NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4532 8.3044 118.8205 54.9520 32.9890 178.0753 2 D 4.6917 8.0296 111.5483 54.3420 39.1884 174.5804 3 F 5.0179 8.8227 120.4559 57.3672 41.1227 175.6778 4 R 4.9301 9.3873 120.2421 54.6341 34.7570 174.1218 5 I 4.9223 8.4715 115.1743 59.3172 40.7007 174.5049 6 G 4.4299 9.1510 110.6565 44.6602 0.0000 171.2939 7 Q 5.1647 8.5497 117.5066 54.4091 32.6130 173.9821 8 G 4.4039 9.2224 106.9784 45.0197 0.0000 170.8029 9 Y 5.3934 8.5330 122.0198 55.9205 42.0595 173.6089 10 D 4.6000 8.2798 123.9986 53.2168 45.4367 174.0303 11 V 4.7844 7.6702 120.8024 60.8380 34.3966 173.2190 12 H 5.0067 8.9014 119.0627 53.8851 33.4614 173.0142 13 Q 4.5653 8.7346 119.7947 56.0468 30.1743 175.0951 14 L 5.0253 8.8340 127.7400 54.2920 43.4685 176.4651 15 V 4.7100 8.5416 124.8710 58.6546 36.5204 170.0509 16 P 4.6393 0.0000 0.0000 64.5858 31.5321 176.8052 17 G 4.0785 9.0674 109.3961 45.5007 0.0000 173.8967 18 R 4.7261 7.7576 118.3066 53.2576 33.8073 172.8625 19 P 4.6778 0.0000 0.0000 62.7178 32.7481 175.7234 20 L 4.4148 8.4877 123.9755 54.3511 42.7632 175.1222 21 I 5.0311 8.2461 127.5810 59.5654 40.4863 175.0775 22 I 4.8073 8.2526 127.7066 60.5000 40.1727 175.8911 23 G 3.9100 9.9519 114.0201 46.6805 0.0000 175.0207 24 G 3.8692 9.1555 106.6548 45.0730 0.0000 174.2247 25 V 4.1391 7.4115 120.6633 61.1380 32.6389 174.5786 26 T 4.5399 8.4593 124.5572 63.5040 68.8537 173.9126 27 I 4.4987 8.4316 128.6833 58.3531 39.3661 174.0891 28 P 4.4458 0.0000 0.0000 63.2394 31.8457 175.1674 29 Y 4.7329 8.1580 121.4410 56.9084 41.2803 174.3264 30 E 3.9256 7.9593 124.3956 58.2764 29.8145 176.6857 31 R 4.8729 6.9941 115.9527 54.4463 34.5926 174.2212 32 G 4.8697 9.0054 106.7933 44.2861 0.0000 171.5657 33 L 5.0229 8.5779 122.2817 54.6884 42.7071 177.2499 34 L 4.5543 8.2683 125.8540 53.4703 42.3395 174.7528 35 G 3.9501 8.1668 113.3942 45.8066 0.0000 172.8812 *36 H 4.3141 9.3531 117.7360 57.5649 28.6459 172.1472 37 S 4.5455 8.0329 112.4217 57.9221 64.5133 175.7686 38 D 4.4536 8.9022 123.0388 53.7512 40.8313 177.1386 39 A 3.4366 7.8089 121.0230 53.2594 15.9564 178.2392 40 D 4.7435 7.8583 122.4480 53.6312 40.7393 175.5200 41 V 4.0961 7.9211 128.6040 63.7639 31.4347 178.0415 42 L 3.8804 7.8050 120.3504 58.0404 42.0575 178.6850 43 L 4.0019 7.9242 118.4854 58.0182 41.4436 179.1890 44 H 4.2650 8.1960 115.9126 58.9420 28.7095 177.5544 45 A 4.0259 7.8990 122.1107 55.3400 18.2291 179.7487 46 I 3.6515 7.8203 118.1633 64.7496 37.1307 178.6364 47 T 3.7334 8.1641 116.8127 66.8607 68.2760 176.2243 48 D 4.5118 8.4249 120.4563 57.4630 40.8111 178.7462 49 A 4.2389 8.0828 122.5107 54.5537 18.4399 179.7795 50 L 3.8201 7.9459 117.3795 58.0151 41.6445 179.6638 51 F 4.5379 8.1372 117.9497 60.5513 38.7906 178.0674 52 G 3.5605 8.5039 105.3118 47.7804 0.0000 175.6208 53 A 4.1949 8.2249 123.5298 53.9451 18.4633 178.7870 54 A 3.1257 7.6441 115.9588 51.1509 19.4866 176.8051 55 A 3.7059 7.5697 119.2959 53.5636 16.5632 177.6621 56 L 4.7061 8.3860 115.9585 55.2594 43.4348 178.5686 57 G 3.9712 8.6874 110.0877 45.6626 0.0000 175.0865 58 D 4.8769 8.0082 125.1553 50.2403 42.6989 175.6582 59 I 3.8345 9.2129 119.0807 64.4491 37.4866 177.9618 60 G 3.8026 8.0645 104.9918 47.5641 0.0000 175.5201 61 R 3.9719 7.7896 119.4339 58.9283 30.0590 178.3123 62 H 4.2505 7.2473 115.3526 56.6060 29.6025 175.6786 63 F 4.9932 7.8171 123.8888 55.7807 38.8462 175.8729 64 S 4.0662 8.5597 121.8974 60.2908 62.5159 173.6470 *73 A 4.0696 7.7666 120.6474 52.3021 19.4738 176.5837 74 D 4.7794 8.2015 122.8410 52.3917 42.5092 177.8250 75 S 4.2110 10.5717 116.0950 61.3656 62.5267 177.4145 76 R 3.8814 8.0458 120.6988 58.9858 29.8338 178.5116 77 A 3.9147 7.9596 120.3686 55.0800 18.2831 179.5273 78 L 3.2390 7.5987 117.3083 57.6639 41.6396 179.5873 79 L 3.9030 7.9098 120.1055 58.2598 42.1391 179.1904 80 R 3.9096 8.1664 118.2388 59.2501 29.9690 178.7251 81 E 3.9962 8.4635 119.3570 59.2063 29.6365 178.0618 82 C 3.9644 8.5809 118.9976 62.7977 31.5125 175.5872 83 A 3.9434 8.0500 121.9652 55.2316 17.8972 179.5642 84 S 4.0957 8.1112 111.5219 61.5613 62.4519 176.6581 85 R 4.0523 8.1924 120.9802 59.1226 29.8275 179.1686 86 V 3.6941 8.1076 117.9603 65.9315 31.5645 177.7746 87 A 4.4076 8.0741 121.8467 54.9722 18.0287 179.7104 88 Q 4.0556 8.0795 114.6706 58.5174 28.9129 177.9761 89 A 4.3133 7.9157 120.2009 52.7856 18.7135 177.9924 90 G 3.8105 8.0359 106.5837 44.6795 0.0000 172.8125 91 F 5.4049 8.3621 118.1611 55.4278 41.8261 174.3924 92 A 4.8433 9.0579 124.6355 50.1766 21.3748 176.0193 93 I 4.1105 8.4248 123.3656 61.6613 37.4921 175.8060 94 R 4.5923 8.9894 126.5142 57.7707 31.5481 176.1813 95 N 4.9622 7.6163 113.2244 52.1630 40.6578 173.3708 96 V 4.9933 8.7034 119.2541 61.3176 35.1204 173.7258 97 D 5.4700 9.1760 125.8699 51.8036 45.1690 173.9745 98 S 5.0954 8.1238 114.8237 58.0226 66.4333 173.4314 99 T 4.9456 8.9016 117.0387 62.0183 72.6286 172.9612 100 I 4.7023 8.9628 127.2620 59.8687 39.7048 174.6960 101 I 4.9355 8.8783 128.6025 59.7602 38.7980 174.7149 102 A 4.7955 8.8329 129.2771 50.2230 21.8860 176.8263 103 Q 3.9410 9.0097 123.7907 58.8348 29.5793 175.8308 104 A 4.4430 7.2534 117.3319 50.2739 21.8675 173.9113 105 P 4.4218 0.0000 0.0000 61.7319 33.3181 176.2552 106 K 4.1237 8.3807 119.9737 54.9083 31.9768 172.7332 107 L 4.5546 8.4179 122.8410 54.6061 43.5694 178.4080 108 A 3.9541 8.2275 120.7207 55.0875 17.8546 177.6733 109 P 4.1850 0.0000 0.0000 65.2456 31.7542 177.4230 110 H 4.7792 8.0200 113.1339 55.6695 29.0197 176.8656 111 I 3.7165 7.5256 123.1536 64.6274 36.8914 177.9398 112 D 4.3261 8.1081 118.9453 57.1458 40.6459 178.5645 113 A 3.9818 7.9411 120.9098 55.3553 18.4220 179.4161 114 M 4.2504 7.8371 118.1981 58.0920 31.9842 179.0873 115 R 3.8825 8.2686 118.2208 59.3454 30.2794 178.9557 116 A 3.9778 8.2907 120.6721 55.1716 18.3523 179.4594 117 N 4.2607 8.2862 114.9163 56.5228 38.5959 177.7664 118 I 3.6720 7.9548 120.9984 64.3368 37.2380 178.3289 119 A 3.9542 8.2585 121.5937 55.0524 18.0539 179.5225 120 A 3.9332 8.0203 119.1887 55.5953 18.2963 179.7184 121 D 4.3192 8.0748 115.9947 56.7656 40.9534 177.9939 122 L 4.3482 7.9742 116.8604 53.3060 42.7545 175.6446 123 D 4.3605 7.6403 117.9985 55.5929 40.1290 172.9611 124 L 4.8543 7.6762 116.2608 51.8459 45.0501 175.5744 125 P 4.3678 0.0000 0.0000 62.4636 32.2489 177.3723 126 L 3.9320 8.6449 123.4866 58.2964 42.0855 178.1254 127 D 4.7172 8.0639 114.7139 54.0335 39.4611 176.2998 128 R 4.6405 8.2911 117.8533 56.0379 31.8143 175.0558 129 V 4.7950 7.7704 118.9495 61.1033 33.5956 174.3979 130 N 5.1293 9.1779 125.5336 51.8402 42.7853 172.9709 131 V 4.9877 8.2730 123.3845 59.9838 34.5684 174.5148 132 K 4.8569 9.0803 126.0516 54.4984 35.8978 174.8087 133 A 5.2419 8.4635 122.7073 50.2803 22.0056 175.7120 134 K 4.7447 9.1744 119.9487 54.8696 36.8753 176.4666 135 T 4.8197 8.4166 113.5149 59.9448 71.0094 173.6176 136 N 4.7514 8.6611 116.5668 52.8464 39.0489 174.1396 137 E 3.8167 8.7696 113.3880 56.9895 27.6518 175.7009 138 K 4.2153 8.2458 112.8307 56.7036 30.7931 175.9382 139 L 4.3260 7.8818 120.1935 54.3146 43.0214 178.2401 140 G 4.0145 8.5277 112.1929 44.8782 0.0000 173.3904 141 Y 4.4470 7.9929 117.2469 59.5650 37.6053 178.3997 142 L 4.0787 7.0505 120.3257 57.6527 41.7146 179.5673 143 G 3.6933 8.1690 105.0209 46.8443 0.0000 174.8689 144 R 4.5516 7.7959 118.2906 55.3354 30.4368 176.5418 145 G 3.9406 7.8150 106.8092 46.8180 0.0000 174.6755 146 E 4.3700 8.6090 119.6698 56.5784 30.1273 175.8696 147 G 4.1862 7.3509 103.8752 45.7985 0.0000 172.7645 148 I 4.9715 8.4385 120.1182 59.3233 41.2051 174.5759 149 E 5.0732 8.8629 126.1110 54.3822 32.7454 174.3526 150 A 5.2875 8.6868 125.7540 50.2443 22.7312 175.0219 151 Q 5.3071 9.1879 119.1872 54.1959 32.6791 174.6503 152 A 5.2298 9.0760 122.5657 50.3822 23.3651 174.8712 153 A 5.1883 9.2234 121.2042 50.1119 22.7532 175.1755 154 A 5.0993 9.1016 122.4800 50.0191 23.0705 174.6008 155 L 5.1656 8.7517 123.1939 53.4292 44.8708 175.7617 156 V 5.2242 8.9207 118.3546 59.5927 36.7180 174.6766 157 V 4.7969 8.8873 123.0339 60.5699 34.6539 175.5869 158 R 4.2551 9.1723 128.4054 57.2302 29.7598 174.8933 159 E 4.1664 9.1505 120.7892 55.0359 30.7976 171.8932 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 M 8.30 4.45 0.00 2.05 1.66 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 D 8.03 4.69 0.00 2.84 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.82 5.02 0.00 3.03 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 4 R 9.39 4.93 0.00 1.59 1.73 0.00 3.31 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 5 I 8.47 4.92 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 1.29 1.22 0.93 0.00 0.00 6 G 9.15 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 7 Q 8.55 5.16 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 8 G 9.22 4.40 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 0.00 9 Y 8.53 5.39 0.00 2.92 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 10 D 8.28 4.60 0.00 2.76 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.67 4.78 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 0.75 0.00 0.00 1.05 0.00 0.00 12 H 8.90 5.01 0.00 3.07 3.28 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.73 4.57 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 14 L 8.83 5.03 0.00 1.65 1.55 1.05 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.54 4.71 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 0.71 0.00 0.00 0.93 0.00 0.00 16 P 0.00 4.64 0.00 1.91 1.98 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 17 G 9.07 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.76 4.73 0.00 1.81 1.78 0.00 3.29 0.00 0.00 3.39 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.52 0.00 19 P 0.00 4.68 0.00 2.07 2.05 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 20 L 8.49 4.41 0.00 2.09 1.86 0.92 0.81 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 21 I 8.25 5.03 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.07 0.90 0.00 0.00 22 I 8.25 4.81 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.87 0.87 0.00 0.00 23 G 9.95 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 0.00 0.00 0.00 24 G 9.16 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.41 4.14 2.16 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 0.93 0.00 0.00 0.98 0.00 0.00 26 T 8.46 4.54 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 27 I 8.43 4.50 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.57 0.82 0.00 0.00 28 P 0.00 4.45 0.00 2.13 2.10 0.00 3.78 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 2.04 2.00 0.00 29 Y 8.16 4.73 0.00 2.92 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 30 E 7.96 3.93 0.00 1.60 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 2.16 2.23 0.00 31 R 6.99 4.87 0.00 1.80 1.87 0.00 3.14 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.35 0.00 32 G 9.01 4.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.58 5.02 0.00 1.50 1.57 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.27 4.55 0.00 1.44 1.45 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.17 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 *36 H 9.35 4.31 0.00 2.94 3.00 0.00 7.15 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.03 4.55 0.00 3.58 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.90 4.45 0.00 2.74 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 39 A 7.81 3.44 1.22 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 40 D 7.86 4.74 0.00 2.69 2.44 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 41 V 7.92 4.10 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 1.03 0.00 0.00 1.03 0.00 0.00 42 L 7.81 3.88 0.00 1.74 1.80 0.90 0.65 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 43 L 7.92 4.00 0.00 1.72 1.70 0.89 0.89 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 44 H 8.20 4.27 0.00 3.51 3.39 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 45 A 7.90 4.03 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 46 I 7.82 3.65 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.00 0.88 0.00 0.00 47 T 8.16 3.73 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 48 D 8.42 4.51 0.00 2.96 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 49 A 8.08 4.24 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 50 L 7.95 3.82 0.00 1.59 1.51 0.82 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.14 4.54 0.00 3.06 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 52 G 8.50 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.22 4.19 1.21 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 54 A 7.64 3.13 1.21 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 55 A 7.57 3.71 1.35 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 56 L 8.39 4.71 0.00 1.77 1.70 1.13 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.69 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 58 D 8.01 4.88 0.00 3.06 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 59 I 9.21 3.83 2.13 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 1.02 0.00 0.00 60 G 8.06 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 0.00 0.00 0.00 61 R 7.79 3.97 0.00 1.75 1.76 0.00 3.09 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 62 H 7.25 4.25 0.00 1.70 2.18 0.00 5.60 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 63 F 7.82 4.99 0.00 3.03 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 64 S 8.56 4.07 0.00 3.63 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *73 A 7.77 4.07 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 74 D 8.20 4.78 0.00 3.16 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 10.57 4.21 0.00 3.92 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 76 R 8.05 3.88 0.00 1.97 2.02 0.00 3.11 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 77 A 7.96 3.91 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 78 L 7.60 3.24 0.00 1.76 1.33 0.84 -0.23 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 79 L 7.91 3.90 0.00 1.85 1.80 0.87 0.88 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 80 R 8.17 3.91 0.00 2.00 1.96 0.00 3.17 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.79 0.00 81 E 8.46 4.00 0.00 2.08 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 0.00 2.59 2.78 0.00 82 C 8.58 3.96 0.00 2.93 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 83 A 8.05 3.94 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 84 S 8.11 4.10 0.00 3.98 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 0.00 85 R 8.19 4.05 0.00 2.31 2.16 0.00 3.50 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 86 V 8.11 3.69 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 1.07 0.00 0.00 0.92 0.00 0.00 87 A 8.07 4.41 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 88 Q 8.08 4.06 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 89 A 7.92 4.31 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.04 3.81 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 0.00 0.00 0.00 91 F 8.36 5.40 0.00 3.13 2.92 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 92 A 9.06 4.84 1.22 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 93 I 8.42 4.11 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.60 0.92 0.00 0.00 94 R 8.99 4.59 0.00 1.94 2.08 0.00 3.49 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.05 0.00 95 N 7.62 4.96 0.00 2.86 2.88 0.00 0.00 5.58 7.68 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 96 V 8.70 4.99 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 0.92 0.00 0.00 0.92 0.00 0.00 97 D 9.18 5.47 0.00 2.79 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 98 S 8.12 5.10 0.00 3.97 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.90 4.95 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 100 I 8.96 4.70 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.65 0.92 0.00 0.00 101 I 8.88 4.94 1.87 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 1.16 1.22 0.92 0.00 0.00 102 A 8.83 4.80 1.17 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 0.00 0.00 103 Q 9.01 3.94 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 104 A 7.25 4.44 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 0.00 105 P 0.00 4.42 0.00 2.09 1.82 0.00 3.34 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 106 K 8.38 4.12 0.00 1.80 1.65 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.03 7.81 107 L 8.42 4.55 0.00 1.67 1.71 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.23 3.95 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 0.00 109 P 0.00 4.19 0.00 1.59 1.99 0.00 3.65 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 1.93 2.11 0.00 110 H 8.02 4.78 0.00 3.14 3.28 0.00 5.62 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 0.00 111 I 7.53 3.72 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.98 0.94 0.00 0.00 112 D 8.11 4.33 0.00 2.68 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 0.00 113 A 7.94 3.98 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 0.00 114 M 7.84 4.25 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.57 0.00 115 R 8.27 3.88 0.00 2.01 1.98 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 116 A 8.29 3.98 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 0.00 117 N 8.29 4.26 0.00 2.89 2.86 0.00 0.00 7.04 7.07 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 0.00 118 I 7.95 3.67 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.67 0.90 0.00 0.00 119 A 8.26 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 0.00 120 A 8.02 3.93 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 0.00 121 D 8.07 4.32 0.00 2.78 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 0.00 122 L 7.97 4.35 0.00 1.59 1.68 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.64 4.36 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 0.00 124 L 7.68 4.85 0.00 1.65 1.53 0.92 0.91 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 0.00 125 P 0.00 4.37 0.00 2.35 1.98 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 126 L 8.64 3.93 0.00 1.72 1.67 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.06 4.72 0.00 2.83 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 0.00 128 R 8.29 4.64 0.00 1.90 2.07 0.00 3.08 0.00 0.00 3.32 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 129 V 7.77 4.80 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 0.73 0.00 0.00 0.93 0.00 0.00 130 N 9.18 5.13 0.00 2.84 2.76 0.00 0.00 6.17 7.21 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 0.00 131 V 8.27 4.99 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 1.20 0.00 0.00 0.92 0.00 0.00 132 K 9.08 4.86 0.00 1.76 1.64 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.51 7.81 133 A 8.46 5.24 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 0.00 0.00 0.00 0.00 0.00 0.00 134 K 9.17 4.74 0.00 1.57 1.63 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.50 7.81 135 T 8.42 4.82 4.39 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 1.19 0.00 0.00 136 N 8.66 4.75 0.00 2.74 2.82 0.00 0.00 7.01 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 0.00 137 E 8.77 3.82 0.00 2.11 1.97 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 2.24 2.39 0.00 138 K 8.25 4.22 0.00 1.92 1.93 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.50 7.81 139 L 7.88 4.33 0.00 1.77 1.52 0.90 0.87 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 0.00 140 G 8.53 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 0.00 141 Y 7.99 4.45 0.00 3.28 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.05 4.08 0.00 1.51 1.68 0.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.17 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.80 4.55 0.00 1.87 2.01 0.00 3.28 0.00 0.00 3.25 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 145 G 7.82 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 0.00 0.00 0.00 146 E 8.61 4.37 0.00 2.32 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 2.34 2.47 0.00 147 G 7.35 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 0.00 148 I 8.44 4.97 1.88 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 1.10 1.27 0.94 0.00 0.00 149 E 8.86 5.07 0.00 2.11 1.78 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 2.19 2.18 0.00 150 A 8.69 5.29 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 0.00 151 Q 9.19 5.31 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 152 A 9.08 5.23 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 0.00 153 A 9.22 5.19 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 0.00 154 A 9.10 5.10 1.17 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 0.00 0.00 155 L 8.75 5.17 0.00 1.80 1.69 1.06 0.62 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 0.00 156 V 8.92 5.22 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 0.69 0.00 0.00 0.71 0.00 0.00 157 V 8.89 4.80 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 0.67 0.00 0.00 0.15 0.00 0.00 158 R 9.17 4.26 0.00 1.59 1.79 0.00 3.21 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 159 E 9.15 4.17 0.00 1.88 1.66 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 2.14 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.