NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 E 4.0355 8.4444 121.4458 55.9320 31.0159 174.8143 16 R 2.7042 7.3622 117.6055 59.1692 31.3148 173.7647 17 E 4.2113 8.7248 113.7823 56.8372 30.8026 177.1192 18 G 3.9637 8.1126 108.7905 44.9211 0.0000 175.6974 19 I 3.6988 8.3231 121.0655 64.3212 36.5115 178.1052 20 L 3.9840 7.9575 121.2177 57.9207 42.0311 178.3563 21 F 4.2644 8.2215 119.7595 62.3290 39.3872 176.6679 22 T 3.8357 8.4566 115.4840 66.6634 67.6925 176.1691 23 T 3.8353 8.3501 118.6103 66.7983 68.7822 175.6272 24 L 4.1101 7.5242 122.8642 57.1732 42.0665 178.0535 25 E 3.9193 8.1410 117.5419 59.5884 29.5617 179.5408 26 K 3.5810 8.3112 119.6548 59.4960 32.4483 178.9395 27 L 4.0099 7.4979 120.6261 57.5585 42.0051 179.0408 28 V 3.5678 8.2647 118.4774 65.8939 31.5154 177.6452 29 A 4.0277 8.7523 121.5846 55.2466 18.0241 179.1952 30 W 4.1895 8.0263 125.0231 60.9443 30.8142 178.0177 31 G 3.8160 8.1412 105.8402 47.6092 0.0000 175.4897 32 R 4.3717 8.7079 123.3069 57.1777 29.9100 178.4948 33 S 3.8888 7.9049 112.3103 61.1045 62.4473 174.6155 34 N 4.7338 8.0851 116.5776 52.7077 39.3566 175.0559 35 S 4.6876 7.4128 114.9018 58.0016 63.8665 173.7210 36 L 4.7634 7.7930 120.7130 54.7272 42.2882 177.0335 37 W 5.3482 9.8348 134.9304 54.3638 31.1236 170.5848 38 P 4.3893 0.0000 0.0000 62.7665 31.1823 176.1121 39 A 4.5665 8.5350 128.1624 49.2428 18.3843 174.2178 40 T 3.8882 7.9625 114.1765 62.0519 68.1288 173.9431 41 F 5.1468 9.1821 129.9087 56.7342 38.6995 173.8841 42 G 3.4538 7.9820 108.0302 46.9307 0.0000 170.6099 43 L 4.4843 9.0583 117.6385 54.2013 43.7834 180.2534 44 A 4.5804 8.2449 133.8536 51.9860 18.7046 180.2090 45 C 3.9640 9.0004 108.9572 63.4327 29.7625 176.1089 46 C 3.9595 8.3903 117.4293 62.6579 27.3796 175.5879 47 A 3.9420 7.6625 120.9279 55.6435 18.1601 179.4765 48 I 3.8878 7.8381 117.8017 64.1558 37.1878 177.7979 49 E 4.1609 8.0917 118.0491 57.7824 30.1070 176.6184 50 M 4.3349 7.9458 115.1805 56.6036 32.0708 177.5975 51 M 4.2109 7.7700 118.7191 57.1046 32.4247 177.1138 52 A 4.4976 7.8932 120.7075 52.3333 18.6523 177.6217 53 S 4.6408 7.5672 110.4737 59.5858 64.1462 175.2314 54 T 4.2660 7.3307 119.2474 62.5017 67.1461 176.0493 55 D 4.6125 7.6497 120.3083 52.7670 41.7391 174.7132 56 A 4.5031 7.9542 133.2968 50.9475 20.9805 175.1036 *74 Q 4.1985 8.2841 113.4238 56.1717 30.0327 174.0219 75 A 5.0405 8.3219 120.2019 50.7460 22.0565 174.7486 76 D 4.8923 8.1888 119.2811 51.8331 43.2313 174.6074 77 V 3.8632 8.5035 116.2937 64.0502 29.0195 169.4110 78 M 4.9779 8.6350 119.2936 53.9398 33.6119 175.8851 79 I 4.5997 8.0301 123.7668 59.8304 39.4853 174.8161 80 V 4.5313 8.7920 128.2343 61.8899 32.7692 174.4684 81 A 4.7073 9.5230 129.8213 50.4573 20.0690 175.5692 82 G 4.1185 8.1624 107.9688 43.6611 0.0000 170.1883 83 R 3.9154 7.7936 117.5222 55.8792 30.1019 176.9643 84 L 4.2146 8.4795 127.6417 53.5005 41.9459 175.7138 85 S 4.4711 8.3154 120.1378 57.9933 63.2456 174.9927 86 K 4.0215 8.2782 123.4999 59.2304 31.7990 179.5206 87 K 4.0826 7.8971 119.0148 59.4509 32.4993 178.0065 88 M 4.2067 8.0144 117.9047 58.5696 32.3681 176.8419 89 A 3.7705 8.1563 119.1770 55.1350 18.4650 177.2293 90 P 4.2053 0.0000 0.0000 65.8944 31.2336 178.9153 91 V 3.5063 7.8252 117.4572 66.1547 31.3471 177.4510 92 M 3.7504 8.2250 116.0325 59.3417 32.0682 177.1182 93 R 3.8909 8.0449 117.6294 59.6323 29.9373 178.1582 94 R 3.8195 8.3654 119.0305 58.8510 30.1474 179.0274 95 V 3.6167 7.5841 116.5320 64.6083 31.4270 177.6830 96 W 4.2905 9.1171 129.6240 60.4446 30.8738 177.5978 97 E 3.6285 8.5258 118.0219 59.0858 29.2012 177.6966 98 Q 4.2318 7.5481 119.2766 56.3941 28.9836 174.6206 99 M 4.7878 7.0934 115.3067 52.2501 36.2890 173.9454 100 P 4.2626 0.0000 0.0000 62.9299 32.1853 176.0942 101 D 4.2479 8.5607 123.3870 56.8683 41.5734 176.4984 102 P 4.1947 0.0000 0.0000 61.5860 28.8519 174.7009 103 K 4.5588 6.8280 119.9415 54.5272 36.8430 175.1715 104 W 5.4359 8.5666 118.5302 55.4289 34.5086 174.3858 105 V 5.2088 8.9079 119.3228 61.0698 34.5245 173.5630 106 I 4.9838 8.5859 128.2436 59.4418 40.6197 174.3812 107 S 4.8340 8.7133 122.0506 57.0063 64.7174 172.8603 108 M 4.3762 9.4882 126.9724 55.3475 32.8094 177.1614 109 G 3.8577 9.0478 117.0956 44.1686 0.0000 172.6484 110 A 3.7599 8.4918 118.2803 55.7826 18.4625 181.1894 111 C 3.6797 8.0036 114.4813 61.7491 29.5816 176.1019 112 A 4.0839 8.0818 122.3514 55.1663 18.4484 179.0673 113 S 4.2398 7.7826 110.2781 61.1572 63.2695 177.1359 114 S 5.0451 7.3560 116.6419 56.8894 65.7260 176.4259 115 G 4.3965 8.0286 103.2814 45.2289 0.0000 174.5536 116 G 3.8875 8.3991 109.0081 47.0040 0.0000 175.1301 117 M 4.3442 8.3298 121.9738 54.6995 31.3817 176.5625 118 F 4.5954 7.7217 119.2458 56.2486 39.2490 173.6772 119 N 4.7263 8.3295 121.9605 52.2499 37.9031 174.2640 120 N 4.8161 8.1838 119.2663 51.7115 39.7148 175.1741 121 Y 4.1349 9.2875 117.0756 60.0859 38.1599 177.9762 122 A 3.6132 7.0909 123.0681 53.9219 18.6935 177.0658 123 I 4.6064 6.8262 114.3382 59.0684 39.9361 175.6770 124 V 3.8721 7.7343 122.2704 62.7442 32.0846 176.7768 125 Q 4.0803 8.6472 124.8843 58.4618 29.1379 175.5456 126 N 5.3755 8.0259 113.1443 53.6374 40.9331 174.5447 127 V 3.0607 8.7912 128.1001 66.2792 31.6023 177.1207 128 D 4.9620 8.6753 116.7214 55.3904 40.9115 176.6529 129 S 4.4499 8.7363 114.5810 60.4232 63.3322 174.3289 130 V 4.1285 8.0033 111.6535 62.2297 33.8229 175.9032 131 V 3.2968 7.0533 112.1272 57.9993 33.2680 173.6903 132 P 4.5175 0.0000 0.0000 63.0090 31.6289 175.7445 133 V 4.1464 9.0634 123.4382 61.5896 32.8501 174.9057 134 D 4.8193 8.8433 126.0931 55.4806 42.7508 177.3915 135 V 4.4027 7.2945 117.8499 61.5510 34.8595 173.5427 136 Y 5.3960 9.0968 125.5286 55.9685 39.9113 175.5234 137 V 4.4916 8.7947 123.2250 58.3588 33.9572 176.0355 138 P 4.7895 0.0000 0.0000 62.6666 29.5862 175.4464 139 G 4.1303 7.6679 108.0384 46.2792 0.0000 172.6540 140 C 5.7650 7.8056 116.0674 58.6598 32.7673 171.1025 141 P 4.8269 0.0000 0.0000 60.0114 33.2471 174.7077 142 P 4.3638 0.0000 0.0000 62.3347 32.0898 176.2878 143 R 3.9419 8.6039 120.5841 56.1334 30.9876 175.2077 144 P 4.2242 0.0000 0.0000 66.3130 31.3592 178.5466 145 E 3.9083 8.4149 116.1505 59.6281 29.2946 179.2817 146 A 3.9867 8.2259 120.8887 55.1959 18.2389 179.3107 147 L 3.9229 7.9012 117.5672 59.0147 42.4550 178.5172 148 I 3.6355 7.9227 118.8377 64.4614 37.0282 177.0796 149 Y 4.0869 8.6134 120.4203 60.9616 38.6819 179.0729 150 A 4.0065 7.9756 121.4894 55.4218 18.3740 180.0870 151 V 3.5320 7.8377 110.7502 64.6103 31.4674 178.5535 152 M 3.8780 7.9292 118.1149 58.5901 31.4993 178.4411 153 Q 3.6398 7.2794 118.0448 58.7412 29.3858 177.5956 154 L 3.9392 7.5785 121.4567 58.3203 42.0523 178.1010 155 Q 3.6479 9.4011 119.1123 59.4682 27.4839 178.3810 156 K 3.9756 8.7116 118.9290 57.9170 32.1613 178.5178 157 K 4.2137 7.4064 119.9832 58.5482 32.6772 178.4148 158 V 3.7371 7.5582 111.5780 64.4795 31.3546 178.6426 159 R 4.1008 7.6684 116.7968 58.9215 30.2771 177.9051 160 G 4.0955 8.1772 105.6666 45.3788 0.0000 174.5378 161 Q 4.3072 7.3477 114.8259 56.7197 28.6346 176.6195 162 A 4.2941 7.4393 121.7195 49.8582 18.9727 173.7978 163 Y 4.7813 7.0791 117.9012 55.5230 40.1539 175.8690 164 N 4.8389 8.8451 118.7389 54.5677 42.3875 174.6856 165 E 3.8330 8.3528 118.3079 57.5554 28.4727 177.1377 166 R 3.8636 8.9588 118.9821 57.9119 31.1788 176.0989 167 G 4.0797 9.0190 104.9602 46.0160 0.0000 173.6018 168 E 4.3614 7.6907 117.9936 54.9520 30.7110 176.2679 169 R 4.2353 8.2948 120.9917 56.0059 30.6475 176.1801 170 L 4.6037 8.5910 123.6044 52.4438 43.0092 174.9932 171 P 4.5765 0.0000 0.0000 62.3714 31.9619 174.5053 172 P 4.7453 0.0000 0.0000 64.1541 32.0442 176.3641 173 V 4.4344 7.6018 110.5002 59.5813 33.9256 174.9563 174 A 4.4048 8.7985 122.5812 53.8170 19.7138 176.2054 175 A 4.1489 8.8174 122.7703 52.5625 18.8153 177.2917 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 15 E 8.44 4.04 0.00 1.87 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 2.13 2.22 0.00 16 R 7.36 2.70 0.00 1.85 1.66 0.00 3.51 0.00 0.00 3.59 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.72 0.00 17 E 8.72 4.21 0.00 2.03 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 2.37 2.36 0.00 18 G 8.11 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 0.00 0.00 0.00 19 I 8.32 3.70 1.89 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 0.54 0.92 0.00 0.00 20 L 7.96 3.98 0.00 1.80 1.69 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.22 4.26 0.00 3.09 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 22 T 8.46 3.84 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 1.23 0.00 0.00 23 T 8.35 3.84 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 24 L 7.52 4.11 0.00 1.96 1.49 0.91 0.79 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 25 E 8.14 3.92 0.00 2.11 1.83 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 2.34 2.26 0.00 26 K 8.31 3.58 0.00 2.07 2.24 0.00 1.23 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.59 7.81 27 L 7.50 4.01 0.00 2.08 1.77 0.75 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.26 3.57 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 0.92 0.00 0.00 29 A 8.75 4.03 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 W 8.03 4.19 0.00 3.51 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 31 G 8.14 3.82 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 0.00 0.00 0.00 32 R 8.71 4.37 0.00 1.92 2.05 0.00 3.51 0.00 0.00 3.39 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.60 0.00 33 S 7.90 3.89 0.00 3.75 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 34 N 8.09 4.73 0.00 2.57 2.73 0.00 0.00 6.99 7.13 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 35 S 7.41 4.69 0.00 3.97 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 0.00 36 L 7.79 4.76 0.00 1.65 1.65 0.65 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 37 W 9.83 5.35 0.00 3.26 3.06 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 38 P 0.00 4.39 0.00 1.78 1.97 0.00 3.51 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.12 0.00 39 A 8.53 4.57 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 40 T 7.96 3.89 4.22 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 1.17 0.00 0.00 41 F 9.18 5.15 0.00 2.99 3.05 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 42 G 7.98 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 0.00 0.00 0.00 43 L 9.06 4.48 0.00 1.28 1.28 0.77 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.24 4.58 1.09 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 45 C 9.00 3.96 0.00 3.11 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 46 C 8.39 3.96 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 47 A 7.66 3.94 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 48 I 7.84 3.89 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.76 0.90 0.00 0.00 49 E 8.09 4.16 0.00 1.90 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 2.29 2.35 0.00 50 M 7.95 4.33 0.00 2.37 2.27 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.52 0.00 51 M 7.77 4.21 0.00 2.11 2.31 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.46 0.00 52 A 7.89 4.50 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 53 S 7.57 4.64 0.00 3.97 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 54 T 7.33 4.27 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 1.17 0.00 0.00 55 D 7.65 4.61 0.00 2.59 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.95 4.50 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 *74 Q 8.28 4.20 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.66 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 75 A 8.32 5.04 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 D 8.19 4.89 0.00 3.24 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 77 V 8.50 3.86 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 1.05 0.00 0.00 1.23 0.00 0.00 78 M 8.63 4.98 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.81 0.00 79 I 8.03 4.60 1.90 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 1.14 0.76 0.93 0.00 0.00 80 V 8.79 4.53 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 1.04 0.00 0.00 81 A 9.52 4.71 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 82 G 8.16 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 0.00 0.00 0.00 83 R 7.79 3.92 0.00 1.62 1.75 0.00 2.40 0.00 0.00 2.90 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 84 L 8.48 4.21 0.00 1.68 1.59 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.32 4.47 0.00 3.84 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 86 K 8.28 4.02 0.00 1.72 1.85 0.00 1.91 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.40 7.81 87 K 7.90 4.08 0.00 1.73 1.82 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.50 7.81 88 M 8.01 4.21 0.00 2.30 2.01 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.61 0.00 89 A 8.16 3.77 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 90 P 0.00 4.21 0.00 2.29 2.37 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.07 0.00 91 V 7.83 3.51 2.38 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 1.04 0.00 0.00 0.97 0.00 0.00 92 M 8.22 3.75 0.00 2.20 2.63 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 2.67 2.69 0.00 93 R 8.04 3.89 0.00 2.00 2.06 0.00 3.45 0.00 0.00 3.29 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 94 R 8.37 3.82 0.00 2.05 2.00 0.00 3.19 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 95 V 7.58 3.62 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 0.56 0.00 0.00 0.82 0.00 0.00 96 W 9.12 4.29 0.00 3.33 3.37 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 97 E 8.53 3.63 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 2.60 2.78 0.00 98 Q 7.55 4.23 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 99 M 7.09 4.79 0.00 1.79 1.63 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.35 0.00 100 P 0.00 4.26 0.00 2.11 2.01 0.00 3.79 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 101 D 8.56 4.25 0.00 2.52 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.19 0.00 2.03 1.93 0.00 3.58 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 1.98 1.98 0.00 103 K 6.83 4.56 0.00 1.61 1.67 0.00 0.82 0.00 0.00 1.21 0.00 0.00 2.23 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.25 7.81 104 W 8.57 5.44 0.00 3.42 3.04 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 0.00 105 V 8.91 5.21 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 1.29 0.00 0.00 1.09 0.00 0.00 106 I 8.59 4.98 1.90 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 1.40 0.62 0.99 0.00 0.00 107 S 8.71 4.83 0.00 3.95 3.92 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 0.00 108 M 9.49 4.38 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 109 G 9.05 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 0.00 0.00 0.00 110 A 8.49 3.76 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 0.00 111 C 8.00 3.68 0.00 3.03 2.95 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 0.00 112 A 8.08 4.08 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 7.78 4.24 0.00 4.08 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.36 5.05 0.00 4.01 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 0.00 115 G 8.03 4.40 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 0.00 0.00 0.00 116 G 8.40 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 0.00 0.00 0.00 117 M 8.33 4.34 0.00 1.79 1.80 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.85 0.00 118 F 7.72 4.60 0.00 3.02 3.21 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 0.00 119 N 8.33 4.73 0.00 2.71 2.83 0.00 0.00 7.02 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 N 8.18 4.82 0.00 2.97 3.01 0.00 0.00 5.89 7.57 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 0.00 121 Y 9.29 4.13 0.00 3.15 3.11 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 0.00 0.00 0.00 0.00 122 A 7.09 3.61 0.66 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 0.00 123 I 6.83 4.61 1.83 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.48 0.92 0.00 0.00 124 V 7.73 3.87 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 0.75 0.00 0.00 0.99 0.00 0.00 125 Q 8.65 4.08 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.61 0.00 0.00 0.00 0.00 0.00 2.46 2.30 0.00 126 N 8.03 5.38 0.00 2.69 2.66 0.00 0.00 7.27 7.71 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 0.00 127 V 8.79 3.06 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 0.91 0.00 0.00 0.94 0.00 0.00 128 D 8.68 4.96 0.00 2.81 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 0.00 129 S 8.74 4.45 0.00 3.86 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.00 4.13 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 0.68 0.00 0.00 0.93 0.00 0.00 131 V 7.05 3.30 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 0.00 0.00 0.44 0.00 0.00 0.75 0.00 0.00 132 P 0.00 4.52 0.00 2.00 1.97 0.00 2.66 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 133 V 9.06 4.15 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.85 0.00 0.00 134 D 8.84 4.82 0.00 2.81 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 0.00 135 V 7.29 4.40 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 1.02 0.00 0.00 0.91 0.00 0.00 136 Y 9.10 5.40 0.00 2.86 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.79 4.49 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.99 0.00 0.00 138 P 0.00 4.79 0.00 2.10 2.20 0.00 3.78 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 2.00 2.00 0.00 139 G 7.67 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 0.00 140 C 7.81 5.76 0.00 2.93 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 0.00 141 P 0.00 4.83 0.00 2.21 2.02 0.00 3.82 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 1.92 1.93 0.00 142 P 0.00 4.36 0.00 2.21 2.20 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 2.00 2.00 0.00 143 R 8.60 3.94 0.00 1.88 2.16 0.00 3.14 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 144 P 0.00 4.22 0.00 2.15 2.12 0.00 3.62 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.40 0.00 145 E 8.41 3.91 0.00 2.04 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 2.41 2.48 0.00 146 A 8.23 3.99 1.40 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 0.00 0.00 147 L 7.90 3.92 0.00 1.61 1.97 0.92 1.14 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 0.00 148 I 7.92 3.64 2.09 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 1.53 0.63 0.93 0.00 0.00 149 Y 8.61 4.09 0.00 3.01 3.12 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 0.00 150 A 7.98 4.01 1.44 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 0.00 0.00 151 V 7.84 3.53 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 0.86 0.00 0.00 0.90 0.00 0.00 152 M 7.93 3.88 0.00 1.80 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 2.77 2.50 0.00 153 Q 7.28 3.64 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 154 L 7.58 3.94 0.00 1.72 1.61 0.49 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 155 Q 9.40 3.65 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.61 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 156 K 8.71 3.98 0.00 1.64 1.71 0.00 1.57 0.00 0.00 1.45 0.00 0.00 2.70 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.31 1.50 7.81 157 K 7.41 4.21 0.00 1.84 1.86 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.43 0.00 0.00 0.00 0.00 1.42 1.49 7.81 158 V 7.56 3.74 1.81 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 -0.24 0.00 0.00 0.74 0.00 0.00 159 R 7.67 4.10 0.00 1.80 2.02 0.00 3.04 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 160 G 8.18 4.10 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 0.00 0.00 0.00 161 Q 7.35 4.31 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.01 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 162 A 7.44 4.29 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 0.00 163 Y 7.08 4.78 0.00 3.41 3.06 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 0.00 164 N 8.85 4.84 0.00 2.70 2.86 0.00 0.00 6.97 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 0.00 165 E 8.35 3.83 0.00 2.01 1.72 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 2.39 2.26 0.00 166 R 8.96 3.86 0.00 1.83 1.99 0.00 3.43 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 167 G 9.02 4.08 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 0.00 0.00 0.00 168 E 7.69 4.36 0.00 2.02 1.92 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 2.28 2.34 0.00 169 R 8.29 4.24 0.00 1.76 1.90 0.00 3.41 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.48 0.00 170 L 8.59 4.60 0.00 1.91 1.68 1.00 1.17 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 0.00 171 P 0.00 4.58 0.00 2.25 2.12 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 172 P 0.00 4.75 0.00 2.26 2.43 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 173 V 7.60 4.43 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 0.62 0.00 0.00 0.94 0.00 0.00 174 A 8.80 4.40 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 0.00 175 A 8.82 4.15 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 * Residues marked with a * may have inaccurate shift predictions.