NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6086 8.3649 120.3294 53.4031 39.6841 172.6927 6 F 3.9986 9.1942 123.7803 57.4216 38.4111 176.4029 7 E 2.9367 8.4266 124.1843 53.4888 33.8754 172.6124 8 E 4.2973 9.1366 127.0758 56.0723 31.8625 173.9430 9 K 4.5500 8.6282 123.9892 55.5262 35.6072 173.5225 10 M 4.9248 8.4557 122.8645 54.1201 33.6291 175.3658 11 I 4.3182 8.5390 125.2386 62.2041 39.1294 175.5970 12 L 4.7655 8.0206 122.7128 53.6451 45.9893 175.4139 13 I 5.2446 8.2831 125.8316 60.3405 40.6921 174.1350 14 R 4.7481 9.7512 123.5579 54.4912 33.6243 174.4330 15 R 4.4113 8.4208 120.0293 53.9796 30.4452 176.2329 16 T 4.3271 7.9877 115.4027 63.4240 69.4165 172.6926 17 A 4.3091 7.3092 117.9506 51.9116 22.7393 176.7381 18 R 4.6233 8.4907 119.8764 54.8469 32.8916 175.1758 19 M 4.5377 8.0562 119.1161 54.2555 34.2717 175.4137 20 Q 4.2598 8.3206 117.2584 55.0539 31.6714 172.8520 21 A 3.6481 8.7988 127.2565 54.6370 18.1633 176.3357 22 G 3.5336 8.6751 113.5662 46.7763 0.0000 173.4995 23 G 3.9319 8.4094 116.4637 44.0852 0.0000 171.1407 24 R 4.5032 8.1111 114.0617 54.2420 31.6526 175.3053 25 R 4.3457 8.1395 122.2864 55.0602 32.3949 176.3498 26 F 4.4517 8.5726 121.3821 58.7153 42.1275 174.7842 27 R 5.3211 7.8659 130.3092 57.4951 33.2310 174.6478 28 F 4.9375 8.9828 126.3069 57.1707 40.8456 175.0811 29 G 4.6726 9.4639 109.3610 44.5023 0.0000 171.7890 30 A 5.4417 9.3422 123.4439 50.0329 22.9838 174.6216 31 L 5.3296 8.8776 125.1369 53.5871 44.1686 175.5005 32 V 4.8481 9.3178 125.5093 61.1347 35.8405 173.8638 33 V 4.8600 8.7625 124.8528 61.0331 34.5024 174.4483 34 V 4.5998 9.1948 127.6584 61.2079 33.5172 174.4321 35 G 5.2386 8.9347 113.9070 43.2783 0.0000 171.6182 36 D 4.6711 8.9587 117.0994 52.2214 41.0728 177.1839 37 R 4.0563 8.3626 117.0214 57.0146 27.1372 176.4423 38 Q 4.4890 10.7000 118.9270 55.4239 30.7602 176.0087 39 G 3.9453 6.5924 112.2798 45.4207 0.0000 172.5314 40 R 4.9656 7.8817 120.6537 54.4638 33.5249 175.1261 41 V 4.8890 8.1209 114.6853 60.4389 36.4216 173.0738 42 G 5.0305 9.2781 110.7034 43.3440 0.0000 170.9374 43 L 5.3585 8.5919 122.5883 52.9936 45.1016 176.0152 44 G 4.3659 9.6715 112.8016 44.8817 0.0000 170.8345 45 F 5.7739 9.3051 127.9852 56.6488 41.3037 174.9655 46 G 4.2672 9.5613 112.6339 44.4791 0.0000 171.3852 47 K 5.1945 8.2275 121.5632 54.7371 35.0524 175.2936 48 A 4.4863 8.5891 121.9983 50.2915 23.1523 175.8418 49 P 4.7662 0.0000 0.0000 62.3757 31.1527 176.1201 50 E 4.4295 8.3722 116.5809 54.1574 33.1844 176.7301 51 V 3.3996 7.5046 124.3434 65.8116 31.6608 176.1338 52 P 4.1597 0.0000 0.0000 66.1660 31.2238 178.4110 53 L 3.9916 7.9255 116.5080 57.7041 41.6189 179.5927 54 A 3.9981 7.8753 120.9482 55.2242 18.3956 179.9001 55 V 3.6649 8.0762 116.9134 66.7315 31.6267 177.0796 56 Q 4.0399 8.3786 117.9100 57.5908 28.2641 178.7233 57 K 3.6107 8.2919 119.2760 60.2573 32.5830 178.1764 58 A 4.2309 8.0718 119.8995 55.6912 18.1820 179.4915 59 G 3.7411 8.3293 101.9124 48.2296 0.0000 174.6003 60 Y 3.9662 7.7379 120.3222 60.8953 39.2355 177.5389 61 Y 4.5802 8.6487 117.6011 61.3991 37.9311 178.0156 62 A 4.0178 9.0356 121.9433 55.7249 18.2012 179.5826 63 R 3.6439 8.3883 116.4164 58.7535 30.6882 177.6214 64 R 4.5450 7.4058 117.4745 54.8193 30.9052 176.2815 65 N 4.3500 6.9646 113.2389 53.5442 43.0164 171.6433 66 M 5.3596 8.3630 129.3364 54.1820 34.9171 174.9332 67 V 4.3337 7.7271 117.7903 62.1203 33.6040 172.3523 68 E 4.4885 8.9745 117.8277 58.0351 29.5926 176.4902 69 V 3.4890 7.2413 122.0706 62.9348 30.2701 175.7504 70 P 4.6230 0.0000 0.0000 60.9966 30.2995 176.2757 71 L 4.2314 7.8018 119.4930 55.2734 41.7952 178.8068 72 Q 4.1678 7.9412 119.5673 55.6092 26.7529 173.0477 73 N 3.9798 8.5482 121.3223 54.0590 36.7151 174.9418 74 G 4.0492 8.3003 115.3704 46.2088 0.0000 170.9842 75 T 5.2025 8.7409 114.2407 59.9952 69.6432 172.8297 76 I 4.5145 7.7988 115.9220 58.1374 39.1198 172.8938 77 P 4.2269 0.0000 0.0000 63.4214 31.2449 175.5761 78 H 5.0202 8.1890 115.1780 52.1735 31.4388 174.7750 79 E 4.2113 8.5495 120.1124 56.6438 30.2277 176.1506 80 I 4.5759 8.0925 114.2173 59.8087 41.2451 173.2131 81 E 5.0697 8.7452 123.8649 54.7659 32.3216 175.5500 82 V 4.4683 8.5998 122.1553 61.4336 35.0558 174.1672 83 E 4.9592 8.9043 126.9240 55.2753 31.1308 176.1951 84 F 4.8176 9.2665 125.1160 57.7354 41.9467 176.3492 85 G 3.6864 8.4249 121.3102 46.7355 0.0000 173.1501 86 A 4.4901 8.9592 126.3493 51.5765 20.1282 177.1702 87 S 4.9268 8.2216 114.0873 56.2052 64.4978 173.2888 88 K 5.1069 8.5379 125.4552 54.5314 35.3702 174.6192 89 I 5.1022 8.6668 125.6085 59.2209 42.1139 173.9600 90 V 4.7936 8.4436 125.1276 61.0890 34.7356 174.2090 91 L 5.3401 8.5396 126.1792 53.0072 45.8324 175.8715 92 K 4.7295 9.3072 121.6730 53.9702 36.0131 174.3445 93 P 5.2579 0.0000 0.0000 62.7436 31.9519 175.3006 94 A 4.8407 8.2089 121.5432 50.0622 22.3839 175.9510 95 A 4.1479 8.5071 121.6469 51.1249 19.2123 175.8608 96 P 5.2626 0.0000 0.0000 63.1155 31.9284 176.2206 97 G 4.1461 8.9337 107.8578 46.1473 0.0000 175.1150 98 T 3.7973 7.1914 114.5483 64.9435 68.9854 175.3144 99 G 3.6783 8.9892 109.6652 44.4217 0.0000 171.5735 100 V 4.1800 8.1150 119.6562 61.2016 32.8548 176.4388 101 I 4.3287 8.1407 122.4587 59.7049 37.9153 174.5846 102 A 5.4713 7.6714 128.1579 48.7659 22.8921 179.3411 103 G 4.1324 9.2572 107.4392 45.5328 0.0000 173.6205 104 A 4.4661 9.0488 125.2139 53.0807 20.8064 179.4976 105 V 3.5634 7.8707 114.7591 65.6082 31.5416 176.3099 106 P 4.2776 0.0000 0.0000 65.6205 31.0325 178.4307 107 R 3.7884 7.9411 117.8592 59.4095 29.9757 177.8591 108 A 4.0892 7.6326 119.0227 56.2632 18.6164 178.5098 109 I 3.9015 7.7928 117.8886 62.1380 36.9730 177.9707 110 L 3.9215 7.8902 121.4998 58.3020 41.9361 179.6165 111 E 3.9320 8.6595 119.5377 59.2943 29.7475 178.2275 112 L 4.3976 7.7737 115.7783 55.5560 41.5974 178.4576 113 A 4.2915 7.6665 122.4853 53.3506 18.8795 178.7282 114 G 4.1512 7.5708 105.3830 45.7436 0.0000 173.5034 115 V 4.3710 7.9884 119.3105 61.6333 32.7883 175.4062 116 T 4.3538 9.6014 122.8473 64.4116 70.5808 173.8331 117 D 5.4741 7.8269 122.3920 51.5652 42.9273 174.8621 118 I 4.7728 8.0820 122.5988 59.0861 42.5782 173.2384 119 L 5.0272 9.2274 126.6643 53.1629 44.3442 175.8498 120 T 5.6828 8.3996 112.1785 59.4817 73.2697 172.7559 121 K 4.6350 8.2345 121.1937 55.6738 35.8147 173.8594 122 E 4.7485 8.8028 126.9873 55.4904 31.1340 175.1625 123 L 4.6551 8.7069 123.4739 54.0837 45.1254 177.5268 124 G 3.6216 8.4617 108.7013 46.2155 0.0000 174.4115 125 S 3.4779 7.5557 109.0909 59.0447 59.7777 172.4949 126 R 4.3750 8.2884 128.0065 55.8645 30.2858 176.5919 127 N 4.0625 7.6664 116.8830 54.4475 39.5022 172.3736 128 P 4.0214 0.0000 0.0000 66.0601 31.2356 178.3480 129 I 3.0820 7.1752 117.6984 64.3056 37.3181 177.5717 130 N 4.7423 7.8695 116.1927 55.7500 39.0511 177.3148 131 I 3.9263 8.3128 120.6544 64.0890 36.9894 177.2122 132 A 4.2265 8.3411 123.3308 53.9743 18.5040 178.6042 133 Y 4.2156 7.7766 114.3676 60.7528 38.1311 179.5879 134 A 3.7397 8.5527 121.9828 55.3584 18.4815 179.5319 135 T 3.7791 7.4601 114.3371 67.7945 68.5878 175.8256 136 M 3.8793 8.3497 119.6288 58.6368 31.8952 178.5310 137 E 3.8116 8.2448 117.1522 60.0316 29.7057 179.2359 138 A 3.9270 7.7494 119.0544 55.3210 18.5973 179.0589 139 L 3.9578 7.9371 115.5566 58.0948 41.7117 179.8285 140 R 3.9037 7.7484 117.3429 59.8223 30.0526 177.9538 141 Q 4.3882 7.7859 114.4170 55.4090 29.2734 176.1113 142 L 4.5438 7.6244 120.5927 54.5145 42.5962 176.7951 143 R 4.6685 8.3009 119.4241 54.7997 34.4349 174.7961 144 T 4.6019 8.8888 111.7057 59.3626 71.2604 175.5652 145 K 3.7667 8.6656 121.4327 59.6220 32.4976 178.4255 146 A 4.1998 7.5698 121.1680 53.5635 17.6258 177.9911 147 D 4.3953 8.4671 120.1170 54.1908 40.2742 178.0936 148 V 3.9500 7.5715 119.6768 65.5018 31.8121 177.3646 149 E 3.9470 8.7027 118.8404 59.1822 29.6656 178.5183 150 R 4.0288 8.2793 119.6596 59.7376 30.0833 178.5226 151 L 4.3518 7.5078 113.7998 55.2054 40.9110 177.8210 152 R 4.6717 7.9272 116.2175 55.6369 31.3604 176.9055 153 K 3.5434 8.0190 115.5423 57.0361 32.2731 175.0046 154 G 2.8998 8.3318 115.6301 46.2106 0.0000 173.8042 *155 E 4.1319 7.9581 121.6602 55.8122 30.4399 177.8009 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 5 D 8.36 4.61 0.00 2.82 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 0.00 6 F 9.19 4.00 0.00 2.94 3.35 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 7 E 8.43 2.94 0.00 2.03 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 0.00 2.30 2.36 0.00 8 E 9.14 4.30 0.00 2.38 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 2.23 2.42 0.00 9 K 8.63 4.55 0.00 1.81 1.59 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.39 7.81 10 M 8.46 4.92 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.64 0.00 11 I 8.54 4.32 1.84 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 1.23 0.72 0.89 0.00 0.00 12 L 8.02 4.77 0.00 1.64 1.39 0.75 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.28 5.24 1.93 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.94 1.01 0.00 0.00 14 R 9.75 4.75 0.00 1.82 2.03 0.00 2.76 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 15 R 8.42 4.41 0.00 1.45 1.65 0.00 2.21 0.00 0.00 2.75 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.00 16 T 7.99 4.33 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 1.28 0.00 0.00 17 A 7.31 4.31 1.05 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 18 R 8.49 4.62 0.00 1.77 1.96 0.00 2.72 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 19 M 8.06 4.54 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 20 Q 8.32 4.26 0.00 1.91 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.10 2.20 0.00 21 A 8.80 3.65 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 22 G 8.68 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.41 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.11 4.50 0.00 1.56 1.73 0.00 2.96 0.00 0.00 2.93 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.29 0.00 25 R 8.14 4.35 0.00 1.65 1.85 0.00 3.09 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 26 F 8.57 4.45 0.00 2.70 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 27 R 7.87 5.32 0.00 2.00 1.87 0.00 3.18 0.00 0.00 3.35 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 28 F 8.98 4.94 0.00 3.02 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 29 G 9.46 4.67 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 0.00 0.00 0.00 30 A 9.34 5.44 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 31 L 8.88 5.33 0.00 1.43 1.46 0.86 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 32 V 9.32 4.85 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 0.80 0.00 0.00 1.01 0.00 0.00 33 V 8.76 4.86 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 0.94 0.00 0.00 0.95 0.00 0.00 34 V 9.19 4.60 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 0.48 0.00 0.00 0.96 0.00 0.00 35 G 8.93 5.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.96 4.67 0.00 2.72 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 37 R 8.36 4.06 0.00 2.02 2.14 0.00 3.17 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 38 Q 10.70 4.49 0.00 2.41 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.21 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 39 G 6.59 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 40 R 7.88 4.97 0.00 2.14 1.91 0.00 3.26 0.00 0.00 3.60 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 41 V 8.12 4.89 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 0.73 0.00 0.00 0.94 0.00 0.00 42 G 9.28 5.03 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 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.59 5.36 0.00 1.67 1.62 1.03 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.67 4.37 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 0.00 45 F 9.31 5.77 0.00 3.01 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 46 G 9.56 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 0.00 0.00 0.00 0.00 47 K 8.23 5.19 0.00 1.51 1.65 0.00 1.26 0.00 0.00 1.50 0.00 0.00 2.64 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.00 7.81 48 A 8.59 4.49 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 49 P 0.00 4.77 0.00 2.10 2.16 0.00 3.74 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 50 E 8.37 4.43 0.00 1.89 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 2.03 2.05 0.00 51 V 7.50 3.40 1.90 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 1.02 0.00 0.00 0.29 0.00 0.00 52 P 0.00 4.16 0.00 2.13 2.05 0.00 3.58 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 53 L 7.93 3.99 0.00 1.70 1.70 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.88 4.00 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 55 V 8.08 3.66 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 1.05 0.00 0.00 1.02 0.00 0.00 56 Q 8.38 4.04 0.00 2.20 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.39 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 57 K 8.29 3.61 0.00 1.81 1.86 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.25 1.60 7.81 58 A 8.07 4.23 1.55 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 0.00 0.00 59 G 8.33 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 60 Y 7.74 3.97 0.00 2.89 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 61 Y 8.65 4.58 0.00 3.25 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 62 A 9.04 4.02 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 63 R 8.39 3.64 0.00 1.60 1.88 0.00 3.09 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.89 0.00 64 R 7.41 4.54 0.00 1.86 2.09 0.00 3.40 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 65 N 6.96 4.35 0.00 2.75 2.76 0.00 0.00 7.03 8.91 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 66 M 8.36 5.36 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 67 V 7.73 4.33 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 0.76 0.00 0.00 0.98 0.00 0.00 68 E 8.97 4.49 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 69 V 7.24 3.49 2.16 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 0.78 0.00 0.00 1.03 0.00 0.00 70 P 0.00 4.62 0.00 2.09 2.06 0.00 3.78 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 2.39 0.00 71 L 7.80 4.23 0.00 1.64 1.70 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.94 4.17 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.30 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 73 N 8.55 3.98 0.00 2.93 2.83 0.00 0.00 6.94 8.28 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 74 G 8.30 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 75 T 8.74 5.20 4.41 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 1.22 0.00 0.00 76 I 7.80 4.51 1.89 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 1.48 0.79 0.92 0.00 0.00 77 P 0.00 4.23 0.00 2.33 2.04 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 78 H 8.19 5.02 0.00 3.27 3.26 0.00 5.53 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.55 4.21 0.00 2.06 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 2.28 2.37 0.00 80 I 8.09 4.58 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 1.16 0.53 0.65 0.00 0.00 81 E 8.75 5.07 0.00 1.85 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 2.20 2.26 0.00 82 V 8.60 4.47 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 0.99 0.00 0.00 0.92 0.00 0.00 83 E 8.90 4.96 0.00 2.04 1.90 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 2.28 2.31 0.00 84 F 9.27 4.82 0.00 2.92 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 85 G 8.42 3.69 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 0.00 0.00 0.00 86 A 8.96 4.49 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.22 4.93 0.00 4.02 3.87 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 88 K 8.54 5.11 0.00 1.85 1.81 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.36 7.81 89 I 8.67 5.10 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 1.11 1.32 0.97 0.00 0.00 90 V 8.44 4.79 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.97 0.00 0.00 91 L 8.54 5.34 0.00 1.52 1.48 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.31 4.73 0.00 1.59 1.65 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.37 7.81 93 P 0.00 5.26 0.00 2.08 2.29 0.00 3.33 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 94 A 8.21 4.84 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.51 4.15 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 96 P 0.00 5.26 0.00 2.05 2.01 0.00 3.73 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 97 G 8.93 4.15 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 0.00 98 T 7.19 3.80 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 99 G 8.99 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.12 4.18 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 0.87 0.00 0.00 0.98 0.00 0.00 101 I 8.14 4.33 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 1.16 0.85 0.91 0.00 0.00 102 A 7.67 5.47 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 9.26 4.13 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 0.00 0.00 0.00 104 A 9.05 4.47 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 0.00 105 V 7.87 3.56 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 1.05 0.00 0.00 0.88 0.00 0.00 106 P 0.00 4.28 0.00 2.29 2.29 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 107 R 7.94 3.79 0.00 1.90 2.15 0.00 3.21 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 108 A 7.63 4.09 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 0.00 109 I 7.79 3.90 2.01 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 1.08 0.91 0.00 0.00 110 L 7.89 3.92 0.00 1.65 1.76 0.92 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.66 3.93 0.00 2.21 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 2.32 2.35 0.00 112 L 7.77 4.40 0.00 1.79 1.72 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.67 4.29 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 0.00 0.00 0.00 0.00 0.00 114 G 7.57 4.15 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 0.00 115 V 7.99 4.37 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 0.89 0.00 0.00 0.97 0.00 0.00 116 T 9.60 4.35 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 1.21 0.00 0.00 117 D 7.83 5.47 0.00 2.55 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 0.00 118 I 8.08 4.77 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 1.34 1.35 0.91 0.00 0.00 119 L 9.23 5.03 0.00 1.73 1.52 0.92 0.77 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 0.00 120 T 8.40 5.68 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 0.00 121 K 8.23 4.63 0.00 1.86 1.64 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.51 7.81 122 E 8.80 4.75 0.00 1.96 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 2.35 2.33 0.00 123 L 8.71 4.66 0.00 1.55 1.53 0.92 0.77 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 0.00 124 G 8.46 3.62 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 0.00 0.00 0.00 125 S 7.56 3.48 0.00 3.92 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 0.00 126 R 8.29 4.38 0.00 1.83 1.92 0.00 3.29 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 127 N 7.67 4.06 0.00 2.74 2.72 0.00 0.00 7.17 7.59 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 0.00 128 P 0.00 4.02 0.00 2.06 1.91 0.00 3.61 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 129 I 7.18 3.08 1.75 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.42 0.49 0.00 0.00 130 N 7.87 4.74 0.00 2.78 3.08 0.00 0.00 7.16 7.32 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 0.00 131 I 8.31 3.93 2.01 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 1.57 1.40 0.95 0.00 0.00 132 A 8.34 4.23 1.14 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 0.00 0.00 133 Y 7.78 4.22 0.00 2.49 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 0.00 0.00 0.00 0.00 134 A 8.55 3.74 1.45 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 0.00 0.00 135 T 7.46 3.78 4.38 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 1.20 0.00 0.00 136 M 8.35 3.88 0.00 1.97 2.18 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.80 0.00 137 E 8.24 3.81 0.00 2.08 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 2.18 2.43 0.00 138 A 7.75 3.93 1.32 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 0.00 139 L 7.94 3.96 0.00 1.84 1.76 0.92 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.75 3.90 0.00 1.78 2.17 0.00 3.47 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 141 Q 7.79 4.39 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.79 0.00 142 L 7.62 4.54 0.00 1.69 1.64 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.30 4.67 0.00 1.62 1.72 0.00 3.34 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 144 T 8.89 4.60 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 1.21 0.00 0.00 145 K 8.67 3.77 0.00 1.79 1.93 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.41 7.81 146 A 7.57 4.20 1.23 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 0.00 0.00 147 D 8.47 4.40 0.00 2.83 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 0.00 148 V 7.57 3.95 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 1.02 0.00 0.00 0.87 0.00 0.00 149 E 8.70 3.95 0.00 1.95 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 2.54 2.41 0.00 150 R 8.28 4.03 0.00 1.92 2.01 0.00 3.09 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 151 L 7.51 4.35 0.00 1.62 1.67 0.92 0.99 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 0.00 152 R 7.93 4.67 0.00 1.89 1.85 0.00 3.19 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 153 K 8.02 3.54 0.00 1.74 1.71 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.71 1.41 7.81 154 G 8.33 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 E 7.96 4.13 0.00 1.75 1.78 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.