NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.3079 8.1400 114.8234 57.7921 64.5655 173.9748 2 L 4.0474 8.6456 121.9129 57.3335 41.5954 177.2688 3 L 3.9677 8.4053 120.7085 58.3433 42.4900 178.4758 4 E 4.0967 8.0184 117.7944 59.3268 29.4449 178.8608 5 F 4.6498 8.5649 120.8711 61.4951 39.4885 177.3219 6 G 3.5680 8.7561 105.6573 47.6555 0.0000 175.5211 7 K 4.0335 8.0943 121.5200 59.5507 32.2236 178.8113 8 M 4.0918 8.2446 118.9442 58.4717 31.7962 178.7604 9 I 3.6051 7.9368 120.1783 64.2941 37.2827 178.2888 10 L 4.2590 7.9495 122.4102 57.7799 41.7234 178.8485 11 E 4.0298 8.2605 117.5766 59.2545 29.4463 178.6037 12 E 4.3018 8.3054 117.7246 57.8718 30.0120 177.8163 13 T 4.5422 8.1753 107.6955 60.3473 70.4677 175.3815 14 G 3.7512 7.9021 109.5845 46.1367 0.0000 173.1104 *16 K 4.2566 7.4518 117.3344 55.8849 33.4460 174.8786 17 L 4.3007 8.1209 121.4377 53.8468 42.8260 177.4495 18 A 3.9799 8.9302 126.9615 54.9915 18.3576 177.0881 19 I 4.6279 7.7112 116.0337 59.4243 38.2816 173.8326 20 P 5.3671 0.0000 0.0000 61.8689 32.0841 177.3497 21 S 4.1054 7.9195 115.4931 60.7857 62.7250 174.7134 22 Y 4.5186 8.1676 115.8440 57.4838 38.3806 176.1858 23 S 4.4235 7.9406 114.7451 58.2930 64.4077 175.4027 24 S 4.4545 7.7559 114.2661 58.2708 64.1889 172.0580 25 Y 4.6217 8.1615 122.8964 57.8288 39.7274 175.9933 26 G 3.3640 7.9477 117.0005 46.2999 0.0000 172.7324 27 C 4.4176 9.2773 116.1366 58.6253 40.6556 174.0552 28 Y 4.2854 8.7549 114.8169 57.8536 39.5206 175.4093 29 C 4.6549 8.7704 118.1217 58.0507 39.9436 172.1062 30 G 3.2151 7.0047 117.5830 44.4845 0.0000 169.9492 31 W 4.7557 8.0242 125.1831 55.2667 32.8409 173.4916 32 G 4.2279 9.8259 109.9477 45.9226 0.0000 174.8537 33 G 4.2240 8.2101 109.4268 44.1237 0.0000 172.1511 34 K 4.6213 7.6484 123.0811 56.2246 35.6523 176.4219 35 G 4.2568 9.0441 106.5906 44.8595 0.0000 172.6882 36 T 4.3612 7.9649 115.0205 61.1930 69.4533 173.5772 37 P 4.5862 0.0000 0.0000 63.2358 31.8142 176.6510 38 K 3.9769 8.6060 120.9943 58.2696 32.6328 175.8704 39 D 4.4029 7.1661 115.9152 51.4124 41.8480 175.5822 40 A 3.9871 8.5935 119.8269 55.9259 18.1276 179.9049 41 T 3.9506 7.9700 113.7583 66.8746 68.5765 176.2850 42 D 4.4956 8.8878 120.3272 57.4238 41.1165 178.5193 43 R 3.9890 8.2609 118.8925 59.2787 30.0297 178.2400 44 C 4.2823 8.3244 116.4617 60.3580 41.3818 175.6424 45 C 4.4221 8.2169 117.7516 59.8733 39.4487 175.7796 46 F 3.6683 8.3730 122.3409 61.3175 38.8283 177.3823 47 V 3.3016 8.0817 117.9972 65.9574 31.2330 177.3973 48 H 3.7825 8.0250 118.0201 59.1856 29.5916 176.9339 49 D 4.1488 7.9258 120.5843 57.6413 40.4491 178.1865 50 C 4.0401 7.3912 115.5445 59.8741 34.5769 175.1849 51 C 4.2770 8.0044 120.1951 59.9908 44.3716 175.2675 52 Y 4.2874 7.9279 118.4542 61.0655 37.1791 178.8715 53 G 3.6835 8.0838 105.8046 47.2848 0.0000 174.5141 54 N 4.6888 7.7734 115.9271 53.4411 40.2469 174.9768 55 L 4.8563 7.8102 120.4485 52.8626 42.0173 176.0116 56 P 4.2954 0.0000 0.0000 65.3442 31.9031 177.5215 57 D 4.6001 7.9806 116.5973 54.4772 41.0945 176.3538 58 C 4.8639 7.8375 117.2033 55.5649 38.9379 174.1693 59 N 4.8472 9.0808 117.3914 50.5488 39.0287 173.5676 60 P 4.1333 0.0000 0.0000 64.9797 31.9441 178.4800 *69 K 4.3929 7.9614 117.6440 55.5585 33.6040 176.0035 70 S 4.5988 7.8048 109.1788 57.6356 64.5226 173.4823 71 D 4.4756 8.5473 121.9279 54.1712 40.0943 176.3106 72 R 4.5161 8.3233 123.7171 55.8537 31.2443 175.2449 73 Y 4.8878 7.7767 116.6503 56.1313 41.1856 173.8253 74 K 4.8871 8.7572 119.4963 54.9440 34.4966 175.2433 75 Y 5.4196 8.5151 121.5109 55.3509 41.5935 173.8525 76 K 4.6109 9.0908 118.9930 55.5493 37.1640 174.6093 77 R 5.1452 8.5134 118.6277 54.4322 32.2902 176.2064 78 V 4.2657 8.4437 123.3346 62.0185 33.9975 174.8015 79 N 4.2647 9.9649 125.3432 54.6470 37.1972 175.0018 80 G 3.9613 8.6135 104.2510 44.8157 0.0000 173.9411 81 A 4.7739 7.6725 122.5963 49.9066 21.2077 175.9750 82 I 4.3979 8.2484 121.8620 61.5339 38.1098 175.7278 83 V 4.3388 9.0491 127.0653 61.1723 34.1331 173.8669 84 C 4.9088 8.8937 126.3258 56.2664 40.2318 173.6425 85 E 4.3091 8.5577 124.3015 55.5977 29.8112 177.4129 86 K 3.8114 8.6661 123.7288 56.8475 33.3187 175.3158 *88 G 4.3674 8.3102 115.4590 45.1610 0.0000 172.6700 89 T 4.1264 8.4456 113.7972 61.3320 70.8582 175.6848 90 S 4.0715 8.5350 117.6654 62.0794 62.7769 177.6348 91 C 4.2083 8.1409 118.4104 60.1161 41.2016 175.9036 92 E 3.9412 8.2311 119.8934 59.5329 29.0795 179.2512 93 N 4.2087 8.3248 116.6057 56.3833 38.6085 177.7921 94 R 3.8391 7.9946 119.3952 59.2174 30.1007 179.2055 95 I 3.6261 7.8582 119.9122 64.3960 37.0551 177.5762 96 C 3.2756 7.6166 119.2197 59.4975 44.3003 175.5705 97 E 3.8001 8.0625 120.0406 59.3560 28.9377 178.7352 98 C 4.1516 8.0085 116.6579 60.0612 41.2748 175.9234 99 D 3.5593 7.9976 120.4586 56.8594 40.3690 178.6490 100 K 3.7243 8.2453 120.3021 59.4999 32.1319 178.6149 101 A 3.8565 7.9148 120.6760 55.0172 18.2501 179.5185 102 A 3.4430 7.7326 119.0090 55.0573 18.4167 179.7327 103 A 3.5769 7.9087 119.3714 55.2109 18.3105 180.0019 104 I 3.6544 7.6075 118.4016 64.3626 36.9243 177.7085 105 C 4.1729 7.9211 118.6690 59.6719 38.2247 175.2533 106 F 4.5711 8.1352 119.6645 60.7134 38.5068 177.5537 107 R 3.9109 8.0277 118.0440 59.7737 29.7278 178.6155 108 Q 4.1734 8.2984 116.2864 57.9921 28.8386 177.0964 109 N 5.1464 7.6245 116.0498 52.8882 39.4236 176.5420 110 L 4.1462 8.0193 122.4252 57.7490 41.8028 179.2994 111 N 4.4452 8.3445 115.1837 55.1607 37.1270 175.4660 112 T 4.5348 7.7011 106.5356 60.9712 69.4289 173.2698 113 Y 4.0091 8.0101 124.6515 58.1952 39.0746 174.7059 114 S 4.7263 8.9224 122.3443 56.0707 64.4022 174.8025 115 K 3.9665 8.7590 127.8760 58.8807 32.0419 179.1322 116 K 3.8609 7.2909 116.8480 59.2079 32.5080 177.2715 117 Y 4.2122 7.4272 116.5109 58.0812 38.1718 175.4888 118 M 4.3918 7.4808 120.0215 55.6471 33.0139 175.6640 119 L 3.5955 7.9976 118.7143 55.9228 39.8991 175.1020 120 Y 4.2688 7.8153 118.3692 55.9585 39.6002 173.1563 121 P 3.9957 0.0000 0.0000 62.0930 32.3890 176.4568 122 D 4.0960 8.5927 122.5734 57.2917 40.9504 178.4526 *124 F 4.8187 7.8281 109.9856 56.3205 39.4785 175.1587 125 L 4.3688 6.8973 120.2066 55.4394 41.6817 176.3760 126 C 4.9166 8.0358 116.3353 54.4938 37.1084 172.9326 127 K 4.6961 8.2711 122.6831 55.2006 35.4568 176.2721 128 G 4.2955 8.7257 108.4613 45.0289 0.0000 172.3217 129 E 4.9093 8.5579 119.3626 54.2485 31.3678 176.1648 130 L 4.5842 8.3930 126.0422 52.5840 42.0720 175.0258 131 K 4.2689 8.3127 125.4858 56.2433 33.1214 175.7255 132 C 4.4340 8.4704 118.6024 56.0264 42.1579 173.6149 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 8.14 5.31 0.00 4.18 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 2 L 8.65 4.05 0.00 2.12 1.90 1.12 0.40 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 3 L 8.41 3.97 0.00 1.88 1.65 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.02 4.10 0.00 1.72 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 0.00 1.85 2.26 0.00 5 F 8.56 4.65 0.00 3.33 3.14 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 6 G 8.76 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 7 K 8.09 4.03 0.00 2.11 2.21 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.55 7.81 8 M 8.24 4.09 0.00 2.06 2.33 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 1.93 0.00 9 I 7.94 3.61 1.87 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.38 0.84 0.00 0.00 10 L 7.95 4.26 0.00 1.78 1.84 0.99 0.73 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 11 E 8.26 4.03 0.00 2.19 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 2.40 2.56 0.00 12 E 8.31 4.30 0.00 1.96 1.99 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 2.48 2.41 0.00 13 T 8.18 4.54 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 1.27 0.00 0.00 14 G 7.90 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 *16 K 7.45 4.26 0.00 1.92 1.65 0.00 1.35 0.00 0.00 1.03 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.44 7.81 17 L 8.12 4.30 0.00 1.71 1.72 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.93 3.98 1.26 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 0.00 0.00 0.00 0.00 0.00 19 I 7.71 4.63 1.97 0.00 0.00 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 1.74 0.83 1.02 0.00 0.00 20 P 0.00 5.37 0.00 2.23 2.31 0.00 3.87 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 21 S 7.92 4.11 0.00 3.77 3.31 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 22 Y 8.17 4.52 0.00 2.69 2.55 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 23 S 7.94 4.42 0.00 3.99 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 24 S 7.76 4.45 0.00 4.02 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 25 Y 8.16 4.62 0.00 2.97 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 26 G 7.95 3.36 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 0.00 27 C 9.28 4.42 0.00 2.89 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 28 Y 8.75 4.29 0.00 3.14 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 29 C 8.77 4.65 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 30 G 7.00 3.22 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 31 W 8.02 4.76 0.00 3.55 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 32 G 9.83 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 0.00 0.00 0.00 0.00 33 G 8.21 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 34 K 7.65 4.62 0.00 2.04 1.78 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.55 7.81 35 G 9.04 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.96 4.36 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 1.15 0.00 0.00 37 P 0.00 4.59 0.00 1.92 2.00 0.00 3.41 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 38 K 8.61 3.98 0.00 0.79 0.91 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.04 0.60 7.81 39 D 7.17 4.40 0.00 2.77 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 40 A 8.59 3.99 1.41 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 0.00 0.00 0.00 41 T 7.97 3.95 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 0.76 0.00 0.00 42 D 8.89 4.50 0.00 2.87 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 8.26 3.99 0.00 2.10 1.99 0.00 3.16 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.88 0.00 44 C 8.32 4.28 0.00 3.52 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 45 C 8.22 4.42 0.00 3.33 3.43 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 46 F 8.37 3.67 0.00 2.50 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 47 V 8.08 3.30 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 0.90 0.00 0.00 1.02 0.00 0.00 48 H 8.03 3.78 0.00 3.12 3.31 0.00 5.65 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 D 7.93 4.15 0.00 2.66 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 50 C 7.39 4.04 0.00 2.76 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 51 C 8.00 4.28 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 4.29 0.00 3.10 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 53 G 8.08 3.68 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 0.00 0.00 0.00 54 N 7.77 4.69 0.00 2.90 2.84 0.00 0.00 6.77 7.30 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 55 L 7.81 4.86 0.00 1.69 1.50 0.87 0.75 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 56 P 0.00 4.30 0.00 2.16 2.18 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 57 D 7.98 4.60 0.00 2.66 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 58 C 7.84 4.86 0.00 2.95 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 59 N 9.08 4.85 0.00 2.85 2.65 0.00 0.00 7.44 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 60 P 0.00 4.13 0.00 1.40 0.85 0.00 3.39 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.27 0.00 *69 K 7.96 4.39 0.00 1.82 1.91 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.52 7.81 70 S 7.80 4.60 0.00 3.97 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 71 D 8.55 4.48 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 72 R 8.32 4.52 0.00 1.79 1.91 0.00 3.21 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 73 Y 7.78 4.89 0.00 3.07 2.94 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 0.00 0.00 0.00 74 K 8.76 4.89 0.00 1.76 1.93 0.00 1.61 0.00 0.00 1.86 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.37 7.81 75 Y 8.52 5.42 0.00 3.12 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 76 K 9.09 4.61 0.00 1.79 2.02 0.00 1.27 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.43 7.81 77 R 8.51 5.15 0.00 1.71 1.91 0.00 3.20 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 78 V 8.44 4.27 2.10 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 0.98 0.00 0.00 0.95 0.00 0.00 79 N 9.96 4.26 0.00 2.85 2.84 0.00 0.00 7.28 7.98 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 80 G 8.61 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 81 A 7.67 4.77 1.26 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 0.00 0.00 0.00 0.00 0.00 82 I 8.25 4.40 1.84 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 1.27 0.61 0.78 0.00 0.00 83 V 9.05 4.34 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 1.01 0.00 0.00 0.97 0.00 0.00 84 C 8.89 4.91 0.00 2.98 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 85 E 8.56 4.31 0.00 2.01 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 2.38 2.33 0.00 86 K 8.67 3.81 0.00 1.83 1.71 0.00 1.87 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.51 7.81 *88 G 8.31 4.37 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 0.00 89 T 8.45 4.13 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 1.22 0.00 0.00 90 S 8.54 4.07 0.00 3.86 3.94 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 0.00 0.00 0.00 91 C 8.14 4.21 0.00 2.94 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 92 E 8.23 3.94 0.00 2.26 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 0.00 2.67 2.41 0.00 93 N 8.32 4.21 0.00 2.77 2.80 0.00 0.00 7.09 8.44 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 94 R 7.99 3.84 0.00 1.78 1.91 0.00 3.08 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 95 I 7.86 3.63 1.80 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 1.12 0.51 0.92 0.00 0.00 96 C 7.62 3.28 0.00 1.80 2.84 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 97 E 8.06 3.80 0.00 2.04 1.88 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 2.41 2.41 0.00 98 C 8.01 4.15 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 99 D 8.00 3.56 0.00 2.74 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 0.00 100 K 8.25 3.72 0.00 1.68 1.86 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.36 7.81 101 A 7.91 3.86 1.26 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 0.00 0.00 0.00 0.00 0.00 102 A 7.73 3.44 0.96 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 0.00 103 A 7.91 3.58 1.29 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 0.00 0.00 104 I 7.61 3.65 1.85 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 1.36 0.69 0.87 0.00 0.00 105 C 7.92 4.17 0.00 2.97 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 0.00 106 F 8.14 4.57 0.00 2.92 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 0.00 107 R 8.03 3.91 0.00 1.96 2.11 0.00 3.34 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 108 Q 8.30 4.17 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 109 N 7.62 5.15 0.00 2.88 2.86 0.00 0.00 6.84 7.99 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 0.00 110 L 8.02 4.15 0.00 1.84 1.74 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.34 4.45 0.00 2.86 3.00 0.00 0.00 5.81 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 0.00 112 T 7.70 4.53 4.32 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 1.26 0.00 0.00 113 Y 8.01 4.01 0.00 3.00 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 0.00 114 S 8.92 4.73 0.00 3.88 3.77 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 0.00 115 K 8.76 3.97 0.00 1.88 1.88 0.00 1.60 0.00 0.00 1.88 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.62 7.81 116 K 7.29 3.86 0.00 1.63 1.67 0.00 1.28 0.00 0.00 1.35 0.00 0.00 2.23 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.30 0.60 7.81 117 Y 7.43 4.21 0.00 1.73 1.68 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 0.00 118 M 7.48 4.39 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 119 L 8.00 3.60 0.00 1.78 1.70 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.82 4.27 0.00 3.07 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 0.00 121 P 0.00 4.00 0.00 0.90 1.28 0.00 2.61 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 122 D 8.59 4.10 0.00 2.59 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 *124 F 7.83 4.82 0.00 3.11 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 0.00 125 L 6.90 4.37 0.00 1.17 1.69 0.13 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.04 4.92 0.00 2.98 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 0.00 127 K 8.27 4.70 0.00 1.80 1.68 0.00 1.67 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.54 7.81 128 G 8.73 4.30 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 0.00 129 E 8.56 4.91 0.00 2.00 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 2.27 2.31 0.00 130 L 8.39 4.58 0.00 1.62 1.77 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.31 4.27 0.00 1.79 1.73 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.15 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.51 7.81 132 C 8.47 4.43 0.00 2.98 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 * Residues marked with a * may have inaccurate shift predictions.