NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.2524 8.2745 115.2443 62.1526 68.5631 173.1042 *5 S 4.4504 7.7499 116.5891 57.3728 65.4293 173.4022 6 D 4.9990 9.4647 121.5347 51.3312 44.1096 175.3055 7 L 4.8474 8.1434 122.4282 51.6614 45.7228 176.4554 8 I 3.8245 8.2118 122.9631 60.7307 37.6514 174.6048 9 P 4.3715 0.0000 0.0000 62.1750 31.8758 176.0983 10 A 3.5020 8.2913 124.6497 51.0143 18.9846 176.0843 11 P 4.2649 0.0000 0.0000 61.4964 32.3914 174.6862 12 P 4.3431 0.0000 0.0000 62.2349 32.0086 177.8297 13 L 3.7186 8.3729 121.2300 57.4602 41.9310 179.3655 14 S 3.9659 8.1159 112.6177 61.2884 62.1095 174.9153 15 K 4.1415 7.9386 116.4885 56.3153 31.8634 176.5763 16 V 4.1638 7.3927 120.1514 60.0453 32.3365 173.6615 17 P 4.3397 0.0000 0.0000 62.3920 31.9137 174.9468 18 L 4.9342 8.0117 122.7168 52.8226 44.1154 175.6730 19 Q 3.9629 8.9342 127.7590 56.9208 29.3603 176.4669 20 Q 4.0119 8.8755 127.6873 56.5730 29.9116 175.2116 21 N 4.1294 8.7387 123.0721 53.8003 37.4273 174.2779 22 F 4.2578 8.1890 118.4971 59.3826 40.2493 174.8522 23 Q 4.2068 8.9542 128.2278 53.9006 28.9804 176.0540 24 D 4.8621 8.5334 127.7907 55.5912 39.3297 177.8786 25 N 4.4886 8.0042 117.9651 56.2399 37.1710 177.1975 26 Q 4.0434 7.7443 118.5783 57.4257 28.8325 177.4548 27 F 5.0237 7.8545 120.7719 58.6893 39.9194 175.6189 28 Q 4.4435 7.2447 115.0025 56.5171 29.5648 174.2117 29 G 3.5258 8.6041 103.4166 43.8679 0.0000 172.0961 30 K 4.6382 7.9427 120.1618 54.9986 33.5710 177.1918 31 W 5.0891 8.5619 125.8495 55.1761 33.1898 173.8955 32 Y 4.7224 9.0763 122.3732 57.0553 39.5582 175.4012 33 V 4.4652 8.4526 124.2425 62.4262 30.6810 175.8141 34 V 4.1614 8.8722 121.7564 62.0858 32.6491 176.7874 35 G 3.7281 7.5386 106.9960 44.2493 0.0000 171.5139 36 L 5.3430 8.8711 124.5021 53.2982 45.8645 174.7535 37 A 5.3144 8.3656 126.8326 51.0059 23.3415 175.1726 38 G 3.9740 8.0725 107.3979 45.5971 0.0000 173.8182 39 N 4.3391 7.7597 116.5282 54.0172 37.2885 175.5738 40 A 4.7417 7.6421 120.3143 51.8187 20.2516 175.0939 41 I 4.3708 7.5109 119.7304 60.9244 38.5193 174.7805 42 L 5.1223 8.1400 124.2425 52.6475 44.6843 176.4418 43 R 4.0286 8.8383 124.2577 55.7098 30.5282 174.5268 *48 P 4.1661 0.0000 0.0000 62.0014 33.2628 174.4547 49 Q 3.9757 8.6839 120.3000 56.7305 29.5792 176.2135 50 K 4.7572 8.5685 126.1781 55.7614 33.1669 176.9785 51 M 4.3907 8.6073 125.1289 56.2490 32.9887 174.5930 52 Y 5.1994 8.4408 121.7042 55.3290 42.6429 173.3068 53 A 5.2733 9.1383 119.9954 50.5280 23.2316 175.3364 54 T 5.0075 8.8932 115.2606 62.0346 73.1086 173.1646 55 I 4.8046 8.5872 127.3062 59.8282 39.8729 174.3180 56 Y 4.5316 9.2678 126.2383 56.5456 39.3023 174.7194 57 E 4.7674 9.0841 127.8656 54.3792 30.9356 175.0641 58 L 4.2940 8.4523 129.6180 54.8160 42.4983 177.0281 59 K 4.4033 9.1364 127.1840 55.2580 33.1592 178.1939 60 E 3.9824 8.7239 119.7326 59.5863 29.3521 177.8861 61 D 4.6763 8.0350 116.2056 53.0994 39.4419 177.6212 62 K 3.9389 8.1201 117.5349 57.3465 31.1448 176.3954 63 S 4.7147 8.1594 115.5219 58.4127 64.8247 172.4246 64 Y 5.3125 8.8211 118.7784 56.4338 40.6918 174.5578 65 N 4.9680 9.1561 123.3762 52.4904 40.6853 173.6569 66 V 4.4071 8.4745 126.3924 61.1307 34.3032 173.9311 67 T 4.9033 8.4380 122.3522 60.4409 70.3488 172.5691 68 S 5.2783 9.2620 125.0273 57.0745 65.7370 173.2239 69 V 4.8073 9.1190 123.4097 60.9559 34.3051 174.2829 70 L 5.0212 8.4820 127.0998 54.1428 44.2644 175.0258 71 F 5.9035 9.0173 126.8555 57.4894 39.9177 175.6972 72 R 4.1833 8.2263 126.5919 56.2039 33.6304 172.1765 73 K 3.8321 9.2651 125.5826 56.2085 28.5610 172.8457 74 K 4.1571 7.4565 114.1873 55.2414 29.9123 176.4573 75 K 4.8977 7.7893 117.4063 56.0695 36.2571 174.3284 76 C 5.1641 8.7304 117.1418 55.7747 39.2853 173.3243 77 D 4.9671 8.9082 124.9011 52.8166 42.8116 175.1187 78 Y 5.1379 8.7480 122.8285 56.6006 40.4677 175.6313 *79 W 4.6280 9.2031 129.5856 55.8729 31.2493 172.3151 80 I 4.8843 8.0914 124.8008 58.4979 37.7324 171.3655 81 R 4.5799 7.8766 118.1587 56.7734 35.3849 173.7502 82 T 5.0166 8.3212 117.4143 61.9688 71.8148 173.1051 83 F 5.7127 9.2500 125.1469 56.1535 41.3856 174.7484 84 V 4.8397 9.2985 124.8834 60.5273 33.4123 173.3619 85 P 4.4038 0.0000 0.0000 63.5007 31.5912 176.5269 86 G 4.0891 8.1537 114.2477 45.4963 0.0000 173.2508 87 S 4.3481 8.9700 114.6417 61.0748 63.1506 174.5840 88 Q 4.6540 8.2025 120.5161 52.1507 30.9786 173.4638 89 P 4.3145 0.0000 0.0000 64.6986 31.9579 176.9660 90 G 3.0226 8.6663 110.2771 44.4000 0.0000 172.2257 91 E 4.8217 7.3372 119.1846 54.3926 32.7697 175.1319 92 F 5.3718 8.8722 120.7384 56.0937 44.1914 173.4491 93 T 5.0242 9.1937 109.9540 59.7505 72.4035 172.4176 94 L 4.6939 8.4768 124.2223 54.0853 43.2671 176.2070 95 G 3.7913 9.5218 117.0729 46.7731 0.0000 173.0040 96 N 4.3877 8.7553 118.4671 53.8440 36.5084 176.0259 97 I 3.5181 7.5071 120.8460 64.3901 38.0903 177.8342 98 K 4.1903 8.1748 118.1306 58.5729 31.9799 177.3896 99 S 4.4780 8.7562 113.3351 57.9292 63.3714 173.2589 100 Y 4.3914 7.8266 119.7213 55.5633 38.9400 173.5860 101 P 4.4234 0.0000 0.0000 63.7682 32.0804 177.5237 102 G 3.8700 8.8989 109.5742 45.5726 0.0000 172.5931 103 L 4.6414 7.6895 121.9481 54.3025 41.8293 175.6387 104 T 4.4913 8.6606 117.5920 62.9522 70.2949 175.4811 105 S 4.8966 7.9316 116.3814 56.9709 67.5879 172.7559 106 Y 4.9318 8.3847 123.1488 56.5002 41.7637 173.5280 107 L 4.9766 8.6471 128.2473 53.3175 46.2724 174.9716 108 V 4.4962 8.5048 124.1483 60.9791 35.1762 174.2524 109 R 4.6727 8.6385 127.2872 54.5112 33.5116 174.0957 110 V 3.7873 8.7942 128.2260 62.7768 31.6562 176.7842 111 V 4.2119 8.3711 128.5403 65.1361 31.8973 176.0678 112 S 4.7479 8.1026 113.3893 57.7978 66.0415 173.1432 113 T 4.5425 8.5030 118.8791 61.5195 70.4151 172.5971 114 N 4.7962 8.5471 123.4341 52.2080 37.7670 176.6571 115 Y 3.9629 8.0036 122.8703 59.4896 37.5347 170.3912 116 N 4.7902 9.1080 114.4253 52.9391 38.3393 174.3097 117 Q 4.6910 8.0527 116.1448 57.1661 31.4686 174.5887 118 H 5.8396 7.8904 111.8914 54.4420 32.9027 171.0431 119 A 4.9820 8.7605 118.8589 51.1339 23.1150 175.0733 120 M 5.0028 9.6200 121.5029 53.4718 35.0777 175.1749 121 V 4.6968 8.3451 123.0054 60.9557 35.0983 173.7628 122 F 5.4545 9.0358 130.0912 56.8066 41.6418 174.2978 123 F 4.8906 8.4396 123.4020 55.4217 42.8722 173.8361 124 K 4.9294 8.3633 123.9318 54.5285 35.6179 174.9936 125 K 5.0299 9.1414 125.0226 55.4415 36.8803 174.9909 126 V 5.0964 8.8238 121.8150 61.2869 34.1292 174.4854 127 S 5.5801 8.9928 122.2505 56.1529 66.4347 174.2795 128 Q 3.4898 9.2591 121.4763 58.4496 25.9404 173.1339 129 N 4.2852 8.2721 108.1024 53.9831 37.0461 174.3727 130 R 4.3666 8.2102 117.2072 54.4096 31.8243 175.0290 131 E 4.7964 8.3996 123.7830 55.5174 30.0279 174.5340 132 Y 5.0762 9.0306 125.8931 56.6152 40.9923 175.0492 133 F 5.4337 9.2940 116.1960 55.9155 41.8258 173.1280 134 K 4.8545 8.8912 118.4640 56.0661 36.4737 174.4560 135 I 5.4821 9.6705 122.7960 59.8946 41.1732 174.7257 136 T 5.0240 9.0735 115.7310 59.7488 72.3033 172.6658 137 L 4.3891 8.2734 126.2943 53.8093 43.7047 174.4129 138 Y 5.3553 9.0954 125.7171 56.5603 40.0078 175.2046 139 G 4.7016 9.7140 111.2323 44.3893 0.0000 174.1688 140 R 4.0092 10.0876 125.3419 58.2066 30.9453 176.4302 141 T 4.8991 7.9164 107.6349 59.2415 71.5691 174.6385 142 K 3.9095 7.9315 119.9268 57.7410 32.0128 176.7885 143 E 4.7107 7.7181 119.8404 55.6798 33.6478 174.9154 144 L 4.4563 8.6138 120.3157 55.1538 45.2807 176.7060 145 T 4.2371 7.4374 107.4244 60.0637 70.2346 175.5116 *147 E 4.4059 8.4715 111.5079 57.5320 32.4994 174.8130 148 L 4.1372 8.0923 120.3516 58.5928 41.8032 180.6244 149 K 3.9275 8.1634 122.7824 59.2459 31.3326 180.0582 150 E 4.5364 7.9513 116.1422 58.9668 30.4437 177.6303 151 N 4.4419 8.3821 117.1345 56.1846 38.9909 176.9272 152 F 4.3760 9.4896 123.5693 61.2165 39.5069 176.9407 153 I 3.7166 7.8466 119.6345 64.5885 36.8471 178.5741 154 R 4.0499 8.2479 115.7001 58.6738 29.2930 178.0925 155 F 4.4132 7.9754 121.7304 61.1242 39.4321 177.3753 156 S 3.8183 7.9048 114.8409 61.5192 62.6418 176.9001 157 K 4.8103 8.2469 122.6572 58.8334 31.5654 179.1031 158 S 4.3138 7.4602 112.8976 59.7537 62.9986 175.2287 159 L 4.4517 7.4392 122.3135 54.2919 42.3016 177.3287 160 G 3.9413 7.9066 106.8092 45.3528 0.0000 174.2945 161 L 4.3790 7.5042 120.1936 53.1101 42.9553 174.2234 162 P 5.1391 0.0000 0.0000 60.5386 34.1256 175.8485 163 E 3.9037 8.8295 118.2888 59.8470 29.5859 179.5211 164 N 4.3337 8.3227 116.2268 56.3675 39.3750 174.7150 165 H 5.7891 8.4450 115.3844 54.8362 30.0515 174.1994 166 I 5.0205 7.7772 118.6332 59.6401 40.3089 175.3375 167 V 4.4757 9.1659 126.4181 60.9758 35.3863 174.3560 168 F 4.9626 8.6395 124.1177 54.8825 41.0137 173.3226 169 P 4.7620 0.0000 0.0000 62.4922 32.4563 176.4796 170 V 4.1603 8.5874 123.0045 60.0260 32.9133 173.7012 171 P 4.6170 0.0000 0.0000 63.2577 31.8979 175.3534 172 I 4.7327 8.1337 114.9975 59.9262 40.9636 173.9617 173 D 4.7662 8.2010 118.7270 55.4713 42.4198 177.8684 174 Q 3.7737 7.8278 117.1781 57.4250 29.0762 178.8748 175 C 4.1438 8.5813 117.1799 58.4785 39.6196 173.8098 176 I 4.5363 8.6889 111.7978 60.7120 37.7688 175.4165 177 D 4.5133 8.0044 126.3329 55.5933 41.6495 175.5932 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 4 T 8.27 4.25 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 *5 S 7.75 4.45 0.00 3.69 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.46 5.00 0.00 2.63 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.14 4.85 0.00 1.45 1.43 0.38 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.21 3.82 1.89 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.43 1.08 0.00 0.00 9 P 0.00 4.37 0.00 1.99 1.95 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 10 A 8.29 3.50 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 11 P 0.00 4.26 0.00 1.87 1.71 0.00 2.39 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.46 0.00 12 P 0.00 4.34 0.00 2.10 1.92 0.00 3.45 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 13 L 8.37 3.72 0.00 1.62 1.61 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.12 3.97 0.00 3.76 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.94 4.14 0.00 1.74 1.68 0.00 1.59 0.00 0.00 1.49 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.27 7.81 16 V 7.39 4.16 1.58 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 0.36 0.00 0.00 -0.02 0.00 0.00 17 P 0.00 4.34 0.00 2.12 1.89 0.00 3.58 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 18 L 8.01 4.93 0.00 1.50 1.46 0.87 0.68 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 19 Q 8.93 3.96 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.62 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 20 Q 8.88 4.01 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.45 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 21 N 8.74 4.13 0.00 2.83 2.83 0.00 0.00 6.98 7.02 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 22 F 8.19 4.26 0.00 3.06 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 23 Q 8.95 4.21 0.00 1.04 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.56 0.00 0.00 0.00 0.00 0.00 2.29 2.01 0.00 24 D 8.53 4.86 0.00 3.04 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 25 N 8.00 4.49 0.00 2.91 3.09 0.00 0.00 6.30 7.36 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 26 Q 7.74 4.04 0.00 1.29 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.05 0.00 0.00 0.00 0.00 0.00 2.17 2.02 0.00 27 F 7.85 5.02 0.00 3.45 3.49 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 28 Q 7.24 4.44 0.00 2.75 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.79 0.00 0.00 0.00 0.00 0.00 2.68 2.35 0.00 29 G 8.60 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 30 K 7.94 4.64 0.00 1.55 1.37 0.00 1.45 0.00 0.00 0.96 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.74 1.14 7.81 31 W 8.56 5.09 0.00 2.56 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.08 4.72 0.00 2.96 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 33 V 8.45 4.47 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 0.51 0.00 0.00 0.67 0.00 0.00 34 V 8.87 4.16 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 0.82 0.00 0.00 1.04 0.00 0.00 35 G 7.54 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 0.00 0.00 0.00 36 L 8.87 5.34 0.00 1.61 1.45 0.98 0.95 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 37 A 8.37 5.31 1.16 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 0.00 0.00 38 G 8.07 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 39 N 7.76 4.34 0.00 2.71 2.61 0.00 0.00 6.69 7.43 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 40 A 7.64 4.74 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.51 4.37 2.03 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 1.22 1.01 0.89 0.00 0.00 42 L 8.14 5.12 0.00 1.44 1.48 0.91 0.86 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 43 R 8.84 4.03 0.00 1.80 1.88 0.00 3.40 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.92 0.00 *48 P 0.00 4.17 0.00 2.12 2.15 0.00 3.81 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.99 0.00 49 Q 8.68 3.98 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.13 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 50 K 8.57 4.76 0.00 1.77 1.83 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.49 1.60 7.81 51 M 8.61 4.39 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.60 0.00 52 Y 8.44 5.20 0.00 3.27 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 9.14 5.27 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.89 5.01 4.17 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 0.00 0.00 0.00 1.00 0.00 0.00 55 I 8.59 4.80 1.80 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 1.14 0.68 0.86 0.00 0.00 56 Y 9.27 4.53 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 9.08 4.77 0.00 2.23 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 2.26 2.32 0.00 58 L 8.45 4.29 0.00 1.99 1.60 0.91 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 59 K 9.14 4.40 0.00 2.09 1.73 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.68 7.81 60 E 8.72 3.98 0.00 1.96 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 2.32 2.31 0.00 61 D 8.03 4.68 0.00 2.81 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 62 K 8.12 3.94 0.00 2.00 2.08 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.57 7.81 63 S 8.16 4.71 0.00 4.25 3.89 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 64 Y 8.82 5.31 0.00 3.09 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 65 N 9.16 4.97 0.00 2.84 2.70 0.00 0.00 6.27 7.23 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 66 V 8.47 4.41 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 0.14 0.00 0.00 -0.28 0.00 0.00 67 T 8.44 4.90 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 1.16 0.00 0.00 68 S 9.26 5.28 0.00 3.78 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 9.12 4.81 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 0.81 0.00 0.00 1.05 0.00 0.00 70 L 8.48 5.02 0.00 1.69 1.70 0.54 0.63 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 71 F 9.02 5.90 0.00 2.89 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 72 R 8.23 4.18 0.00 1.71 1.70 0.00 3.45 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.17 0.00 73 K 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0.00 3.05 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 82 T 8.32 5.02 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 1.38 0.00 0.00 83 F 9.25 5.71 0.00 3.00 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 84 V 9.30 4.84 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 0.90 0.00 0.00 1.08 0.00 0.00 85 P 0.00 4.40 0.00 2.03 2.04 0.00 3.87 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.49 0.00 86 G 8.15 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 0.00 0.00 0.00 0.00 87 S 8.97 4.35 0.00 3.94 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 88 Q 8.20 4.65 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 6.96 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 89 P 0.00 4.31 0.00 2.18 2.22 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 90 G 8.67 3.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.34 4.82 0.00 1.70 1.59 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 2.02 2.08 0.00 92 F 8.87 5.37 0.00 2.88 3.10 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 0.00 0.00 0.00 0.00 93 T 9.19 5.02 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 1.24 0.00 0.00 94 L 8.48 4.69 0.00 1.45 1.43 0.78 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 95 G 9.52 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 96 N 8.76 4.39 0.00 3.13 3.09 0.00 0.00 6.70 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 97 I 7.51 3.52 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.38 0.98 0.00 0.00 98 K 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0.00 0.00 0.00 0.00 0.00 123 F 8.44 4.89 0.00 2.73 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 0.00 124 K 8.36 4.93 0.00 1.55 1.49 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.48 7.81 125 K 9.14 5.03 0.00 2.04 1.53 0.00 1.37 0.00 0.00 1.70 0.00 0.00 2.68 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.37 1.53 7.81 126 V 8.82 5.10 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 1.05 0.00 0.00 0.97 0.00 0.00 127 S 8.99 5.58 0.00 3.97 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 9.26 3.49 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 129 N 8.27 4.29 0.00 2.84 2.87 0.00 0.00 7.09 7.66 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 0.00 130 R 8.21 4.37 0.00 2.09 1.46 0.00 3.08 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.82 0.00 131 E 8.40 4.80 0.00 1.94 1.82 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 2.27 2.36 0.00 132 Y 9.03 5.08 0.00 2.98 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 0.00 133 F 9.29 5.43 0.00 2.85 3.03 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 0.00 134 K 8.89 4.85 0.00 1.87 1.76 0.00 1.14 0.00 0.00 1.51 0.00 0.00 2.27 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.44 7.81 135 I 9.67 5.48 2.13 0.00 0.00 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 1.66 1.50 1.41 0.00 0.00 136 T 9.07 5.02 4.03 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 1.19 0.00 0.00 137 L 8.27 4.39 0.00 0.27 1.13 0.84 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 9.10 5.36 0.00 2.36 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 0.00 139 G 9.71 4.70 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 0.00 0.00 0.00 140 R 10.09 4.01 0.00 1.98 1.94 0.00 2.24 0.00 0.00 2.86 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.24 0.00 141 T 7.92 4.90 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 1.25 0.00 0.00 142 K 7.93 3.91 0.00 1.47 1.62 0.00 1.44 0.00 0.00 1.46 0.00 0.00 2.80 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.38 0.21 7.81 143 E 7.72 4.71 0.00 1.91 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 2.17 2.33 0.00 144 L 8.61 4.46 0.00 1.60 1.36 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 145 T 7.44 4.24 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 *147 E 8.47 4.41 0.00 1.91 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 2.21 1.91 0.00 148 L 8.09 4.14 0.00 1.70 1.81 0.92 0.83 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 0.00 149 K 8.16 3.93 0.00 1.78 1.83 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.36 7.81 150 E 7.95 4.54 0.00 2.17 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 0.00 2.34 2.43 0.00 151 N 8.38 4.44 0.00 2.81 3.00 0.00 0.00 6.82 7.26 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 0.00 152 F 9.49 4.38 0.00 3.10 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 0.00 153 I 7.85 3.72 2.09 0.00 0.00 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 1.85 1.23 1.02 0.00 0.00 154 R 8.25 4.05 0.00 1.97 2.11 0.00 3.10 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.72 0.00 155 F 7.98 4.41 0.00 3.23 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 0.00 156 S 7.90 3.82 0.00 3.80 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 0.00 157 K 8.25 4.81 0.00 1.77 1.82 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.47 7.81 158 S 7.46 4.31 0.00 3.88 3.91 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 0.00 159 L 7.44 4.45 0.00 1.58 1.54 0.65 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 160 G 7.91 3.94 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 0.00 161 L 7.50 4.38 0.00 1.79 1.54 0.92 0.79 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 0.00 162 P 0.00 5.14 0.00 2.22 2.16 0.00 3.74 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 163 E 8.83 3.90 0.00 2.03 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 2.44 2.32 0.00 164 N 8.32 4.33 0.00 2.74 2.76 0.00 0.00 7.05 7.89 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 0.00 165 H 8.44 5.79 0.00 3.16 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 I 7.78 5.02 2.01 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 1.02 0.73 0.82 0.00 0.00 167 V 9.17 4.48 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 1.07 0.00 0.00 0.92 0.00 0.00 168 F 8.64 4.96 0.00 3.01 3.02 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 0.00 0.00 0.00 0.00 169 P 0.00 4.76 0.00 2.00 2.09 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 170 V 8.59 4.16 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 0.79 0.00 0.00 0.97 0.00 0.00 171 P 0.00 4.62 0.00 1.93 1.99 0.00 3.64 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 172 I 8.13 4.73 2.12 0.00 0.00 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 1.51 0.69 1.07 0.00 0.00 173 D 8.20 4.77 0.00 2.57 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 0.00 174 Q 7.83 3.77 0.00 1.46 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.01 0.00 0.00 0.00 0.00 0.00 1.77 2.17 0.00 175 C 8.58 4.14 0.00 3.07 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 0.00 176 I 8.69 4.54 2.07 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.73 1.08 0.00 0.00 177 D 8.00 4.51 0.00 2.65 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 * Residues marked with a * may have inaccurate shift predictions.