NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1514 8.0249 120.7873 60.7827 39.1779 174.6192 3 Q 4.5315 8.4734 124.6184 52.2703 31.8703 173.4645 4 S 4.8998 9.1846 116.7191 56.6537 67.1926 172.9711 5 Q 4.6345 8.5814 121.0077 54.6424 30.2022 175.8870 6 I 4.4539 8.1737 111.1225 60.1619 38.8774 174.7791 7 N 4.9712 7.8353 120.5426 51.3393 41.1647 174.8845 8 R 4.1001 8.5236 122.0881 58.6709 29.7783 178.3632 9 N 4.3546 8.9090 117.9981 55.7466 38.4031 177.3032 10 I 3.6821 7.3905 121.0421 64.6397 37.1985 178.6564 11 R 4.0264 7.8949 118.1732 58.9882 29.9720 178.9402 12 L 4.0058 8.2797 119.2870 57.5984 41.5393 179.1483 13 D 4.3582 8.5282 119.6218 57.0516 40.7144 178.3835 14 L 3.8982 7.9674 120.6932 58.1985 42.0337 178.8399 15 A 4.1508 8.2530 120.8543 55.4076 18.2779 179.3181 16 D 4.2870 8.2136 117.1160 57.4053 40.8004 178.9025 17 A 3.9948 8.0265 121.2761 55.1399 18.3180 179.5914 18 I 3.6346 8.1997 118.7324 64.7455 37.2046 178.6759 19 L 3.9942 8.2153 119.8498 57.5506 41.2977 179.4650 20 L 3.9137 7.9058 120.4299 58.1239 42.0767 178.7700 21 S 4.0487 8.2327 113.3181 61.3237 62.2864 176.0506 22 K 3.7993 8.3765 122.3176 59.4926 32.0016 178.6762 23 A 3.9626 8.1218 121.0592 55.1072 18.0878 179.8078 24 K 3.9697 8.2165 116.4089 59.0782 32.2000 178.9071 25 K 4.1675 7.9036 116.3442 55.5518 32.7457 175.9225 26 D 4.3027 7.6026 117.6677 55.1217 40.0579 173.1067 27 L 4.7499 7.9427 115.8112 52.6483 43.8179 177.2940 28 S 4.6138 8.2045 115.5428 56.9300 66.5503 175.3336 29 F 4.2515 8.3654 121.0924 60.6227 38.6886 177.6658 30 A 4.0780 8.1646 120.0356 55.4349 17.6978 179.4171 31 E 4.0086 8.3685 116.9370 59.4423 29.3315 179.5450 32 I 3.7666 7.7505 119.0015 64.1782 37.4753 177.8370 33 A 4.3146 8.1120 120.6983 52.6728 18.4446 176.9108 34 D 4.4381 7.1699 117.4317 56.0012 41.4835 176.5882 35 G 4.0464 9.0949 115.1340 45.6646 0.0000 174.0755 36 T 4.0641 8.0009 115.9827 64.0221 68.8763 176.7382 37 G 3.8199 8.4102 108.0936 45.2249 0.0000 172.9513 38 L 4.7278 6.9597 118.8221 52.0759 44.7016 176.9107 39 A 4.1713 8.2738 122.7845 52.1277 20.2646 178.6289 40 E 3.9400 8.8497 122.6622 59.4050 29.7910 179.4030 41 A 3.9121 7.9569 120.4348 54.8093 18.4639 179.2895 42 F 3.8965 8.1042 118.9040 61.2782 39.6418 177.5958 43 V 3.5978 8.0339 117.9212 66.2714 31.3644 178.0822 44 T 3.7465 8.1298 115.4515 66.5636 68.1549 176.4026 45 A 3.8364 7.8782 122.3617 54.9412 18.3105 179.5253 46 A 4.1552 7.6344 120.5289 54.8348 18.2371 179.7930 47 L 3.9959 7.7596 116.2290 57.6824 41.7115 178.8029 48 L 4.4772 7.6164 116.4342 54.5645 41.6555 177.5596 49 G 3.9541 8.2098 107.2387 45.4751 0.0000 174.3445 50 Q 4.5301 8.1095 116.2068 55.4347 30.0604 174.8151 51 Q 4.6141 7.4503 115.9263 54.5070 33.7718 172.9080 52 A 4.9134 8.4854 121.8722 50.4526 21.1931 176.3407 53 L 4.7058 8.7418 121.9354 52.7317 43.6943 175.2344 54 P 4.3596 0.0000 0.0000 62.5568 32.2448 177.3478 55 A 4.0035 8.6233 122.1595 55.4997 18.2303 180.0095 56 D 4.2757 8.0984 116.7363 57.5149 40.9043 178.7160 57 A 4.0064 8.0408 120.5893 54.9165 18.3837 179.3302 58 A 3.9516 8.3354 119.6729 55.4515 18.4846 180.1217 59 R 3.8661 8.2626 116.7529 59.1626 30.1566 179.0083 60 L 3.9563 8.1082 120.2184 58.4440 42.1633 179.5889 61 V 3.8121 8.2188 112.6548 64.1664 31.4399 178.8338 62 G 3.6263 8.3745 105.6326 47.6015 0.0000 175.7280 63 A 4.0078 8.1256 123.0715 54.9547 18.2316 179.7847 64 K 3.9158 7.8117 115.7855 59.1201 32.2414 178.5759 65 L 4.3810 7.7909 115.8127 53.4023 42.5557 175.9219 66 D 4.3816 7.6581 117.4250 55.2696 38.7350 173.9223 67 L 4.3137 8.2175 118.0008 54.1832 43.0216 177.5533 68 D 4.7490 8.1788 121.0643 52.5794 42.3284 177.2820 69 E 4.0209 8.4998 118.3090 59.5421 29.3035 179.2544 70 D 4.3875 8.0486 118.6099 57.4556 40.9323 178.8468 71 S 4.1313 8.6956 115.9611 61.5370 62.5893 176.7003 72 I 3.7272 7.6416 121.7461 64.1954 37.2047 177.8480 73 L 4.2292 8.0686 121.1629 58.2876 41.7175 179.1167 74 L 4.0389 7.9282 117.9811 57.7368 41.7559 179.2515 75 L 4.1707 8.0906 118.7919 56.7544 42.5509 177.2858 76 Q 4.6860 7.4125 118.8684 53.6501 27.2627 174.5724 *78 I 3.9041 7.3877 119.5285 60.3078 38.7981 174.2714 79 P 4.6496 0.0000 0.0000 61.7358 32.3299 176.0155 80 L 4.1876 8.1450 121.5593 54.3334 41.1407 176.6262 81 R 4.2290 8.4006 125.1851 55.5028 31.0127 175.0609 82 G 3.0080 8.2251 107.9186 44.9524 0.0000 173.2397 83 C 4.3536 8.1211 122.1479 58.1134 30.7399 174.1471 84 I 4.1573 7.4050 122.0128 60.1452 37.8542 174.9125 85 D 4.4564 8.8709 125.4015 57.1356 41.6265 176.5245 86 D 4.6405 7.3309 114.8995 53.1073 41.4552 173.7789 87 R 4.3064 8.1865 127.0990 56.5113 29.1502 177.0834 88 I 4.1329 7.1485 115.8281 58.3060 39.2594 174.0051 89 P 4.4468 0.0000 0.0000 62.9259 31.8425 176.3978 90 T 4.2157 8.3029 111.0097 63.1402 69.8456 175.0884 91 D 4.5244 7.9466 121.5247 53.1191 42.1564 173.9327 92 P 4.4962 0.0000 0.0000 66.2626 31.5281 178.8922 93 T 3.7836 7.5490 108.3243 65.1180 68.1512 174.1781 *95 Y 4.6615 7.8880 124.9824 57.7071 40.4110 177.3436 96 R 4.0388 8.0475 117.7992 59.2067 30.0303 178.7429 97 F 4.1709 8.0454 116.6023 60.4185 39.2605 176.5757 98 Y 4.1277 7.9376 118.8825 60.2052 38.7606 178.6254 99 E 4.0306 8.0642 122.3260 55.7018 29.6122 178.5565 *101 L 4.2230 7.9737 118.9075 54.5675 43.8897 179.5823 102 Q 3.8094 7.6103 116.7380 58.6574 28.8988 178.0213 103 V 3.5942 7.8874 116.9088 65.2204 31.8638 176.2583 104 Y 4.6107 7.7104 114.2105 57.5555 38.9725 177.6368 105 G 3.6645 8.3604 109.6860 48.0392 0.0000 176.3419 106 T 3.9986 7.8301 111.6640 64.6740 68.8208 176.8681 107 T 3.9174 7.8693 118.3346 66.3469 68.5054 176.4522 108 L 3.9858 8.4924 121.3553 57.6073 41.6196 179.2653 109 K 3.7410 8.1169 119.2145 59.6385 32.1408 178.5900 110 A 4.0166 8.2277 120.9811 55.2924 18.2789 179.6355 111 L 4.0623 8.3620 117.7012 57.4042 41.5697 179.9457 112 V 3.7828 8.1212 118.9362 66.4622 31.3945 177.8255 113 H 4.9326 8.2709 117.4399 58.3739 28.2642 177.5221 114 E 3.9493 8.1660 120.3856 59.2380 29.6111 178.6411 115 K 3.9792 8.1843 117.3823 57.9573 32.2267 178.0411 116 F 4.2857 9.0427 115.9417 60.6597 41.3948 175.1471 117 G 3.9005 7.3973 103.5600 43.7289 0.0000 172.1296 118 D 4.6388 8.5623 119.3816 54.5941 42.2854 176.2125 119 G 3.9842 7.9145 111.0342 45.2566 0.0000 172.2923 120 I 4.8040 8.3858 114.4144 59.2904 41.8158 174.4962 121 I 4.6181 8.0947 123.4782 59.7766 38.0918 175.9557 122 S 4.2254 9.2205 122.8859 58.3673 62.8260 173.7339 123 A 3.9091 8.4839 127.5537 52.0467 19.2506 177.1194 124 I 4.2724 8.0159 117.0214 63.3016 38.9863 176.6829 125 N 4.7692 7.8150 122.7416 52.1253 37.9763 172.0056 126 F 5.2512 7.9743 122.3601 56.7208 42.8671 172.6723 127 K 4.5999 8.2344 124.7186 54.3141 36.2345 175.1429 128 L 5.2597 8.0930 121.8599 54.2202 43.8392 175.1003 129 D 4.8041 8.7113 118.4655 52.0190 43.3650 173.9588 130 V 4.8155 8.3585 119.6242 61.1813 33.7455 174.7264 131 K 4.7274 9.1541 126.9718 54.4214 35.9843 174.8642 132 K 4.8773 8.6360 124.6684 54.9713 33.5945 175.4653 133 V 4.5613 8.5744 127.1263 60.6036 34.5618 174.6124 134 A 4.5393 8.6686 129.1379 52.1733 19.3605 176.0709 135 D 4.7446 8.9042 122.1691 52.4809 42.1001 175.9690 136 P 4.2723 0.0000 0.0000 65.6133 31.5815 176.9148 137 E 4.1575 8.4877 116.8306 56.1787 29.5300 176.4211 138 G 4.0380 8.4549 107.0499 45.4377 0.0000 176.0048 139 G 3.8466 9.0829 107.6099 44.3557 0.0000 171.9658 140 E 5.1842 8.3673 116.5529 54.7945 33.7755 175.3997 141 R 4.8036 9.1841 120.4369 54.4079 34.5320 174.0825 142 A 4.9964 8.5986 123.4961 50.5725 20.9090 176.6122 143 V 4.2093 8.7732 123.1740 61.4078 33.4558 174.3161 144 I 4.8592 8.3915 129.2536 59.9951 39.1347 175.2956 145 T 4.5344 8.7391 124.4334 61.8605 70.5561 173.4746 146 L 4.7384 8.5575 126.8404 53.2575 43.4631 175.7577 147 D 4.6437 8.5993 123.8016 52.4364 43.4912 174.2049 148 G 4.6657 8.5512 112.0265 43.7508 0.0000 170.7755 149 K 4.3317 8.8530 123.9031 56.1583 33.5430 175.3503 150 Y 4.7213 8.6118 128.6764 57.4037 39.7278 174.2346 151 L 4.4780 8.5263 127.0835 52.0386 44.2722 174.3801 152 P 4.6415 0.0000 0.0000 62.7414 32.5591 175.6908 153 T 4.5892 8.6642 118.6083 62.1038 70.0892 174.2158 154 K 4.6340 8.5103 125.0091 53.4379 35.8726 174.4128 155 P 4.3959 0.0000 0.0000 62.8106 31.9475 176.7260 156 F 4.5583 7.7572 114.0516 57.1863 37.9923 174.6774 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 I 8.02 4.15 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.36 0.91 0.00 0.00 3 Q 8.47 4.53 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 4 S 9.18 4.90 0.00 3.91 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 5 Q 8.58 4.63 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 6 I 8.17 4.45 1.87 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 1.30 0.67 0.91 0.00 0.00 7 N 7.84 4.97 0.00 2.77 2.66 0.00 0.00 6.96 7.65 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 8 R 8.52 4.10 0.00 2.06 2.28 0.00 3.11 0.00 0.00 3.32 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 9 N 8.91 4.35 0.00 2.82 2.90 0.00 0.00 6.83 6.82 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 10 I 7.39 3.68 1.87 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 1.52 0.81 0.91 0.00 0.00 11 R 7.89 4.03 0.00 1.81 1.96 0.00 3.28 0.00 0.00 3.52 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 12 L 8.28 4.01 0.00 1.67 1.71 0.91 1.33 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 13 D 8.53 4.36 0.00 2.88 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 14 L 7.97 3.90 0.00 1.77 1.85 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.25 4.15 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 16 D 8.21 4.29 0.00 2.88 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 17 A 8.03 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 I 8.20 3.63 2.07 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 1.53 0.85 0.95 0.00 0.00 19 L 8.22 3.99 0.00 1.83 1.75 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.91 3.91 0.00 1.77 1.80 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.23 4.05 0.00 3.91 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 22 K 8.38 3.80 0.00 1.75 1.88 0.00 1.18 0.00 0.00 1.18 0.00 0.00 2.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.21 7.81 23 A 8.12 3.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.22 3.97 0.00 1.85 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.59 7.81 25 K 7.90 4.17 0.00 1.70 1.82 0.00 1.92 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.52 7.81 26 D 7.60 4.30 0.00 2.77 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 4.75 0.00 1.55 1.44 0.88 0.58 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 28 S 8.20 4.61 0.00 4.05 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 29 F 8.37 4.25 0.00 3.21 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 30 A 8.16 4.08 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 31 E 8.37 4.01 0.00 2.03 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 2.33 2.35 0.00 32 I 7.75 3.77 2.06 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.54 0.96 0.00 0.00 33 A 8.11 4.31 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 34 D 7.17 4.44 0.00 2.77 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 35 G 9.09 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 0.00 0.00 0.00 36 T 8.00 4.06 4.49 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 1.33 0.00 0.00 37 G 8.41 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 38 L 6.96 4.73 0.00 1.85 1.64 1.04 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.27 4.17 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 40 E 8.85 3.94 0.00 2.08 1.98 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 2.41 2.60 0.00 41 A 7.96 3.91 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 42 F 8.10 3.90 0.00 3.19 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 43 V 8.03 3.60 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 1.04 0.00 0.00 1.08 0.00 0.00 44 T 8.13 3.75 4.03 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 0.35 0.00 0.00 45 A 7.88 3.84 1.18 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 0.00 0.00 46 A 7.63 4.16 1.20 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 0.00 0.00 47 L 7.76 4.00 0.00 1.85 1.85 1.16 0.94 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 48 L 7.62 4.48 0.00 1.54 1.63 0.74 0.86 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 49 G 8.21 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 0.00 0.00 0.00 50 Q 8.11 4.53 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.63 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 51 Q 7.45 4.61 0.00 1.39 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.04 1.50 0.00 52 A 8.49 4.91 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 53 L 8.74 4.71 0.00 1.64 1.65 0.95 1.06 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 54 P 0.00 4.36 0.00 2.20 2.00 0.00 3.71 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 55 A 8.62 4.00 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 56 D 8.10 4.28 0.00 2.71 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 57 A 8.04 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.34 3.95 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 59 R 8.26 3.87 0.00 2.01 2.00 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 60 L 8.11 3.96 0.00 1.87 1.83 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.22 3.81 2.11 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 0.93 0.00 0.00 1.04 0.00 0.00 62 G 8.37 3.63 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 0.00 0.00 0.00 63 A 8.13 4.01 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 64 K 7.81 3.92 0.00 1.93 1.89 0.00 1.70 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 1.48 1.67 7.81 65 L 7.79 4.38 0.00 1.74 1.69 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.66 4.38 0.00 2.81 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 67 L 8.22 4.31 0.00 1.59 1.59 0.93 1.01 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 68 D 8.18 4.75 0.00 2.94 2.81 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 0.00 0.00 0.00 69 E 8.50 4.02 0.00 2.00 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 2.40 2.34 0.00 70 D 8.05 4.39 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 71 S 8.70 4.13 0.00 3.98 3.91 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 72 I 7.64 3.73 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.60 0.92 0.00 0.00 73 L 8.07 4.23 0.00 1.85 1.88 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.93 4.04 0.00 1.79 1.72 0.92 1.30 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 75 L 8.09 4.17 0.00 1.87 1.73 0.93 0.86 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 76 Q 7.41 4.69 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.40 0.00 0.00 0.00 0.00 0.00 2.54 2.30 0.00 *78 I 7.39 3.90 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.78 0.92 0.00 0.00 79 P 0.00 4.65 0.00 2.19 2.05 0.00 3.76 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 1.95 1.92 0.00 80 L 8.14 4.19 0.00 1.62 1.65 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.40 4.23 0.00 1.82 1.87 0.00 3.24 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 82 G 8.23 3.01 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 83 C 8.12 4.35 0.00 3.05 3.02 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 0.00 0.00 0.00 84 I 7.41 4.16 1.85 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 1.29 0.55 0.89 0.00 0.00 85 D 8.87 4.46 0.00 2.61 2.69 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 86 D 7.33 4.64 0.00 2.58 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 0.00 0.00 0.00 0.00 87 R 8.19 4.31 0.00 1.99 2.07 0.00 3.21 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 88 I 7.15 4.13 1.74 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.72 0.58 0.00 0.00 89 P 0.00 4.45 0.00 2.17 2.04 0.00 3.38 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 90 T 8.30 4.22 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 1.19 0.00 0.00 91 D 7.95 4.52 0.00 2.68 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 92 P 0.00 4.50 0.00 2.26 2.13 0.00 3.69 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 93 T 7.55 3.78 4.49 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 1.36 0.00 0.00 *95 Y 7.89 4.66 0.00 3.20 3.21 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 96 R 8.05 4.04 0.00 1.54 1.74 0.00 3.40 0.00 0.00 3.38 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.78 0.00 97 F 8.05 4.17 0.00 3.09 3.13 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 0.00 0.00 0.00 0.00 98 Y 7.94 4.13 0.00 2.94 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.06 4.03 0.00 1.90 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 2.29 2.37 0.00 *101 L 7.97 4.22 0.00 1.59 1.59 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.61 3.81 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.95 0.00 0.00 0.00 0.00 0.00 1.68 2.20 0.00 103 V 7.89 3.59 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 0.18 0.00 0.00 0.89 0.00 0.00 104 Y 7.71 4.61 0.00 3.01 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.36 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 0.00 0.00 0.00 106 T 7.83 4.00 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 1.20 0.00 0.00 107 T 7.87 3.92 4.61 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 1.34 0.00 0.00 108 L 8.49 3.99 0.00 1.82 1.72 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.12 3.74 0.00 1.82 1.99 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.45 7.81 110 A 8.23 4.02 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 0.00 111 L 8.36 4.06 0.00 1.77 1.76 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.12 3.78 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 1.04 0.00 0.00 0.95 0.00 0.00 113 H 8.27 4.93 0.00 3.25 3.32 0.00 5.68 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 0.00 114 E 8.17 3.95 0.00 1.99 1.98 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 2.29 2.33 0.00 115 K 8.18 3.98 0.00 1.72 1.20 0.00 1.72 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.50 7.81 116 F 9.04 4.29 0.00 2.43 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 0.00 117 G 7.40 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 0.00 118 D 8.56 4.64 0.00 2.71 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 0.00 119 G 7.91 3.98 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 0.00 0.00 0.00 120 I 8.39 4.80 1.85 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 1.19 0.77 0.92 0.00 0.00 121 I 8.09 4.62 1.81 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 1.08 0.69 0.91 0.00 0.00 122 S 9.22 4.23 0.00 3.89 3.98 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 0.00 123 A 8.48 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 I 8.02 4.27 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 1.16 0.95 0.93 0.00 0.00 125 N 7.82 4.77 0.00 2.80 2.75 0.00 0.00 6.54 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 0.00 126 F 7.97 5.25 0.00 3.11 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 0.00 127 K 8.23 4.60 0.00 1.44 1.43 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.23 1.22 7.81 128 L 8.09 5.26 0.00 1.72 1.32 1.07 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.71 4.80 0.00 2.69 2.69 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 0.00 130 V 8.36 4.82 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 0.88 0.00 0.00 0.91 0.00 0.00 131 K 9.15 4.73 0.00 1.70 1.64 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.48 7.81 132 K 8.64 4.88 0.00 1.77 1.72 0.00 1.92 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.43 7.81 133 V 8.57 4.56 2.09 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 0.96 0.00 0.00 0.94 0.00 0.00 134 A 8.67 4.54 1.24 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 0.00 0.00 135 D 8.90 4.74 0.00 2.73 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 0.00 136 P 0.00 4.27 0.00 2.22 2.17 0.00 3.81 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 137 E 8.49 4.16 0.00 2.06 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 2.34 2.25 0.00 138 G 8.45 4.04 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 0.00 0.00 0.00 139 G 9.08 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 0.00 0.00 0.00 140 E 8.37 5.18 0.00 1.81 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 2.21 2.33 0.00 141 R 9.18 4.80 0.00 1.68 1.77 0.00 3.24 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 142 A 8.60 5.00 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 0.00 143 V 8.77 4.21 2.09 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 1.06 0.00 0.00 0.94 0.00 0.00 144 I 8.39 4.86 2.00 0.00 0.00 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 1.42 0.83 1.00 0.00 0.00 145 T 8.74 4.53 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 1.18 0.00 0.00 146 L 8.56 4.74 0.00 1.66 1.98 1.02 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.60 4.64 0.00 2.59 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 0.00 148 G 8.55 4.67 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 0.00 0.00 0.00 149 K 8.85 4.33 0.00 1.93 1.70 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.44 7.81 150 Y 8.61 4.72 0.00 2.50 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 0.00 151 L 8.53 4.48 0.00 1.45 1.38 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.64 0.00 2.04 1.89 0.00 3.45 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.88 0.00 153 T 8.66 4.59 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 1.30 0.00 0.00 154 K 8.51 4.63 0.00 1.74 1.71 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.44 7.81 155 P 0.00 4.40 0.00 2.01 1.91 0.00 3.64 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 2.02 2.05 0.00 156 F 7.76 4.56 0.00 3.03 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 * Residues marked with a * may have inaccurate shift predictions.