NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2971 8.3049 120.3381 55.0301 34.0431 175.4500 2 I 3.8370 7.4792 119.6394 58.9943 37.7976 173.0624 3 S 4.8303 8.9600 121.7068 56.6751 65.2436 172.2896 4 Y 4.9720 8.6960 123.8555 56.4739 40.8274 174.4785 5 E 5.1339 8.6286 118.7859 55.9056 32.9352 174.0927 6 F 4.6857 8.7146 121.7231 57.2852 43.4581 172.4074 7 Q 5.0687 8.0216 126.8059 54.9235 31.4908 174.1382 8 T 4.5318 8.8415 120.9767 61.8327 70.9915 171.3618 9 H 5.4512 8.8989 115.5992 53.8730 32.6256 173.6853 10 L 3.7590 8.6464 122.3206 53.9321 41.9982 175.6288 11 P 4.1241 0.0000 0.0000 62.9359 31.8542 176.1551 12 K 4.0041 8.2805 118.1652 57.7324 33.8535 176.2788 *23 E 3.9788 7.9230 117.4142 55.9352 29.6249 174.7654 24 N 4.6056 8.5283 122.1826 52.3098 39.4837 175.5381 25 K 4.2841 8.4482 123.1445 56.1496 33.7758 176.1460 26 E 4.3735 8.8153 124.1108 56.1702 30.9179 175.1841 27 L 5.1231 8.9208 127.2566 53.4828 44.6315 174.2214 28 Y 5.2291 9.1375 127.4911 55.8254 41.7335 174.0609 29 V 4.7852 8.4164 126.7242 61.1793 34.6458 173.9968 30 Q 4.9964 8.7113 126.7383 54.7170 33.1292 173.1051 31 A 5.2984 9.4198 126.0864 50.7774 23.1708 174.9263 32 T 4.7755 9.0061 118.6522 62.0303 71.4080 172.9874 33 H 5.1086 8.6336 122.7421 54.1953 30.8134 173.9851 34 F 5.0111 8.8254 120.8655 55.3287 42.5417 175.0219 35 N 4.5718 9.0118 118.3613 55.7694 38.4202 176.1798 36 N 4.7000 8.0138 113.5817 53.8385 38.8886 174.0419 37 T 4.5839 7.4425 111.6631 61.2845 71.2605 171.7143 38 I 4.8465 7.8759 125.1356 59.2567 40.3719 174.6921 39 L 4.9352 9.2118 129.0462 53.5495 43.8070 174.4974 40 L 5.1649 8.9595 129.7049 53.4792 44.5588 174.8132 41 Q 5.1555 9.6056 125.8969 54.4338 31.5285 174.7989 42 I 4.7863 9.1561 124.3040 59.8421 40.1171 174.2480 43 R 5.1427 9.4661 126.8964 54.2214 33.0160 175.3048 44 L 4.8657 8.4910 124.9781 53.5316 44.3271 176.1045 45 N 4.2399 10.0591 126.0115 54.3490 36.7482 175.8502 46 G 3.9836 8.4515 105.2199 45.5555 0.0000 174.2807 47 E 4.3832 7.9064 119.6815 56.0455 30.5952 175.5110 48 M 4.8569 8.0800 119.2329 55.0760 34.8222 173.8169 49 D 4.9301 8.7906 122.9721 52.8108 41.5188 175.1294 50 S 4.8428 8.5737 115.1905 57.3613 67.7673 173.0990 51 T 5.0143 8.1817 117.7856 62.3947 73.1053 172.6849 52 Y 5.1971 9.1665 122.9489 56.1779 42.6379 173.8123 53 E 4.9609 9.5525 124.4796 54.6444 31.8827 174.5374 54 V 5.0509 9.1391 128.0664 61.2800 33.6908 174.4363 55 S 5.4698 9.0845 122.6006 56.3143 66.6160 173.5138 56 S 4.3502 8.5029 116.3780 58.0715 63.7962 174.2019 57 K 3.8875 8.6364 123.4829 56.1494 31.4276 178.4972 58 G 3.7433 8.8671 118.7356 45.9696 0.0000 171.4821 59 L 4.3727 7.8689 123.3159 54.4193 43.2792 174.3639 *80 Y 4.3237 8.0001 120.1658 57.5594 39.5213 172.2300 81 D 5.0541 7.8639 119.4204 51.4000 42.5462 173.9812 82 D 4.8669 8.2009 116.8531 51.0796 42.3974 175.5852 83 E 4.4225 8.6057 117.8541 57.2685 30.2906 177.9877 84 E 4.1380 7.9008 120.5525 59.2776 29.5871 178.6571 85 E 4.2901 8.4472 117.6746 58.9457 29.8190 178.6279 86 E 4.1001 8.1946 118.2421 58.6056 29.9504 178.3208 87 F 3.9283 8.2014 121.7617 61.2026 39.4600 177.0108 88 V 3.6686 8.4264 118.0671 66.3713 31.1073 178.0340 89 R 3.9106 7.7038 116.5872 59.3597 30.0542 177.6249 90 D 4.4746 8.3559 116.8560 55.8585 40.9365 176.3714 91 H 4.5513 7.3800 114.0616 54.6305 30.4650 173.1615 92 L 4.1042 8.0045 123.0333 54.9167 41.5042 176.7546 93 S 4.4077 8.2874 121.3645 56.1329 63.1455 172.1742 94 D 5.0045 7.7737 127.8217 53.7286 43.2722 174.6096 95 Y 5.1816 8.4783 117.9694 56.3095 42.4650 174.3728 96 Q 4.5316 9.4367 123.0581 54.7267 30.9837 174.3297 97 V 4.7811 8.4996 126.9110 61.4387 33.1470 174.6402 98 V 4.4545 8.9466 129.0770 61.3652 34.1701 174.5608 99 T 4.5695 8.6465 124.8529 63.4811 68.8440 175.2140 100 K 4.2722 8.9335 126.9250 57.6023 33.7580 177.2153 101 L 4.2448 7.5028 121.0149 55.2467 45.5125 175.6098 102 G 3.6519 8.6922 111.9652 44.0320 0.0000 171.3029 103 D 4.4759 8.5505 119.3543 54.3962 41.4962 176.8847 104 S 5.0839 9.0131 119.4739 57.5754 63.3696 174.0043 105 A 4.6363 8.0145 123.2142 51.9587 19.5874 176.1832 106 D 4.7052 8.2211 120.9010 53.5657 41.7506 175.1832 107 P 4.3007 0.0000 0.0000 65.4829 31.7721 177.6575 108 K 4.0219 8.0556 117.6755 58.2161 32.6258 179.3701 109 V 3.0975 7.5733 119.0746 65.2348 31.5200 176.1905 110 P 4.3117 0.0000 0.0000 65.5230 30.9083 178.7928 111 V 3.4739 7.4306 112.1402 64.2562 31.5625 178.2521 112 V 3.2313 7.1349 117.4982 66.1535 31.2131 177.7231 113 C 3.9742 8.0812 116.7213 62.9100 27.9766 176.4426 114 V 3.2090 7.5352 119.4879 65.8344 31.0267 178.1702 115 Q 3.9453 7.9159 117.8581 58.8320 28.5598 178.6665 116 I 3.6844 7.9843 120.9123 64.2692 37.2042 178.1554 117 A 4.1734 8.1586 121.9248 55.5024 18.0488 179.6084 118 E 3.8234 8.4268 117.2291 59.1280 29.4662 179.2725 119 L 3.8256 8.0090 120.5353 58.3833 42.0609 178.5823 120 Y 3.8944 7.9860 116.4255 61.1772 37.6518 179.1037 121 R 3.8190 7.6676 117.2914 59.2814 30.2812 178.8318 122 R 4.2176 7.9976 115.9608 57.5764 30.5002 176.9759 123 V 4.1389 7.3968 113.9118 64.3710 33.5748 177.1539 124 I 4.0409 7.7266 119.4336 63.0883 37.2579 176.6800 125 L 4.4126 7.8080 122.5539 52.8518 41.3330 174.5538 126 P 4.8862 0.0000 0.0000 61.3300 33.1462 174.7506 127 E 4.0996 8.3733 117.3780 56.7716 29.3858 176.6703 *138 Q 4.0323 7.9818 116.6640 56.3062 28.9484 174.2980 139 F 4.4549 8.1983 121.2532 57.4304 42.6927 172.3394 140 S 4.7058 7.5633 120.4489 56.4634 66.3378 172.1953 141 L 4.5483 8.7158 127.8989 53.2786 45.5328 174.2643 142 L 4.9988 8.7830 128.8515 53.5465 44.1472 174.8379 143 I 4.9938 9.0570 127.6751 59.7842 40.1342 174.5563 144 S 5.3972 9.1721 124.5349 57.0360 65.1212 173.4557 145 M 5.9171 8.9743 120.8707 53.9463 35.4803 173.6460 146 S 4.9945 8.7066 114.8114 57.6230 63.0845 175.0931 147 S 4.5349 9.7694 122.9558 60.9347 62.9232 176.0123 148 K 4.2969 7.7216 118.7659 57.6973 32.0766 178.1416 149 I 3.4677 7.3336 119.8106 62.8187 36.9658 175.7510 150 W 4.8350 7.2116 119.1482 54.9182 31.3349 175.9427 *157 S 4.3648 8.3800 111.2920 57.9779 63.7484 174.6597 158 A 4.1254 7.9589 124.1359 54.8226 18.4644 178.0043 159 D 4.6401 7.9307 114.8908 54.7318 41.4650 174.4682 160 D 4.7586 8.2582 116.7527 55.0456 43.7669 177.1322 161 N 4.9076 7.4279 114.0056 51.4045 39.9434 175.3098 162 D 4.5956 8.0609 121.7729 56.4822 40.1097 177.9218 163 F 4.2906 8.3535 121.8623 61.0308 39.6134 177.2843 164 G 3.6737 8.2611 104.9779 47.8006 0.0000 175.4177 165 K 4.0704 8.2205 122.2154 58.9315 32.1746 178.7218 166 L 4.2091 8.1925 120.7748 58.2887 41.9752 179.1413 167 V 3.3935 7.8300 118.5349 65.7722 31.3885 177.7020 168 F 4.0632 8.2925 120.3919 61.3253 39.2861 177.2481 169 V 3.5201 7.9541 117.7967 65.9128 31.3331 177.8266 170 L 3.8822 8.0482 118.7694 57.7392 41.4045 179.3107 171 K 3.6823 8.0581 119.5977 59.7442 32.0284 178.4814 172 C 3.2226 7.6301 116.7354 62.5325 27.8312 176.2512 173 I 3.5632 7.4796 121.3101 64.1556 36.6598 178.4091 174 K 3.7557 7.8761 120.4905 59.5869 31.7719 178.6022 175 D 4.3890 7.8272 118.3913 57.0620 40.6564 177.8777 176 M 4.0661 7.3464 118.3488 56.6280 32.7249 175.2258 177 Y 3.5167 7.2057 114.1189 64.5247 35.3064 169.1435 178 A 4.1044 7.4671 126.7496 51.2523 18.0022 177.6619 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 1 M 8.30 4.30 0.00 1.94 2.14 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 2 I 7.48 3.84 1.68 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 1.17 0.72 0.30 0.00 0.00 3 S 8.96 4.83 0.00 3.80 3.64 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 4 Y 8.70 4.97 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 5 E 8.63 5.13 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 2.39 0.00 6 F 8.71 4.69 0.00 3.03 2.78 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 0.00 0.00 0.00 7 Q 8.02 5.07 0.00 2.25 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.43 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 8 T 8.84 4.53 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 1.57 0.00 0.00 9 H 8.90 5.45 0.00 3.01 3.15 0.00 5.96 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.65 3.76 0.00 1.43 1.40 0.78 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.12 0.00 1.78 1.80 0.00 2.97 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 12 K 8.28 4.00 0.00 1.81 1.87 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.41 7.81 *23 E 7.92 3.98 0.00 1.99 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 2.20 2.28 0.00 24 N 8.53 4.61 0.00 2.67 2.78 0.00 0.00 7.21 7.61 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 25 K 8.45 4.28 0.00 1.69 1.71 0.00 1.62 0.00 0.00 1.79 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.67 1.46 7.81 26 E 8.82 4.37 0.00 1.91 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 2.25 2.31 0.00 27 L 8.92 5.12 0.00 1.84 1.69 0.98 0.68 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 28 Y 9.14 5.23 0.00 3.23 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 29 V 8.42 4.79 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 1.01 0.00 0.00 0.94 0.00 0.00 30 Q 8.71 5.00 0.00 1.85 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.54 0.00 0.00 0.00 0.00 0.00 2.58 2.61 0.00 31 A 9.42 5.30 1.37 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 32 T 9.01 4.78 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 0.81 0.00 0.00 33 H 8.63 5.11 0.00 3.01 3.20 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 F 8.83 5.01 0.00 3.10 2.94 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 35 N 9.01 4.57 0.00 2.76 2.92 0.00 0.00 6.76 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 36 N 8.01 4.70 0.00 2.78 2.91 0.00 0.00 5.75 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 37 T 7.44 4.58 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 1.17 0.00 0.00 38 I 7.88 4.85 1.37 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.36 0.59 0.00 0.00 39 L 9.21 4.94 0.00 1.90 1.82 0.95 0.52 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 40 L 8.96 5.16 0.00 1.74 1.50 1.10 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 9.61 5.16 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.52 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 42 I 9.16 4.79 2.02 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 1.32 0.82 0.99 0.00 0.00 43 R 9.47 5.14 0.00 1.91 1.91 0.00 3.24 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 44 L 8.49 4.87 0.00 1.72 1.49 0.93 0.64 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 45 N 10.06 4.24 0.00 2.84 2.85 0.00 0.00 7.16 7.45 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 46 G 8.45 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 0.00 0.00 0.00 47 E 7.91 4.38 0.00 2.20 1.89 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 2.31 2.42 0.00 48 M 8.08 4.86 0.00 1.97 1.96 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 2.51 2.54 0.00 49 D 8.79 4.93 0.00 2.65 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 50 S 8.57 4.84 0.00 3.88 3.64 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 51 T 8.18 5.01 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 1.20 0.00 0.00 52 Y 9.17 5.20 0.00 2.85 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 53 E 9.55 4.96 0.00 1.99 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 2.22 2.21 0.00 54 V 9.14 5.05 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 1.00 0.00 0.00 0.94 0.00 0.00 55 S 9.08 5.47 0.00 3.96 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 56 S 8.50 4.35 0.00 3.71 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 57 K 8.64 3.89 0.00 1.73 1.77 0.00 1.72 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.42 7.81 58 G 8.87 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 59 L 7.87 4.37 0.00 1.65 1.56 0.90 0.46 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 *80 Y 8.00 4.32 0.00 2.92 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 81 D 7.86 5.05 0.00 2.69 2.50 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 0.00 82 D 8.20 4.87 0.00 2.77 2.65 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 83 E 8.61 4.42 0.00 2.22 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 2.34 2.37 0.00 84 E 7.90 4.14 0.00 2.35 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 2.32 2.42 0.00 85 E 8.45 4.29 0.00 2.21 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 2.37 2.38 0.00 86 E 8.19 4.10 0.00 2.23 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 2.44 2.47 0.00 87 F 8.20 3.93 0.00 3.17 3.28 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 88 V 8.43 3.67 2.29 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 0.97 0.00 0.00 1.07 0.00 0.00 89 R 7.70 3.91 0.00 1.98 1.92 0.00 3.30 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 90 D 8.36 4.47 0.00 2.45 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.38 4.55 0.00 2.86 3.09 0.00 5.65 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.00 4.10 0.00 1.89 1.55 0.92 0.66 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 93 S 8.29 4.41 0.00 4.05 3.77 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 94 D 7.77 5.00 0.00 2.52 2.56 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 95 Y 8.48 5.18 0.00 2.78 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 96 Q 9.44 4.53 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 97 V 8.50 4.78 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 0.78 0.00 0.00 0.91 0.00 0.00 98 V 8.95 4.45 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 0.94 0.00 0.00 0.97 0.00 0.00 99 T 8.65 4.57 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 1.31 0.00 0.00 100 K 8.93 4.27 0.00 1.56 1.79 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.47 7.81 101 L 7.50 4.24 0.00 1.63 1.39 0.89 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 102 G 8.69 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 0.00 103 D 8.55 4.48 0.00 2.73 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 0.00 104 S 9.01 5.08 0.00 4.07 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 0.00 105 A 8.01 4.64 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 0.00 106 D 8.22 4.71 0.00 2.92 2.55 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 0.00 107 P 0.00 4.30 0.00 2.20 2.16 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 108 K 8.06 4.02 0.00 1.79 1.71 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.62 1.40 7.81 109 V 7.57 3.10 1.89 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 -0.16 0.00 0.00 0.67 0.00 0.00 110 P 0.00 4.31 0.00 2.24 2.23 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 111 V 7.43 3.47 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 0.84 0.00 0.00 0.81 0.00 0.00 112 V 7.13 3.23 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 0.68 0.00 0.00 -0.29 0.00 0.00 113 C 8.08 3.97 0.00 2.84 2.86 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 0.00 114 V 7.54 3.21 2.14 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 0.89 0.00 0.00 0.98 0.00 0.00 115 Q 7.92 3.95 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 116 I 7.98 3.68 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.03 1.11 0.00 0.00 117 A 8.16 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.43 3.82 0.00 1.95 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 2.47 2.51 0.00 119 L 8.01 3.83 0.00 1.79 1.79 0.79 0.64 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 0.00 120 Y 7.99 3.89 0.00 3.39 3.28 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 0.00 121 R 7.67 3.82 0.00 1.60 1.81 0.00 2.39 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.97 0.00 122 R 8.00 4.22 0.00 1.71 1.93 0.00 3.08 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 123 V 7.40 4.14 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 0.78 0.00 0.00 0.86 0.00 0.00 124 I 7.73 4.04 1.51 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.33 0.71 0.00 0.00 125 L 7.81 4.41 0.00 1.70 1.71 1.23 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.89 0.00 2.15 2.04 0.00 3.73 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 1.90 1.96 0.00 127 E 8.37 4.10 0.00 1.89 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 2.38 2.06 0.00 *138 Q 7.98 4.03 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 139 F 8.20 4.45 0.00 3.20 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 0.00 140 S 7.56 4.71 0.00 3.77 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 0.00 141 L 8.72 4.55 0.00 1.18 1.25 0.56 0.69 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 L 8.78 5.00 0.00 1.74 1.48 0.96 0.90 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 0.00 143 I 9.06 4.99 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.67 1.05 0.00 0.00 144 S 9.17 5.40 0.00 3.78 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 0.00 145 M 8.97 5.92 0.00 2.24 2.36 0.00 0.00 0.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.65 0.00 146 S 8.71 4.99 0.00 4.20 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 0.00 147 S 9.77 4.53 0.00 4.19 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 0.00 148 K 7.72 4.30 0.00 1.77 1.89 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.43 7.81 149 I 7.33 3.47 0.56 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.35 -0.23 0.00 0.00 150 W 7.21 4.83 0.00 3.26 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 *157 S 8.38 4.36 0.00 4.01 4.02 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 0.00 158 A 7.96 4.13 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 0.00 159 D 7.93 4.64 0.00 2.71 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 D 8.26 4.76 0.00 2.63 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 0.00 161 N 7.43 4.91 0.00 2.74 2.67 0.00 0.00 6.78 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 D 8.06 4.60 0.00 3.04 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 0.00 163 F 8.35 4.29 0.00 3.18 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 G 8.26 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 0.00 0.00 0.00 165 K 8.22 4.07 0.00 2.07 2.00 0.00 1.58 0.00 0.00 1.49 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.22 1.36 7.81 166 L 8.19 4.21 0.00 1.97 1.75 0.82 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 167 V 7.83 3.39 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 0.96 0.00 0.00 0.21 0.00 0.00 168 F 8.29 4.06 0.00 3.26 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 0.00 169 V 7.95 3.52 2.37 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 1.14 0.00 0.00 1.03 0.00 0.00 170 L 8.05 3.88 0.00 1.81 1.61 0.84 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 171 K 8.06 3.68 0.00 1.75 1.69 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.35 7.81 172 C 7.63 3.22 0.00 2.92 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 0.00 173 I 7.48 3.56 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.43 0.76 0.00 0.00 174 K 7.88 3.76 0.00 1.64 1.76 0.00 1.50 0.00 0.00 1.53 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.32 7.81 175 D 7.83 4.39 0.00 1.82 2.26 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 0.00 176 M 7.35 4.07 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.70 0.00 177 Y 7.21 3.52 0.00 3.08 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 0.00 178 A 7.47 4.10 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 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.