NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7350 8.3549 109.6879 44.8284 0.0000 173.7178 2 F 4.3300 7.9396 118.2805 53.8165 39.7449 173.1018 3 P 4.3720 0.0000 0.0000 62.8033 32.5912 175.7781 4 I 4.2523 8.3849 123.3117 60.0069 37.1875 174.1559 5 P 4.3856 0.0000 0.0000 63.2218 31.7039 176.2336 6 D 4.5982 8.3303 120.2484 52.2890 42.3855 173.3097 7 P 4.6475 0.0000 0.0000 62.6163 31.8404 176.9599 8 Y 4.5464 8.8058 121.3287 57.8534 36.4218 174.7027 9 V 4.3401 7.4195 122.4980 59.6559 35.2406 174.7749 10 W 2.5766 7.9392 133.9038 56.3415 31.4076 175.1163 11 D 4.7213 6.9024 122.5857 50.4089 42.2436 174.4285 12 P 3.7202 0.0000 0.0000 65.6539 31.3838 178.5352 13 S 4.0152 7.7469 111.3933 60.1709 62.7388 174.8304 14 F 4.4149 7.2435 118.6378 57.2228 39.1267 176.3221 15 R 4.3283 7.5334 121.4390 56.9305 30.0188 176.6522 16 T 4.2186 9.0931 111.5771 61.0267 69.7203 175.4163 17 F 3.6587 7.3662 118.5417 58.4071 37.0149 174.9601 18 Y 4.7271 7.4069 119.7462 55.8814 38.9866 176.1924 19 S 4.1331 8.7104 122.1246 62.0672 63.2289 177.0540 20 I 3.8121 7.8008 121.4205 64.1929 36.9005 178.4992 21 I 3.8503 7.7620 120.5046 64.4525 37.2055 177.9863 22 D 4.4797 8.5613 120.1252 57.3003 40.6901 178.6414 23 D 4.0674 8.0679 119.5871 57.2421 40.8305 178.6079 24 E 3.9828 8.0278 118.8502 59.7377 29.4407 179.1726 25 H 5.0637 8.1972 117.6068 58.2518 28.5224 178.0406 26 K 3.8359 7.2838 119.5788 59.3723 32.0732 179.2228 27 T 3.9879 7.7205 109.6731 64.9845 68.4253 176.3988 28 L 3.8524 8.1012 122.5623 57.4568 41.5792 179.7305 29 F 4.0849 8.3797 117.5107 60.5145 38.9103 177.0802 30 N 4.4891 8.3502 116.9058 56.8086 38.6604 177.0572 31 G 3.6425 8.1272 106.5838 47.8308 0.0000 175.1851 32 I 3.8448 7.6232 119.3623 63.0826 37.8958 177.7509 33 F 4.1439 8.2792 121.9541 61.7793 39.2055 176.8592 34 H 4.2662 8.4860 115.7584 58.6029 28.3350 177.5419 35 L 3.8654 7.6912 120.9325 57.9669 41.9064 178.6393 36 A 4.1385 7.9494 120.2919 55.1164 18.3817 179.4419 37 I 4.0012 7.0686 116.9462 63.0268 37.6597 176.1712 38 D 4.4748 8.7788 122.1577 52.4025 42.4692 174.8385 39 D 4.6776 8.7598 123.7787 54.9551 41.3872 175.7411 40 N 4.5340 8.3338 115.8725 53.1723 37.8192 175.6449 41 A 3.9901 8.7171 121.2198 55.5774 18.1225 180.1210 42 D 4.2179 7.9509 116.8358 57.7896 41.1863 178.5342 43 N 4.2860 8.0526 116.4411 55.9334 38.4361 177.2451 44 L 3.7057 7.9987 121.9765 57.9554 42.1949 178.9060 45 G 3.6886 8.1670 106.1553 47.9473 0.0000 174.9711 46 E 3.8511 8.2524 121.9816 58.8769 29.6694 178.7308 47 L 3.8205 7.5785 120.0568 58.0705 42.0847 178.8380 48 R 3.7294 8.5967 119.5928 59.2254 29.9462 178.5457 49 R 3.7892 8.0847 118.7144 59.5228 30.0380 178.1010 50 C 4.0950 7.8921 118.3985 62.7421 31.5348 175.6869 51 T 3.6093 8.4032 117.9071 66.1977 67.8721 177.2384 52 G 3.5718 8.1124 107.9061 47.6597 0.0000 175.4078 53 K 4.0489 8.1049 122.1899 59.2666 32.2489 178.0890 54 H 4.3917 8.5685 119.7130 58.8415 29.7893 177.2762 55 F 4.4150 8.3166 119.2982 60.5611 38.7240 177.4797 56 L 4.0385 7.9239 119.8980 58.2938 41.9980 178.3328 57 N 4.2550 8.4068 116.7387 56.5728 38.5983 176.7766 58 E 3.8214 8.5415 120.5387 59.5994 29.6627 178.8062 59 Q 4.1700 8.4311 118.1462 59.2337 28.6517 179.2619 60 V 3.6313 8.3584 119.5257 65.7738 31.4099 178.1956 61 L 3.9016 7.7838 119.0692 57.8737 41.4210 179.3262 62 M 3.9763 8.0585 118.6413 58.5302 31.8600 178.8294 63 Q 4.0807 8.5674 117.7395 58.0450 28.5356 178.5987 64 A 3.9433 7.4539 122.9170 55.0669 18.4771 178.6125 65 S 4.5785 7.5209 108.7853 57.9236 63.5036 174.9589 66 Q 3.1774 7.5141 117.1864 56.4445 26.2509 173.9547 67 Y 4.4513 8.5125 117.9172 58.1455 39.8742 176.1368 68 Q 3.7858 8.4995 127.6611 58.3947 29.4420 176.6154 69 F 4.7593 5.7165 116.1888 57.2184 40.0009 177.5525 70 Y 4.3171 8.1214 122.5234 61.2309 38.8610 176.1942 71 D 4.4997 8.4142 119.5758 57.3616 40.9657 178.6694 72 E 4.0018 8.1996 117.6299 59.7697 29.8464 178.4860 73 H 4.0695 8.0702 119.6686 58.5344 29.8005 177.1503 74 K 3.7280 8.3755 124.2571 60.1397 31.8749 179.3538 75 K 4.0954 7.7729 122.4692 60.2000 31.7346 180.3462 76 E 4.5700 8.0920 118.3015 59.8978 29.5366 178.7361 77 H 3.7448 8.2449 116.0730 59.3414 28.7509 177.5026 78 E 4.3539 8.8401 121.8398 59.5152 29.2311 180.0396 *79 T 4.0154 8.5533 115.7357 65.7140 68.6398 182.0679 80 F 4.3222 7.9979 123.0949 61.0303 39.5929 177.3677 81 I 3.6125 8.1611 119.5852 64.5708 36.7479 177.9398 82 H 4.2608 8.2245 118.9434 59.1397 29.1830 177.2182 83 A 3.8950 7.9394 122.6698 55.0868 17.9572 179.6530 84 L 3.7665 7.6819 116.8809 57.7547 41.7156 178.9402 85 D 4.5527 7.7631 117.0690 55.4408 41.6788 176.1654 86 N 5.0316 7.6088 116.2736 51.5080 39.2339 175.1286 87 W 4.5579 8.3063 129.2543 58.1630 31.3293 175.7740 88 K 4.0638 7.5965 125.2929 53.8580 32.0773 173.6219 89 G 3.7919 5.3800 106.0693 45.9722 0.0000 174.8685 90 D 4.4354 6.2410 122.9507 54.0618 39.2838 177.4116 91 V 4.3483 7.7952 122.0828 64.0922 32.0503 178.0529 92 K 4.2638 8.0002 117.1963 59.8406 32.2870 178.4649 93 W 4.2620 8.3034 128.1475 60.6511 30.6607 177.4239 94 A 4.0208 8.6551 120.2409 55.6303 17.8755 179.8173 95 K 3.7363 7.9797 117.5855 58.9469 31.9881 179.7151 96 S 4.3441 7.9754 114.5364 60.6838 63.1960 176.3370 97 W 3.6596 8.2706 132.5055 60.4842 29.8938 177.4227 98 Y 4.1186 8.0636 119.4953 60.5128 38.2109 177.8325 99 V 3.6176 7.8002 118.8930 65.6575 31.6199 177.7879 100 N 4.2089 8.1852 116.7255 56.0054 38.5913 176.5842 101 H 3.4134 7.8082 119.9566 59.3418 29.7046 177.0274 102 I 3.5963 6.7432 119.2213 63.5760 37.5850 177.4443 103 K 2.4800 6.4833 116.6580 56.7986 31.7487 177.0678 104 T 4.3249 7.0184 106.8154 62.9377 70.7332 176.1975 105 I 3.6798 7.2484 123.2105 63.5936 37.2084 178.0976 106 D 3.7652 7.9644 120.0322 57.1563 40.6762 178.7291 107 F 4.3368 8.0471 120.6669 61.1742 38.5736 178.5124 108 K 4.1367 7.3970 122.1443 59.2064 31.7597 181.8078 109 Y 4.8757 7.6683 115.4493 56.1659 38.1032 175.3668 110 K 4.5044 7.6468 121.8790 58.5678 32.2957 177.3025 111 G 4.0783 9.9415 112.8560 45.6336 0.0000 173.5701 112 K 4.7488 8.4250 116.9012 55.7250 33.2438 176.2905 113 I 4.0694 7.5865 118.2785 61.1273 37.4201 174.7107 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 G 8.35 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 0.00 0.00 0.00 2 F 7.94 4.33 0.00 3.08 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 3 P 0.00 4.37 0.00 2.25 2.11 0.00 3.94 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 4 I 8.38 4.25 2.03 0.00 0.00 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 1.53 0.93 1.20 0.00 0.00 5 P 0.00 4.39 0.00 2.04 1.99 0.00 3.92 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.27 0.00 6 D 8.33 4.60 0.00 2.68 2.61 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 7 P 0.00 4.65 0.00 2.60 2.33 0.00 3.89 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 8 Y 8.81 4.55 0.00 3.15 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 9 V 7.42 4.34 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 0.76 0.00 0.00 0.83 0.00 0.00 10 W 7.94 2.58 0.00 2.46 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 11 D 6.90 4.72 0.00 2.71 2.52 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 12 P 0.00 3.72 0.00 2.05 2.10 0.00 3.44 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 2.10 2.15 0.00 13 S 7.75 4.02 0.00 3.72 3.78 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 0.00 0.00 0.00 0.00 14 F 7.24 4.41 0.00 1.99 2.99 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 15 R 7.53 4.33 0.00 1.11 0.84 0.00 2.90 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 16 T 9.09 4.22 4.78 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 0.00 0.00 0.00 1.69 0.00 0.00 17 F 7.37 3.66 0.00 3.02 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.41 4.73 0.00 3.05 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 19 S 8.71 4.13 0.00 3.90 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 20 I 7.80 3.81 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 1.66 1.42 0.91 0.00 0.00 21 I 7.76 3.85 2.24 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.88 1.14 0.00 0.00 22 D 8.56 4.48 0.00 2.76 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.07 4.07 0.00 2.81 2.60 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 0.00 0.00 0.00 24 E 8.03 3.98 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.69 0.00 25 H 8.20 5.06 0.00 3.47 3.80 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.28 3.84 0.00 1.64 1.58 0.00 1.15 0.00 0.00 1.24 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.34 7.81 27 T 7.72 3.99 4.21 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 1.23 0.00 0.00 28 L 8.10 3.85 0.00 1.96 1.25 0.94 0.91 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 29 F 8.38 4.08 0.00 3.35 3.06 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 30 N 8.35 4.49 0.00 2.86 3.08 0.00 0.00 7.14 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 31 G 8.13 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 32 I 7.62 3.84 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.14 1.22 0.00 0.00 33 F 8.28 4.14 0.00 3.68 3.24 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 0.00 0.00 0.00 34 H 8.49 4.27 0.00 3.41 3.41 0.00 5.87 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.69 3.87 0.00 1.73 1.81 1.09 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.95 4.14 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 37 I 7.07 4.00 1.88 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.22 0.87 0.00 0.00 38 D 8.78 4.47 0.00 2.57 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.76 4.68 0.00 2.85 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 40 N 8.33 4.53 0.00 2.92 2.96 0.00 0.00 6.84 6.73 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 41 A 8.72 3.99 1.33 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 0.00 0.00 42 D 7.95 4.22 0.00 2.76 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 43 N 8.05 4.29 0.00 2.93 2.84 0.00 0.00 6.70 6.74 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 44 L 8.00 3.71 0.00 1.55 1.69 0.11 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.17 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 46 E 8.25 3.85 0.00 2.12 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 2.27 2.32 0.00 47 L 7.58 3.82 0.00 1.78 1.57 0.79 0.47 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 48 R 8.60 3.73 0.00 1.74 1.97 0.00 3.04 0.00 0.00 2.90 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 49 R 8.08 3.79 0.00 1.86 1.98 0.00 3.12 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 50 C 7.89 4.09 0.00 3.16 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.40 3.61 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 0.44 0.00 0.00 52 G 8.11 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 53 K 8.10 4.05 0.00 1.99 1.93 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.46 7.81 54 H 8.57 4.39 0.00 3.35 3.47 0.00 5.89 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.32 4.41 0.00 3.23 3.08 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 56 L 7.92 4.04 0.00 1.91 1.87 1.02 0.68 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 57 N 8.41 4.26 0.00 2.97 2.88 0.00 0.00 6.74 8.19 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 58 E 8.54 3.82 0.00 2.03 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 59 Q 8.43 4.17 0.00 2.52 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 2.16 2.53 0.00 60 V 8.36 3.63 2.28 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 1.03 0.00 0.00 1.02 0.00 0.00 61 L 7.78 3.90 0.00 1.69 1.37 0.65 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 62 M 8.06 3.98 0.00 2.47 2.55 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.13 0.00 63 Q 8.57 4.08 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 1.44 2.17 0.00 64 A 7.45 3.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.52 4.58 0.00 3.99 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 66 Q 7.51 3.18 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 67 Y 8.51 4.45 0.00 3.01 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 68 Q 8.50 3.79 0.00 1.73 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.32 0.00 0.00 0.00 0.00 0.00 1.16 1.71 0.00 69 F 5.72 4.76 0.00 2.84 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 70 Y 8.12 4.32 0.00 3.23 2.99 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 71 D 8.41 4.50 0.00 2.88 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 72 E 8.20 4.00 0.00 2.29 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 2.57 2.74 0.00 73 H 8.07 4.07 0.00 3.52 3.38 0.00 5.61 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.38 3.73 0.00 1.33 1.79 0.00 1.81 0.00 0.00 1.80 0.00 0.00 3.27 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.39 7.81 75 K 7.77 4.10 0.00 1.91 1.74 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.40 1.38 7.81 76 E 8.09 4.57 0.00 2.30 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 2.56 2.48 0.00 77 H 8.24 3.74 0.00 3.29 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.84 4.35 0.00 2.22 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 2.43 2.60 0.00 *79 T 8.55 4.02 4.24 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 0.00 0.00 1.21 0.00 0.00 80 F 8.00 4.32 0.00 1.58 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 81 I 8.16 3.61 2.01 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 2.04 1.53 0.94 0.00 0.00 82 H 8.22 4.26 0.00 3.43 3.51 0.00 5.78 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 83 A 7.94 3.89 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 84 L 7.68 3.77 0.00 1.59 1.47 -0.15 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.76 4.55 0.00 2.68 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 86 N 7.61 5.03 0.00 2.46 2.65 0.00 0.00 6.90 8.90 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 87 W 8.31 4.56 0.00 3.36 2.99 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 88 K 7.60 4.06 0.00 1.78 1.63 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 0.96 7.81 89 G 5.38 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 6.24 4.44 0.00 2.33 2.33 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 91 V 7.80 4.35 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 0.80 0.00 0.00 0.93 0.00 0.00 92 K 8.00 4.26 0.00 1.87 1.98 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.53 7.81 93 W 8.30 4.26 0.00 3.45 3.52 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 94 A 8.66 4.02 1.87 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 95 K 7.98 3.74 0.00 2.05 1.66 0.00 1.52 0.00 0.00 1.49 0.00 0.00 2.64 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 1.16 7.81 96 S 7.98 4.34 0.00 4.05 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 0.00 97 W 8.27 3.66 0.00 2.42 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 98 Y 8.06 4.12 0.00 2.92 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 99 V 7.80 3.62 2.33 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 1.27 0.00 0.00 1.25 0.00 0.00 100 N 8.19 4.21 0.00 2.65 2.62 0.00 0.00 6.53 8.01 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 0.00 101 H 7.81 3.41 0.00 1.83 2.78 0.00 5.78 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 0.00 102 I 6.74 3.60 1.39 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.13 0.78 0.00 0.00 103 K 6.48 2.48 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.16 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.42 7.81 104 T 7.02 4.32 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 1.34 0.00 0.00 105 I 7.25 3.68 1.44 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 1.33 0.85 0.46 0.00 0.00 106 D 7.96 3.77 0.00 2.57 2.49 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 0.00 107 F 8.05 4.34 0.00 2.85 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 0.00 108 K 7.40 4.14 0.00 1.99 1.73 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.32 7.81 109 Y 7.67 4.88 0.00 2.53 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 0.00 110 K 7.65 4.50 0.00 1.93 1.84 0.00 1.06 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.73 1.52 7.81 111 G 9.94 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 0.00 112 K 8.42 4.75 0.00 2.08 2.10 0.00 2.20 0.00 0.00 2.07 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.56 7.81 113 I 7.59 4.07 1.60 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 -0.36 0.56 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.