NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4396 8.2929 117.0992 57.6985 64.3162 175.0596 5 Q 3.9229 8.4674 119.1696 61.7054 27.7154 175.4005 6 D 4.9471 8.4855 123.5294 59.0484 40.2234 180.8846 7 E 4.4048 8.1364 119.6035 62.0735 30.0455 183.9286 8 I 3.9818 8.6281 123.7871 65.7368 35.4641 180.8544 9 D 4.6681 8.8822 124.1707 59.3051 39.6528 182.6445 10 D 4.7091 8.5294 125.2445 58.7448 39.7968 181.5529 11 L 4.2517 7.9211 125.6057 60.3085 41.1226 181.6017 12 K 4.0919 8.4198 127.2145 60.8677 31.6559 180.8538 13 D 4.6005 9.0799 123.1081 59.5924 39.8767 182.5136 14 V 3.9980 8.2383 122.2422 66.5339 31.7631 181.0565 *15 F 4.2933 8.7053 124.2701 62.8887 37.6177 179.7238 16 E 4.2350 8.3711 120.6799 61.4091 29.3388 181.6555 17 L 4.1765 7.5514 124.4486 60.5225 41.2215 182.0342 *18 F 4.5180 8.1965 122.8268 61.9552 38.3287 180.4446 19 D 4.8749 8.8684 124.6525 58.7910 39.6594 182.2227 *20 F 4.3456 8.3706 121.9610 62.8793 38.0726 183.5208 *21 W 4.4155 8.0398 124.5897 60.5850 28.2110 178.6479 22 D 4.9676 8.1273 115.7299 53.1193 40.1075 179.1557 23 G 3.7005 8.0664 117.5023 46.1974 0.0000 175.0312 24 R 4.3329 8.4032 126.0271 56.8268 29.5816 174.3384 25 D 4.5188 8.9425 119.1513 52.4406 42.5466 172.3701 26 G 3.9476 9.0302 106.2754 47.0085 0.0000 173.6783 27 A 4.9447 7.9592 121.1843 50.8246 22.3801 177.5383 28 V 4.5237 9.0105 122.3850 59.7831 36.0154 174.9700 29 D 4.9948 8.6865 124.7896 53.3724 40.3629 176.3231 30 A 3.5416 9.4063 131.2431 54.5768 18.5400 179.3461 *31 F 4.5186 8.1336 114.2930 58.2885 38.5790 182.4641 32 K 4.6316 8.8485 126.9106 58.1226 32.6605 183.7923 33 L 4.3083 8.1785 121.0961 61.2193 40.5326 183.9483 34 G 4.0169 8.4323 107.3114 47.2635 0.0000 175.5137 35 D 4.5588 8.2163 128.4444 58.7488 40.2258 181.9121 36 V 3.9958 8.1005 121.8341 67.2825 31.6999 181.5822 37 C 4.5666 8.2523 120.5650 60.5930 39.6620 179.0211 38 R 4.9155 7.9052 124.4140 61.4850 29.0476 181.6762 39 C 4.8414 8.5010 119.7625 60.1933 39.8433 180.2173 40 L 4.6889 7.3502 118.2926 54.8081 39.9207 181.4002 41 G 4.3403 7.9815 118.8979 46.2499 0.0000 174.9905 42 I 3.6822 7.2529 118.7648 58.9101 37.1376 177.3852 43 N 5.3079 8.2411 119.9539 51.0266 38.2872 174.0609 44 P 4.6405 0.0000 0.0000 61.7808 32.4430 177.0936 45 R 4.7467 8.1891 119.6120 58.7095 32.4383 175.8487 46 N 4.5421 8.8437 124.2249 58.5775 37.2907 178.1002 47 E 4.2501 8.3829 121.4002 61.8720 29.8011 180.9465 48 D 4.7755 8.1430 123.9191 58.9153 39.9127 181.1936 49 V 3.9598 8.1991 123.4724 66.7391 31.4666 181.1044 *50 F 4.2339 7.9978 121.0247 61.7216 37.5012 179.0229 51 A 4.2390 7.6979 122.5718 55.6343 18.1587 179.5886 52 V 3.9829 8.1801 113.0145 60.4643 32.3472 180.4502 53 G 5.0355 7.3874 119.4508 46.7761 0.0000 172.9301 54 G 4.2836 7.8489 111.6251 46.6446 0.0000 173.0571 55 T 4.7495 8.0060 112.5022 59.4256 72.5089 175.2201 *56 H 4.4081 8.9212 120.6748 57.7069 28.3476 177.3484 57 K 4.7349 7.6848 119.8689 53.2007 35.6104 179.7510 58 M 4.3868 8.3480 116.1323 55.6280 32.5372 178.2480 59 G 4.0763 8.7158 109.6157 50.1506 0.0000 175.8443 60 E 3.9776 9.6004 116.9011 57.5170 30.0024 180.0364 61 K 4.4736 7.2696 122.7982 55.3187 35.5104 176.2693 62 S 5.3716 8.9650 121.5701 57.8654 66.0427 174.7704 63 L 4.8845 9.5087 124.2793 54.0467 45.7563 177.1220 64 P 4.6677 0.0000 0.0000 61.8862 32.7035 177.1278 *65 F 4.5209 8.5479 117.0789 63.0099 37.8241 174.2916 66 E 4.2720 8.1788 118.0582 62.4084 29.7463 184.2618 67 E 4.4924 8.1913 119.8442 60.7038 30.4144 180.9014 *68 F 4.4637 7.7136 121.2222 62.6892 38.1466 182.6472 69 L 4.2642 7.7684 125.4191 60.0258 40.6922 180.7648 70 P 4.5992 0.0000 0.0000 66.3541 30.7411 180.0684 71 A 4.3726 7.9396 120.6296 56.3722 18.0454 179.7604 *72 Y 4.1500 7.8867 120.1598 62.0769 37.1809 180.4799 73 E 4.4637 8.0451 118.2220 61.7016 29.8337 183.2719 74 G 3.8244 8.7584 109.7927 48.0440 0.0000 176.0634 75 L 4.0916 8.3817 121.0979 55.5366 40.8752 180.4784 76 M 4.3886 8.7319 121.4748 58.1991 32.2885 182.6825 77 D 4.6307 7.5502 117.9628 54.8023 40.0122 178.4203 78 C 4.5303 7.5547 118.0955 57.8280 28.9096 179.4507 79 E 4.0304 8.8778 121.9272 56.6566 29.6943 175.7385 80 Q 4.7632 8.4539 121.2212 51.9886 31.0406 173.1515 81 G 3.7651 8.6256 113.4088 45.4689 0.0000 175.3321 82 T 4.3877 8.3724 123.0600 62.7352 71.0909 172.7222 *83 F 4.3052 8.4757 118.6970 63.2325 37.9640 174.1568 84 A 4.2328 8.1618 122.9687 56.0659 18.2366 179.6965 85 D 4.3994 8.2456 120.9350 59.7130 39.7222 181.2723 *86 Y 4.3248 7.8839 124.3374 62.3261 36.5522 180.7542 87 M 4.3797 8.1169 122.8908 60.8434 31.8160 182.0631 88 E 4.1817 8.8021 119.6551 61.0900 29.2677 180.6138 89 A 4.2479 8.3423 122.9460 56.1027 18.4640 180.5453 *90 F 4.2135 8.0371 120.8302 62.1480 37.9923 180.3832 91 K 4.3274 8.2915 125.0631 60.9020 31.3141 183.9479 92 T 4.3457 7.5648 113.7149 64.8358 68.3538 177.3336 *93 F 4.7287 7.8091 119.6009 57.8176 38.4391 180.8908 94 D 4.7767 8.3875 123.0285 53.1977 39.2931 183.4235 95 R 4.3227 8.6064 127.4538 58.8315 29.9445 176.1440 96 E 4.0667 8.1490 113.6500 57.2811 29.7990 180.5027 97 G 4.0205 7.8798 107.7578 46.0218 0.0000 173.8954 98 Q 4.4806 7.7744 117.9815 55.1334 29.0066 181.3642 99 G 3.8692 8.3498 106.5992 47.9201 0.0000 174.4570 *100 F 5.2841 6.8936 115.9955 54.3584 41.5427 177.3971 101 I 4.0100 7.4985 116.1897 61.2135 38.4839 170.3220 102 S 5.2776 7.7106 118.8006 59.5585 65.6778 175.2604 103 G 3.7786 8.4935 106.8572 48.7421 0.0000 175.8885 104 A 4.0467 8.0833 125.6829 55.3048 18.3939 180.1729 105 E 3.9626 8.2430 118.4321 61.8172 30.0031 181.1709 106 L 4.2444 8.0356 126.3318 60.0908 40.8042 181.9153 107 R 4.1952 8.4627 124.4829 62.3466 29.3258 180.8510 *108 H 4.3889 8.1388 122.3009 60.2899 27.7791 180.3973 109 V 3.9214 8.1790 125.0181 66.3453 31.3156 180.9882 110 L 4.2963 8.0400 125.7048 60.3851 40.6915 182.0113 111 T 4.4684 8.3407 115.9331 64.7762 68.5449 177.4761 112 A 4.4150 8.4392 126.1562 54.1929 19.4746 178.2510 113 L 4.4620 7.4886 114.4903 53.1709 42.7162 179.9193 114 G 3.8784 8.6237 109.6025 46.6770 0.0000 173.7448 115 E 4.0789 8.8601 115.9663 56.4146 27.8646 172.7738 116 R 4.2657 7.9508 127.8910 55.3921 31.2312 175.1075 117 L 4.8051 8.3377 120.5977 54.3950 44.8682 177.8336 118 S 4.2040 9.1173 125.0116 58.8114 63.1489 172.7692 119 D 4.6155 8.9467 123.4706 59.0980 39.5620 180.5612 120 E 4.2666 8.1856 119.6560 62.4681 30.0470 184.3533 121 D 4.7040 8.2469 124.4228 58.8357 39.7374 181.2346 122 V 3.9236 7.5975 120.7511 66.9338 31.8035 182.4357 123 D 4.7310 8.1821 124.2603 59.2153 39.5219 180.4174 124 E 4.3755 8.7940 120.5342 60.8611 29.3650 183.2840 125 I 4.0005 7.7293 124.1242 66.1979 36.0242 180.8032 126 I 3.9578 8.0605 122.3383 66.0169 35.1374 183.0383 127 K 4.2285 8.0071 127.3121 60.9964 31.9381 181.0733 128 L 4.2278 8.6409 126.2035 60.2071 40.4371 181.2079 129 T 4.2421 8.2835 120.0779 63.9997 69.5336 176.2664 130 D 4.6185 7.8908 119.9312 55.5304 37.7249 180.4407 131 L 4.2774 8.0020 122.6348 55.1865 41.8914 179.4255 132 Q 4.6794 8.5064 123.0951 52.9893 31.8746 173.2954 133 E 5.1763 8.5772 118.5062 54.2468 32.2402 176.2117 134 D 4.9395 8.1395 119.8187 53.5269 42.2172 178.5029 135 L 4.0786 8.6524 116.8397 59.8288 40.9909 174.6425 136 E 4.2407 8.1158 112.2084 56.1742 30.3763 179.0790 137 G 3.8228 8.1997 108.3524 48.3208 0.0000 173.5182 138 N 5.5788 8.1191 119.0144 51.4788 41.4618 176.9345 139 V 4.7200 9.0019 119.1983 60.8475 36.6357 176.8233 140 K 5.0442 8.7276 129.4666 54.6619 31.9159 177.5929 *141 Y 4.1492 8.7676 131.7339 60.9203 36.5772 175.8641 142 E 4.2634 8.1488 119.4697 62.5436 30.2683 184.3959 143 D 4.7631 7.9690 124.9553 59.0206 39.8893 180.6495 *144 F 4.1760 8.2724 123.7274 62.9195 37.8805 180.4245 145 V 3.9226 7.9360 121.6340 66.7341 31.1108 181.4636 146 K 4.3054 7.9061 125.4412 60.1999 31.7452 182.0856 147 K 4.3797 8.2431 127.2954 60.3314 31.5356 182.1425 148 V 3.9043 7.9794 122.0116 67.1723 31.4685 180.7480 149 M 4.4254 7.9213 119.5036 59.3867 31.2743 179.8716 150 A 4.3217 8.0372 121.2517 54.9489 18.7523 177.3084 151 G 4.1170 7.7764 102.0772 43.0598 0.0000 172.6939 152 P 4.2799 0.0000 0.0000 64.5038 30.9420 175.0392 *153 Y 4.5117 7.7934 116.5736 55.4278 38.7817 178.1715 154 P 4.5800 0.0000 0.0000 61.2354 31.1108 172.7713 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 S 8.29 4.44 0.00 3.67 3.84 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 5 Q 8.47 3.92 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.05 0.00 6 D 8.49 4.95 0.00 2.76 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 7 E 8.14 4.40 0.00 1.97 1.95 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 2.31 1.94 0.00 8 I 8.63 3.98 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 1.38 0.53 0.91 0.00 0.00 9 D 8.88 4.67 0.00 2.62 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 10 D 8.53 4.71 0.00 2.66 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 11 L 7.92 4.25 0.00 1.64 1.71 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.42 4.09 0.00 1.76 1.82 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.35 7.81 13 D 9.08 4.60 0.00 2.62 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 14 V 8.24 4.00 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 0.71 0.00 0.00 0.93 0.00 0.00 *15 F 8.71 4.29 0.00 2.22 2.36 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 16 E 8.37 4.24 0.00 2.01 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 2.24 2.20 0.00 17 L 7.55 4.18 0.00 1.83 1.67 0.92 0.84 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 *18 F 8.20 4.52 0.00 2.29 2.27 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 19 D 8.87 4.87 0.00 2.63 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 F 8.37 4.35 0.00 2.28 2.31 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 *21 W 8.04 4.42 0.00 2.61 2.24 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 22 D 8.13 4.97 0.00 2.67 2.54 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 23 G 8.07 3.70 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 24 R 8.40 4.33 0.00 1.84 1.77 0.00 3.20 0.00 0.00 3.92 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.17 0.00 25 D 8.94 4.52 0.00 2.62 2.48 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 26 G 9.03 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 27 A 7.96 4.94 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 28 V 9.01 4.52 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 0.72 0.00 0.00 0.93 0.00 0.00 29 D 8.69 4.99 0.00 2.36 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 30 A 9.41 3.54 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 *31 F 8.13 4.52 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.85 4.63 0.00 1.67 1.80 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.28 7.81 33 L 8.18 4.31 0.00 1.64 1.75 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.43 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 0.00 0.00 0.00 35 D 8.22 4.56 0.00 2.78 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 36 V 8.10 4.00 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 0.71 0.00 0.00 0.93 0.00 0.00 37 C 8.25 4.57 0.00 2.87 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.91 4.92 0.00 1.92 1.88 0.00 3.19 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.37 0.00 39 C 8.50 4.84 0.00 2.82 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 40 L 7.35 4.69 0.00 1.68 1.56 0.92 0.96 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 41 G 7.98 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.25 3.68 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 1.27 0.69 0.91 0.00 0.00 43 N 8.24 5.31 0.00 2.66 2.57 0.00 0.00 6.62 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.64 0.00 2.08 1.88 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 45 R 8.19 4.75 0.00 1.80 1.82 0.00 3.24 0.00 0.00 3.37 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.24 0.00 46 N 8.84 4.54 0.00 2.72 2.88 0.00 0.00 6.84 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 47 E 8.38 4.25 0.00 2.06 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 2.24 1.97 0.00 48 D 8.14 4.78 0.00 2.67 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.20 3.96 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 0.71 0.00 0.00 0.93 0.00 0.00 *50 F 8.00 4.23 0.00 2.31 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.70 4.24 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 52 V 8.18 3.98 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 0.74 0.00 0.00 0.93 0.00 0.00 53 G 7.39 5.04 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 0.00 0.00 0.00 54 G 7.85 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 0.00 0.00 0.00 0.00 55 T 8.01 4.75 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 *56 H 8.92 4.41 0.00 2.92 3.01 0.00 7.11 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 57 K 7.68 4.73 0.00 1.71 1.55 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 0.96 7.81 58 M 8.35 4.39 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.11 0.00 59 G 8.72 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 60 E 9.60 3.98 0.00 2.01 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 2.27 2.19 0.00 61 K 7.27 4.47 0.00 1.39 1.64 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.19 0.83 7.81 62 S 8.96 5.37 0.00 3.35 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 63 L 9.51 4.88 0.00 1.18 1.48 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.67 0.00 1.99 1.99 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.58 0.00 *65 F 8.55 4.52 0.00 2.28 2.31 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 66 E 8.18 4.27 0.00 2.06 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 2.23 1.94 0.00 67 E 8.19 4.49 0.00 2.06 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 2.22 1.93 0.00 *68 F 7.71 4.46 0.00 2.41 2.32 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 69 L 7.77 4.26 0.00 1.61 1.73 0.92 0.97 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 70 P 0.00 4.60 0.00 2.07 2.08 0.00 3.70 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 2.02 1.65 0.00 71 A 7.94 4.37 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 *72 Y 7.89 4.15 0.00 2.43 2.22 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 73 E 8.05 4.46 0.00 2.01 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 2.24 2.19 0.00 74 G 8.76 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 75 L 8.38 4.09 0.00 1.65 1.58 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 76 M 8.73 4.39 0.00 1.88 2.07 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 77 D 7.55 4.63 0.00 2.64 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 78 C 7.55 4.53 0.00 2.74 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.88 4.03 0.00 1.98 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.90 0.00 80 Q 8.45 4.76 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.17 1.88 0.00 81 G 8.63 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 0.00 0.00 0.00 82 T 8.37 4.39 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 *83 F 8.48 4.31 0.00 2.28 2.32 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 84 A 8.16 4.23 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 85 D 8.25 4.40 0.00 2.69 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 *86 Y 7.88 4.32 0.00 2.30 2.33 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 87 M 8.12 4.38 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 88 E 8.80 4.18 0.00 1.91 1.95 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 2.25 2.22 0.00 89 A 8.34 4.25 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 *90 F 8.04 4.21 0.00 2.28 2.31 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 91 K 8.29 4.33 0.00 1.76 1.85 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.32 7.81 92 T 7.56 4.35 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 *93 F 7.81 4.73 0.00 2.20 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 0.00 0.00 0.00 0.00 94 D 8.39 4.78 0.00 2.55 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 95 R 8.61 4.32 0.00 1.82 1.87 0.00 3.24 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 96 E 8.15 4.07 0.00 1.98 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 2.23 1.88 0.00 97 G 7.88 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 0.00 0.00 0.00 98 Q 7.77 4.48 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.35 0.00 0.00 0.00 0.00 0.00 2.30 1.91 0.00 99 G 8.35 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 0.00 0.00 0.00 *100 F 6.89 5.28 0.00 2.30 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 0.00 0.00 0.00 101 I 7.50 4.01 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 1.27 0.30 0.91 0.00 0.00 102 S 7.71 5.28 0.00 3.71 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 8.49 3.78 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 0.00 0.00 0.00 104 A 8.08 4.05 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 0.00 105 E 8.24 3.96 0.00 1.99 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 2.31 1.94 0.00 106 L 8.04 4.24 0.00 1.66 1.73 0.92 0.76 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 0.00 107 R 8.46 4.20 0.00 1.78 1.98 0.00 3.25 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 *108 H 8.14 4.39 0.00 2.94 3.11 0.00 7.18 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.18 3.92 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 0.71 0.00 0.00 0.93 0.00 0.00 110 L 8.04 4.30 0.00 1.67 1.70 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.34 4.47 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 0.00 112 A 8.44 4.42 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 0.00 113 L 7.49 4.46 0.00 1.63 1.45 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.62 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 0.00 0.00 0.00 115 E 8.86 4.08 0.00 2.00 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 2.23 1.89 0.00 116 R 7.95 4.27 0.00 1.59 1.78 0.00 3.17 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.27 0.00 117 L 8.34 4.81 0.00 1.32 1.51 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 118 S 9.12 4.20 0.00 3.41 3.81 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 0.00 119 D 8.95 4.62 0.00 2.68 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.19 4.27 0.00 1.97 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 2.31 1.94 0.00 121 D 8.25 4.70 0.00 2.67 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.60 3.92 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 0.71 0.00 0.00 0.93 0.00 0.00 123 D 8.18 4.73 0.00 2.62 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.79 4.38 0.00 1.98 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 125 I 7.73 4.00 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 1.38 0.53 0.91 0.00 0.00 126 I 8.06 3.96 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 1.38 0.54 0.91 0.00 0.00 127 K 8.01 4.23 0.00 1.87 1.77 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.34 7.81 128 L 8.64 4.23 0.00 1.62 1.59 0.92 0.69 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 0.00 129 T 8.28 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 0.00 130 D 7.89 4.62 0.00 2.84 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.00 4.28 0.00 1.68 1.49 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 132 Q 8.51 4.68 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.85 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 133 E 8.58 5.18 0.00 1.97 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.81 0.00 134 D 8.14 4.94 0.00 2.59 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 0.00 135 L 8.65 4.08 0.00 1.66 1.62 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.12 4.24 0.00 1.98 1.88 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 2.22 1.87 0.00 137 G 8.20 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 0.00 138 N 8.12 5.58 0.00 2.39 2.66 0.00 0.00 6.61 7.67 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 0.00 139 V 9.00 4.72 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 0.65 0.00 0.00 0.93 0.00 0.00 140 K 8.73 5.04 0.00 1.44 1.77 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 0.85 7.81 *141 Y 8.77 4.15 0.00 2.31 2.33 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 0.00 142 E 8.15 4.26 0.00 2.06 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 2.23 1.94 0.00 143 D 7.97 4.76 0.00 2.65 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *144 F 8.27 4.18 0.00 2.27 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 0.00 0.00 0.00 145 V 7.94 3.92 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 0.71 0.00 0.00 0.93 0.00 0.00 146 K 7.91 4.31 0.00 1.87 1.76 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.32 7.81 147 K 8.24 4.38 0.00 1.78 1.84 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 148 V 7.98 3.90 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 0.93 0.00 0.00 0.93 0.00 0.00 149 M 7.92 4.43 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 150 A 8.04 4.32 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 0.00 151 G 7.78 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 0.00 152 P 0.00 4.28 0.00 2.10 1.97 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 *153 Y 7.79 4.51 0.00 2.27 2.09 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 0.00 154 P 0.00 4.58 0.00 2.07 1.83 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.