NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 R 4.3497 8.2549 119.0747 55.9716 31.8281 176.0213 10 H 4.7227 8.2150 112.5404 55.0220 29.0967 172.1751 11 L 4.9409 7.5150 119.4975 52.4817 44.2080 174.3935 12 P 4.5940 0.0000 0.0000 62.8914 32.6656 174.6700 13 Y 4.5489 8.6086 123.8373 55.8774 41.0114 174.0084 14 F 4.8231 7.8622 125.3121 55.6920 41.0360 174.6910 15 C 4.7580 8.7206 116.9218 57.3845 33.2643 172.9651 16 R 5.2172 8.0597 117.5391 55.0083 33.9949 174.6288 17 G 3.9476 8.6015 106.5344 45.2688 0.0000 172.8328 18 Q 4.7909 8.5283 120.2881 55.9049 30.3759 175.7292 19 V 4.5936 8.7902 123.8840 62.6696 32.5617 175.3237 20 V 4.9972 8.7589 120.9860 59.3803 35.2638 175.9875 21 R 4.1820 8.6507 121.2665 56.1586 30.7433 176.8438 22 G 3.8856 7.9775 109.5143 43.7973 0.0000 171.6683 23 F 4.7140 8.1730 117.2436 55.5358 42.4132 175.7337 24 G 3.9110 8.4504 109.0649 45.8515 0.0000 172.0961 25 R 4.3158 8.4561 118.9781 54.7341 31.3222 177.6794 26 G 3.7911 8.4344 114.0407 45.6039 0.0000 174.0509 27 S 4.3913 8.5081 114.8411 58.9143 63.2229 176.0642 28 K 3.7986 8.1661 123.4199 60.0617 31.5066 178.4571 29 Q 3.9906 8.0741 116.7222 58.5418 28.4496 177.7008 30 L 4.4635 7.8338 118.8413 53.8744 42.0899 177.2238 31 G 3.9520 8.1078 107.3696 45.8707 0.0000 174.7166 32 I 4.4033 7.1480 120.1261 57.8739 37.7303 172.5571 33 P 4.5398 0.0000 0.0000 62.7311 33.0034 176.0379 34 T 4.6742 7.9257 112.0633 59.9160 70.8730 173.1074 35 A 4.2704 9.1557 129.4913 51.0713 20.2979 175.8517 36 N 4.9958 8.6063 119.1611 51.9877 41.0531 174.4325 37 F 5.7584 8.3677 119.0340 54.2572 41.7616 174.2579 38 P 4.5531 0.0000 0.0000 62.4486 32.0345 177.1615 39 E 4.0497 9.1719 121.6383 59.9298 29.1738 179.4473 40 Q 4.0113 8.1211 116.0745 59.3477 28.7647 178.7151 41 V 3.6479 7.8529 119.9802 65.7992 31.6440 178.1896 42 V 3.6587 7.8764 117.5129 66.1715 31.2060 177.3804 43 D 4.5480 8.4285 117.6150 56.4304 40.6902 176.7785 44 N 4.7826 7.6131 115.0590 52.7377 39.1490 175.3763 45 L 3.7485 7.5348 119.4795 53.7874 42.5280 175.5307 46 P 4.2537 0.0000 0.0000 62.1754 31.8696 177.5430 47 A 4.0299 8.4358 124.0812 55.0354 18.4087 178.5941 48 D 4.4932 7.8388 113.3796 54.9179 39.9875 177.3375 49 I 4.0175 7.0568 121.7207 59.7482 35.4030 175.5870 50 S 4.2890 7.9611 119.6007 57.5996 63.7893 174.9413 51 T 4.0240 7.8463 111.0621 61.6593 69.3865 174.3276 52 G 3.8656 7.7978 108.7039 44.2219 0.0000 171.6823 53 I 4.9607 7.9752 121.1182 59.8217 39.6704 175.0138 54 Y 5.1340 9.4850 123.6046 56.2761 42.4656 173.6402 55 Y 5.1205 8.3514 117.5252 55.4128 41.8020 175.0120 56 G 4.0879 7.8342 108.0493 46.0459 0.0000 172.2335 57 W 5.5799 8.6109 121.7801 55.1016 33.5389 174.5896 58 A 5.7161 9.4210 123.7752 50.8231 22.6063 175.3178 59 S 5.1264 9.4652 114.3539 56.6085 67.4272 172.7444 60 V 4.5042 8.3213 120.0775 61.1825 33.7182 175.5039 61 G 4.1653 8.9313 117.7593 47.0881 0.0000 173.9425 62 S 5.0094 8.2611 117.4346 56.8641 63.0743 174.1333 63 G 3.8569 8.0369 111.4393 45.2402 0.0000 173.0311 64 D 4.5335 8.1774 118.7984 53.9608 41.8544 176.3745 65 V 4.0902 7.8181 120.2245 62.4123 32.4547 174.7240 66 H 5.3105 9.2897 124.0489 53.6254 33.4318 173.0803 67 K 4.3185 8.6893 119.1236 56.9739 33.3649 176.0300 68 M 5.2058 8.7978 119.1896 54.3171 35.2159 173.7802 69 V 4.9805 8.5828 112.7790 59.6240 35.2933 174.9380 70 V 4.8205 8.7692 123.8650 61.1818 34.7728 173.9856 71 S 5.1036 9.0303 122.9798 57.0478 64.1677 172.4734 72 I 4.8048 9.0153 129.0359 59.7320 39.4575 175.1910 73 G 4.2770 8.7970 113.6064 44.3082 0.0000 170.6156 74 W 5.0872 8.4990 119.1638 55.6011 30.4063 176.1612 75 N 4.5693 9.2417 124.2566 52.1289 38.3726 173.5386 76 P 4.1915 0.0000 0.0000 64.4770 31.5366 176.4601 77 Y 4.7999 7.9971 114.6575 58.0616 40.0395 175.5479 78 Y 5.0444 7.5012 116.3513 55.8929 39.7008 175.5054 79 K 4.0418 8.5081 121.5945 58.1390 33.3071 178.0824 80 N 4.2792 8.5847 118.8233 53.0042 37.0847 174.2885 81 T 4.4286 8.2315 108.1490 60.5390 68.3709 173.2971 82 K 4.6999 8.2456 128.3799 55.9655 34.5404 176.2086 83 K 4.9105 8.6001 122.7278 55.4696 34.2085 175.5647 84 S 4.9300 8.9498 115.1927 57.1380 66.6752 172.8180 85 M 5.3740 8.4838 119.7104 54.2569 35.2750 173.7452 86 E 4.9097 9.0574 122.6771 55.2644 33.8532 173.9235 87 T 4.9645 8.8740 119.1870 62.0188 72.1001 172.2043 88 H 5.3065 9.1643 126.3611 53.7408 32.0912 172.9477 89 I 4.5289 8.2243 126.5460 60.4168 38.4200 176.7388 90 M 4.4141 8.6029 128.5286 53.3181 29.9317 174.5030 91 H 4.3891 7.7193 116.9810 55.1539 33.2535 173.1372 92 T 4.2004 8.0020 123.7350 62.8170 68.6206 174.1996 93 F 4.6037 8.6258 125.6429 55.9362 40.4496 176.3668 94 K 4.1781 8.7768 125.5123 58.8597 32.3827 176.1064 95 E 4.7528 7.8118 114.0805 54.6669 32.3165 173.9759 96 D 4.3495 8.4332 119.5065 54.4312 41.7913 175.8800 97 F 5.0283 6.8783 113.1903 56.2106 38.1995 174.5529 98 Y 4.2774 7.8169 118.3201 60.8854 38.2627 177.1756 99 G 4.1094 9.3560 113.4077 45.4237 0.0000 173.6320 100 E 4.4162 7.8933 118.6249 56.0155 31.4516 175.7970 101 I 4.7562 8.2093 121.9674 60.5779 39.0132 174.6330 102 L 4.9287 9.3627 130.3238 54.0120 43.9020 174.6587 103 N 5.6047 9.4121 124.5463 51.9844 40.6607 174.4225 104 V 5.4691 9.8159 116.9358 59.5589 36.2333 174.6586 105 A 4.5240 9.5608 126.2353 50.2068 21.4075 175.3291 106 I 4.2670 8.7017 124.5955 61.2537 37.8344 177.1584 107 V 3.9984 8.4319 121.0815 62.0484 33.6479 176.2185 108 G 3.6207 6.8162 105.2237 44.8918 0.0000 170.9379 109 Y 4.3465 8.3687 121.2985 56.1308 40.3286 175.4560 110 L 4.2932 8.3129 127.7110 55.9983 42.5195 176.8141 111 R 4.3661 6.2954 112.6917 54.1314 32.4145 171.8485 112 P 5.3053 0.0000 0.0000 61.9613 32.3447 175.8803 113 E 4.2129 8.6534 119.5451 56.4737 30.0136 176.7150 114 K 4.4957 7.9758 119.1125 54.6484 36.1324 175.5037 115 N 4.6607 8.1594 118.1827 51.9319 39.8499 174.8389 116 F 4.9966 8.4714 121.0696 55.8741 41.6459 175.1076 117 D 4.7705 8.6922 122.0886 53.5371 40.1258 176.3501 118 S 4.6086 7.5105 113.1084 56.6748 67.2548 175.6581 119 L 3.9758 8.3339 122.3530 57.6788 41.3271 179.1933 120 E 3.8831 8.1826 119.2050 59.4768 29.4965 179.0064 121 S 4.1082 8.0018 113.9812 60.9323 63.2502 176.0929 122 L 2.8226 7.7219 123.8567 57.7753 41.8648 179.1234 123 I 3.5854 7.9372 120.0511 64.3205 36.9887 178.3430 124 S 3.9959 7.9549 113.7875 61.1652 62.0705 176.0524 125 A 3.8711 7.7942 123.4593 55.1937 18.0105 179.6332 126 I 3.7023 7.5231 118.1638 64.7005 37.1761 178.6325 127 Q 4.0302 8.1122 118.9202 59.0084 28.4428 179.3553 128 G 3.5551 8.1550 106.7146 47.6868 0.0000 175.5074 129 D 4.3008 8.3041 121.4478 57.1848 40.8536 178.8547 130 I 3.6432 7.9016 120.3980 64.5466 37.0237 178.3887 131 E 3.9087 8.2127 119.2784 59.2934 29.2840 179.0549 132 E 3.7983 8.4684 119.5085 59.0717 29.7023 178.5531 133 A 3.3745 8.1897 121.1642 55.0970 18.1868 179.6703 134 K 3.7693 7.7434 115.5258 59.5047 32.4647 179.4911 135 K 4.0983 7.6544 118.7528 59.6233 32.0605 179.7867 136 R 3.9949 7.7531 118.2072 58.9024 29.6753 178.5758 137 L 4.3987 7.6290 116.9512 56.3708 41.7282 178.2036 138 E 4.3638 7.8628 117.5753 56.5795 30.2323 176.9013 139 L 4.2244 7.6883 120.8183 53.8357 42.3808 176.1695 140 P 4.3178 0.0000 0.0000 65.8980 31.0356 178.7047 141 E 3.9608 8.0415 114.5114 58.7368 29.7283 177.6357 142 Y 4.9989 7.5584 116.7944 59.5872 39.1389 177.2306 143 L 4.4436 8.6524 122.1008 58.2692 42.1778 179.2394 144 K 4.0451 8.0319 118.3919 59.7861 32.4672 179.0764 145 I 3.9951 7.9507 120.8988 63.5640 36.7810 177.8794 146 K 2.9914 6.9908 120.1624 58.4743 31.7415 177.4332 147 E 4.3840 7.5881 116.1686 55.0642 30.3496 175.8125 148 D 4.5584 7.7848 120.2517 54.1565 42.0297 177.0263 149 N 4.3844 8.7764 122.0713 55.9455 38.1896 177.1299 150 F 3.8504 8.3123 122.1948 61.6489 39.7343 177.0453 151 F 4.3204 8.0638 116.6727 60.3026 38.6680 177.9560 152 Q 4.1545 8.0431 117.7670 58.6237 28.3086 178.6605 153 V 3.5838 7.7786 120.0592 65.0176 31.6232 178.3623 154 S 4.1969 7.6933 113.5428 59.8922 62.4407 174.5620 155 K 4.1654 7.6347 125.5209 56.3798 32.0096 176.1308 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 *9 R 8.25 4.35 0.00 1.85 1.92 0.00 3.20 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 10 H 8.21 4.72 0.00 3.37 3.34 0.00 5.85 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.52 4.94 0.00 1.56 1.59 1.04 1.12 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 12 P 0.00 4.59 0.00 1.46 1.96 0.00 3.80 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 2.12 2.08 0.00 13 Y 8.61 4.55 0.00 3.12 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 14 F 7.86 4.82 0.00 2.34 1.46 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 15 C 8.72 4.76 0.00 2.82 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 16 R 8.06 5.22 0.00 1.63 1.82 0.00 3.19 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 17 G 8.60 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 18 Q 8.53 4.79 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.02 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 19 V 8.79 4.59 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 0.58 0.00 0.00 1.16 0.00 0.00 20 V 8.76 5.00 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 0.86 0.00 0.00 1.05 0.00 0.00 21 R 8.65 4.18 0.00 1.53 1.50 0.00 2.83 0.00 0.00 2.78 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.79 0.00 22 G 7.98 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 23 F 8.17 4.71 0.00 3.06 2.97 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 24 G 8.45 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 0.00 0.00 0.00 25 R 8.46 4.32 0.00 1.79 1.85 0.00 3.29 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 26 G 8.43 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 27 S 8.51 4.39 0.00 4.08 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 28 K 8.17 3.80 0.00 1.80 1.92 0.00 1.67 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.52 1.49 7.81 29 Q 8.07 3.99 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.83 0.00 0.00 0.00 0.00 0.00 2.66 2.39 0.00 30 L 7.83 4.46 0.00 1.66 1.69 0.88 0.90 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 31 G 8.11 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 32 I 7.15 4.40 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.81 0.59 0.00 0.00 33 P 0.00 4.54 0.00 2.02 2.12 0.00 3.72 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 2.14 1.99 0.00 34 T 7.93 4.67 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 1.32 0.00 0.00 35 A 9.16 4.27 1.11 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 0.00 0.00 36 N 8.61 5.00 0.00 2.86 2.78 0.00 0.00 7.02 8.13 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 37 F 8.37 5.76 0.00 3.08 2.84 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 38 P 0.00 4.55 0.00 2.25 2.06 0.00 3.78 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 39 E 9.17 4.05 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.70 0.00 40 Q 8.12 4.01 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 41 V 7.85 3.65 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 0.54 0.00 0.00 0.70 0.00 0.00 42 V 7.88 3.66 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.09 0.00 0.00 43 D 8.43 4.55 0.00 2.88 2.76 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 0.00 0.00 0.00 44 N 7.61 4.78 0.00 2.89 2.91 0.00 0.00 7.00 7.88 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 45 L 7.53 3.75 0.00 1.48 1.26 0.77 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.25 0.00 2.15 1.58 0.00 2.86 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.89 0.00 47 A 8.44 4.03 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 48 D 7.84 4.49 0.00 2.77 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 49 I 7.06 4.02 1.66 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.32 0.42 0.00 0.00 50 S 7.96 4.29 0.00 3.96 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 51 T 7.85 4.02 4.18 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 0.18 0.00 0.00 52 G 7.80 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 53 I 7.98 4.96 1.69 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.98 0.89 0.00 0.00 54 Y 9.49 5.13 0.00 2.78 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 8.35 5.12 0.00 2.87 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 56 G 7.83 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 57 W 8.61 5.58 0.00 3.48 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 58 A 9.42 5.72 1.34 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 59 S 9.47 5.13 0.00 4.08 3.90 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 60 V 8.32 4.50 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 0.62 0.00 0.00 -0.29 0.00 0.00 61 G 8.93 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 0.00 0.00 0.00 0.00 62 S 8.26 5.01 0.00 3.97 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 63 G 8.04 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 64 D 8.18 4.53 0.00 2.39 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 65 V 7.82 4.09 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.35 0.00 0.00 66 H 9.29 5.31 0.00 3.11 3.15 0.00 5.67 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.69 4.32 0.00 1.63 1.45 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.68 1.48 7.81 68 M 8.80 5.21 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.66 0.00 69 V 8.58 4.98 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 0.72 0.00 0.00 0.98 0.00 0.00 70 V 8.77 4.82 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 0.96 0.00 0.00 0.95 0.00 0.00 71 S 9.03 5.10 0.00 3.95 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 72 I 9.02 4.80 1.93 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.44 0.76 0.00 0.00 73 G 8.80 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 74 W 8.50 5.09 0.00 3.17 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 75 N 9.24 4.57 0.00 2.61 2.70 0.00 0.00 7.22 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 76 P 0.00 4.19 0.00 0.77 1.71 0.00 3.23 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.90 0.00 77 Y 8.00 4.80 0.00 2.75 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 78 Y 7.50 5.04 0.00 3.03 2.84 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 79 K 8.51 4.04 0.00 1.90 1.87 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.50 7.81 80 N 8.58 4.28 0.00 2.99 3.00 0.00 0.00 6.82 7.54 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 81 T 8.23 4.43 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 0.99 0.00 0.00 82 K 8.25 4.70 0.00 1.90 1.99 0.00 2.04 0.00 0.00 2.11 0.00 0.00 2.94 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.66 1.74 7.81 83 K 8.60 4.91 0.00 1.54 1.61 0.00 1.46 0.00 0.00 1.38 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.57 1.15 7.81 84 S 8.95 4.93 0.00 3.82 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 85 M 8.48 5.37 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 86 E 9.06 4.91 0.00 2.02 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 2.19 2.29 0.00 87 T 8.87 4.96 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 1.27 0.00 0.00 88 H 9.16 5.31 0.00 3.27 3.17 0.00 5.81 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.22 4.53 2.20 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 1.45 0.79 1.13 0.00 0.00 90 M 8.60 4.41 0.00 1.87 2.13 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.52 0.00 91 H 7.72 4.39 0.00 2.62 2.81 0.00 5.92 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 92 T 8.00 4.20 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 1.19 0.00 0.00 93 F 8.63 4.60 0.00 3.13 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 94 K 8.78 4.18 0.00 1.76 1.92 0.00 1.85 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.46 7.81 95 E 7.81 4.75 0.00 2.12 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 2.31 2.43 0.00 96 D 8.43 4.35 0.00 2.72 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 97 F 6.88 5.03 0.00 3.02 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 98 Y 7.82 4.28 0.00 3.03 2.93 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 99 G 9.36 4.11 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 0.00 0.00 0.00 100 E 7.89 4.42 0.00 2.18 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 2.43 2.53 0.00 101 I 8.21 4.76 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.99 1.00 0.00 0.00 102 L 9.36 4.93 0.00 1.83 1.97 1.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 103 N 9.41 5.60 0.00 2.93 2.58 0.00 0.00 6.36 7.25 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 0.00 104 V 9.82 5.47 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 0.96 0.00 0.00 1.23 0.00 0.00 105 A 9.56 4.52 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 0.00 106 I 8.70 4.27 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.76 0.73 0.00 0.00 107 V 8.43 4.00 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 0.85 0.00 0.00 0.49 0.00 0.00 108 G 6.82 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Y 8.37 4.35 0.00 2.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.31 4.29 0.00 1.52 1.49 0.89 0.69 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 0.00 111 R 6.30 4.37 0.00 1.71 1.82 0.00 2.95 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.43 0.00 112 P 0.00 5.31 0.00 2.13 2.21 0.00 3.32 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.87 0.00 113 E 8.65 4.21 0.00 2.01 1.94 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 2.33 2.41 0.00 114 K 7.98 4.50 0.00 0.88 1.10 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.20 1.50 7.81 115 N 8.16 4.66 0.00 2.58 2.67 0.00 0.00 6.79 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 0.00 116 F 8.47 5.00 0.00 3.01 2.87 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 0.00 117 D 8.69 4.77 0.00 2.79 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 0.00 118 S 7.51 4.61 0.00 4.09 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 0.00 119 L 8.33 3.98 0.00 1.70 1.73 0.92 0.71 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 0.00 120 E 8.18 3.88 0.00 2.01 1.94 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 2.35 2.35 0.00 121 S 8.00 4.11 0.00 4.20 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 0.00 122 L 7.72 2.82 0.00 1.64 1.72 0.82 0.84 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 0.00 123 I 7.94 3.59 1.83 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 1.33 0.80 0.84 0.00 0.00 124 S 7.95 4.00 0.00 3.83 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 0.00 125 A 7.79 3.87 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.52 3.70 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.61 0.83 0.00 0.00 127 Q 8.11 4.03 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 128 G 8.15 3.56 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 0.00 0.00 0.00 129 D 8.30 4.30 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.90 3.64 2.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.74 0.90 0.00 0.00 131 E 8.21 3.91 0.00 1.93 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 2.49 2.42 0.00 132 E 8.47 3.80 0.00 2.03 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 0.00 2.19 2.17 0.00 133 A 8.19 3.37 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 K 7.74 3.77 0.00 1.86 1.84 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.60 7.81 135 K 7.65 4.10 0.00 1.82 1.80 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.57 7.81 136 R 7.75 3.99 0.00 1.05 1.62 0.00 2.64 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 137 L 7.63 4.40 0.00 1.45 1.33 0.44 0.43 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 0.00 138 E 7.86 4.36 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 139 L 7.69 4.22 0.00 1.95 1.55 1.14 1.03 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 0.00 140 P 0.00 4.32 0.00 2.14 2.13 0.00 3.59 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 141 E 8.04 3.96 0.00 1.89 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 1.67 1.47 0.00 142 Y 7.56 5.00 0.00 3.27 3.22 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 0.00 143 L 8.65 4.44 0.00 2.07 1.80 1.27 0.31 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 0.00 144 K 8.03 4.05 0.00 2.04 2.10 0.00 1.40 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.65 1.57 7.81 145 I 7.95 4.00 2.40 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.96 1.29 0.00 0.00 146 K 6.99 2.99 0.00 0.79 1.26 0.00 1.01 0.00 0.00 1.30 0.00 0.00 2.74 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.87 0.38 7.81 147 E 7.59 4.38 0.00 2.06 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 2.19 2.39 0.00 148 D 7.78 4.56 0.00 3.04 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 0.00 149 N 8.78 4.38 0.00 2.72 2.81 0.00 0.00 6.63 8.13 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 0.00 150 F 8.31 3.85 0.00 2.39 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 F 8.06 4.32 0.00 3.34 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 0.00 152 Q 8.04 4.15 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 153 V 7.78 3.58 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 0.72 0.00 0.00 0.79 0.00 0.00 154 S 7.69 4.20 0.00 4.01 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 0.00 155 K 7.63 4.17 0.00 1.69 1.69 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.55 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.