NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 G 3.9726 8.3549 109.7366 45.2030 0.0000 174.1558 -4 S 3.9607 8.6381 114.9401 60.8224 62.8171 173.5439 -3 H 4.3256 8.2912 120.1616 55.8418 30.7295 173.4680 -2 M 4.4624 8.2352 125.9837 53.2546 34.2498 174.4245 -1 A 4.0697 8.5000 129.6805 52.0442 18.4951 176.8895 0 S 4.1176 8.2395 120.6407 61.7850 63.7673 174.7347 *62 T 4.9094 7.2502 116.9250 63.4151 70.8458 174.9556 63 E 3.7761 8.5476 122.5731 59.3209 29.5176 179.4516 64 E 4.1548 8.2601 117.6426 59.6947 29.5338 178.8865 65 D 4.7664 8.1233 119.6847 55.8433 38.2134 178.2573 66 R 4.2928 7.9163 121.6791 58.6832 29.9955 178.5574 67 F 4.3696 8.1654 117.5838 60.7137 39.1438 178.1607 68 S 4.3531 8.7215 116.1775 60.9975 62.8279 176.6321 69 L 4.6315 8.3491 123.1737 58.4731 41.9012 178.8064 70 E 4.1511 7.9373 116.5435 59.1421 29.3811 179.1505 71 A 4.0436 8.2330 120.9304 55.3434 18.4289 179.7807 72 L 4.1078 8.1911 117.5281 57.8593 41.6228 179.5576 73 Q 4.0372 8.8011 120.0640 59.3731 28.9214 178.4326 74 T 3.8701 8.3303 117.4092 66.6549 68.5256 176.8471 75 I 3.2983 7.8084 115.0815 64.0111 37.5126 177.7133 76 H 4.1308 8.5606 120.3416 58.9737 29.7190 177.2246 77 K 3.8500 8.4814 121.8789 59.5440 31.7552 178.8867 78 Q 3.8771 7.7754 117.9527 58.6759 28.5110 178.1691 79 M 4.3904 7.7259 118.9842 57.1321 33.3552 177.8648 80 D 5.0915 8.3294 126.5917 52.2444 40.2440 175.9421 81 D 5.0821 9.3282 125.6484 56.0502 41.6234 177.1205 82 D 4.4984 8.2453 116.3892 53.2424 40.5508 175.9679 83 K 3.9551 7.8345 119.6616 57.4044 30.2262 175.9622 84 D 4.5195 8.3744 116.6357 54.3050 39.9827 176.5827 85 G 4.0627 8.5137 108.5891 45.1949 0.0000 173.9870 86 G 4.0122 8.5102 102.2567 45.1024 0.0000 174.6073 87 I 4.1053 8.4751 129.9469 60.6249 38.1129 175.7051 88 E 4.2078 8.8945 127.9197 55.5763 30.3637 178.7355 89 V 3.6596 8.4871 123.8312 65.1427 31.0696 178.5809 90 E 3.9821 7.9731 117.8697 58.9282 29.5578 178.5967 91 E 4.0920 7.9353 118.3280 59.4622 29.6833 178.9821 92 S 4.1250 8.4998 113.5600 61.4310 62.3303 175.4120 93 D 4.3299 8.0233 120.7194 57.5761 40.6105 178.0731 94 E 3.9406 7.7452 118.4747 59.3864 30.0773 178.3200 95 F 4.4464 8.2127 120.0988 61.0516 39.5454 177.2672 96 I 3.7322 7.9868 119.7634 64.2567 36.7387 178.3203 97 R 3.9531 8.1239 118.1121 58.6296 30.1526 175.9477 98 E 4.1268 7.6006 116.7544 57.3556 31.8273 176.8676 99 D 4.1402 7.6556 118.0520 57.3918 41.1749 177.9628 100 M 4.1647 7.2007 116.5232 56.7157 32.7192 178.2494 101 K 3.8581 7.6117 119.7236 58.7853 32.2810 177.9789 102 Y 4.4673 7.0274 115.3113 60.3534 38.1102 176.7305 103 K 4.4810 7.8079 116.4102 57.1839 34.7338 175.9005 104 D 4.6996 8.8135 117.2627 52.6085 44.0670 173.5076 105 A 4.5755 8.2562 125.0810 53.5064 21.7918 177.8275 106 T 4.1786 7.6031 108.1087 64.1170 67.7719 176.5922 107 N 4.3865 8.2609 119.0583 56.0272 38.8003 176.6237 108 K 4.2960 8.5249 121.2240 60.0541 32.2248 178.1763 109 H 4.4812 8.1947 114.6645 58.6717 28.5916 177.5095 110 S 4.1553 7.8479 117.1483 61.3204 62.6211 175.9756 111 H 4.2867 8.4784 120.8049 59.0613 29.9334 176.7749 112 L 4.1264 7.6424 122.0378 57.8796 42.0331 177.7152 113 H 5.6105 8.5919 114.8688 55.0225 28.8348 177.4121 114 R 4.1356 7.4910 118.8193 58.9159 29.4048 175.6457 115 E 4.8124 7.6070 118.5219 57.4250 37.3682 176.0881 116 D 4.6626 7.6294 120.6710 53.5676 38.9565 176.5571 117 K 4.0984 7.7034 121.5433 59.3424 33.0995 178.3298 118 H 5.1271 7.9089 123.5159 55.6706 28.1174 173.2568 119 I 4.3391 8.1166 124.0181 59.8936 38.9837 175.5902 120 T 4.4101 8.3712 123.6517 62.6729 69.4609 175.5139 121 I 3.2242 8.3853 123.3996 64.5563 37.7322 177.8384 122 E 3.7034 7.9827 117.4474 59.0461 29.6865 178.3736 123 D 4.2106 8.1149 119.4983 56.8645 41.1515 178.0012 124 L 3.1229 7.2816 119.3136 57.3236 41.6199 179.2261 125 W 3.9057 8.2471 118.3964 59.8352 29.0679 178.6025 126 K 3.9612 8.1060 118.4212 59.8297 31.7258 179.2506 127 R 3.5554 7.5941 118.7469 58.9748 30.1987 178.8602 128 W 4.6452 7.5478 118.7614 59.2775 28.7743 178.5427 129 K 3.7641 7.9170 119.6036 59.0668 31.5550 177.8688 130 T 4.4669 7.4949 107.2585 60.7399 69.5587 174.2912 131 S 4.8557 7.2348 117.5136 56.6332 65.8457 175.0403 132 E 3.8180 8.5766 121.4038 59.4441 29.1589 179.5219 133 V 2.0000 6.8796 119.4787 64.1750 30.7120 177.4005 134 H 4.2210 7.2559 116.3132 57.2870 29.9031 175.8512 135 N 4.6230 7.6121 116.4703 52.6178 39.2392 175.4371 136 W 4.5552 6.8240 120.1798 57.4594 29.8620 175.9242 137 T 4.5712 9.2980 118.5797 60.4834 69.1662 174.6014 138 L 4.9961 8.7182 122.3867 58.5944 40.1555 178.8700 139 E 4.0041 8.1068 118.0513 59.2051 29.8309 178.7022 140 D 4.5053 7.8741 120.6769 56.8001 40.9193 178.5402 141 T 3.6113 8.2100 116.5346 66.7896 68.5113 176.7011 142 L 4.1004 7.7224 121.0718 57.5132 41.4782 179.4433 143 Q 4.0010 8.2508 117.9217 59.0772 28.4893 178.5521 144 W 4.0231 8.2271 130.3401 59.7445 30.5205 177.6672 145 L 4.0242 8.2076 120.9422 58.3602 41.6238 179.1666 146 I 3.7681 7.9657 112.9658 63.9019 37.3643 177.9828 147 E 3.7033 8.1310 119.6546 58.4368 29.3837 178.3068 148 F 4.3558 8.3525 114.8935 57.0982 40.6030 176.4714 149 V 4.0372 7.8934 117.4654 62.4486 32.6693 175.3740 150 E 3.8654 7.9507 117.1040 58.0426 27.7332 175.0141 151 L 4.8995 7.4985 114.3386 53.1839 41.9817 176.0307 152 P 4.7420 0.0000 0.0000 63.2291 31.8104 177.7737 153 Q 4.1856 7.8888 117.0366 57.0790 29.4658 175.6260 154 Y 5.4569 8.1910 113.2485 55.5590 40.3373 176.9440 155 E 4.2681 8.3043 121.7720 59.2812 29.7610 179.0376 156 K 4.1367 7.9477 119.4340 59.6316 32.6986 178.9317 157 N 4.2249 7.9230 117.1343 56.1695 38.6037 176.9007 158 F 4.4455 7.6616 118.4945 60.9176 39.1121 177.2651 159 R 3.9144 8.4257 118.0982 60.0780 29.6065 177.9179 160 D 4.3663 8.1772 116.6700 57.4675 41.4551 177.8197 161 N 4.5395 8.3785 115.5044 53.9389 39.6844 174.4219 162 N 5.1180 8.0895 117.5527 55.0429 37.6183 171.2627 163 V 4.4605 7.8688 119.5342 60.3565 33.1942 174.8494 164 K 4.8714 8.6268 127.0217 56.2628 32.8373 175.8500 165 G 4.6241 9.1186 115.8016 47.3123 0.0000 172.3791 166 T 4.0758 6.9561 108.4998 63.3315 70.1662 176.9017 167 T 3.8533 7.5733 117.2798 63.4878 67.6586 175.8653 168 L 3.8667 7.7498 120.8761 57.6094 41.4930 176.1769 169 P 4.3900 0.0000 0.0000 63.6307 31.6052 177.1660 170 R 4.6142 7.6140 118.2680 55.9115 30.4536 175.9745 171 I 3.8940 7.6063 111.7388 60.7363 38.1416 175.1973 172 A 4.7340 8.4056 123.7769 50.5250 21.5409 176.7032 173 V 3.8165 8.7320 123.2059 65.5247 32.0166 176.3954 174 H 4.8182 8.0583 114.1702 56.6471 30.5340 174.4988 175 E 4.4762 7.9194 117.5469 54.2336 30.7353 174.0086 176 P 4.4258 0.0000 0.0000 62.9002 31.7032 177.3191 177 S 4.6659 8.5044 119.1353 57.9540 64.6086 173.9918 178 F 4.1003 8.2401 121.6034 60.9559 39.6567 177.5796 179 M 4.1062 8.1134 118.3939 58.4299 30.3055 178.3176 180 I 3.7482 7.6012 113.0902 64.0252 37.8268 177.7463 181 S 4.2031 7.6898 113.7384 60.4118 62.1757 174.4379 182 Q 4.4160 7.2061 118.3321 55.2206 28.5168 174.9144 183 L 4.5766 7.3283 119.7998 52.4794 45.1727 177.0580 184 K 3.9824 8.8277 124.6270 59.3681 32.3642 177.1246 185 I 4.6023 6.9939 111.4304 58.9150 40.2438 175.2191 186 S 4.4044 8.5052 119.9053 58.5093 62.5032 173.6283 187 D 4.6668 7.8519 118.6581 53.0969 43.5468 175.5757 188 R 3.8448 8.2278 119.8568 59.4698 30.0639 179.1373 189 S 4.0955 7.8982 112.2638 61.7134 62.2344 175.9372 190 H 4.2263 7.6126 118.2771 58.7418 28.5705 177.5850 191 R 3.8949 8.0238 120.6663 59.4482 30.0122 178.4763 192 Q 3.9112 8.7221 118.1780 59.0266 28.5195 178.5826 193 K 3.9184 8.1973 120.9611 59.7375 32.5588 178.7752 194 L 4.0912 7.9731 121.7224 56.8970 42.0639 178.4095 195 Q 3.9623 8.7679 120.6864 59.1730 29.0552 178.3337 196 L 4.0727 8.0657 120.8475 58.5987 40.5638 178.9860 197 K 4.0472 8.2910 120.3066 58.9462 32.1638 178.8038 198 A 3.9645 8.6628 121.7747 54.8687 18.2320 179.1387 199 L 3.8819 8.0791 119.0098 58.4103 42.0224 178.5933 200 D 4.3171 8.1834 117.7620 57.7639 41.1975 178.8332 201 V 3.5976 8.2106 113.1401 64.0264 31.2369 178.8765 202 V 2.6358 7.6761 117.8205 65.7428 31.5065 178.0282 203 L 3.8792 7.5870 117.4034 56.7807 41.5194 178.6632 204 F 4.3761 8.1928 120.5757 58.7129 39.7597 175.5153 205 G 4.0883 7.6542 111.1000 45.9111 0.0000 173.0338 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 -5 G 8.35 3.97 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 0.00 0.00 0.00 -4 S 8.64 3.96 0.00 3.97 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 8.29 4.33 0.00 3.10 3.22 0.00 5.67 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 M 8.24 4.46 0.00 1.91 1.86 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 -1 A 8.50 4.07 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 0 S 8.24 4.12 0.00 4.08 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 *62 T 7.25 4.91 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 1.33 0.00 0.00 63 E 8.55 3.78 0.00 2.07 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 2.32 2.36 0.00 64 E 8.26 4.15 0.00 2.28 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 0.00 2.43 2.49 0.00 65 D 8.12 4.77 0.00 3.08 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.92 4.29 0.00 1.74 1.74 0.00 2.98 0.00 0.00 2.93 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.64 0.00 67 F 8.17 4.37 0.00 3.24 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 68 S 8.72 4.35 0.00 3.95 3.48 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 69 L 8.35 4.63 0.00 2.23 2.10 1.03 0.95 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 70 E 7.94 4.15 0.00 2.36 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 2.45 2.40 0.00 71 A 8.23 4.04 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.19 4.11 0.00 1.92 1.90 0.37 0.99 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 73 Q 8.80 4.04 0.00 2.32 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 74 T 8.33 3.87 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 1.20 0.00 0.00 75 I 7.81 3.30 1.86 0.00 0.00 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 1.73 0.84 0.98 0.00 0.00 76 H 8.56 4.13 0.00 3.29 3.59 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.48 3.85 0.00 1.86 2.05 0.00 1.53 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.47 7.81 78 Q 7.78 3.88 0.00 1.08 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.20 0.00 79 M 7.73 4.39 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.67 0.00 80 D 8.33 5.09 0.00 2.52 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 9.33 5.08 0.00 2.63 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 82 D 8.25 4.50 0.00 2.80 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 83 K 7.83 3.96 0.00 2.00 1.96 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.66 1.35 7.81 84 D 8.37 4.52 0.00 2.77 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 85 G 8.51 4.06 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 0.00 86 G 8.51 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.48 4.11 1.95 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 1.28 0.82 0.97 0.00 0.00 88 E 8.89 4.21 0.00 1.89 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 2.38 2.57 0.00 89 V 8.49 3.66 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.87 0.00 0.00 90 E 7.97 3.98 0.00 1.94 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 2.28 2.37 0.00 91 E 7.94 4.09 0.00 2.20 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 2.39 2.35 0.00 92 S 8.50 4.12 0.00 3.88 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 93 D 8.02 4.33 0.00 2.81 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 94 E 7.75 3.94 0.00 1.97 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 0.00 2.38 2.35 0.00 95 F 8.21 4.45 0.00 3.12 3.18 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 96 I 7.99 3.73 1.99 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.92 1.05 0.00 0.00 97 R 8.12 3.95 0.00 1.85 1.97 0.00 3.25 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.81 0.00 98 E 7.60 4.13 0.00 1.83 1.60 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 2.17 2.08 0.00 99 D 7.66 4.14 0.00 1.81 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 0.00 100 M 7.20 4.16 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.45 0.00 101 K 7.61 3.86 0.00 1.77 1.58 0.00 1.63 0.00 0.00 1.87 0.00 0.00 2.61 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.31 7.81 102 Y 7.03 4.47 0.00 3.04 2.91 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 0.00 103 K 7.81 4.48 0.00 1.77 1.78 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.43 7.81 104 D 8.81 4.70 0.00 2.51 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 0.00 105 A 8.26 4.58 1.22 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 0.00 106 T 7.60 4.18 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 1.22 0.00 0.00 107 N 8.26 4.39 0.00 2.97 3.22 0.00 0.00 7.25 6.63 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 0.00 108 K 8.52 4.30 0.00 2.09 1.95 0.00 2.06 0.00 0.00 2.19 0.00 0.00 3.16 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.81 1.61 7.81 109 H 8.19 4.48 0.00 3.40 3.50 0.00 5.71 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.85 4.16 0.00 4.00 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 0.00 111 H 8.48 4.29 0.00 3.27 3.09 0.00 5.75 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.64 4.13 0.00 1.71 1.84 0.91 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.59 5.61 0.00 3.40 3.31 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.49 4.14 0.00 1.84 2.37 0.00 3.13 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 115 E 7.61 4.81 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 2.17 2.22 0.00 116 D 7.63 4.66 0.00 2.86 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 0.00 117 K 7.70 4.10 0.00 1.82 1.82 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.67 7.81 118 H 7.91 5.13 0.00 3.02 3.31 0.00 5.73 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 I 8.12 4.34 1.90 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.87 0.90 0.00 0.00 120 T 8.37 4.41 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 1.19 0.00 0.00 121 I 8.39 3.22 1.55 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 1.66 1.18 0.83 0.00 0.00 122 E 7.98 3.70 0.00 2.14 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 2.29 2.29 0.00 123 D 8.11 4.21 0.00 2.70 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 0.00 124 L 7.28 3.12 0.00 1.70 1.68 1.13 1.01 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 0.00 125 W 8.25 3.91 0.00 3.48 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 K 8.11 3.96 0.00 1.91 2.03 0.00 1.24 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.55 7.81 127 R 7.59 3.56 0.00 0.67 0.66 0.00 3.00 0.00 0.00 2.94 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.06 0.00 128 W 7.55 4.65 0.00 3.03 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 0.00 129 K 7.92 3.76 0.00 1.75 1.93 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.20 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.44 7.81 130 T 7.49 4.47 4.20 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 1.20 0.00 0.00 131 S 7.23 4.86 0.00 4.08 3.72 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 0.00 132 E 8.58 3.82 0.00 2.26 2.23 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 2.25 2.02 0.00 133 V 6.88 2.00 1.13 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 0.42 0.00 0.00 0.09 0.00 0.00 134 H 7.26 4.22 0.00 3.02 3.26 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 N 7.61 4.62 0.00 2.80 2.84 0.00 0.00 6.95 8.48 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 0.00 136 W 6.82 4.56 0.00 3.47 2.91 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 0.00 137 T 9.30 4.57 4.29 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 1.39 0.00 0.00 138 L 8.72 5.00 0.00 2.00 2.07 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.11 4.00 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 140 D 7.87 4.51 0.00 2.86 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 0.00 0.00 0.00 0.00 141 T 8.21 3.61 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 0.00 142 L 7.72 4.10 0.00 1.77 1.76 1.12 1.06 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 0.00 143 Q 8.25 4.00 0.00 2.28 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.83 0.00 0.00 0.00 0.00 0.00 2.51 2.36 0.00 144 W 8.23 4.02 0.00 2.95 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 0.00 145 L 8.21 4.02 0.00 1.91 1.85 1.14 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.97 3.77 1.86 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 1.46 0.77 1.09 0.00 0.00 147 E 8.13 3.70 0.00 1.97 1.49 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 0.00 2.33 2.40 0.00 148 F 8.35 4.36 0.00 2.38 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 V 7.89 4.04 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 0.83 0.00 0.00 1.04 0.00 0.00 150 E 7.95 3.87 0.00 2.15 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 2.22 2.16 0.00 151 L 7.50 4.90 0.00 1.75 1.77 1.09 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.74 0.00 2.16 2.15 0.00 3.43 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 153 Q 7.89 4.19 0.00 1.98 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 7.18 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 154 Y 8.19 5.46 0.00 3.01 2.57 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 0.00 155 E 8.30 4.27 0.00 2.27 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 0.00 2.55 2.38 0.00 156 K 7.95 4.14 0.00 1.95 2.08 0.00 1.43 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.41 7.81 157 N 7.92 4.22 0.00 2.55 2.70 0.00 0.00 7.06 8.02 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 0.00 158 F 7.66 4.45 0.00 3.16 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 0.00 159 R 8.43 3.91 0.00 2.03 2.02 0.00 3.13 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 160 D 8.18 4.37 0.00 2.72 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 0.00 161 N 8.38 4.54 0.00 2.81 2.88 0.00 0.00 7.54 7.77 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 0.00 162 N 8.09 5.12 0.00 2.84 3.21 0.00 0.00 6.94 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 0.00 163 V 7.87 4.46 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 0.92 0.00 0.00 1.20 0.00 0.00 164 K 8.63 4.87 0.00 2.01 1.96 0.00 1.54 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.53 7.81 165 G 9.12 4.62 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 0.00 166 T 6.96 4.08 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 1.13 0.00 0.00 167 T 7.57 3.85 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 1.05 0.00 0.00 168 L 7.75 3.87 0.00 1.56 1.55 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 169 P 0.00 4.39 0.00 2.04 2.09 0.00 3.66 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.87 0.00 170 R 7.61 4.61 0.00 1.80 1.61 0.00 2.75 0.00 0.00 2.97 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 171 I 7.61 3.89 1.89 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 1.43 0.53 1.05 0.00 0.00 172 A 8.41 4.73 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 0.00 0.00 173 V 8.73 3.82 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 0.75 0.00 0.00 0.98 0.00 0.00 174 H 8.06 4.82 0.00 3.20 3.31 0.00 5.76 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 E 7.92 4.48 0.00 2.05 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 2.36 2.31 0.00 176 P 0.00 4.43 0.00 2.22 2.09 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 177 S 8.50 4.67 0.00 3.90 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 0.00 178 F 8.24 4.10 0.00 2.12 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 0.00 179 M 8.11 4.11 0.00 2.14 2.32 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.58 0.00 180 I 7.60 3.75 1.88 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 1.56 0.58 0.94 0.00 0.00 181 S 7.69 4.20 0.00 3.81 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 0.00 182 Q 7.21 4.42 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.38 0.00 0.00 0.00 0.00 0.00 1.77 2.12 0.00 183 L 7.33 4.58 0.00 1.66 1.32 0.60 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 184 K 8.83 3.98 0.00 1.89 1.94 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.49 7.81 185 I 6.99 4.60 1.89 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 1.21 0.78 0.92 0.00 0.00 186 S 8.51 4.40 0.00 3.86 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 0.00 187 D 7.85 4.67 0.00 2.75 2.38 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 0.00 188 R 8.23 3.84 0.00 1.88 2.05 0.00 3.21 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 189 S 7.90 4.10 0.00 3.76 3.58 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 0.00 190 H 7.61 4.23 0.00 3.32 3.34 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 R 8.02 3.89 0.00 1.91 1.92 0.00 3.12 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 192 Q 8.72 3.91 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.49 0.00 0.00 0.00 0.00 0.00 2.52 2.32 0.00 193 K 8.20 3.92 0.00 2.04 2.26 0.00 1.42 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 3.45 0.00 0.00 0.00 0.00 1.72 1.50 7.81 194 L 7.97 4.09 0.00 1.90 1.65 0.86 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 195 Q 8.77 3.96 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.64 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 196 L 8.07 4.07 0.00 2.06 1.97 0.97 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 197 K 8.29 4.05 0.00 2.22 1.96 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.59 1.72 7.81 198 A 8.66 3.96 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 0.00 199 L 8.08 3.88 0.00 2.11 1.93 1.14 1.05 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 0.00 200 D 8.18 4.32 0.00 3.03 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 0.00 201 V 8.21 3.60 1.73 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 1.00 0.00 0.00 0.86 0.00 0.00 202 V 7.68 2.64 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 0.13 0.00 0.00 0.69 0.00 0.00 203 L 7.59 3.88 0.00 1.76 1.83 1.25 1.31 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 0.00 204 F 8.19 4.38 0.00 2.98 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 0.00 205 G 7.65 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 * Residues marked with a * may have inaccurate shift predictions.