NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.3092 8.3001 118.7933 54.4417 33.4868 174.4441 2 A 4.2210 8.2816 122.4608 51.0642 20.5351 174.8691 3 N 4.3638 8.1307 112.0762 53.1509 43.3856 175.2239 4 L 4.7016 8.1593 127.0999 53.1996 41.0589 178.9775 5 E 4.9566 8.1107 125.8697 59.9139 34.5701 174.8490 6 R 4.7420 7.9015 121.3479 57.6422 32.7312 174.5697 7 T 4.7729 8.3833 118.8606 60.7285 71.9312 171.7840 8 F 5.2903 8.7995 127.0902 56.7340 41.3401 174.1285 9 I 4.4375 8.1952 127.1886 59.1915 40.1373 174.4657 10 A 4.6558 8.6695 128.3589 49.9887 22.3139 174.8619 11 I 4.4787 8.6793 124.5779 59.6484 38.2714 175.9996 12 K 4.3341 8.5124 126.8858 55.7865 33.0674 176.6321 13 P 4.5287 0.0000 0.0000 65.4437 31.1550 178.6539 14 D 4.5686 8.3028 117.2709 56.3409 39.3856 178.7039 15 G 3.5721 8.2100 107.2432 47.4847 0.0000 175.9410 16 V 3.6465 7.7506 120.3101 65.9765 31.5348 177.9236 17 Q 4.1103 8.3139 116.7672 58.7662 28.5916 178.2113 18 R 4.3885 8.0501 116.4656 54.9231 31.3270 176.5016 19 G 3.8415 7.9283 106.3497 47.3519 0.0000 174.3603 20 L 4.4759 7.8611 113.8838 54.1902 43.3520 179.7367 21 V 3.6166 7.8981 120.2655 66.1250 31.4268 178.1248 22 G 3.6474 8.0010 104.9020 47.8900 0.0000 175.1545 23 E 3.9614 8.0103 120.6005 59.1765 29.1666 179.4777 24 I 3.7971 7.6399 119.6754 64.3771 37.1814 178.5607 25 I 3.8871 7.9710 120.6771 64.3195 36.9244 178.0500 26 K 4.0181 8.3482 120.7984 60.0174 32.0686 178.6715 27 R 4.1040 7.8630 119.1700 58.8380 29.7178 179.1437 28 F 3.7994 7.8696 117.0639 60.0164 38.6738 177.6750 29 E 4.2421 8.2752 118.6433 59.5832 29.2784 179.4316 30 Q 4.0571 8.3468 117.4689 58.7254 28.2378 178.2441 31 K 3.8925 7.2246 119.9627 57.5477 32.2313 177.2633 32 G 4.0037 7.6410 105.5675 44.8663 0.0000 173.4930 33 F 5.3728 7.5316 118.4363 56.9944 40.2464 175.1712 34 R 4.8745 9.1046 118.7927 54.1767 31.8652 174.8890 35 L 2.9338 8.3562 125.2161 55.0097 41.8065 176.3164 36 V 3.8907 8.4465 128.3504 65.3615 32.7391 175.5846 37 A 4.7419 7.0949 119.2261 51.2282 22.5822 174.9108 38 M 5.2709 8.2314 117.4982 54.6282 35.3422 173.9809 39 K 4.8988 9.6980 124.7154 55.4537 36.8886 174.4692 40 F 5.5694 8.7014 124.1896 56.6764 41.1727 174.3568 41 L 4.2119 8.2418 124.3483 55.1904 44.1893 174.4082 42 R 4.4602 8.3648 120.8222 54.1931 29.3765 175.4614 43 A 3.9865 8.5132 128.7442 51.9153 18.9624 178.0585 44 S 4.4385 8.4188 118.5374 58.2983 65.1174 175.0857 45 E 3.9762 8.7819 123.0882 59.6792 29.0680 179.3988 46 E 3.9023 8.0668 118.6584 59.6193 29.8543 178.1816 47 H 3.9963 8.0813 118.2071 59.2520 29.7686 177.2078 48 L 4.0250 8.3075 121.2021 57.7211 41.2191 179.6182 49 K 4.4176 8.3064 118.0263 59.6474 32.1502 179.1256 50 Q 4.1362 7.9261 118.5075 59.2451 28.4150 178.2292 51 H 4.0395 7.9599 118.1305 58.4224 30.0003 175.8819 52 Y 5.0283 8.1656 117.9893 57.6394 39.1108 177.8713 53 I 3.6208 7.5298 124.0731 64.8799 37.3231 177.9884 54 D 4.5900 8.1255 116.6497 55.9067 41.0048 176.5246 55 L 4.7738 8.2409 119.2068 54.0310 42.8688 178.2855 56 K 2.4800 7.7449 119.0195 58.0938 32.4303 177.2767 57 D 4.8199 7.5956 119.0026 53.9587 41.7410 175.4842 58 R 4.4329 7.1955 117.6522 53.6006 32.4374 175.2933 59 P 4.1339 0.0000 0.0000 65.8226 31.5474 178.4094 60 F 4.4196 7.7305 112.9381 59.4408 37.7329 177.0357 61 F 4.0209 7.6734 121.9836 60.9156 39.3631 175.3277 62 P 4.2150 0.0000 0.0000 65.6989 31.0974 178.8689 63 G 3.5944 8.0252 103.6670 47.7131 0.0000 175.0462 64 L 3.7473 8.1746 123.5921 57.9752 41.5206 179.4623 65 V 3.5083 7.5598 117.7965 65.8729 31.2734 177.8690 66 K 3.9698 7.6155 117.6829 60.0256 32.1793 177.4371 67 Y 4.0002 8.8788 120.3123 60.9619 38.5349 177.6450 68 M 4.3510 8.6216 120.6104 57.2938 32.3450 177.1324 69 N 4.9287 7.8501 115.5389 53.7034 39.5944 176.3387 70 S 4.1909 8.2664 114.7116 61.4024 63.2220 174.0282 71 G 4.1518 7.2270 108.2792 43.3281 0.0000 170.6298 72 P 4.4605 0.0000 0.0000 62.7966 32.7630 175.5662 73 V 4.5575 8.7068 113.8094 59.6349 36.5112 174.7619 74 V 4.7919 8.4555 120.8707 61.4267 33.5144 173.9093 75 A 4.7421 8.9084 130.9129 51.2271 20.5895 175.7974 76 M 5.2712 8.7618 120.6906 53.9479 37.6038 174.0434 77 V 4.7959 8.2452 119.8248 60.9396 34.9200 174.1750 78 W 5.0233 8.9544 127.1858 54.8622 32.2643 174.2005 79 E 4.8068 9.8422 126.1623 53.9947 31.5158 175.0799 80 G 4.8935 8.2911 114.5433 45.6401 0.0000 171.3248 81 L 4.1719 8.6026 122.8585 56.0000 42.2479 175.9302 82 N 4.5321 8.9071 123.6658 54.4766 37.6211 175.8182 83 V 3.0382 7.5753 118.0759 65.6024 31.3871 177.5092 84 V 3.5199 8.3103 117.8062 65.9699 31.4895 177.8338 85 K 3.9414 7.9636 118.7833 59.8657 32.1902 178.7542 86 T 4.0673 8.1734 110.2385 64.6414 68.7101 176.4874 87 G 3.7440 8.4984 108.9944 47.8633 0.0000 175.8458 88 R 3.9852 7.9153 120.0885 58.8913 29.8371 179.2850 89 V 3.5777 7.4080 116.7083 66.3609 31.7965 177.7787 90 M 4.1238 8.4429 118.7505 58.1456 31.6800 178.7470 91 L 4.0974 7.8873 119.6400 55.3451 41.7894 177.8060 92 G 4.1207 8.0634 103.8317 44.1737 0.0000 172.5432 93 E 4.1731 8.3491 117.0880 56.5123 29.8962 178.8676 94 T 3.8547 8.4235 117.5862 65.9228 68.8666 174.1344 95 N 4.6510 7.5141 117.4273 51.2346 38.5744 173.2322 96 P 4.0828 0.0000 0.0000 64.7230 31.6812 178.7746 97 A 4.0325 8.3319 120.2749 54.5317 18.2750 177.7509 98 D 4.7666 8.4205 113.5741 54.2977 41.7180 176.8406 99 S 4.3117 7.7006 117.3088 58.3921 63.9855 173.9857 100 K 4.2521 8.6302 124.1774 55.1089 33.5025 174.6698 101 P 4.2764 0.0000 0.0000 64.4604 31.2387 176.2412 102 G 3.9857 9.4332 112.4201 45.7150 0.0000 174.6872 103 T 4.4883 7.5230 110.0545 60.2009 71.8334 175.3798 104 I 3.8913 8.1916 123.3503 65.2883 37.2789 178.9751 105 R 4.1140 8.3351 118.4458 59.3281 29.7373 179.5056 106 G 3.6058 7.9360 104.4464 47.3537 0.0000 174.6448 107 D 4.3447 7.9081 119.6778 54.7151 41.4556 177.1951 108 F 5.0283 7.8920 115.4671 57.1687 40.7613 174.5214 109 C 5.0199 8.1463 114.0472 56.6903 32.8734 173.1845 110 I 4.2647 8.4723 117.9310 62.6575 38.8193 176.0625 111 Q 4.5574 7.6245 120.4927 54.1485 30.4997 176.3992 112 V 3.5744 8.3822 123.3033 65.7939 32.0268 177.5651 113 G 3.7909 8.2914 107.9910 48.1565 0.0000 174.0988 114 R 4.6549 7.4436 120.0667 54.0929 29.4088 175.3157 115 N 4.8474 8.0090 118.4355 52.7225 38.6452 176.7066 116 I 2.8901 8.3606 110.3197 63.7447 38.6152 172.7572 117 I 5.0176 8.1960 119.6119 60.2419 41.6441 173.1299 118 H 4.9906 9.5609 125.0675 54.3660 33.2315 172.2449 119 G 4.3491 8.3344 111.0254 43.9846 0.0000 172.4125 120 S 4.6206 8.3956 119.6582 58.7290 63.5349 175.3624 121 D 4.5677 8.9747 122.6889 55.1363 40.2027 176.4371 122 S 4.5925 7.4528 113.4871 56.4948 66.6012 176.0720 123 V 3.7417 8.2162 115.7096 64.4291 31.0864 178.8027 124 K 3.9792 7.9679 118.9358 59.6799 32.1419 179.0117 125 S 4.1563 8.0467 114.9741 61.2670 62.7321 176.1311 126 A 4.3434 8.3860 125.2868 54.8904 18.1418 179.4301 127 E 4.0308 8.3991 116.3704 59.4297 29.4588 179.8587 128 K 3.9068 7.8545 118.3974 59.6471 32.1344 179.1006 129 E 3.9255 8.5684 119.0198 59.5392 29.3932 179.5211 130 I 4.0056 8.3463 120.0508 64.7279 36.9795 178.7339 131 S 4.2117 7.9109 114.7541 61.5532 62.7589 176.2338 132 L 3.9964 8.1295 122.3033 57.3435 41.8547 178.1975 133 W 4.2902 8.3949 117.7268 56.2045 30.0196 176.3453 134 F 5.2241 8.0718 116.0172 55.4101 41.9400 174.5792 135 K 4.5772 9.3456 123.1479 54.2569 33.5179 176.1765 136 P 4.2934 0.0000 0.0000 66.2234 30.8955 177.4046 137 E 4.2564 8.1424 116.0833 57.0878 29.6585 176.4932 138 E 4.2663 8.4796 117.0349 58.1245 30.1864 176.1905 139 L 4.2028 7.4660 118.6141 53.6663 41.4817 176.8945 140 V 3.8786 8.5917 125.3722 62.6685 32.4636 175.1597 141 D 5.0084 8.7865 127.3190 52.9739 42.5549 174.7016 142 Y 4.8106 7.9132 120.8045 55.4468 41.1864 173.6885 143 K 4.3986 8.5376 119.9624 54.0845 34.7009 175.8285 144 S 4.4362 8.6755 121.5615 58.3541 63.3908 175.0857 145 C 4.1281 9.0155 119.1920 60.5672 29.6937 174.1424 146 A 4.8974 7.9874 122.0446 52.3116 19.2684 177.5390 147 H 4.1918 8.5241 120.7561 60.7206 29.5955 176.8456 148 D 4.4645 8.0441 117.5338 55.6127 40.9190 177.3836 149 W 4.6655 7.8654 118.2897 57.3580 29.6940 177.5439 150 V 3.8452 7.4496 116.9656 63.6758 31.6631 174.8039 151 Y 4.3556 7.5609 119.9733 58.0036 38.3589 175.1316 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 4.31 0.00 1.77 1.91 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 2 A 8.28 4.22 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 3 N 8.13 4.36 0.00 2.60 2.63 0.00 0.00 7.00 7.78 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 4 L 8.16 4.70 0.00 1.61 0.95 0.75 0.40 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 5 E 8.11 4.96 0.00 2.28 1.84 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 2.16 2.06 0.00 6 R 7.90 4.74 0.00 1.79 1.78 0.00 3.15 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.38 0.00 7 T 8.38 4.77 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 1.24 0.00 0.00 8 F 8.80 5.29 0.00 3.27 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 9 I 8.20 4.44 1.67 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 1.02 0.27 0.50 0.00 0.00 10 A 8.67 4.66 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.68 4.48 1.90 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 1.21 0.84 0.99 0.00 0.00 12 K 8.51 4.33 0.00 1.97 1.82 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.46 7.81 13 P 0.00 4.53 0.00 2.25 2.19 0.00 4.02 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 14 D 8.30 4.57 0.00 2.94 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.21 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 16 V 7.75 3.65 2.34 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 1.30 0.00 0.00 1.21 0.00 0.00 17 Q 8.31 4.11 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.89 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 18 R 8.05 4.39 0.00 1.87 1.96 0.00 3.34 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 19 G 7.93 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.86 4.48 0.00 1.65 1.27 0.85 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.90 3.62 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 1.06 0.00 0.00 0.95 0.00 0.00 22 G 8.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.01 3.96 0.00 1.71 1.75 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 2.31 2.18 0.00 24 I 7.64 3.80 1.90 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 1.57 0.84 1.03 0.00 0.00 25 I 7.97 3.89 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.90 1.24 0.00 0.00 26 K 8.35 4.02 0.00 1.98 2.06 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.53 7.81 27 R 7.86 4.10 0.00 1.97 1.78 0.00 3.26 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00 28 F 7.87 3.80 0.00 2.10 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 29 E 8.28 4.24 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.84 0.00 30 Q 8.35 4.06 0.00 2.20 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.82 0.00 0.00 0.00 0.00 0.00 2.47 2.26 0.00 31 K 7.22 3.89 0.00 1.59 1.62 0.00 1.34 0.00 0.00 1.44 0.00 0.00 2.97 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.65 0.33 7.81 32 G 7.64 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.53 5.37 0.00 3.28 3.35 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 34 R 9.10 4.87 0.00 1.78 2.13 0.00 2.64 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 35 L 8.36 2.93 0.00 1.16 1.40 0.76 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.45 3.89 1.84 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 0.88 0.00 0.00 0.86 0.00 0.00 37 A 7.09 4.74 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.23 5.27 0.00 1.96 1.79 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 39 K 9.70 4.90 0.00 1.93 2.06 0.00 1.25 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.52 1.50 7.81 40 F 8.70 5.57 0.00 2.96 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 41 L 8.24 4.21 0.00 1.69 1.70 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.36 4.46 0.00 1.69 1.86 0.00 3.21 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 43 A 8.51 3.99 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 44 S 8.42 4.44 0.00 4.02 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 45 E 8.78 3.98 0.00 2.02 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 0.00 2.40 2.38 0.00 46 E 8.07 3.90 0.00 2.02 1.91 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 2.35 2.36 0.00 47 H 8.08 4.00 0.00 3.02 3.18 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.31 4.03 0.00 1.92 1.91 1.18 1.26 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 49 K 8.31 4.42 0.00 1.99 2.18 0.00 1.79 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.70 1.82 7.81 50 Q 7.93 4.14 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 51 H 7.96 4.04 0.00 3.01 3.25 0.00 5.72 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.17 5.03 0.00 3.53 3.26 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 53 I 7.53 3.62 1.87 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 1.29 1.14 0.87 0.00 0.00 54 D 8.13 4.59 0.00 2.71 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 55 L 8.24 4.77 0.00 2.04 1.73 1.33 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.74 2.48 0.00 1.00 1.15 0.00 1.37 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.14 7.81 57 D 7.60 4.82 0.00 2.53 2.57 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 58 R 7.20 4.43 0.00 1.60 0.70 0.00 3.07 0.00 0.00 3.05 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.41 0.00 59 P 0.00 4.13 0.00 2.01 2.12 0.00 3.39 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 2.00 2.06 0.00 60 F 7.73 4.42 0.00 3.22 3.35 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 61 F 7.67 4.02 0.00 3.29 3.12 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 62 P 0.00 4.22 0.00 2.22 2.13 0.00 3.90 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.31 0.00 63 G 8.03 3.59 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 0.00 0.00 0.00 64 L 8.17 3.75 0.00 1.66 1.75 0.39 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.56 3.51 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 0.89 0.00 0.00 0.10 0.00 0.00 66 K 7.62 3.97 0.00 1.79 2.01 0.00 1.72 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.47 7.81 67 Y 8.88 4.00 0.00 3.29 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 68 M 8.62 4.35 0.00 2.25 2.32 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.89 0.00 69 N 7.85 4.93 0.00 2.89 3.00 0.00 0.00 6.81 7.51 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 70 S 8.27 4.19 0.00 3.93 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 71 G 7.23 4.15 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 0.00 0.00 0.00 72 P 0.00 4.46 0.00 0.87 1.70 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 2.11 2.04 0.00 73 V 8.71 4.56 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 0.79 0.00 0.00 1.09 0.00 0.00 74 V 8.46 4.79 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 1.07 0.00 0.00 1.23 0.00 0.00 75 A 8.91 4.74 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 76 M 8.76 5.27 0.00 1.66 1.87 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 77 V 8.25 4.80 1.69 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 0.97 0.00 0.00 0.45 0.00 0.00 78 W 8.95 5.02 0.00 3.12 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 79 E 9.84 4.81 0.00 2.00 1.80 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 2.28 2.43 0.00 80 G 8.29 4.89 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 0.00 0.00 0.00 81 L 8.60 4.17 0.00 1.62 1.98 1.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.91 4.53 0.00 3.03 2.95 0.00 0.00 7.28 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 83 V 7.58 3.04 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 0.03 0.00 0.00 0.99 0.00 0.00 84 V 8.31 3.52 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.02 0.00 0.00 85 K 7.96 3.94 0.00 1.89 2.08 0.00 1.80 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.52 7.81 86 T 8.17 4.07 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 1.37 0.00 0.00 87 G 8.50 3.74 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 0.00 0.00 0.00 88 R 7.92 3.99 0.00 2.05 2.01 0.00 3.30 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 1.67 2.01 0.00 89 V 7.41 3.58 2.25 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 0.82 0.00 0.00 0.99 0.00 0.00 90 M 8.44 4.12 0.00 1.71 2.02 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.39 0.00 91 L 7.89 4.10 0.00 1.89 1.74 1.18 1.00 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 92 G 8.06 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 0.00 0.00 0.00 0.00 93 E 8.35 4.17 0.00 2.15 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 2.47 2.34 0.00 94 T 8.42 3.85 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 1.21 0.00 0.00 95 N 7.51 4.65 0.00 2.75 2.71 0.00 0.00 7.02 7.59 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 96 P 0.00 4.08 0.00 2.38 2.29 0.00 3.98 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.09 0.00 97 A 8.33 4.03 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 98 D 8.42 4.77 0.00 2.62 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.70 4.31 0.00 3.89 3.83 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 0.00 100 K 8.63 4.25 0.00 1.65 1.68 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.39 7.81 101 P 0.00 4.28 0.00 1.88 1.93 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 102 G 9.43 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 0.00 103 T 7.52 4.49 4.36 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 1.25 0.00 0.00 104 I 8.19 3.89 1.97 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 1.70 0.86 1.13 0.00 0.00 105 R 8.34 4.11 0.00 1.98 2.00 0.00 3.42 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.81 0.00 106 G 7.94 3.61 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 0.00 0.00 0.00 107 D 7.91 4.34 0.00 1.58 1.72 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 0.00 108 F 7.89 5.03 0.00 3.06 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 0.00 109 C 8.15 5.02 0.00 3.21 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 0.00 110 I 8.47 4.26 1.89 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 1.31 0.70 0.92 0.00 0.00 111 Q 7.62 4.56 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 112 V 8.38 3.57 2.01 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 0.82 0.00 0.00 0.98 0.00 0.00 113 G 8.29 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 0.00 0.00 0.00 114 R 7.44 4.65 0.00 1.84 2.16 0.00 3.39 0.00 0.00 3.49 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 115 N 8.01 4.85 0.00 2.87 3.00 0.00 0.00 6.11 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 0.00 116 I 8.36 2.89 1.91 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.58 1.03 0.00 0.00 117 I 8.20 5.02 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.81 1.00 0.00 0.00 118 H 9.56 4.99 0.00 3.25 3.04 0.00 5.77 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 0.00 119 G 8.33 4.35 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 0.00 120 S 8.40 4.62 0.00 3.81 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 0.00 121 D 8.97 4.57 0.00 2.83 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 0.00 122 S 7.45 4.59 0.00 4.04 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 V 8.22 3.74 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 0.85 0.00 0.00 0.95 0.00 0.00 124 K 7.97 3.98 0.00 1.83 1.82 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.54 7.81 125 S 8.05 4.16 0.00 4.05 3.93 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 0.00 126 A 8.39 4.34 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 0.00 0.00 127 E 8.40 4.03 0.00 2.02 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 2.53 2.52 0.00 128 K 7.85 3.91 0.00 1.96 1.84 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.66 7.81 129 E 8.57 3.93 0.00 2.11 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 2.26 2.49 0.00 130 I 8.35 4.01 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.95 1.04 0.00 0.00 131 S 7.91 4.21 0.00 4.03 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 0.00 132 L 8.13 4.00 0.00 1.67 1.80 0.22 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 133 W 8.39 4.29 0.00 2.91 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 0.00 134 F 8.07 5.22 0.00 3.20 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 0.00 135 K 9.35 4.58 0.00 1.85 1.75 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.40 7.81 136 P 0.00 4.29 0.00 2.23 2.36 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 137 E 8.14 4.26 0.00 1.97 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 2.31 2.34 0.00 138 E 8.48 4.27 0.00 2.27 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 0.00 2.39 2.37 0.00 139 L 7.47 4.20 0.00 1.48 1.58 0.87 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.59 3.88 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.98 0.00 0.00 141 D 8.79 5.01 0.00 2.58 2.56 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 0.00 142 Y 7.91 4.81 0.00 3.03 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 0.00 143 K 8.54 4.40 0.00 1.65 1.71 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.31 7.81 144 S 8.68 4.44 0.00 4.18 4.15 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 0.00 145 C 9.02 4.13 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 0.00 146 A 7.99 4.90 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 0.00 147 H 8.52 4.19 0.00 3.41 3.41 0.00 5.59 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 0.00 148 D 8.04 4.46 0.00 2.33 2.37 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 0.00 149 W 7.87 4.67 0.00 3.43 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 0.00 150 V 7.45 3.85 1.59 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 0.11 0.00 0.00 0.90 0.00 0.00 151 Y 7.56 4.36 0.00 2.86 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 * Residues marked with a * may have inaccurate shift predictions.