NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1076 8.1633 120.7361 55.2076 33.9998 173.7717 2 R 5.0004 9.0403 121.8539 51.9289 33.4090 170.0187 3 V 5.0090 8.7737 122.5106 60.0033 35.6951 174.0105 4 V 4.9168 8.8720 123.9547 61.4978 33.6597 174.0922 5 I 4.9821 9.1594 129.6401 59.7489 39.5661 174.6963 6 Q 5.1726 8.9043 125.9468 53.8520 32.1778 174.8721 7 R 4.4550 8.7140 124.9127 56.3495 31.2775 175.6485 8 V 5.0439 8.9152 118.8230 59.7829 35.5882 176.3981 9 K 4.6139 8.3786 121.4180 56.1634 32.8228 177.0269 10 G 4.3514 7.5448 107.1353 45.5545 0.0000 172.0559 11 A 5.2022 8.2348 121.9676 50.4612 23.1562 175.2778 12 I 4.6115 9.1306 123.8968 59.4116 40.1120 174.3136 13 L 5.1408 9.4223 130.9085 53.2760 44.0116 175.3311 14 S 5.2556 9.2949 120.5810 56.7203 66.9527 173.0799 15 V 4.8934 8.3902 113.3146 59.5017 35.9441 174.6161 16 R 4.3397 8.5062 120.5279 56.3753 30.3851 176.1106 17 K 3.8172 9.6840 128.2629 58.7311 32.1139 177.9614 *25 K 4.1149 8.0222 121.1755 54.5941 34.0177 178.1867 26 E 4.1444 8.6661 124.3454 57.9849 30.0469 176.5388 27 L 4.9243 7.7628 118.4887 54.2188 42.8407 176.4473 28 E 4.7284 9.2089 121.3933 54.1711 32.5503 175.2579 29 I 4.4108 8.6508 125.4366 61.6942 37.2700 175.7421 30 I 4.5797 8.6406 118.5481 60.6863 39.4825 175.5425 31 S 4.7819 7.8805 116.8023 57.3354 65.5896 172.7236 32 E 5.3884 8.5429 123.3304 55.3128 32.3211 174.0178 33 I 4.7923 8.6534 114.0780 58.5532 41.4575 175.2979 34 K 4.5867 9.0126 127.5508 55.7942 30.6816 177.7675 35 N 4.5389 8.5805 124.4281 53.7528 39.6852 174.0858 36 G 4.4237 7.0232 109.4833 45.8818 0.0000 171.8061 37 L 5.2831 8.7313 123.6812 52.9054 45.9749 175.2495 38 I 4.5600 8.3593 123.4778 59.6411 40.0488 173.9478 39 C 5.0317 8.8001 127.2756 58.0071 31.0520 173.4041 40 F 4.8935 9.2402 125.1688 56.5613 39.7369 174.9686 41 L 5.0884 9.6507 128.3532 53.4235 43.8816 175.1972 42 G 4.4972 9.4416 115.2548 44.9986 0.0000 171.8690 43 I 5.1666 8.7575 126.6049 60.0868 39.3665 175.1807 44 H 3.9334 10.1284 127.9200 54.7974 30.7852 175.9014 45 K 3.6577 7.6304 124.3786 59.5798 31.8415 178.3084 46 N 4.8620 7.8821 112.3074 52.8822 38.8278 174.5885 47 D 4.4260 7.7894 119.5177 54.7144 40.9091 176.5985 48 T 4.6132 8.7237 114.7549 59.7380 71.2208 175.2151 49 W 4.6254 8.7978 129.3883 60.3548 30.6475 177.4710 50 E 3.9274 8.3098 118.2549 58.9858 29.1103 178.6414 51 D 4.3666 7.9736 118.7762 57.2730 40.9181 178.5326 52 A 3.8759 7.9512 120.7750 55.0889 18.3799 179.4979 53 L 3.4274 7.3356 117.5181 57.7548 41.5728 179.2171 54 Y 3.8725 7.7642 119.0540 60.5114 38.6689 177.8222 55 I 3.6954 7.6278 120.3243 64.5461 37.3665 178.3755 56 I 2.9678 7.4052 120.4311 64.0298 36.9000 178.4072 57 R 3.7132 7.6769 119.3005 59.4192 29.8255 178.8121 58 K 3.8347 7.7532 118.1060 59.4945 31.8022 179.0796 59 C 4.1485 8.1385 116.2773 63.0683 28.7101 175.9794 60 L 4.2505 8.1031 119.6997 56.4196 41.1297 178.0410 61 N 4.7195 7.5992 113.2425 52.6903 40.4774 175.0398 62 L 4.0048 8.2128 120.5090 55.0790 41.9601 176.8134 63 R 4.7568 8.4748 123.4053 55.1386 28.8034 175.8704 64 L 4.9842 8.4675 119.8842 54.0230 43.2344 176.6213 65 W 4.7190 8.2277 119.7411 54.5287 31.3108 175.1313 66 N 4.7961 8.5541 119.5722 53.3511 39.1180 175.5713 67 N 4.7081 8.8579 122.4064 52.5444 39.2177 176.4346 68 D 4.4043 8.7182 124.0122 54.7477 41.1395 174.2452 69 N 4.4797 9.3291 115.4000 54.9615 38.8497 176.4144 70 K 4.2290 8.0675 120.2170 55.7956 32.6811 176.2560 71 T 4.5531 8.4249 114.1652 61.2226 70.7499 174.3461 72 W 3.7899 7.7032 121.5407 58.3482 27.2147 173.9877 73 D 4.8599 8.8881 117.9653 55.0291 42.9806 177.4150 74 K 4.8487 8.1202 116.8543 54.5293 35.8410 176.1409 75 N 5.6313 8.5199 121.6609 51.3115 39.8910 176.3814 76 V 3.4609 8.6859 111.0581 64.6817 31.6798 178.8652 77 K 3.4635 7.1877 116.0575 59.3339 31.5359 179.0737 78 D 4.3136 8.4188 118.7073 56.6424 40.7900 177.8956 79 L 4.0190 6.7121 114.6465 53.1354 41.8161 175.9174 80 N 4.3212 7.2609 114.9459 54.0856 37.7952 173.6118 81 Y 4.8733 7.7366 114.0529 57.1513 39.5206 174.4314 82 E 5.0358 8.8584 119.4344 54.9686 33.0349 175.3945 83 L 5.1503 8.9543 121.0765 52.9045 45.5847 175.4062 84 L 4.9647 9.0172 125.9560 53.4937 44.1513 174.9993 85 I 4.7530 8.4036 128.5069 59.8055 38.5423 175.4449 86 V 4.4589 8.4755 128.0075 60.7418 34.0166 174.6237 87 S 4.7812 8.6590 123.1530 58.7243 63.1597 173.9118 88 Q 4.4840 9.7922 126.3770 53.7840 30.2063 175.6536 89 F 4.5453 8.7574 120.0229 59.4309 38.6264 178.2035 90 T 3.8856 6.8344 111.0417 63.6707 68.6122 176.0611 91 L 3.9328 7.5503 121.7220 57.1835 41.6639 177.6598 92 F 4.7196 8.3118 116.5244 56.9895 38.8696 175.9062 93 G 3.3241 8.1166 111.0771 45.3463 0.0000 173.6727 94 N 4.4220 9.1743 126.9822 53.3992 38.9636 175.1963 95 T 4.5995 8.3068 114.7530 61.4142 69.3739 175.3660 96 K 4.0960 8.0033 123.6512 59.6875 32.4452 178.7046 97 K 4.1521 8.1417 118.6708 58.8269 33.0162 175.8754 98 G 3.8344 7.5105 109.3009 45.2179 0.0000 172.6310 99 N 4.6981 8.8689 121.6552 52.6894 39.3595 174.0585 100 K 4.3829 7.6752 120.3189 53.8374 32.8002 173.9621 101 P 4.6951 0.0000 0.0000 61.6231 32.2017 175.6680 102 D 4.7208 8.0347 121.4872 51.6591 41.9976 176.2279 103 F 5.1828 8.0290 117.9204 57.7375 39.8269 176.4502 104 H 4.6468 8.1881 117.0975 57.1352 29.0876 176.4154 105 L 4.2469 7.8347 120.5219 55.3173 42.9615 175.7372 106 A 4.2724 7.3322 118.7177 51.3051 19.1298 177.4742 107 K 4.0308 8.7237 122.5123 55.9965 33.2634 176.5038 108 E 3.9586 8.9740 127.0982 56.5310 30.4872 175.8469 109 P 4.3145 0.0000 0.0000 65.9180 31.6234 178.3256 110 N 4.4115 8.4484 114.9342 56.1360 38.5692 176.8711 111 E 4.0648 8.7191 120.2858 58.5024 29.7341 178.4210 112 A 4.2045 8.4261 121.5930 54.8445 18.3587 179.3103 113 L 2.5801 7.8234 118.8472 57.9049 42.1080 179.0832 114 I 3.6637 7.1797 119.1212 64.6256 37.2481 178.2288 115 F 4.2919 8.3499 121.2804 61.3651 39.2054 176.5343 116 Y 4.1876 8.6584 119.7471 60.8952 38.6387 177.7881 117 N 4.2769 8.5300 117.6223 56.0560 38.5743 177.5254 118 K 3.8575 8.0255 120.0330 59.5156 32.0244 179.3698 119 I 3.7395 7.5992 119.5788 64.4668 37.1052 178.6100 120 I 3.7958 7.6179 120.6200 64.4228 36.8980 178.1560 121 D 4.3884 8.2393 119.8252 57.5093 40.5871 178.6024 122 E 4.0703 8.4025 119.7554 59.0758 29.5902 178.6962 123 F 4.1881 8.4944 118.3229 60.6823 38.7760 177.8217 124 K 4.1061 7.9879 116.6883 59.0188 31.9177 179.1263 125 K 4.1142 8.0302 119.2268 59.8191 32.3098 178.7801 126 Q 4.2378 8.3885 116.8115 56.0942 28.5461 176.2505 127 Y 4.8292 8.4876 116.2271 57.2317 39.3445 176.0706 128 N 4.9424 8.7406 113.3107 51.8677 42.7289 173.7521 129 D 4.3847 8.6855 125.0707 56.0096 39.7128 176.9680 130 D 4.4914 7.3989 116.4921 54.2812 40.1071 177.1799 131 K 4.1101 7.5002 118.4570 56.8855 32.5636 175.6697 132 I 4.8250 7.4167 120.0899 59.3834 38.8193 175.1407 133 K 4.8545 9.2838 126.5413 54.4865 35.8296 175.0277 134 I 5.1871 8.3072 114.8870 59.0638 40.9365 175.7947 135 G 4.0888 8.7325 111.2132 45.6082 0.0000 175.5219 136 K 4.4450 8.3665 124.8948 53.9419 33.0762 174.9790 137 F 3.9634 8.7308 126.0043 59.7121 39.5408 175.8769 138 G 3.8899 7.9144 114.8720 45.5040 0.0000 173.0454 139 N 4.9260 7.5174 116.2298 51.2045 40.4942 174.2766 140 Y 4.0959 8.4591 121.7239 58.2216 39.4623 175.3185 141 M 4.8970 7.2657 124.9348 53.4476 36.2166 174.0401 142 N 4.6987 9.1237 121.8764 52.1808 40.9178 173.6229 143 I 4.9113 8.2316 127.0645 59.5251 39.9019 175.3562 144 D 4.5842 9.1084 129.2865 53.9197 41.4999 175.8300 145 V 4.6137 8.3156 124.1478 61.4722 33.6168 175.7887 146 T 4.3955 8.8607 126.1200 62.1831 68.2842 172.9882 147 N 4.7124 8.5415 123.3144 53.2996 39.8232 174.4079 148 D 4.3765 10.3289 124.8854 55.6160 41.4023 174.5161 149 G 3.6553 8.9083 116.4988 44.8160 0.0000 170.9374 150 P 4.5567 0.0000 0.0000 60.8974 32.7048 175.5914 151 V 4.4676 8.1416 117.9110 61.5060 34.3086 174.0497 152 T 5.2141 8.6985 124.1441 61.9051 71.3391 173.3401 153 I 4.5943 9.1442 127.6236 59.5289 40.2163 173.9830 154 Y 5.2713 8.6380 126.6530 55.9107 41.3472 174.6541 155 I 4.4193 7.8933 126.0038 59.3991 41.7843 173.8043 156 D 5.0251 8.2812 125.4424 52.3548 43.2091 176.0833 157 T 3.8605 8.8019 118.1617 64.8649 68.7630 175.8578 158 H 4.3375 8.1497 117.3086 57.5192 28.7402 175.5715 159 D 4.6545 8.2732 118.8084 54.4965 41.2421 176.5951 160 I 3.9538 7.5314 125.8456 61.2545 37.3142 175.2711 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 8.16 5.11 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.04 5.00 0.00 1.40 1.69 0.00 2.48 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.20 0.00 3 V 8.77 5.01 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 0.73 0.00 0.00 1.07 0.00 0.00 4 V 8.87 4.92 2.30 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 1.19 0.00 0.00 1.11 0.00 0.00 5 I 9.16 4.98 1.90 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 1.27 0.56 0.92 0.00 0.00 6 Q 8.90 5.17 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 7 R 8.71 4.46 0.00 1.61 1.77 0.00 2.21 0.00 0.00 2.45 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.74 0.00 8 V 8.92 5.04 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 0.75 0.00 0.00 1.02 0.00 0.00 9 K 8.38 4.61 0.00 1.62 1.83 0.00 1.93 0.00 0.00 1.90 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.38 7.81 10 G 7.54 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 0.00 0.00 0.00 0.00 11 A 8.23 5.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 9.13 4.61 1.88 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 1.24 0.73 0.92 0.00 0.00 13 L 9.42 5.14 0.00 1.65 1.65 0.91 0.49 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 14 S 9.29 5.26 0.00 3.95 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 15 V 8.39 4.89 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 0.85 0.00 0.00 0.97 0.00 0.00 16 R 8.51 4.34 0.00 1.73 1.86 0.00 3.11 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 17 K 9.68 3.82 0.00 1.72 1.67 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.52 7.81 *25 K 8.02 4.11 0.00 1.80 1.65 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 26 E 8.67 4.14 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 2.37 2.32 0.00 27 L 7.76 4.92 0.00 1.61 1.62 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.21 4.73 0.00 1.98 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 0.00 2.19 2.28 0.00 29 I 8.65 4.41 1.88 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 1.41 0.55 0.94 0.00 0.00 30 I 8.64 4.58 1.89 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 1.13 0.69 0.97 0.00 0.00 31 S 7.88 4.78 0.00 3.92 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 32 E 8.54 5.39 0.00 2.02 1.85 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 2.18 2.30 0.00 33 I 8.65 4.79 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.86 0.89 0.00 0.00 34 K 9.01 4.59 0.00 1.75 1.32 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.37 7.81 35 N 8.58 4.54 0.00 1.44 1.45 0.00 0.00 6.69 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 36 G 7.02 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.73 5.28 0.00 1.62 1.55 1.08 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.36 4.56 1.73 0.00 0.00 0.68 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 1.34 0.89 0.00 0.00 39 C 8.80 5.03 0.00 2.75 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 40 F 9.24 4.89 0.00 2.99 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 41 L 9.65 5.09 0.00 1.88 1.81 1.22 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.44 4.50 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 0.00 0.00 0.00 43 I 8.76 5.17 2.18 0.00 0.00 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 1.77 1.00 1.12 0.00 0.00 44 H 10.13 3.93 0.00 2.93 3.36 0.00 5.61 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 45 K 7.63 3.66 0.00 1.38 1.73 0.00 1.68 0.00 0.00 1.61 0.00 0.00 3.21 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.56 7.81 46 N 7.88 4.86 0.00 2.79 2.83 0.00 0.00 6.92 8.06 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 47 D 7.79 4.43 0.00 2.66 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 48 T 8.72 4.61 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 49 W 8.80 4.63 0.00 3.53 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.31 3.93 0.00 2.06 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 2.49 2.38 0.00 51 D 7.97 4.37 0.00 3.05 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 52 A 7.95 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.34 3.43 0.00 1.47 1.51 0.34 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.76 3.87 0.00 3.13 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 55 I 7.63 3.70 1.98 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 1.82 0.92 1.01 0.00 0.00 56 I 7.41 2.97 1.35 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.35 0.36 0.00 0.00 57 R 7.68 3.71 0.00 1.76 1.84 0.00 2.99 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.53 0.00 58 K 7.75 3.83 0.00 1.62 1.70 0.00 1.59 0.00 0.00 1.45 0.00 0.00 2.58 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.75 1.06 7.81 59 C 8.14 4.15 0.00 3.25 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 60 L 8.10 4.25 0.00 1.77 1.63 1.03 0.71 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 61 N 7.60 4.72 0.00 2.77 2.78 0.00 0.00 7.02 7.32 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 62 L 8.21 4.00 0.00 1.76 1.62 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.47 4.76 0.00 1.91 2.12 0.00 3.21 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.90 0.00 64 L 8.47 4.98 0.00 0.97 1.49 0.81 0.99 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 65 W 8.23 4.72 0.00 3.61 2.96 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 66 N 8.55 4.80 0.00 2.65 2.74 0.00 0.00 6.80 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 67 N 8.86 4.71 0.00 2.73 2.76 0.00 0.00 6.68 8.52 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 68 D 8.72 4.40 0.00 2.83 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 9.33 4.48 0.00 2.87 2.93 0.00 0.00 5.98 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.07 4.23 0.00 1.96 1.80 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.53 7.81 71 T 8.42 4.55 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 1.12 0.00 0.00 72 W 7.70 3.79 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 73 D 8.89 4.86 0.00 2.77 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 74 K 8.12 4.85 0.00 1.77 1.61 0.00 1.64 0.00 0.00 1.98 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.31 7.81 75 N 8.52 5.63 0.00 3.00 3.25 0.00 0.00 6.87 8.07 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 76 V 8.69 3.46 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 1.11 0.00 0.00 1.09 0.00 0.00 77 K 7.19 3.46 0.00 1.74 1.55 0.00 1.43 0.00 0.00 1.37 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 1.02 7.81 78 D 8.42 4.31 0.00 2.67 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 79 L 6.71 4.02 0.00 0.27 0.13 0.19 0.69 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 80 N 7.26 4.32 0.00 2.80 2.84 0.00 0.00 7.17 6.85 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 81 Y 7.74 4.87 0.00 2.59 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 82 E 8.86 5.04 0.00 1.94 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 2.23 2.29 0.00 83 L 8.95 5.15 0.00 1.44 1.29 1.11 0.33 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 84 L 9.02 4.96 0.00 1.63 1.41 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.40 4.75 1.85 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.44 1.03 0.00 0.00 86 V 8.48 4.46 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 0.98 0.00 0.00 0.83 0.00 0.00 87 S 8.66 4.78 0.00 3.74 3.35 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 88 Q 9.79 4.48 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.42 2.66 0.00 89 F 8.76 4.55 0.00 3.32 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 90 T 6.83 3.89 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 0.10 0.00 0.00 91 L 7.55 3.93 0.00 1.56 1.53 1.01 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.31 4.72 0.00 3.39 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.12 3.32 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 0.00 94 N 9.17 4.42 0.00 2.75 2.88 0.00 0.00 6.42 7.14 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 95 T 8.31 4.60 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 96 K 8.00 4.10 0.00 1.82 1.89 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.35 7.81 97 K 8.14 4.15 0.00 1.68 1.81 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.49 7.81 98 G 7.51 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 99 N 8.87 4.70 0.00 2.69 2.81 0.00 0.00 6.56 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 0.00 100 K 7.68 4.38 0.00 1.69 1.70 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.46 7.81 101 P 0.00 4.70 0.00 1.54 1.70 0.00 3.77 0.00 0.00 4.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 102 D 8.03 4.72 0.00 2.65 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 0.00 103 F 8.03 5.18 0.00 3.14 3.29 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 0.00 104 H 8.19 4.65 0.00 3.15 3.35 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.83 4.25 0.00 1.82 1.75 0.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.33 4.27 1.50 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 0.00 0.00 107 K 8.72 4.03 0.00 1.95 1.76 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.52 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.28 7.81 108 E 8.97 3.96 0.00 2.04 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 2.37 2.29 0.00 109 P 0.00 4.31 0.00 2.24 2.10 0.00 3.62 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 2.08 2.12 0.00 110 N 8.45 4.41 0.00 3.18 2.87 0.00 0.00 6.63 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 0.00 111 E 8.72 4.06 0.00 2.21 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 2.31 2.33 0.00 112 A 8.43 4.20 1.71 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 0.00 0.00 113 L 7.82 2.58 0.00 1.10 1.61 0.54 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 0.00 114 I 7.18 3.66 2.06 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.65 0.96 0.00 0.00 115 F 8.35 4.29 0.00 3.25 3.36 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 0.00 116 Y 8.66 4.19 0.00 3.26 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 0.00 117 N 8.53 4.28 0.00 2.89 2.83 0.00 0.00 7.07 8.25 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 0.00 118 K 8.03 3.86 0.00 1.91 1.53 0.00 1.46 0.00 0.00 0.94 0.00 0.00 2.69 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.24 1.55 7.81 119 I 7.60 3.74 1.95 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 0.58 0.94 0.00 0.00 120 I 7.62 3.80 1.84 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.93 0.87 0.00 0.00 121 D 8.24 4.39 0.00 2.85 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 0.00 122 E 8.40 4.07 0.00 2.52 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 123 F 8.49 4.19 0.00 3.37 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 0.00 124 K 7.99 4.11 0.00 1.95 1.88 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.67 7.81 125 K 8.03 4.11 0.00 1.97 2.04 0.00 1.82 0.00 0.00 1.94 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.51 7.81 126 Q 8.39 4.24 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 127 Y 8.49 4.83 0.00 2.95 2.74 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 0.00 128 N 8.74 4.94 0.00 2.22 1.91 0.00 0.00 6.64 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 0.00 129 D 8.69 4.38 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 0.00 130 D 7.40 4.49 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 0.00 131 K 7.50 4.11 0.00 1.15 1.55 0.00 1.89 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.05 0.76 7.81 132 I 7.42 4.83 1.84 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.92 0.77 0.00 0.00 133 K 9.28 4.85 0.00 1.54 1.64 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.30 1.46 7.81 134 I 8.31 5.19 2.11 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.75 0.97 0.00 0.00 135 G 8.73 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 0.00 136 K 8.37 4.45 0.00 1.78 1.79 0.00 1.77 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.36 7.81 137 F 8.73 3.96 0.00 2.78 2.92 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 0.00 138 G 7.91 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 0.00 139 N 7.52 4.93 0.00 2.95 2.79 0.00 0.00 6.90 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 0.00 140 Y 8.46 4.10 0.00 2.94 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 0.00 141 M 7.27 4.90 0.00 1.77 1.72 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 142 N 9.12 4.70 0.00 2.99 2.75 0.00 0.00 6.88 7.36 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 0.00 143 I 8.23 4.91 1.93 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 1.32 0.75 0.92 0.00 0.00 144 D 9.11 4.58 0.00 2.68 2.64 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 0.00 145 V 8.32 4.61 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.02 0.00 0.00 146 T 8.86 4.40 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 1.22 0.00 0.00 147 N 8.54 4.71 0.00 2.62 2.78 0.00 0.00 6.99 8.06 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 0.00 148 D 10.33 4.38 0.00 2.76 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.91 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.56 0.00 2.21 2.08 0.00 3.32 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 1.99 1.91 0.00 151 V 8.14 4.47 2.02 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 1.18 0.00 0.00 0.96 0.00 0.00 152 T 8.70 5.21 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 1.26 0.00 0.00 153 I 9.14 4.59 1.88 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 1.11 1.01 0.90 0.00 0.00 154 Y 8.64 5.27 0.00 2.91 2.81 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 0.00 155 I 7.89 4.42 1.79 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.63 1.00 0.00 0.00 156 D 8.28 5.03 0.00 2.53 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 0.00 157 T 8.80 3.86 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 1.28 0.00 0.00 158 H 8.15 4.34 0.00 3.28 3.38 0.00 5.66 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 8.27 4.65 0.00 2.74 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 0.00 160 I 7.53 3.95 1.54 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 0.81 0.32 0.47 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.