NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.8229 8.0932 114.8195 57.6534 64.6457 174.1047 2 L 3.8275 8.4837 120.5756 57.6463 41.1548 179.4825 3 F 3.9839 8.8674 118.8678 60.6544 39.2441 177.2941 4 E 4.1228 8.1179 117.7603 59.0173 29.2640 178.8723 5 L 4.0464 8.1617 120.5883 58.1307 42.2309 179.1498 6 G 3.6220 8.4703 105.9203 47.6989 0.0000 175.3304 7 K 3.8764 7.9389 122.2703 59.5125 32.2899 178.5938 8 M 3.8772 8.2553 119.1823 58.4734 31.8185 178.8990 9 I 3.5679 7.7976 119.8525 64.2473 36.8413 178.3031 10 L 4.2530 7.8877 122.5378 57.6142 41.6719 179.0362 11 Q 3.7512 8.0277 117.5685 58.7319 28.5289 178.3867 12 E 4.2322 8.3325 118.9493 59.6827 29.9332 179.0124 13 T 4.2213 8.4330 109.5652 63.4070 69.1339 176.4204 *15 G 4.1940 7.6654 107.4050 44.4964 0.0000 172.2107 16 K 4.4201 7.8716 119.8691 53.9657 34.3044 175.2121 17 N 4.5095 8.5004 120.1623 53.3376 39.5554 173.9531 18 P 4.4252 0.0000 0.0000 65.9557 31.6388 178.1129 19 A 3.9509 7.9436 120.4373 54.7388 18.1308 179.3935 20 K 3.8394 7.8589 116.0104 59.6174 32.4668 178.4805 21 S 4.5419 7.9208 115.4397 59.1907 63.0339 174.4596 22 Y 4.9147 8.0000 115.4184 57.1811 39.7494 176.4520 23 G 3.7303 8.3859 110.0546 47.9095 0.0000 173.8759 24 A 4.4725 7.3297 121.9655 50.8510 19.9536 172.9386 25 Y 4.9618 9.0396 122.0709 56.0678 42.8247 175.0963 26 G 3.6503 8.3756 117.4197 47.4987 0.0000 173.6140 27 C 4.7675 10.2987 119.0308 56.9679 41.4404 174.1372 28 N 4.8208 8.9126 114.7498 53.0468 40.6690 173.7892 29 C 4.6074 8.7099 116.5629 58.0002 40.6216 172.0306 30 G 3.8160 7.8009 115.1164 44.0560 0.0000 173.6485 31 V 4.5677 8.2615 118.0350 61.3350 32.5791 175.5797 32 L 4.7583 7.8433 118.1643 54.5571 42.8595 178.3048 33 G 3.7787 8.0476 108.7920 46.2046 0.0000 173.0999 34 R 4.7478 7.9902 118.5561 54.8404 32.8518 175.2744 35 G 4.0137 8.8462 106.2847 45.3208 0.0000 173.2476 36 K 4.0201 8.9738 122.5381 55.9341 32.4303 174.9449 37 P 4.4107 0.0000 0.0000 63.2731 31.7408 176.8047 38 K 3.9407 8.6847 120.9842 58.2208 32.6078 175.9633 39 D 4.2800 7.2327 115.9538 51.5565 41.8289 176.2491 40 A 3.9401 8.4126 120.0381 55.8762 17.9629 179.5075 41 T 3.8181 7.9823 112.1293 67.0890 68.8437 175.5929 42 D 4.6045 9.3803 120.2832 57.4695 41.2338 178.1810 43 R 3.8969 8.4320 119.5716 59.6201 30.0219 177.6559 44 C 4.2175 8.2420 116.2905 60.5007 36.9068 175.6174 45 C 4.1482 8.1637 117.5431 59.4878 40.8790 175.6756 46 Y 3.8614 7.8364 121.2305 60.7530 38.5946 177.6539 47 V 3.7148 7.9649 119.2129 66.1678 31.5033 177.4717 48 H 4.0022 8.2422 117.9836 59.2468 29.7747 177.5107 49 K 3.6437 7.7584 120.2291 59.5033 31.5673 178.8141 50 C 4.2428 7.8534 116.1524 59.8060 40.1020 174.9108 51 C 4.3552 8.0856 119.9640 59.8876 44.4042 174.8598 52 Y 4.3914 8.1012 118.3941 61.2579 36.9965 178.8145 53 K 3.7841 7.9529 118.6938 59.2392 31.8936 178.8685 *57 K 4.4018 7.7766 115.3869 55.8444 34.0073 176.1318 58 L 4.1798 7.7587 119.0565 54.4694 42.0857 176.6943 59 T 4.3715 8.4387 110.9466 62.4302 70.2632 171.8512 60 G 4.2168 9.1959 115.7525 45.5036 0.0000 172.1749 61 C 4.3564 7.6201 113.1116 54.3884 43.3667 172.1379 *67 D 4.9061 8.2444 118.9769 53.6471 41.2264 174.4940 68 P 3.9211 0.0000 0.0000 65.0199 31.8125 178.8163 69 K 4.0059 8.5038 119.6856 58.2787 32.4425 178.2215 70 K 4.1632 8.1245 117.8606 57.6071 33.1267 176.0234 71 D 4.6150 8.1660 119.6588 53.5673 41.0917 176.5124 72 R 4.3319 8.4231 123.7717 56.1352 30.9833 175.0795 73 Y 4.9708 7.6605 117.1476 55.9177 41.4231 173.3972 74 S 5.1852 9.6417 116.8263 57.2723 65.1572 173.2696 75 Y 5.5763 8.4253 120.6289 55.7382 41.1121 174.1470 76 S 4.7756 9.4003 115.8571 56.2817 66.4283 174.0603 77 W 5.5568 8.3938 128.5852 56.1560 31.0605 174.9729 78 K 3.8967 8.1490 118.0517 57.8298 31.7043 176.2055 79 D 4.3939 9.0571 124.4075 55.1327 38.4824 173.4066 80 K 2.0000 6.9399 114.3464 56.8109 30.2005 175.4825 81 T 4.6471 6.6894 106.2349 59.8859 72.6712 173.2731 82 I 5.0029 8.7047 124.8895 60.8799 38.3327 175.1871 83 V 4.4515 9.1024 128.1169 60.9924 33.8591 174.0001 84 C 4.8791 9.0272 126.3393 56.6118 40.5995 174.0759 85 G 3.9000 9.0247 111.8276 46.2381 0.0000 173.0928 86 E 4.1090 9.2139 121.2739 59.1487 29.9166 177.8650 87 N 3.8869 7.8834 114.1018 54.2283 37.8970 172.6594 88 N 4.7528 8.2298 115.8245 51.8708 40.1155 173.7234 *90 P 4.3643 0.0000 0.0000 62.8159 33.5014 179.9229 91 C 4.2506 8.0365 117.0971 59.5950 42.9408 175.4801 92 L 3.8768 7.7869 120.2064 57.4471 41.2929 179.0439 93 K 3.7652 8.4865 120.0208 59.5955 32.0924 178.4726 94 E 3.8695 8.2658 119.5335 58.8710 29.4932 178.3492 95 L 3.8230 8.0750 120.8708 58.3768 42.1796 178.0493 96 C 3.3823 7.6076 119.7885 58.9023 44.5580 175.5077 97 E 3.9402 8.0924 119.9735 59.3550 28.9628 178.7202 98 C 4.3360 8.2572 116.8676 60.2029 38.9888 175.9059 99 D 4.3422 8.0774 120.4974 57.0260 40.3835 178.6678 100 K 3.8042 8.5165 120.4060 59.4214 32.2010 178.6689 101 A 3.9662 8.1392 121.3025 55.1926 18.3185 180.0320 102 V 3.5055 7.9435 117.4635 64.5376 31.5347 178.4398 103 A 3.7894 8.1967 121.8560 55.0381 18.1368 179.7130 104 I 3.8033 7.9456 118.4932 64.6532 37.2374 177.9099 105 C 4.5085 8.1311 120.6593 59.0782 43.2330 175.5433 106 L 3.7765 7.6159 119.6039 57.6011 41.4057 179.1786 107 R 4.0047 7.8394 118.4828 59.7310 29.9694 178.1870 108 E 4.0166 8.3899 118.6176 58.8117 29.5054 178.4075 109 N 5.0824 7.7264 113.8374 52.8226 39.4042 176.3441 110 L 4.1286 8.1378 122.1544 57.8939 41.8553 179.8318 111 G 3.8155 8.3021 106.6192 48.0057 0.0000 173.8644 112 T 4.5660 7.6633 106.6055 60.9529 69.5854 173.6574 113 Y 4.0972 7.9126 124.6008 58.4159 39.3937 174.8356 114 N 5.0381 8.9046 124.7309 51.6749 41.3351 175.0593 115 K 4.0666 8.8412 126.4352 58.9603 32.3361 179.0434 116 K 3.8891 8.2249 117.4685 58.8065 32.4715 177.0539 117 Y 4.2996 7.3884 116.8914 58.1324 38.4831 175.9343 118 R 4.4721 7.4877 119.9162 56.2041 30.6580 175.2622 119 Y 4.8725 7.7332 118.5331 55.7321 41.0678 174.4083 120 H 4.5830 8.7315 118.9500 57.4179 30.7034 174.4942 121 L 4.6959 7.4688 119.3176 52.5159 43.3835 176.5128 122 K 2.6790 8.3026 124.2264 55.3308 32.8857 175.1316 123 P 4.3845 0.0000 0.0000 61.3063 33.6504 174.0759 *125 F 4.5486 8.3691 112.3915 57.4795 38.5247 174.8998 126 C 4.8293 8.5969 122.2517 54.8594 41.4859 174.1420 127 K 4.0631 8.7282 123.5629 56.4642 33.3280 175.9153 *129 K 4.4183 8.3671 121.6459 56.1168 32.8782 175.4931 130 A 4.3239 8.7443 129.9886 51.8929 19.1489 176.8222 131 D 4.5761 8.7321 120.7439 53.8857 41.5393 175.2823 132 P 4.3861 0.0000 0.0000 62.7409 32.0362 177.3223 133 C 4.4499 8.6629 117.3657 57.4995 41.0624 173.8059 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 S 8.09 4.82 0.00 4.30 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 0.00 2 L 8.48 3.83 0.00 1.61 1.55 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.87 3.98 0.00 3.07 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 4 E 8.12 4.12 0.00 1.58 1.81 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 1.57 2.39 0.00 5 L 8.16 4.05 0.00 2.05 1.88 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.47 3.62 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 7 K 7.94 3.88 0.00 2.03 2.07 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.43 7.81 8 M 8.26 3.88 0.00 1.89 2.14 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 1.98 0.00 9 I 7.80 3.57 1.97 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.17 0.88 0.00 0.00 10 L 7.89 4.25 0.00 1.72 1.76 0.90 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.03 3.75 0.00 1.35 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 1.61 2.13 0.00 12 E 8.33 4.23 0.00 1.95 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 0.00 2.40 2.48 0.00 13 T 8.43 4.22 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 1.17 0.00 0.00 *15 G 7.67 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 0.00 0.00 0.00 16 K 7.87 4.42 0.00 1.80 1.49 0.00 1.43 0.00 0.00 1.45 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.45 1.19 7.81 17 N 8.50 4.51 0.00 2.73 2.65 0.00 0.00 6.83 7.71 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 18 P 0.00 4.43 0.00 2.33 2.33 0.00 3.74 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 19 A 7.94 3.95 1.31 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 0.00 0.00 20 K 7.86 3.84 0.00 1.71 1.77 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.49 7.81 21 S 7.92 4.54 0.00 3.19 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.00 4.91 0.00 3.03 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 23 G 8.39 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 24 A 7.33 4.47 0.35 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 25 Y 9.04 4.96 0.00 3.17 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 26 G 8.38 3.65 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 0.00 0.00 0.00 27 C 10.30 4.77 0.00 3.03 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 28 N 8.91 4.82 0.00 3.03 2.84 0.00 0.00 6.98 7.62 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 29 C 8.71 4.61 0.00 3.44 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.80 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 31 V 8.26 4.57 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.99 0.00 0.00 32 L 7.84 4.76 0.00 1.68 1.64 1.00 1.05 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 33 G 8.05 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 0.00 0.00 0.00 34 R 7.99 4.75 0.00 1.61 1.88 0.00 2.31 0.00 0.00 2.81 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.45 0.00 35 G 8.85 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 36 K 8.97 4.02 0.00 1.75 1.77 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.38 7.81 37 P 0.00 4.41 0.00 1.95 2.01 0.00 3.53 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00 38 K 8.68 3.94 0.00 0.93 0.74 0.00 1.85 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.05 7.81 39 D 7.23 4.28 0.00 2.85 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 40 A 8.41 3.94 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.98 3.82 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 1.03 0.00 0.00 42 D 9.38 4.60 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.43 3.90 0.00 2.10 1.95 0.00 3.04 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 44 C 8.24 4.22 0.00 3.08 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 45 C 8.16 4.15 0.00 3.19 3.30 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 46 Y 7.84 3.86 0.00 3.02 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.96 3.71 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 0.97 0.00 0.00 1.10 0.00 0.00 48 H 8.24 4.00 0.00 3.21 3.29 0.00 5.66 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 49 K 7.76 3.64 0.00 1.77 1.68 0.00 1.85 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.56 7.81 50 C 7.85 4.24 0.00 2.99 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 51 C 8.09 4.36 0.00 3.09 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 52 Y 8.10 4.39 0.00 3.11 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 53 K 7.95 3.78 0.00 1.86 1.86 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.70 1.58 7.81 *57 K 7.78 4.40 0.00 1.95 1.91 0.00 1.80 0.00 0.00 1.05 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.60 7.81 58 L 7.76 4.18 0.00 1.61 1.54 0.70 0.73 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 59 T 8.44 4.37 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 1.20 0.00 0.00 60 G 9.20 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 7.62 4.36 0.00 3.31 3.20 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 *67 D 8.24 4.91 0.00 2.71 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 68 P 0.00 3.92 0.00 1.48 0.49 0.00 3.51 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 69 K 8.50 4.01 0.00 1.82 1.80 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.41 7.81 70 K 8.12 4.16 0.00 1.76 1.88 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.47 7.81 71 D 8.17 4.61 0.00 2.91 2.66 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 72 R 8.42 4.33 0.00 1.78 1.88 0.00 3.35 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.47 0.00 73 Y 7.66 4.97 0.00 3.31 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 74 S 9.64 5.19 0.00 3.85 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 8.43 5.58 0.00 3.16 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 76 S 9.40 4.78 0.00 3.92 4.05 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 77 W 8.39 5.56 0.00 3.34 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 78 K 8.15 3.90 0.00 1.82 1.66 0.00 1.91 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.45 7.81 79 D 9.06 4.39 0.00 2.71 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 80 K 6.94 2.00 0.00 1.51 1.39 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.94 1.01 7.81 81 T 6.69 4.65 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 1.10 0.00 0.00 82 I 8.70 5.00 2.01 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 1.54 1.16 0.86 0.00 0.00 83 V 9.10 4.45 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.98 0.00 0.00 84 C 9.03 4.88 0.00 3.08 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 85 G 9.02 3.90 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 0.00 0.00 0.00 86 E 9.21 4.11 0.00 1.95 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 0.00 2.32 2.38 0.00 87 N 7.88 3.89 0.00 2.93 2.80 0.00 0.00 6.79 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 88 N 8.23 4.75 0.00 2.90 2.94 0.00 0.00 5.96 7.76 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 *90 P 0.00 4.36 0.00 2.21 2.16 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 91 C 8.04 4.25 0.00 2.97 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 92 L 7.79 3.88 0.00 1.74 1.75 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.49 3.77 0.00 2.06 1.97 0.00 1.49 0.00 0.00 1.93 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.46 7.81 94 E 8.27 3.87 0.00 2.10 2.12 0.00 0.00 0.00 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 2.29 0.00 95 L 8.08 3.82 0.00 1.72 1.66 0.67 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 96 C 7.61 3.38 0.00 1.70 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 97 E 8.09 3.94 0.00 2.11 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 2.51 2.46 0.00 98 C 8.26 4.34 0.00 3.43 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 99 D 8.08 4.34 0.00 2.95 2.78 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 0.00 100 K 8.52 3.80 0.00 1.69 1.96 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.47 7.81 101 A 8.14 3.97 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 0.00 102 V 7.94 3.51 1.89 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 0.41 0.00 0.00 0.73 0.00 0.00 103 A 8.20 3.79 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 0.00 104 I 7.95 3.80 1.86 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 1.43 0.72 0.94 0.00 0.00 105 C 8.13 4.51 0.00 3.07 3.17 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 0.00 0.00 0.00 106 L 7.62 3.78 0.00 1.45 1.12 0.03 0.45 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 0.00 107 R 7.84 4.00 0.00 1.89 2.10 0.00 3.17 0.00 0.00 3.43 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 108 E 8.39 4.02 0.00 2.17 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 0.00 2.35 2.49 0.00 109 N 7.73 5.08 0.00 2.87 2.83 0.00 0.00 6.90 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.14 4.13 0.00 1.83 1.76 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.30 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 0.00 112 T 7.66 4.57 4.33 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 1.26 0.00 0.00 113 Y 7.91 4.10 0.00 3.15 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.90 5.04 0.00 2.89 2.74 0.00 0.00 6.93 7.27 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 0.00 115 K 8.84 4.07 0.00 1.88 1.92 0.00 1.83 0.00 0.00 2.00 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.87 1.57 7.81 116 K 8.22 3.89 0.00 1.59 1.78 0.00 1.28 0.00 0.00 1.41 0.00 0.00 2.29 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.71 0.48 7.81 117 Y 7.39 4.30 0.00 1.66 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 0.00 0.00 0.00 118 R 7.49 4.47 0.00 1.92 1.81 0.00 3.30 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.74 0.00 119 Y 7.73 4.87 0.00 3.17 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 0.00 120 H 8.73 4.58 0.00 3.11 3.36 0.00 5.73 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 0.00 121 L 7.47 4.70 0.00 1.65 1.53 0.62 0.72 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 0.00 122 K 8.30 2.68 0.00 1.20 1.40 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.90 0.31 7.81 123 P 0.00 4.38 0.00 1.04 1.50 0.00 3.01 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 *125 F 8.37 4.55 0.00 3.24 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 0.00 126 C 8.60 4.83 0.00 2.78 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 0.00 127 K 8.73 4.06 0.00 1.69 1.77 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.42 7.81 *129 K 8.37 4.42 0.00 1.81 1.78 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 130 A 8.74 4.32 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 0.00 0.00 0.00 0.00 0.00 131 D 8.73 4.58 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 0.00 132 P 0.00 4.39 0.00 2.06 2.00 0.00 3.73 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 2.05 2.14 0.00 133 C 8.66 4.45 0.00 2.91 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 * Residues marked with a * may have inaccurate shift predictions.