NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2119 8.3444 118.8226 55.3700 30.5613 174.6266 3 C 2.4500 7.6767 120.2485 57.6968 31.8124 171.3674 4 P 4.3124 0.0000 0.0000 62.5224 33.8670 176.8745 5 I 3.6145 8.2558 121.8623 64.4695 37.0939 178.5257 6 E 3.9550 8.1111 117.9598 59.7074 29.2668 178.9263 7 D 4.4366 8.0115 119.3571 56.7148 41.0383 178.1904 8 R 3.6446 7.9574 119.5269 59.7038 29.9796 178.6066 9 L 3.8276 7.9680 118.2071 57.4662 41.5559 179.3512 10 A 3.9930 7.9528 120.8509 55.2104 18.1179 179.8449 11 I 3.4878 7.3476 117.2566 64.4510 37.2115 178.2615 12 Q 3.5436 7.4957 117.6044 58.9918 28.6380 178.5057 13 D 4.4431 8.2679 120.1469 56.9665 40.6375 178.8272 14 L 4.0858 7.6660 117.0305 56.2713 41.7615 178.4059 *16 I 4.0923 7.7485 119.9256 60.9529 39.2978 177.8542 17 A 3.9900 8.3864 122.3733 55.1078 18.0406 178.9381 18 Y 4.0681 8.4134 118.1428 60.8942 38.9169 178.2251 19 A 3.8897 8.1652 121.0757 55.4963 18.3020 178.8922 20 H 3.9884 8.2889 115.4277 59.2275 30.0973 176.9931 21 A 4.1076 8.1466 122.6466 55.2986 18.3235 179.8015 22 V 3.7003 7.6898 116.8012 66.1172 31.3540 177.3469 23 D 4.7160 7.8224 116.5340 55.7861 40.8998 178.1611 24 T 3.8298 7.6782 111.2312 62.3725 68.4589 175.1020 25 V 2.8718 7.0998 119.3399 62.7008 30.6552 172.3509 26 S 4.3279 6.2487 111.1448 57.5859 69.7690 174.8974 27 D 4.6378 7.9987 122.3910 52.7302 38.9964 176.3498 28 I 3.8931 8.0548 125.5226 64.0205 37.5540 177.1656 29 D 4.3676 8.2064 119.0775 57.2749 40.4523 178.5136 30 A 4.0191 8.1743 120.4913 55.0261 18.7700 179.5620 31 V 3.7231 7.6867 116.2482 66.3223 31.6493 178.3377 32 L 4.1183 8.2478 118.9274 57.7773 41.1881 178.9302 33 D 4.5022 8.0260 117.0452 56.8598 41.3301 178.1020 34 V 3.5972 7.8862 118.4022 64.1004 31.5276 175.2812 35 F 5.3012 7.4443 116.6986 55.3669 40.6160 175.6668 36 T 4.2823 8.6048 114.6148 61.3655 69.2956 175.4341 37 E 4.0039 8.6898 121.3858 58.4258 29.6369 177.6475 38 D 4.8256 7.9182 116.6822 52.7184 40.0198 176.0528 39 A 4.4492 7.8299 122.0224 52.6388 19.9109 177.3202 40 V 4.4773 8.6861 121.6483 61.3784 33.7108 174.4973 41 F 4.7367 9.3752 131.7807 56.5370 40.6483 172.8268 42 D 4.6445 8.5976 126.2849 51.7102 42.5556 175.1527 43 L 4.1964 7.5696 124.7966 53.8859 42.3370 178.9949 44 S 4.5838 7.6346 117.1202 60.6454 62.7643 176.8848 45 G 3.5475 7.9870 108.6269 47.6963 0.0000 173.8318 46 I 3.8722 7.7696 118.6901 60.6827 37.4890 176.4076 47 G 3.9717 8.3477 108.6842 45.5848 0.0000 173.6095 48 L 4.6920 7.3356 118.9742 52.7498 43.5428 176.2041 49 T 4.1823 8.3064 118.5812 63.0227 68.9763 172.7435 50 P 4.6744 0.0000 0.0000 63.1660 32.5018 175.3984 51 Q 4.6881 9.2904 119.1571 54.3596 33.5724 174.1367 52 V 4.6273 8.0243 120.2077 62.1928 35.2927 176.3609 53 G 3.9937 9.3838 115.1232 45.5078 0.0000 174.2454 54 H 4.1455 8.6715 114.7767 58.6026 28.5076 177.9375 55 A 4.0996 8.0803 122.3242 55.1786 18.2918 179.8176 56 G 3.4807 7.6890 102.7591 48.0387 0.0000 176.0814 57 I 3.3103 7.5653 122.5255 63.7945 36.9235 178.5298 58 R 4.0017 8.5780 122.5484 59.8960 29.7910 179.0195 59 E 3.9272 8.1545 118.1630 61.0418 29.7587 180.5593 60 F 4.0144 8.0657 122.0129 61.4171 39.3144 177.3681 61 F 3.6268 8.0941 116.5333 59.9292 38.6935 178.0207 62 T 3.8832 8.0387 116.2113 66.5145 67.9763 176.0886 63 N 4.1991 7.5060 117.6310 56.4734 39.4409 176.7895 64 V 3.7423 7.1807 119.5638 66.2524 31.3638 178.1215 65 F 4.6336 8.2229 116.1203 60.4945 38.7575 177.2647 66 A 4.2285 7.9906 119.8009 54.4253 18.2726 177.6802 67 N 4.7268 7.7970 113.5606 53.8439 39.2011 177.0468 *69 S 4.3598 8.1334 115.7593 58.3737 65.4910 173.5520 70 H 5.0485 8.0628 114.7616 54.3907 33.0337 172.2865 71 H 5.5550 8.8375 116.8448 54.3185 32.9177 173.0663 72 A 4.5031 8.5471 123.8757 51.2227 21.4425 175.6071 73 H 4.9343 8.9852 121.3983 54.1043 30.0260 172.6474 74 Y 4.3051 8.8487 121.6587 57.4914 39.0887 174.5053 75 L 5.0736 8.6035 124.1979 53.1456 44.3642 175.7280 76 T 4.2243 7.9174 112.7420 59.7980 73.2044 172.9751 77 N 4.0858 8.4362 115.1433 53.8174 35.8391 175.0202 78 F 4.5314 7.9671 115.4789 58.0464 39.6866 175.3268 79 A 4.6607 8.8944 124.9515 50.1188 21.9885 175.5885 80 V 4.0721 8.5948 123.3515 62.7271 31.5685 175.8629 81 T 4.4289 8.8871 118.7665 62.0794 69.8579 174.9962 82 G 4.2087 7.6437 109.2677 45.1576 0.0000 171.8149 83 Y 4.9369 8.2802 122.1967 56.4566 41.5892 174.7516 84 E 4.4925 8.9373 125.4709 55.7583 30.2397 176.4786 85 G 4.0901 5.8031 113.6542 43.3049 0.0000 173.8496 86 D 4.8126 7.8399 116.7124 53.2522 43.0135 175.4508 87 T 5.4755 7.6319 108.3610 60.3435 72.8803 172.3390 88 A 5.0042 8.7094 122.6889 51.6254 23.5923 174.8540 89 S 5.5285 8.8221 114.6282 55.6707 67.9391 173.3081 *91 R 4.5396 8.3289 119.2135 56.6217 31.2583 173.8796 92 A 4.8367 8.5570 125.1289 50.3562 23.2741 174.8987 93 Y 4.8734 8.7329 118.0191 57.4596 39.8430 175.1799 94 V 4.7820 8.8061 121.8711 59.9694 35.0524 174.7766 95 I 4.3452 8.8452 124.7857 60.0565 38.4681 174.9394 96 G 4.2119 9.1394 115.4554 44.4385 0.0000 171.4184 *98 G 4.4277 8.3606 107.4214 45.8936 0.0000 172.0477 99 V 4.9746 8.5257 120.5043 59.5394 34.7034 175.6626 100 G 4.1382 9.2636 112.4069 45.5005 0.0000 174.8312 101 K 4.1725 9.1639 120.1387 58.2862 32.0915 178.0681 102 D 4.5314 8.0779 116.2152 53.3094 39.6852 177.2384 103 G 3.9607 8.2850 109.0190 45.3090 0.0000 173.7897 104 R 4.3635 8.1584 119.9063 55.6170 31.5531 175.8636 105 A 5.1520 8.6207 125.4264 51.1357 21.0203 176.2505 106 V 4.8619 8.6820 119.1205 60.4270 35.0650 175.1290 107 T 4.8902 9.4571 119.6507 62.0428 72.5464 172.7495 108 V 4.6871 9.1470 127.4296 61.4510 33.8236 174.1828 109 N 5.2138 8.9734 125.9523 52.4811 40.1951 173.5289 110 G 3.9202 8.3748 112.4402 45.5061 0.0000 169.9505 111 R 5.0049 8.2415 118.3912 54.5412 33.4074 174.9585 112 Y 5.1590 8.7833 121.1969 56.7872 40.5385 174.7578 113 F 5.1640 9.5311 122.0000 56.0209 42.0957 173.9111 114 F 5.4310 9.1595 122.9567 55.9293 41.4220 174.7273 115 E 4.9471 9.0976 123.2564 55.2640 31.5749 175.6473 116 V 5.1921 8.9106 115.9168 59.8118 36.6307 174.4602 117 R 5.1659 9.3781 122.3319 54.5866 33.8716 174.1202 118 R 3.5221 8.6261 127.2838 55.9871 30.5247 175.4912 119 T 4.6171 8.1455 116.8100 59.2584 71.5919 174.6207 120 E 3.9845 8.6800 119.7449 58.7499 29.4015 178.2892 121 K 4.3499 8.1477 116.7808 55.9553 32.5815 176.0021 122 G 3.7794 7.7164 106.8173 43.7823 0.0000 173.1352 123 W 4.6263 8.3893 118.3687 56.9063 29.6672 175.9018 124 K 4.9618 9.1876 121.0820 54.5367 36.6965 175.1593 125 A 4.8351 8.9389 125.3525 52.0618 19.2176 178.2781 126 T 4.3321 9.0947 112.5568 61.6962 71.3101 174.6071 127 R 5.1084 7.6455 121.3388 55.0749 34.0115 172.9556 128 Y 5.2534 8.9079 126.3287 56.3531 42.1846 174.1972 129 T 5.1752 8.8651 116.0970 59.2083 73.1367 172.0982 *131 D 4.6356 8.4352 119.8239 53.6812 40.4899 173.7024 132 F 5.1056 8.4105 117.0610 56.3221 40.4394 176.1920 133 L 4.3505 8.6826 123.3483 54.6571 41.9094 175.0412 *135 P 3.8586 0.0000 0.0000 61.4385 32.4052 176.0881 136 L 3.7489 7.7451 123.3703 55.7276 42.4644 176.7563 137 S 4.4996 8.5559 121.7180 60.6850 63.3581 172.2039 138 G 3.8814 9.0259 112.8016 44.7427 0.0000 171.1993 139 T 4.7827 8.1903 107.9738 60.1327 72.0150 173.1927 140 L 4.8120 8.1856 120.1664 54.7354 42.6325 178.7123 141 D 4.3992 7.8816 120.9549 57.7355 40.7869 178.8120 142 N 4.4209 8.1921 113.9330 55.1773 38.6466 175.3685 143 A 4.1950 7.6963 119.6041 51.9098 19.6741 177.2766 144 K 4.2032 7.7400 120.7589 56.2948 32.3337 176.1431 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 Q 8.34 4.21 0.00 2.26 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.67 0.00 3 C 7.68 2.45 0.00 2.59 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 4 P 0.00 4.31 0.00 2.30 1.94 0.00 3.31 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.15 0.00 5 I 8.26 3.61 1.83 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 1.64 0.55 0.86 0.00 0.00 6 E 8.11 3.96 0.00 2.20 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 2.39 2.39 0.00 7 D 8.01 4.44 0.00 2.80 2.75 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 8 R 7.96 3.64 0.00 1.70 1.99 0.00 2.99 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 9 L 7.97 3.83 0.00 1.66 1.61 0.87 0.78 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 10 A 7.95 3.99 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 11 I 7.35 3.49 1.50 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 -0.36 0.72 0.00 0.00 12 Q 7.50 3.54 0.00 1.72 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.97 0.00 0.00 0.00 0.00 0.00 1.32 2.15 0.00 13 D 8.27 4.44 0.00 2.77 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.67 4.09 0.00 1.91 1.85 1.02 1.05 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 *16 I 7.75 4.09 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.68 0.93 0.00 0.00 17 A 8.39 3.99 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 18 Y 8.41 4.07 0.00 3.08 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 19 A 8.17 3.89 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 20 H 8.29 3.99 0.00 3.23 3.49 0.00 5.77 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.15 4.11 1.34 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 0.00 0.00 22 V 7.69 3.70 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 1.04 0.00 0.00 0.25 0.00 0.00 23 D 7.82 4.72 0.00 2.80 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 24 T 7.68 3.83 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 1.13 0.00 0.00 25 V 7.10 2.87 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 0.65 0.00 0.00 0.83 0.00 0.00 26 S 6.25 4.33 0.00 3.84 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 27 D 8.00 4.64 0.00 2.66 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 28 I 8.05 3.89 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.02 0.96 0.00 0.00 29 D 8.21 4.37 0.00 2.85 2.75 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 30 A 8.17 4.02 1.42 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 31 V 7.69 3.72 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 0.64 0.00 0.00 0.68 0.00 0.00 32 L 8.25 4.12 0.00 1.85 1.52 0.94 1.19 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 33 D 8.03 4.50 0.00 2.85 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 34 V 7.89 3.60 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 0.37 0.00 0.00 1.01 0.00 0.00 35 F 7.44 5.30 0.00 3.12 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 36 T 8.60 4.28 4.34 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 1.31 0.00 0.00 37 E 8.69 4.00 0.00 1.96 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 2.26 2.19 0.00 38 D 7.92 4.83 0.00 2.77 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 39 A 7.83 4.45 1.57 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 40 V 8.69 4.48 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 0.87 0.00 0.00 0.92 0.00 0.00 41 F 9.38 4.74 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 42 D 8.60 4.64 0.00 2.64 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 43 L 7.57 4.20 0.00 1.42 1.33 0.61 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.63 4.58 0.00 3.97 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 45 G 7.99 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.77 3.87 1.80 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.68 0.82 0.00 0.00 47 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 48 L 7.34 4.69 0.00 1.69 1.70 1.08 0.86 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 49 T 8.31 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 50 P 0.00 4.67 0.00 2.03 2.15 0.00 3.69 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 1.96 1.96 0.00 51 Q 9.29 4.69 0.00 1.87 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 52 V 8.02 4.63 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 0.99 0.00 0.00 0.92 0.00 0.00 53 G 9.38 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 0.00 0.00 0.00 54 H 8.67 4.15 0.00 3.19 3.37 0.00 5.65 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 55 A 8.08 4.10 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 56 G 7.69 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 0.00 0.00 0.00 57 I 7.57 3.31 1.61 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.63 0.49 0.00 0.00 58 R 8.58 4.00 0.00 1.87 2.15 0.00 3.12 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 59 E 8.15 3.93 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 2.24 2.19 0.00 60 F 8.07 4.01 0.00 2.89 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 61 F 8.09 3.63 0.00 2.92 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 0.00 0.00 0.00 62 T 8.04 3.88 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 1.23 0.00 0.00 63 N 7.51 4.20 0.00 2.54 2.73 0.00 0.00 7.20 9.06 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 64 V 7.18 3.74 1.61 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 1.16 0.00 0.00 0.10 0.00 0.00 65 F 8.22 4.63 0.00 3.10 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 66 A 7.99 4.23 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 67 N 7.80 4.73 0.00 2.88 2.97 0.00 0.00 6.90 7.03 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 *69 S 8.13 4.36 0.00 3.89 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 70 H 8.06 5.05 0.00 3.04 3.13 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 8.84 5.55 0.00 3.03 3.50 0.00 5.69 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 72 A 8.55 4.50 1.12 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 0.00 0.00 0.00 0.00 0.00 73 H 8.99 4.93 0.00 3.03 3.36 0.00 5.85 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.85 4.31 0.00 2.94 2.85 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 75 L 8.60 5.07 0.00 1.53 1.23 1.06 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.92 4.22 4.07 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 1.15 0.00 0.00 77 N 8.44 4.09 0.00 1.92 2.14 0.00 0.00 6.87 7.45 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 78 F 7.97 4.53 0.00 2.88 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 79 A 8.89 4.66 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 80 V 8.59 4.07 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 0.87 0.00 0.00 0.84 0.00 0.00 81 T 8.89 4.43 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 1.38 0.00 0.00 82 G 7.64 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 0.00 0.00 0.00 0.00 83 Y 8.28 4.94 0.00 2.98 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 84 E 8.94 4.49 0.00 1.93 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 2.20 2.34 0.00 85 G 5.80 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 86 D 7.84 4.81 0.00 2.51 2.53 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 87 T 7.63 5.48 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 1.24 0.00 0.00 88 A 8.71 5.00 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 89 S 8.82 5.53 0.00 3.88 3.95 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 *91 R 8.33 4.54 0.00 2.07 1.90 0.00 3.26 0.00 0.00 3.58 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 92 A 8.56 4.84 0.79 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 93 Y 8.73 4.87 0.00 2.74 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 94 V 8.81 4.78 1.16 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 0.66 0.00 0.00 0.86 0.00 0.00 95 I 8.85 4.35 1.94 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 1.14 0.63 0.93 0.00 0.00 96 G 9.14 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 0.00 0.00 0.00 0.00 *98 G 8.36 4.43 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 0.00 99 V 8.53 4.97 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 0.80 0.00 0.00 0.97 0.00 0.00 100 G 9.26 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 9.16 4.17 0.00 1.73 1.89 0.00 1.78 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 102 D 8.08 4.53 0.00 2.79 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 0.00 103 G 8.28 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 0.00 0.00 0.00 104 R 8.16 4.36 0.00 1.93 1.88 0.00 3.32 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 105 A 8.62 5.15 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 0.00 106 V 8.68 4.86 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 0.89 0.00 0.00 1.12 0.00 0.00 107 T 9.46 4.89 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 1.26 0.00 0.00 108 V 9.15 4.69 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 1.14 0.00 0.00 1.14 0.00 0.00 109 N 8.97 5.21 0.00 2.79 2.75 0.00 0.00 6.79 7.60 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 0.00 110 G 8.37 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 0.00 0.00 0.00 111 R 8.24 5.00 0.00 1.69 1.18 0.00 3.07 0.00 0.00 2.94 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.28 0.00 112 Y 8.78 5.16 0.00 2.80 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 0.00 113 F 9.53 5.16 0.00 3.02 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 0.00 114 F 9.16 5.43 0.00 2.91 2.98 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 0.00 115 E 9.10 4.95 0.00 1.93 1.92 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 2.34 2.46 0.00 116 V 8.91 5.19 2.48 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 0.93 0.00 0.00 0.88 0.00 0.00 117 R 9.38 5.17 0.00 1.87 1.76 0.00 3.09 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 118 R 8.63 3.52 0.00 0.72 1.33 0.00 3.03 0.00 0.00 3.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 119 T 8.15 4.62 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 1.25 0.00 0.00 120 E 8.68 3.98 0.00 1.95 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 2.25 0.00 121 K 8.15 4.35 0.00 1.73 1.79 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.34 7.81 122 G 7.72 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 0.00 0.00 0.00 123 W 8.39 4.63 0.00 3.32 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 0.00 124 K 9.19 4.96 0.00 1.66 1.76 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.55 7.81 125 A 8.94 4.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 T 9.09 4.33 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 1.28 0.00 0.00 127 R 7.65 5.11 0.00 1.87 1.76 0.00 3.11 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 1.57 1.72 0.00 128 Y 8.91 5.25 0.00 2.43 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 0.00 129 T 8.87 5.18 4.12 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 0.00 0.00 1.08 0.00 0.00 *131 D 8.44 4.64 0.00 3.01 2.98 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 0.00 132 F 8.41 5.11 0.00 3.10 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 0.00 133 L 8.68 4.35 0.00 1.63 1.60 0.11 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 *135 P 0.00 3.86 0.00 1.97 1.89 0.00 3.65 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.01 0.00 136 L 7.75 3.75 0.00 1.05 1.37 1.18 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 137 S 8.56 4.50 0.00 4.10 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 0.00 138 G 9.03 3.88 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 0.00 139 T 8.19 4.78 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 0.00 140 L 8.19 4.81 0.00 1.80 1.78 1.17 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 141 D 7.88 4.40 0.00 2.76 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 0.00 142 N 8.19 4.42 0.00 2.74 2.89 0.00 0.00 6.79 7.35 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 0.00 143 A 7.70 4.19 1.38 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 0.00 0.00 144 K 7.74 4.20 0.00 1.89 1.72 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.26 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.61 7.81 * Residues marked with a * may have inaccurate shift predictions.