NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 E 4.3537 8.4449 118.7972 56.1209 30.9359 174.0700 12 K 4.5458 8.0129 117.0873 53.6719 36.0071 175.0849 13 L 4.1743 9.0789 121.9622 54.9986 43.0148 177.9752 14 L 4.3705 8.1922 123.1222 53.5152 40.2645 175.4462 15 T 4.6662 7.8733 115.6254 59.7530 70.2397 173.4815 16 V 4.2964 8.1074 125.5584 61.1035 34.5296 174.1540 17 D 4.6483 8.5248 126.8858 52.5322 41.0623 176.6541 18 T 2.4800 8.0389 117.8298 63.3289 68.8751 175.1909 19 T 4.3409 8.1103 111.1023 61.8565 69.2582 175.1521 20 A 4.3737 7.9091 124.7170 53.5637 19.3850 176.8637 21 H 5.0050 7.8673 111.1590 53.4127 32.9243 171.4189 22 P 4.7915 0.0000 0.0000 62.4083 32.1155 176.1464 23 F 4.3946 8.8284 117.8349 57.3044 39.9893 175.3150 24 L 4.3408 8.7024 122.2994 54.9421 42.5863 176.3194 25 K 4.8287 9.1025 123.2018 55.6905 33.5326 176.6318 26 A 4.2247 8.7803 125.8092 51.4221 16.0794 176.4874 27 L 2.4400 8.2526 124.0057 55.5685 42.9008 177.3154 28 G 3.8314 7.3814 113.3770 46.4049 0.0000 173.9743 29 G 3.8376 8.3795 104.9842 45.7519 0.0000 174.3997 30 H 4.6838 7.9968 118.5527 54.0215 28.2787 174.7354 31 E 4.1472 8.6197 124.5959 58.1367 30.0562 177.5054 32 G 3.9580 9.2004 110.7722 45.1705 0.0000 172.5252 33 T 4.0934 7.6697 116.0298 62.3247 69.5431 173.3397 34 D 5.5515 8.4793 126.9942 52.3348 44.2003 175.7440 35 I 5.1767 8.7911 114.2245 59.2422 41.7025 173.9777 36 F 4.5054 8.5237 125.9974 55.3938 40.9901 173.0254 37 P 4.3717 0.0000 0.0000 62.7547 32.2094 175.0665 38 L 4.6412 8.5802 118.7350 55.9447 43.7241 176.1482 39 F 5.6692 7.9215 116.0191 55.9927 42.8596 173.8172 *41 D 4.2889 8.2289 120.5456 53.2986 39.5685 173.5882 42 P 4.0497 0.0000 0.0000 64.5198 31.8139 178.4310 43 Y 4.5508 7.4633 114.9072 60.0617 38.2786 176.2211 44 N 4.5204 9.0841 116.0895 53.3329 39.8076 174.2333 45 G 3.5738 8.3009 106.8823 45.0803 0.0000 171.0778 46 L 5.2347 8.1696 119.5581 54.0951 46.4193 174.2616 *48 V 4.2084 7.9174 118.3978 62.7005 32.9847 174.0312 *50 R 4.5744 8.2902 124.9165 56.3170 31.5752 173.8403 51 A 5.2142 9.2124 126.1859 50.3332 23.4949 174.8829 52 S 4.9399 8.7684 114.5310 56.6320 65.4281 172.6762 53 F 5.9500 9.4854 126.1485 54.8687 41.5473 175.6780 54 A 4.7327 8.6996 124.7046 50.6803 19.6042 175.2297 55 P 4.2828 0.0000 0.0000 63.0935 32.3523 176.5966 56 G 3.8818 8.2348 108.3257 46.8627 0.0000 173.5669 57 L 4.7896 7.9217 118.6173 53.1761 44.5728 176.5417 58 T 4.7928 8.2035 117.5155 62.0040 71.3657 173.8150 59 L 4.3729 8.7410 127.1904 53.3176 43.0878 175.1082 60 P 4.5747 0.0000 0.0000 61.7604 32.4521 176.5324 61 L 4.2707 8.4047 121.0623 55.4977 42.7787 176.0664 62 H 5.2900 8.8606 120.7471 53.9365 32.3327 172.4154 63 F 4.9867 9.7359 127.3041 57.3174 40.7862 173.9203 64 H 5.3456 8.0878 123.4142 54.0125 29.4662 175.7899 65 T 3.8827 9.1085 115.4194 63.8051 70.1245 174.0406 66 G 4.5429 8.0483 108.1399 42.9147 0.0000 172.4983 67 T 4.5057 8.3875 109.1911 61.6316 70.4271 173.6433 68 V 4.7530 8.4939 123.0766 61.5590 34.7054 174.0805 69 H 5.3507 8.8809 123.5318 54.1017 33.1198 172.1785 *71 Y 5.0556 8.1657 120.4469 58.1473 40.2750 173.6821 72 T 4.8352 8.3591 124.1106 63.0933 69.5535 175.6602 73 I 4.0323 8.9937 128.2669 63.6549 38.3169 176.2522 74 S 4.4898 7.9309 115.4133 58.0704 67.4029 174.9668 75 G 4.0310 10.2722 107.5755 45.8674 0.0000 172.1163 76 C 5.0580 8.6897 121.5294 58.3032 35.1656 173.9473 77 W 5.3234 8.4709 122.0564 55.9229 31.8874 172.5815 78 Y 4.5477 8.2863 117.0670 56.1055 41.3731 172.9662 79 Y 5.3387 8.4817 117.9794 57.2694 39.1867 176.9603 80 T 3.8653 8.7490 121.7825 67.0760 68.7657 174.8805 81 E 4.1189 8.3035 118.4719 57.6679 30.7393 175.6618 82 Y 4.9557 8.7714 117.5013 56.0778 38.5656 174.7025 83 P 4.1912 0.0000 0.0000 65.2072 32.1175 178.5265 84 G 3.6443 8.0290 106.5964 47.1396 0.0000 173.8042 85 Q 4.4730 7.6529 122.0032 54.8244 28.1035 176.3488 86 K 4.0408 7.5143 121.5553 55.4179 33.4354 178.7624 87 Q 4.3758 8.2417 123.1865 53.9062 31.0015 175.0757 88 T 5.2623 8.1438 112.0424 58.0403 73.3376 172.5948 89 A 4.1534 8.5775 123.3020 54.4661 18.2851 177.9924 90 G 4.1822 8.7163 111.3323 45.1489 0.0000 172.6895 91 C 4.5897 7.5976 118.1801 58.6186 29.7922 172.0097 92 Y 5.2150 8.6912 124.1726 55.8378 40.8178 174.3963 93 L 4.5009 7.6155 126.4504 53.2885 45.2884 174.3881 94 Y 4.7141 8.4356 126.8457 55.6853 41.0018 174.0487 95 E 4.3891 8.2192 127.5313 53.3756 32.3246 173.5576 96 P 4.4784 0.0000 0.0000 62.0863 32.6387 176.0851 97 G 3.6870 7.7682 107.2503 45.6139 0.0000 174.0856 98 G 3.8727 8.5818 108.9885 44.5973 0.0000 172.9192 99 S 4.6722 6.9622 113.4395 56.0630 66.9038 172.1398 100 I 4.9659 8.1518 119.8808 59.3980 39.8610 174.0304 101 H 5.1113 8.8145 123.6073 52.5595 32.5811 172.1483 102 Q 4.6310 8.5991 119.5618 54.3366 32.0680 173.6116 103 F 4.7651 8.9371 129.5519 57.9665 41.0036 173.8460 104 N 5.3378 7.9982 122.3903 51.4565 43.1831 173.2389 105 T 4.7993 8.4605 112.4658 59.0004 71.3791 171.8676 106 P 4.6176 0.0000 0.0000 62.7284 32.0692 177.9093 107 R 4.0682 8.8643 121.8059 58.8748 30.1955 177.2826 108 D 4.7127 7.9481 115.0969 52.9926 39.9712 176.3217 109 N 4.4545 7.7721 118.0646 54.1714 39.0423 174.6127 110 E 4.4882 8.8298 120.4628 56.9533 31.6516 176.8599 111 G 4.2491 7.7468 108.4020 45.5611 0.0000 172.0445 112 Q 4.8152 8.5970 122.6105 54.8953 31.0293 175.2114 113 T 4.8415 8.9230 119.3160 62.1410 70.9603 173.3420 114 E 5.3321 9.0606 125.9991 54.7807 32.5203 175.6587 115 V 5.2066 9.0723 116.0521 59.8245 36.7034 174.1467 116 I 4.9628 9.1292 122.7490 59.5714 40.5937 175.0876 117 F 5.2367 7.7858 122.9235 56.5863 39.9123 172.5836 *119 L 4.3151 8.4333 120.4867 55.3381 42.9153 176.3755 120 S 4.9650 8.8987 122.0467 58.0567 65.2521 175.4714 121 G 3.9864 9.0634 111.0104 44.6704 0.0000 171.5117 122 C 5.0395 8.6754 113.9706 56.6682 34.1749 172.8120 123 N 5.3338 9.3046 116.6301 51.6378 40.2918 174.4313 124 V 4.2729 9.2091 125.5175 61.9593 33.2752 174.3942 125 N 5.3234 8.5041 125.5634 52.1266 40.4028 174.2123 126 F 5.5076 8.4143 119.5049 56.1959 43.8142 174.1419 127 T 4.4781 8.5564 112.6872 60.5241 70.7076 176.4457 128 Q 4.0114 8.7530 120.0502 58.2539 27.9110 176.0382 129 D 4.6885 8.1358 115.4304 53.0806 39.4518 176.7509 130 G 3.8576 8.3908 106.6939 46.8171 0.0000 174.1167 131 T 4.2125 7.9956 117.2763 62.6284 69.0503 173.6019 132 Y 4.2095 8.7307 127.4951 57.8801 39.0658 175.0168 133 L 3.9382 7.9028 128.2483 56.1485 42.4603 177.1035 134 G 3.6410 6.0384 102.7750 46.2635 0.0000 171.0152 135 L 5.1481 8.4318 121.2796 53.6988 45.7255 177.0364 136 S 4.6910 9.2978 121.5501 56.9568 66.5997 172.7714 137 D 5.1768 8.4489 123.5738 50.7234 42.7791 176.5489 138 A 4.1087 8.7415 119.1027 55.1802 18.0278 180.0452 139 G 3.4130 7.9665 103.9711 47.8202 0.0000 175.9693 140 V 3.5761 8.5174 121.4221 65.8489 31.5257 178.1665 141 I 3.7257 7.7565 119.4830 64.2017 36.8139 178.3127 142 K 3.8619 8.1236 120.4634 59.5448 32.0586 178.4989 143 N 4.3103 8.1895 116.7597 56.0275 38.3875 177.1041 144 W 3.9336 8.1261 129.4170 60.4508 30.8077 177.9407 145 V 3.5980 8.3312 118.5314 66.3697 30.4451 177.7506 146 D 4.3548 8.3738 118.9428 57.2553 40.6377 178.8382 147 R 3.9534 7.8451 116.0584 58.6276 29.6560 178.6905 148 A 3.5398 7.6357 122.0742 54.6458 18.1330 179.5850 149 I 3.5862 7.7700 121.0306 65.0695 37.1378 179.4977 150 R 3.8565 7.4794 120.1149 61.6175 29.1839 180.5961 151 E 4.0836 8.2281 118.6918 58.7294 29.5507 178.2152 152 Q 4.2724 7.9413 114.9291 54.7711 29.3744 174.6614 153 D 4.2573 7.6347 116.6774 55.0015 40.1250 172.8122 154 N 4.7127 8.0988 116.0209 52.3732 39.9252 174.2279 155 G 4.0390 8.5558 114.9001 45.5991 0.0000 173.5547 156 L 4.0637 7.6121 119.9787 54.3201 41.6411 175.9506 157 R 4.7430 8.2030 115.1220 54.5831 32.3779 173.3769 158 Y 5.0437 7.7640 116.0122 55.8508 42.1353 173.6640 159 I 4.4451 9.0147 119.9380 59.8710 39.1203 175.2494 160 A 4.7705 8.2389 126.8692 49.9060 21.9928 174.9505 161 A 4.4830 8.2446 122.9615 50.6630 19.9677 177.4456 162 A 4.2602 8.5639 125.5390 51.1995 19.5195 177.5517 163 V 2.7256 7.5879 119.6490 60.2186 32.0722 174.8021 164 P 4.3144 0.0000 0.0000 63.3579 31.7411 175.1941 165 T 4.4424 7.6702 115.5272 62.1035 72.6786 173.2733 166 Y 4.1329 8.1430 119.9802 57.9695 38.2649 176.6853 167 A 4.0666 8.6205 127.0071 51.8954 19.2217 177.3068 168 A 4.1907 8.5801 123.7358 52.5569 18.4083 177.4606 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 11 E 8.44 4.35 0.00 2.09 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 2.17 2.34 0.00 12 K 8.01 4.55 0.00 2.05 1.70 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.09 7.81 13 L 9.08 4.17 0.00 1.64 1.60 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.19 4.37 0.00 1.68 1.69 0.97 0.80 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 15 T 7.87 4.67 4.25 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 1.22 0.00 0.00 16 V 8.11 4.30 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 0.90 0.00 0.00 1.08 0.00 0.00 17 D 8.52 4.65 0.00 2.69 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 18 T 8.04 2.48 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 0.33 0.00 0.00 19 T 8.11 4.34 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 1.23 0.00 0.00 20 A 7.91 4.37 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 21 H 7.87 5.00 0.00 3.33 3.34 0.00 5.70 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 22 P 0.00 4.79 0.00 2.28 2.15 0.00 3.87 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 23 F 8.83 4.39 0.00 2.86 3.09 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 24 L 8.70 4.34 0.00 1.87 1.76 0.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 25 K 9.10 4.83 0.00 1.74 1.80 0.00 2.01 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.61 1.58 7.81 26 A 8.78 4.22 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 27 L 8.25 2.44 0.00 1.12 1.15 -0.47 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.38 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 0.00 0.00 0.00 29 G 8.38 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 0.00 0.00 0.00 30 H 8.00 4.68 0.00 3.24 3.24 0.00 5.66 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.62 4.15 0.00 1.99 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 2.36 2.30 0.00 32 G 9.20 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 33 T 7.67 4.09 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 0.97 0.00 0.00 34 D 8.48 5.55 0.00 2.56 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 35 I 8.79 5.18 1.80 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.90 0.78 0.00 0.00 36 F 8.52 4.51 0.00 1.51 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 37 P 0.00 4.37 0.00 1.62 1.64 0.00 3.22 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 1.73 1.49 0.00 38 L 8.58 4.64 0.00 1.90 1.75 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 39 F 7.92 5.67 0.00 2.95 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 *41 D 8.23 4.29 0.00 2.75 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 42 P 0.00 4.05 0.00 0.99 1.77 0.00 3.26 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 43 Y 7.46 4.55 0.00 3.05 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 44 N 9.08 4.52 0.00 2.92 2.95 0.00 0.00 7.07 7.47 0.00 0.00 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 G 8.30 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.17 5.23 0.00 1.65 1.70 1.02 1.35 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 *48 V 7.92 4.21 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 1.17 0.00 0.00 0.96 0.00 0.00 *50 R 8.29 4.57 0.00 1.94 1.93 0.00 3.50 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.99 0.00 51 A 9.21 5.21 1.06 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 0.00 0.00 52 S 8.77 4.94 0.00 3.44 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 53 F 9.49 5.95 0.00 3.09 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 54 A 8.70 4.73 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 55 P 0.00 4.28 0.00 1.99 2.15 0.00 3.83 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.29 0.00 56 G 8.23 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 57 L 7.92 4.79 0.00 1.73 1.67 1.15 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.20 4.79 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 59 L 8.74 4.37 0.00 1.54 1.56 0.71 1.16 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 60 P 0.00 4.57 0.00 1.88 1.95 0.00 3.56 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 61 L 8.40 4.27 0.00 1.85 1.69 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.86 5.29 0.00 2.89 3.04 0.00 5.60 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 9.74 4.99 0.00 3.36 3.33 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 64 H 8.09 5.35 0.00 3.26 3.42 0.00 5.52 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 9.11 3.88 4.35 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 1.49 0.00 0.00 66 G 8.05 4.54 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 0.00 0.00 0.00 67 T 8.39 4.51 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 1.31 0.00 0.00 68 V 8.49 4.75 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 0.98 0.00 0.00 0.75 0.00 0.00 69 H 8.88 5.35 0.00 3.31 3.50 0.00 5.70 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *71 Y 8.17 5.06 0.00 3.35 3.09 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 72 T 8.36 4.84 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 73 I 8.99 4.03 2.11 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.76 1.02 0.00 0.00 74 S 7.93 4.49 0.00 3.78 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 75 G 10.27 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 0.00 0.00 0.00 76 C 8.69 5.06 0.00 2.96 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 77 W 8.47 5.32 0.00 2.64 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 78 Y 8.29 4.55 0.00 2.85 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 79 Y 8.48 5.34 0.00 3.18 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 80 T 8.75 3.87 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 1.26 0.00 0.00 81 E 8.30 4.12 0.00 1.85 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 82 Y 8.77 4.96 0.00 3.02 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 83 P 0.00 4.19 0.00 1.99 2.08 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 84 G 8.03 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 0.00 0.00 0.00 85 Q 7.65 4.47 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 86 K 7.51 4.04 0.00 1.54 1.60 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.05 7.81 87 Q 8.24 4.38 0.00 0.93 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.53 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 88 T 8.14 5.26 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 1.16 0.00 0.00 89 A 8.58 4.15 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 G 8.72 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 0.00 0.00 0.00 0.00 91 C 7.60 4.59 0.00 2.84 2.88 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 92 Y 8.69 5.21 0.00 3.22 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.62 4.50 0.00 1.64 1.42 0.83 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.44 4.71 0.00 3.03 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 95 E 8.22 4.39 0.00 1.86 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 96 P 0.00 4.48 0.00 2.08 2.11 0.00 3.63 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.99 0.00 97 G 7.77 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 G 8.58 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 99 S 6.96 4.67 0.00 3.80 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 0.00 100 I 8.15 4.97 2.04 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 1.43 1.19 0.93 0.00 0.00 101 H 8.81 5.11 0.00 1.90 2.81 0.00 5.53 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 8.60 4.63 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.13 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 103 F 8.94 4.77 0.00 3.05 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 0.00 104 N 8.00 5.34 0.00 1.44 2.11 0.00 0.00 6.22 6.84 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 0.00 105 T 8.46 4.80 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 1.30 0.00 0.00 106 P 0.00 4.62 0.00 2.35 2.11 0.00 3.92 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 2.18 2.38 0.00 107 R 8.86 4.07 0.00 1.82 2.02 0.00 3.22 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 108 D 7.95 4.71 0.00 2.78 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 0.00 109 N 7.77 4.45 0.00 2.88 2.85 0.00 0.00 6.85 7.70 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 0.00 110 E 8.83 4.49 0.00 1.96 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 2.25 2.29 0.00 111 G 7.75 4.25 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 0.00 112 Q 8.60 4.82 0.00 1.94 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.67 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 113 T 8.92 4.84 4.52 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 0.00 0.00 0.00 1.60 0.00 0.00 114 E 9.06 5.33 0.00 2.04 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 2.26 2.41 0.00 115 V 9.07 5.21 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 0.87 0.00 0.00 1.36 0.00 0.00 116 I 9.13 4.96 2.01 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 1.33 0.86 1.20 0.00 0.00 117 F 7.79 5.24 0.00 3.39 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 *119 L 8.43 4.32 0.00 1.98 1.87 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.90 4.96 0.00 3.99 3.80 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 0.00 121 G 9.06 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 0.00 0.00 0.00 122 C 8.68 5.04 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 0.00 123 N 9.30 5.33 0.00 2.53 2.59 0.00 0.00 7.04 7.74 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 0.00 124 V 9.21 4.27 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 0.75 0.00 0.00 1.08 0.00 0.00 125 N 8.50 5.32 0.00 2.38 2.58 0.00 0.00 6.35 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 0.00 126 F 8.41 5.51 0.00 2.94 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 0.00 127 T 8.56 4.48 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 1.29 0.00 0.00 128 Q 8.75 4.01 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.50 0.00 0.00 0.00 0.00 0.00 2.29 1.94 0.00 129 D 8.14 4.69 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 0.00 130 G 8.39 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 0.00 131 T 8.00 4.21 4.31 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 1.28 0.00 0.00 132 Y 8.73 4.21 0.00 2.91 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 0.00 133 L 7.90 3.94 0.00 1.36 1.49 0.90 0.67 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 0.00 134 G 6.04 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 0.00 0.00 0.00 135 L 8.43 5.15 0.00 1.69 1.51 0.99 0.80 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 0.00 136 S 9.30 4.69 0.00 3.64 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.45 5.18 0.00 2.65 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 0.00 138 A 8.74 4.11 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 G 7.97 3.41 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 0.00 140 V 8.52 3.58 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 1.02 0.00 0.00 1.03 0.00 0.00 141 I 7.76 3.73 1.84 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.78 0.86 0.00 0.00 142 K 8.12 3.86 0.00 1.95 1.94 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.67 1.60 7.81 143 N 8.19 4.31 0.00 3.01 2.87 0.00 0.00 6.67 7.83 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 0.00 144 W 8.13 3.93 0.00 3.41 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 0.00 145 V 8.33 3.60 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 0.59 0.00 0.00 0.96 0.00 0.00 146 D 8.37 4.35 0.00 2.70 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 0.00 147 R 7.85 3.95 0.00 1.91 2.06 0.00 2.65 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.26 0.00 148 A 7.64 3.54 0.22 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 0.00 149 I 7.77 3.59 1.96 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 1.26 0.91 0.91 0.00 0.00 150 R 7.48 3.86 0.00 1.86 1.93 0.00 3.28 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 151 E 8.23 4.08 0.00 1.83 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 2.26 2.18 0.00 152 Q 7.94 4.27 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 153 D 7.63 4.26 0.00 2.73 2.67 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 0.00 154 N 8.10 4.71 0.00 2.66 2.59 0.00 0.00 6.95 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 0.00 155 G 8.56 4.04 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 0.00 156 L 7.61 4.06 0.00 1.66 1.56 0.19 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 157 R 8.20 4.74 0.00 1.83 1.84 0.00 2.96 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 158 Y 7.76 5.04 0.00 3.15 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 0.00 159 I 9.01 4.45 2.20 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 1.04 0.00 0.00 160 A 8.24 4.77 1.03 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 0.00 0.00 161 A 8.24 4.48 1.23 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 0.00 0.00 162 A 8.56 4.26 1.20 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 0.00 0.00 163 V 7.59 2.73 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 0.51 0.00 0.00 0.44 0.00 0.00 164 P 0.00 4.31 0.00 1.94 1.95 0.00 3.42 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 165 T 7.67 4.44 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 1.18 0.00 0.00 166 Y 8.14 4.13 0.00 2.99 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 0.00 167 A 8.62 4.07 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 0.00 168 A 8.58 4.19 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 * Residues marked with a * may have inaccurate shift predictions.