NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3524 0.0000 0.0000 62.5106 32.6271 175.4956 3 R 4.0981 8.4403 122.8037 54.9982 31.1931 174.6782 4 A 4.6999 7.9446 127.0265 49.2160 19.6565 175.1558 5 K 4.0193 8.0262 119.8768 56.5259 34.0034 178.1474 6 T 3.9035 8.8104 118.5386 66.4977 69.1062 175.9990 7 G 4.0824 8.3731 108.4352 45.3580 0.0000 174.0044 8 V 4.2610 8.0679 120.3945 61.3487 34.5451 178.8041 9 V 3.5616 7.5069 119.4725 66.1340 31.1379 177.9937 10 R 3.7707 7.8630 117.3899 59.4413 29.9995 177.8788 11 R 3.8300 8.0253 118.0175 59.8261 29.7810 178.3456 12 R 3.9043 7.7190 117.5685 59.2737 30.1705 179.2548 13 K 4.0002 7.7738 117.9208 59.7461 31.9924 179.2242 14 H 4.3450 8.4198 116.6923 58.6009 28.5110 178.0885 15 K 3.9386 8.3015 120.6774 59.2325 31.7048 178.9615 16 K 3.7987 8.0331 118.9992 59.9717 32.4320 178.4174 17 I 3.8915 7.6420 119.1510 64.2659 37.0645 178.3435 18 L 3.9828 7.9003 119.9199 57.6543 41.2589 179.4513 19 K 3.8967 8.4114 119.9891 59.5120 31.8909 178.8067 20 L 4.0220 7.6075 117.4757 56.7564 41.8300 178.1440 21 A 3.7033 7.5814 119.4464 50.4336 18.8915 176.9759 22 K 3.8228 6.7734 118.1308 58.2960 32.5992 175.9297 23 G 4.1127 8.9306 110.9135 46.0711 0.0000 173.7947 24 Y 4.6769 7.1216 115.8839 57.6632 38.6787 175.8302 25 W 4.3792 8.9504 131.6607 58.2842 32.6721 176.6395 26 G 3.5805 7.4544 113.2826 46.7256 0.0000 176.5332 27 L 4.2079 8.5238 123.7594 56.4547 41.8105 178.6245 28 R 4.1589 8.4648 118.4848 57.9233 30.0568 177.7022 29 S 4.8247 7.9348 110.1915 57.6113 64.1314 174.5827 30 K 4.2683 7.9449 119.0974 56.7808 34.2934 175.7319 31 S 4.4421 8.3108 116.9523 57.0776 61.6162 176.2368 *32 F 4.4974 8.2320 133.3127 55.2903 36.5997 172.3113 33 R 4.6717 7.5550 123.1932 56.5952 37.0594 176.3329 34 K 4.1435 8.4571 117.7424 58.4242 32.1657 179.1167 35 A 4.7329 7.8131 122.2558 54.6403 18.4651 179.2561 36 R 3.5172 7.8648 116.6864 59.6202 30.2431 178.2241 37 E 4.0350 7.6440 117.3189 59.7832 29.5936 179.4588 38 T 3.8818 7.9600 115.5872 66.8180 68.5819 176.7305 39 L 4.1441 8.3275 120.8550 57.3729 40.9696 179.6040 40 F 4.4478 7.8545 117.8418 60.7580 38.8271 177.5087 41 A 3.6984 7.6979 118.7525 54.9260 17.9753 179.5354 42 A 4.1649 7.9476 119.0536 54.9823 18.3583 180.1496 43 G 3.6119 7.9973 104.6705 47.8860 0.0000 175.9780 44 N 4.4015 7.8035 118.0219 56.1354 38.5437 176.8301 45 Y 4.4236 8.0117 118.3689 61.6152 37.9493 178.4766 46 A 4.2337 7.9271 121.1413 55.6243 17.7480 178.6925 47 Y 4.0009 8.3897 116.7987 61.0080 38.7774 178.7578 48 A 4.4492 8.9228 121.7116 55.1266 18.7318 179.0587 49 H 4.4448 9.1410 115.4098 58.3180 28.6613 178.1217 50 R 4.0535 8.1717 120.0975 58.9177 29.7477 178.8497 51 K 4.0230 7.4198 118.7652 59.6367 32.0581 179.4712 52 R 3.8800 7.8040 117.7570 59.1716 30.0886 178.8046 53 R 3.9397 8.4046 118.9212 59.6712 29.8598 178.2892 54 K 3.8971 7.6954 117.4758 59.8569 32.1332 179.4658 55 R 3.8876 7.8126 117.4333 59.3089 30.0337 178.5748 56 D 4.1605 8.6633 119.2544 57.4649 40.7817 178.9990 57 F 3.2879 7.8765 117.7051 59.7087 38.7103 177.7631 58 R 3.8613 7.1801 117.9696 59.5877 29.8741 178.6487 59 R 3.7599 7.5904 117.1472 59.5606 30.1299 178.2967 60 L 3.7664 7.4534 119.3176 58.4188 41.9167 178.7485 61 W 4.5931 8.2684 118.5325 60.2369 29.1450 178.2197 62 I 3.6850 8.4295 119.6159 64.8701 36.7203 178.5379 63 V 3.5827 8.1034 118.9283 65.9904 31.1964 178.3711 64 R 3.9292 8.0681 117.7501 59.4112 29.7375 178.8600 65 I 3.8840 8.6416 119.9435 64.4011 37.1379 178.0624 66 N 4.5985 8.4968 117.6976 56.5865 38.7534 176.5005 67 A 3.9696 7.6897 120.4263 55.3523 18.7287 178.9004 68 A 3.9476 8.0580 119.1643 55.6030 18.3499 179.2966 69 C 4.3645 7.8949 110.4765 59.8787 29.7334 175.1200 70 R 4.8687 7.5483 121.0697 57.2109 30.0405 177.4410 71 Q 4.3772 7.7647 116.9732 56.8062 29.0168 175.7812 72 H 5.0381 7.9363 116.7691 55.4058 31.2112 173.8396 73 G 4.0122 9.0048 112.1212 44.0848 0.0000 177.0680 74 L 3.8231 8.2525 123.8754 53.3935 42.8223 175.5328 75 N 5.3277 8.3721 116.1635 50.5824 40.4798 174.7771 76 Y 4.2019 8.9350 119.3979 61.4272 38.8724 178.3243 77 S 4.2542 8.6551 113.7820 62.9953 63.1664 176.4546 78 T 3.9853 8.4857 117.9617 65.5621 68.2338 176.8914 79 F 4.2651 8.6958 122.1589 61.6599 39.8782 178.3768 80 I 3.2262 7.5201 119.5662 64.1283 36.7876 177.9230 81 H 4.2264 8.5880 119.6987 59.1905 28.9869 177.1329 82 G 3.8038 8.1667 107.0551 48.0686 0.0000 174.9728 83 L 4.0804 7.5513 121.3282 57.2052 41.4464 179.3479 84 K 3.7415 7.7919 118.1490 59.7304 32.1033 178.5135 85 K 4.0491 8.2424 116.9542 59.3621 32.2140 178.9525 86 A 4.0732 9.0078 119.9712 53.6683 18.2493 178.5959 87 G 3.8174 8.3146 105.0371 45.0951 0.0000 174.2791 88 I 3.9871 7.2548 113.9387 59.9856 36.4070 175.0207 89 E 4.4443 8.3442 126.5934 56.9266 30.5426 176.4597 90 V 4.2080 7.0401 126.5590 60.5656 29.2626 179.1670 91 D 3.8441 9.4676 111.6061 52.8217 42.7931 172.5159 92 R 3.4392 7.2037 115.8509 59.8549 28.1500 179.6222 93 K 4.3388 7.2737 118.1411 58.3393 34.1003 176.6057 94 N 2.0000 6.9533 117.3120 55.9215 38.5634 176.1019 95 L 3.9490 8.1856 117.0785 56.7476 42.4223 177.2144 96 A 4.6078 7.6614 123.6404 51.6297 17.5076 177.2757 97 D 4.7358 7.6304 120.6013 53.2874 41.0124 178.6536 98 L 4.4135 7.7965 119.7849 57.3110 41.8485 178.2692 99 A 3.2561 8.0107 120.0850 54.5833 17.5132 177.6073 100 V 3.8371 7.9342 115.6243 64.1867 32.5985 175.5329 101 R 4.1535 7.5383 115.9527 56.8498 31.7806 176.4895 102 E 3.6850 8.8650 121.5587 56.9603 25.5332 174.5277 103 P 4.4086 0.0000 0.0000 65.6732 31.6037 177.8611 104 Q 3.9819 8.0473 117.9330 58.9900 28.7711 178.4250 105 V 3.5860 7.8171 118.6778 65.9195 31.5494 177.3974 106 F 3.9371 8.2394 119.8688 61.3391 39.3550 176.5452 107 A 4.0930 8.4761 120.6951 55.6449 18.1201 179.2897 108 E 3.8905 8.2002 117.3627 59.3848 29.6411 179.0284 109 L 3.9938 7.7998 119.1934 57.4361 41.6085 179.5439 110 V 3.2118 7.5337 118.4443 65.9398 31.4125 177.7521 111 E 3.8875 7.9940 117.7952 59.4324 29.4266 179.2192 112 R 3.8747 7.9989 117.6697 59.7049 30.0073 178.5651 113 A 4.0096 7.7790 119.0552 55.0971 18.6168 179.4516 114 K 4.1103 8.0661 114.9786 58.5359 33.0152 178.5691 115 A 4.1467 7.9347 123.0444 55.0843 18.4516 178.9892 116 A 4.1205 7.6226 116.1375 54.4717 18.5037 179.0784 117 Q 4.1265 7.5940 116.8181 57.0851 28.8544 176.3914 118 G 3.7484 7.7553 114.3273 45.8224 0.0000 173.1931 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 2 P 0.00 4.35 0.00 2.19 2.13 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 3 R 8.44 4.10 0.00 1.87 1.85 0.00 3.17 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 4 A 7.94 4.70 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 5 K 8.03 4.02 0.00 1.87 1.84 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.47 7.81 6 T 8.81 3.90 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 1.19 0.00 0.00 7 G 8.37 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.07 4.26 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 0.91 0.00 0.00 0.92 0.00 0.00 9 V 7.51 3.56 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 0.97 0.00 0.00 0.95 0.00 0.00 10 R 7.86 3.77 0.00 1.86 1.82 0.00 3.19 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.56 0.00 11 R 8.03 3.83 0.00 1.89 2.06 0.00 3.23 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 12 R 7.72 3.90 0.00 1.98 1.95 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 13 K 7.77 4.00 0.00 1.77 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.66 1.62 7.81 14 H 8.42 4.35 0.00 3.32 3.32 0.00 5.64 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 15 K 8.30 3.94 0.00 1.94 1.85 0.00 1.68 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.60 7.81 16 K 8.03 3.80 0.00 1.84 2.03 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 17 I 7.64 3.89 1.84 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 1.47 0.91 0.85 0.00 0.00 18 L 7.90 3.98 0.00 1.89 1.69 0.96 0.65 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 19 K 8.41 3.90 0.00 1.85 1.94 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.45 7.81 20 L 7.61 4.02 0.00 1.88 1.69 0.91 0.54 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 21 A 7.58 3.70 1.43 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 0.00 0.00 22 K 6.77 3.82 0.00 1.67 1.69 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.49 7.81 23 G 8.93 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 24 Y 7.12 4.68 0.00 3.18 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 25 W 8.95 4.38 0.00 3.51 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 26 G 7.45 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 0.00 0.00 0.00 27 L 8.52 4.21 0.00 1.78 1.75 0.95 0.88 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 28 R 8.46 4.16 0.00 2.24 2.08 0.00 3.14 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 29 S 7.93 4.82 0.00 3.86 4.16 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 30 K 7.94 4.27 0.00 1.72 1.84 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.28 7.81 31 S 8.31 4.44 0.00 3.83 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 *32 F 8.23 4.50 0.00 2.34 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 33 R 7.55 4.67 0.00 1.73 1.83 0.00 3.13 0.00 0.00 3.33 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 34 K 8.46 4.14 0.00 1.98 1.86 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.61 7.81 35 A 7.81 4.73 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 36 R 7.86 3.52 0.00 1.68 1.93 0.00 3.11 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.83 0.00 37 E 7.64 4.03 0.00 2.25 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 2.46 2.41 0.00 38 T 7.96 3.88 4.41 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 0.55 0.00 0.00 39 L 8.33 4.14 0.00 1.64 1.70 0.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.85 4.45 0.00 3.31 2.90 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 41 A 7.70 3.70 1.07 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 0.00 0.00 42 A 7.95 4.16 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 0.00 0.00 0.00 0.00 0.00 43 G 8.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 7.80 4.40 0.00 2.62 2.84 0.00 0.00 7.01 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 45 Y 8.01 4.42 0.00 3.01 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 46 A 7.93 4.23 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 47 Y 8.39 4.00 0.00 3.16 3.15 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 0.00 48 A 8.92 4.45 1.59 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 0.00 0.00 49 H 9.14 4.44 0.00 3.23 3.36 0.00 5.82 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.17 4.05 0.00 1.62 1.93 0.00 3.13 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 51 K 7.42 4.02 0.00 2.13 1.80 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.47 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 1.44 7.81 52 R 7.80 3.88 0.00 1.79 1.92 0.00 3.14 0.00 0.00 2.97 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.93 0.00 53 R 8.40 3.94 0.00 2.00 2.14 0.00 3.20 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.97 0.00 54 K 7.70 3.90 0.00 1.99 1.88 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.50 7.81 55 R 7.81 3.89 0.00 1.92 1.92 0.00 3.11 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 56 D 8.66 4.16 0.00 2.61 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.88 3.29 0.00 2.41 1.45 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 58 R 7.18 3.86 0.00 1.82 2.03 0.00 3.14 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.94 0.00 59 R 7.59 3.76 0.00 1.87 1.86 0.00 3.22 0.00 0.00 3.00 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 60 L 7.45 3.77 0.00 1.43 1.44 1.02 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.27 4.59 0.00 3.67 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 62 I 8.43 3.69 1.86 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 1.39 1.03 -0.01 0.00 0.00 63 V 8.10 3.58 2.19 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 1.01 0.00 0.00 0.92 0.00 0.00 64 R 8.07 3.93 0.00 2.16 1.98 0.00 3.34 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 65 I 8.64 3.88 2.41 0.00 0.00 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 1.85 1.23 1.50 0.00 0.00 66 N 8.50 4.60 0.00 3.10 2.98 0.00 0.00 6.94 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 67 A 7.69 3.97 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 68 A 8.06 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 C 7.89 4.36 0.00 2.95 3.15 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 0.00 70 R 7.55 4.87 0.00 2.16 2.04 0.00 3.35 0.00 0.00 3.12 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 71 Q 7.76 4.38 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 7.34 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 72 H 7.94 5.04 0.00 3.00 3.19 0.00 5.64 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 73 G 9.00 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 74 L 8.25 3.82 0.00 1.95 1.84 0.95 0.25 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 75 N 8.37 5.33 0.00 3.04 3.02 0.00 0.00 5.51 7.57 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 76 Y 8.93 4.20 0.00 3.30 3.15 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 0.00 77 S 8.66 4.25 0.00 4.11 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.49 3.99 4.46 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 1.29 0.00 0.00 79 F 8.70 4.27 0.00 2.99 2.90 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 80 I 7.52 3.23 1.55 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 -0.20 0.73 0.00 0.00 81 H 8.59 4.23 0.00 3.13 3.40 0.00 5.81 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 82 G 8.17 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 0.00 0.00 0.00 83 L 7.55 4.08 0.00 1.71 1.56 0.96 0.11 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 84 K 7.79 3.74 0.00 1.88 1.94 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.54 7.81 85 K 8.24 4.05 0.00 1.72 1.77 0.00 1.49 0.00 0.00 1.42 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.21 7.81 86 A 9.01 4.07 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 G 8.31 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.25 3.99 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.54 0.88 0.00 0.00 89 E 8.34 4.44 0.00 1.92 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 2.27 0.00 90 V 7.04 4.21 2.04 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 0.75 0.00 0.00 0.90 0.00 0.00 91 D 9.47 3.84 0.00 2.65 2.46 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 92 R 7.20 3.44 0.00 2.04 1.75 0.00 3.13 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 93 K 7.27 4.34 0.00 2.19 2.44 0.00 1.74 0.00 0.00 1.90 0.00 0.00 3.28 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.80 1.79 7.81 94 N 6.95 2.00 0.00 1.44 2.25 0.00 0.00 7.00 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.19 3.95 0.00 1.83 1.63 0.85 0.98 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 96 A 7.66 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 97 D 7.63 4.74 0.00 2.86 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 98 L 7.80 4.41 0.00 1.93 2.01 1.03 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.01 3.26 0.64 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 0.00 100 V 7.93 3.84 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 0.80 0.00 0.00 0.94 0.00 0.00 101 R 7.54 4.15 0.00 1.92 1.84 0.00 3.22 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 102 E 8.87 3.68 0.00 2.23 2.19 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 2.28 2.25 0.00 103 P 0.00 4.41 0.00 2.29 2.30 0.00 3.72 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 104 Q 8.05 3.98 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 105 V 7.82 3.59 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.96 0.00 0.00 106 F 8.24 3.94 0.00 3.25 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 0.00 107 A 8.48 4.09 1.45 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 0.00 0.00 108 E 8.20 3.89 0.00 2.03 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 2.29 2.49 0.00 109 L 7.80 3.99 0.00 1.65 1.68 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.53 3.21 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 0.89 0.00 0.00 0.61 0.00 0.00 111 E 7.99 3.89 0.00 2.15 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 2.51 2.46 0.00 112 R 8.00 3.87 0.00 1.94 2.00 0.00 3.28 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 113 A 7.78 4.01 1.52 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 0.00 0.00 0.00 114 K 8.07 4.11 0.00 1.94 1.96 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.81 1.44 7.81 115 A 7.93 4.15 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.62 4.12 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 0.00 117 Q 7.59 4.13 0.00 2.39 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 118 G 7.76 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.