21.6448 176.8193 72 H 4.5397 9.3547 122.1138 55.7835 31.1293 174.2709 73 V 4.3646 9.2837 127.6639 61.7726 33.0711 174.6687 74 I 4.7056 8.6698 129.9200 59.6312 38.7797 174.4330 75 A 4.6720 8.7107 130.4419 50.8253 20.3260 176.1358 76 L 4.8630 8.6316 123.7039 54.0623 42.1204 176.3256 77 A 4.7202 9.1104 126.3908 49.6778 21.8528 176.6736 78 I 3.6630 8.7435 121.7451 63.9507 38.1386 176.7600 79 E 4.1390 8.1101 115.7671 57.2780 30.0072 176.3792 80 G 3.8477 7.9527 107.8643 46.1936 0.0000 174.1372 81 K 4.3993 8.6055 120.2315 56.0295 34.5966 176.6108 *83 K 4.5143 8.5112 122.0258 57.7325 33.7746 175.3482 84 T 4.4788 7.7381 110.8869 60.0223 71.0381 175.9824 85 S 4.1349 8.4634 117.5866 61.5368 62.5823 177.0573 86 E 3.9648 8.0088 121.0607 59.4092 29.4719 178.7587 87 E 4.0629 8.1989 118.0452 58.5312 28.8993 178.7656 88 L 4.1289 7.9837 120.3698 57.2850 42.0294 178.3953 89 A 3.9290 7.8622 120.6514 54.7768 18.1483 179.1983 90 D 4.2264 8.1355 116.9173 57.7869 41.2601 178.6381 91 T 3.9119 7.4845 107.9866 64.3568 68.9174 175.8674 92 I 3.9337 7.3903 122.4352 63.9283 37.0648 177.5781 93 D 4.2830 7.7132 118.6316 57.0003 40.9880 178.0179 94 K 3.9991 8.0645 116.7268 57.9031 32.2436 178.4826 95 L 4.3476 7.4912 119.5174 57.0726 41.6484 178.6526 96 A 4.0229 7.5226 121.0760 55.1161 18.3227 178.3342 97 T 4.0749 7.6129 109.3192 64.1302 67.7878 175.2211 98 Y 4.6772 7.6055 117.3615 58.0011 37.6811 175.3608 99 G 3.7956 7.7665 106.4205 46.9012 0.0000 174.8412 100 K 4.4550 8.1012 120.2227 54.3154 32.6818 176.1028 101 S 4.3828 8.4869 118.0211 58.4005 64.2563 174.2211 102 K 4.6047 7.9433 123.3002 54.8809 33.7825 174.6349 103 V 4.8671 8.7891 128.3595 61.3419 34.4859 174.3374 104 T 5.1999 8.7768 123.9324 61.8818 72.0942 172.8472 105 F 5.1228 9.6236 125.3754 56.1319 41.5373 174.9577 106 V 4.8114 8.8555 122.6423 61.2323 34.3138 174.1653 107 I 4.4760 8.6715 129.2474 59.3154 39.3849 175.8994 108 G 4.0565 8.7473 114.7633 45.6545 0.0000 172.7696 109 G 3.9657 8.2149 108.0308 44.7107 0.0000 174.0211 110 S 4.2696 8.6616 112.7141 61.2200 62.6913 176.4044 111 L 4.0293 7.8910 119.6494 58.4573 41.6622 175.9303 112 G 3.8023 6.5394 100.8138 43.8735 0.0000 172.1298 113 L 4.5031 8.0358 119.5710 52.7782 42.7240 176.6870 114 S 4.3290 8.4009 117.3422 58.2357 63.0688 174.6985 115 D 4.2257 7.8948 120.7839 57.5610 40.8513 178.7085 116 T 3.9883 7.8925 115.5409 66.5905 68.8864 176.6986 117 V 3.5131 7.3362 117.8679 63.5733 30.7296 177.5297 *119 K 4.2772 7.9686 118.8854 55.7795 33.7264 177.1015 120 R 3.9961 7.8178 117.7140 57.9840 30.2957 176.6025 121 A 4.0618 7.6151 121.4371 52.5274 18.5907 177.0348 122 D 4.5977 8.4799 122.4461 55.6687 41.6927 176.2412 123 E 4.7361 7.4946 116.8701 55.2120 33.2332 174.0685 124 K 5.0500 8.4319 124.0157 54.6153 35.1561 174.5991 125 L 5.1212 9.4088 128.2257 53.4760 44.3987 174.9397 126 S 5.2590 8.7580 119.6814 56.8314 64.7410 173.6913 127 F 4.4955 9.0651 123.2559 56.8792 40.0854 175.2117 128 S 4.6666 7.2258 114.7246 58.2357 64.5606 175.9285 129 K 4.2103 8.1942 121.2781 56.5285 31.8876 177.7111 *131 T 3.9341 7.6321 113.8616 63.4423 69.8520 173.9970 132 F 5.3615 8.2357 123.4176 54.9753 41.7754 173.6821 133 P 4.5593 0.0000 0.0000 62.3060 32.0285 177.4958 134 H 4.2804 8.6815 117.1827 58.7383 28.6439 176.7064 135 Q 4.1353 8.0449 118.1090 58.9330 28.4065 178.5361 136 L 4.4259 7.3307 120.1746 54.6407 42.0047 178.5869 *138 R 4.1091 8.1391 118.7956 55.9764 32.0802 176.8464 139 L 3.9549 7.2172 118.6969 57.8577 41.9059 178.9529 140 I 3.7051 7.3658 120.0485 63.7611 37.0762 177.9870 141 L 3.7971 7.4409 120.7613 58.1163 41.9819 179.0728 142 V 3.5339 7.5772 118.2094 65.8676 31.4548 177.6013 143 E 3.3125 7.7518 118.6010 59.1888 29.3331 178.8570 144 Q 4.1135 8.2494 118.1429 58.9363 28.7057 178.8020 145 I 3.7555 7.9401 120.9822 64.3646 37.1119 177.6818 146 Y 4.0562 8.0565 120.4038 60.8395 38.5743 178.0025 147 R 3.7571 8.2240 119.2462 59.4391 30.1138 178.1054 148 A 3.8895 8.0851 120.3145 55.2075 18.4134 179.4013 149 F 3.6697 8.0859 116.1211 60.7687 38.7869 177.7516 150 R 3.6054 7.5454 116.9370 59.6709 30.0880 178.2474 151 I 3.8972 7.9284 119.7242 64.2904 36.8612 178.1161 152 N 4.3728 8.3853 116.9673 55.9966 38.5907 176.6124 153 R 4.4727 8.0684 117.9012 55.8292 30.0790 178.8666 154 G 4.0452 7.9816 108.9227 45.9121 0.0000 174.4811 155 E 3.9727 7.8885 121.1564 55.5053 29.8770 174.6382 156 P 4.4515 0.0000 0.0000 62.8331 32.1851 175.6167 157 Y 4.6209 8.5524 122.2514 57.7768 38.9515 174.8718 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 2 N 8.28 4.85 0.00 2.74 2.88 0.00 0.00 6.81 6.37 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 3 I 8.15 4.89 2.04 0.00 0.00 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 1.44 1.15 1.23 0.00 0.00 4 N 10.29 5.53 0.00 2.65 2.73 0.00 0.00 6.34 7.25 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 5 I 8.61 4.97 1.92 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 1.27 1.13 0.95 0.00 0.00 6 V 9.31 4.56 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 0.93 0.00 0.00 0.95 0.00 0.00 7 T 8.86 5.60 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 1.26 0.00 0.00 8 I 8.03 4.40 1.89 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 1.26 0.70 0.94 0.00 0.00 9 G 8.86 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 0.00 0.00 0.00 10 K 8.50 4.95 0.00 1.76 1.78 0.00 1.80 0.00 0.00 2.29 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.37 7.81 11 L 8.60 4.09 0.00 1.58 1.54 0.81 0.65 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 12 K 8.45 4.19 0.00 1.77 1.83 0.00 1.96 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.50 7.81 13 E 7.88 3.97 0.00 1.84 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 2.58 2.60 0.00 14 K 8.67 4.13 0.00 1.99 2.07 0.00 1.52 0.00 0.00 1.89 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.55 7.81 15 Y 7.89 4.10 0.00 3.16 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 16 L 6.38 3.45 0.00 1.41 1.42 0.73 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.89 3.72 0.00 1.91 1.87 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.42 7.81 18 Q 8.60 4.02 0.00 2.25 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 19 G 8.06 3.65 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 0.00 0.00 0.00 20 I 8.22 3.76 1.96 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 1.47 0.71 0.90 0.00 0.00 21 E 8.54 3.90 0.00 2.05 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 2.58 2.45 0.00 22 E 8.28 3.81 0.00 2.03 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 1.90 2.15 0.00 23 Y 7.94 3.80 0.00 3.13 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 24 T 8.58 3.97 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 1.31 0.00 0.00 25 K 7.66 4.02 0.00 1.92 1.92 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.45 7.81 26 R 7.44 4.13 0.00 1.72 2.18 0.00 3.06 0.00 0.00 2.96 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.69 0.00 27 L 7.73 4.11 0.00 1.88 1.66 1.04 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.80 4.68 0.00 4.02 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 29 A 7.59 4.23 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 30 Y 8.49 4.31 0.00 2.15 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 31 A 7.08 4.51 1.22 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 0.00 0.00 32 K 7.92 4.68 0.00 1.82 1.69 0.00 1.69 0.00 0.00 1.88 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.38 7.81 33 I 8.26 5.50 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.79 1.02 0.00 0.00 34 D 8.65 5.01 0.00 2.60 2.58 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 35 I 8.44 4.80 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 1.36 0.56 0.91 0.00 0.00 36 I 9.20 4.32 1.89 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 1.24 0.82 0.92 0.00 0.00 37 E 8.68 5.01 0.00 1.91 1.84 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 2.32 2.32 0.00 38 L 8.35 5.19 0.00 1.57 1.52 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.74 0.00 2.07 2.05 0.00 3.70 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 1.98 1.96 0.00 40 D 8.64 4.97 0.00 2.88 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 41 E 8.59 4.58 0.00 1.97 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 2.24 2.25 0.00 42 K 8.14 3.84 0.00 1.88 1.82 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.47 7.81 *53 K 7.56 4.37 0.00 1.96 2.11 0.00 1.51 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.44 7.81 54 I 7.67 3.74 1.87 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 0.72 0.91 0.00 0.00 55 I 7.67 3.75 1.87 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 1.53 1.19 0.91 0.00 0.00 56 K 7.79 3.91 0.00 1.79 1.99 0.00 1.84 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.65 7.81 57 D 8.12 4.48 0.00 2.75 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 58 K 8.13 3.86 0.00 1.95 1.98 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 59 E 8.27 4.22 0.00 2.27 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 2.57 0.00 60 G 8.07 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 0.00 0.00 0.00 61 D 8.07 4.58 0.00 2.70 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 62 R 7.24 3.85 0.00 2.12 2.09 0.00 3.31 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 63 I 7.79 3.86 2.03 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 1.03 0.92 0.00 0.00 64 L 8.41 4.06 0.00 1.78 1.72 0.92 0.82 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 65 S 8.23 4.43 0.00 4.01 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 66 K 7.81 4.40 0.00 1.94 1.86 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.51 7.81 67 I 7.33 4.31 1.87 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 1.18 0.74 0.90 0.00 0.00 68 S 8.49 4.25 0.00 3.86 3.73 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 69 P 0.00 4.31 0.00 2.21 2.17 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 1.99 1.95 0.00 70 D 8.00 4.81 0.00 2.81 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 71 A 7.35 4.94 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 72 H 9.35 4.54 0.00 3.14 3.17 0.00 5.58 0.00 0.00 0.00 0.00 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 9.28 4.36 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 0.85 0.00 0.00 0.91 0.00 0.00 74 I 8.67 4.71 1.18 0.00 0.00 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 1.01 0.16 1.09 0.00 0.00 75 A 8.71 4.67 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 76 L 8.63 4.86 0.00 1.77 1.73 1.25 0.60 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 77 A 9.11 4.72 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 78 I 8.74 3.66 1.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.68 0.89 0.00 0.00 79 E 8.11 4.14 0.00 2.11 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 2.27 2.30 0.00 80 G 7.95 3.85 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 0.00 0.00 0.00 81 K 8.61 4.40 0.00 1.87 1.74 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.46 7.81 *83 K 8.51 4.51 0.00 1.57 1.75 0.00 1.71 0.00 0.00 1.94 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.42 7.81 84 T 7.74 4.48 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 1.27 0.00 0.00 85 S 8.46 4.13 0.00 3.88 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 86 E 8.01 3.96 0.00 2.03 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 0.00 2.38 2.44 0.00 87 E 8.20 4.06 0.00 2.18 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 2.31 2.29 0.00 88 L 7.98 4.13 0.00 1.72 1.67 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.86 3.93 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 90 D 8.14 4.23 0.00 2.78 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 91 T 7.48 3.91 4.27 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 1.30 0.00 0.00 92 I 7.39 3.93 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.03 0.60 0.00 0.00 93 D 7.71 4.28 0.00 2.94 2.57 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 94 K 8.06 4.00 0.00 1.72 1.65 0.00 1.92 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.63 7.81 95 L 7.49 4.35 0.00 1.98 1.70 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.52 4.02 1.33 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 0.00 0.00 97 T 7.61 4.07 4.09 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 0.75 0.00 0.00 98 Y 7.61 4.68 0.00 3.14 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 99 G 7.77 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 0.00 100 K 8.10 4.45 0.00 1.88 1.77 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.51 7.81 101 S 8.49 4.38 0.00 4.00 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 0.00 102 K 7.94 4.60 0.00 1.86 1.74 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.42 7.81 103 V 8.79 4.87 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 0.70 0.00 0.00 0.96 0.00 0.00 104 T 8.78 5.20 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 1.24 0.00 0.00 105 F 9.62 5.12 0.00 2.96 2.96 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 0.00 106 V 8.86 4.81 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 1.00 0.00 0.00 0.95 0.00 0.00 107 I 8.67 4.48 1.87 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 1.16 0.96 0.91 0.00 0.00 108 G 8.75 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 0.00 0.00 0.00 109 G 8.21 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 0.00 0.00 0.00 110 S 8.66 4.27 0.00 3.91 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 0.00 111 L 7.89 4.03 0.00 1.68 1.71 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 112 G 6.54 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 0.00 113 L 8.04 4.50 0.00 1.65 1.61 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.40 4.33 0.00 4.01 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 0.00 115 D 7.89 4.23 0.00 2.74 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.89 3.99 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 0.00 117 V 7.34 3.51 2.23 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 0.96 0.00 0.00 0.93 0.00 0.00 *119 K 7.97 4.28 0.00 1.96 1.89 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.43 7.81 120 R 7.82 4.00 0.00 1.80 2.16 0.00 3.29 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 1.59 0.00 121 A 7.62 4.06 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 0.00 122 D 8.48 4.60 0.00 2.38 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.49 4.74 0.00 1.97 1.66 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 2.22 2.27 0.00 124 K 8.43 5.05 0.00 1.72 1.69 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.39 7.81 125 L 9.41 5.12 0.00 1.85 1.75 1.18 0.21 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 0.00 126 S 8.76 5.26 0.00 3.98 3.67 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 0.00 0.00 0.00 0.00 127 F 9.07 4.50 0.00 3.06 3.30 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 0.00 128 S 7.23 4.67 0.00 3.90 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 0.00 129 K 8.19 4.21 0.00 1.75 1.76 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.43 7.81 *131 T 7.63 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 1.22 0.00 0.00 132 F 8.24 5.36 0.00 2.97 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 0.00 133 P 0.00 4.56 0.00 2.15 1.93 0.00 3.63 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 134 H 8.68 4.28 0.00 3.20 3.54 0.00 5.74 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 0.00 135 Q 8.04 4.14 0.00 2.18 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 7.32 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 136 L 7.33 4.43 0.00 1.76 1.75 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 *138 R 8.14 4.11 0.00 1.99 1.97 0.00 3.19 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 139 L 7.22 3.95 0.00 1.56 1.69 0.94 0.91 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 0.00 140 I 7.37 3.71 1.59 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.59 0.97 0.00 0.00 141 L 7.44 3.80 0.00 1.39 1.60 0.16 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 142 V 7.58 3.53 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 0.97 0.00 0.00 0.96 0.00 0.00 143 E 7.75 3.31 0.00 1.45 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 0.00 1.62 2.09 0.00 144 Q 8.25 4.11 0.00 2.51 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.72 2.76 0.00 145 I 7.94 3.76 2.08 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 1.32 0.65 1.27 0.00 0.00 146 Y 8.06 4.06 0.00 3.01 3.13 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 0.00 147 R 8.22 3.76 0.00 2.22 2.22 0.00 3.23 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 1.74 2.05 0.00 148 A 8.09 3.89 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 0.00 149 F 8.09 3.67 0.00 2.85 2.45 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 0.00 150 R 7.55 3.61 0.00 1.09 1.80 0.00 3.20 0.00 0.00 2.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.79 0.00 151 I 7.93 3.90 2.02 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 1.54 1.21 0.89 0.00 0.00 152 N 8.39 4.37 0.00 2.73 2.85 0.00 0.00 7.05 7.52 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 0.00 153 R 8.07 4.47 0.00 1.98 2.05 0.00 3.50 0.00 0.00 3.48 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.31 0.00 154 G 7.98 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 0.00 155 E 7.89 3.97 0.00 2.03 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 2.38 2.32 0.00 156 P 0.00 4.45 0.00 2.27 2.08 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 157 Y 8.55 4.62 0.00 2.76 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 * Residues marked with a * may have inaccurate shift predictions.