NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.4600 8.4293 116.1805 55.0683 30.3319 173.2495 2 C 4.1451 7.5978 114.0159 56.8164 30.2031 172.2430 3 D 4.5824 8.3310 118.6543 54.9933 40.1504 175.4070 4 L 4.0728 8.0034 120.7272 57.0803 42.2569 175.7590 5 P 4.5594 0.0000 0.0000 62.3152 32.3063 175.3163 6 C 4.3670 8.4568 113.0783 57.5802 30.8378 175.0451 7 G 3.9711 8.3342 107.5641 45.4831 0.0000 172.8920 8 V 4.3674 7.3053 119.1460 61.0787 32.8510 174.3530 9 Y 4.7329 8.1933 123.3898 56.8601 42.1576 174.3156 10 D 3.7435 8.0244 118.8588 51.6753 43.8472 174.6303 11 P 4.0520 0.0000 0.0000 64.8508 31.1185 178.1517 12 A 3.9681 8.4684 120.4476 55.0299 17.6247 179.6261 13 Q 3.7718 8.0300 116.5154 59.0710 28.7732 178.8944 14 A 4.0508 7.7630 121.2390 54.9797 18.4267 179.3598 15 R 3.8334 8.1258 117.3581 59.7318 30.2296 178.6279 16 I 3.6864 7.9574 119.7306 64.6585 37.1433 178.3335 17 E 3.9916 7.9532 118.1729 59.3545 29.3248 179.3078 18 A 4.0842 8.2128 120.7663 54.9565 18.2914 179.5920 19 E 3.9599 8.4263 117.7941 59.6739 29.4804 179.6296 20 S 4.1334 7.9830 115.1701 61.3903 62.8607 176.7364 21 V 3.5633 7.7746 120.9582 66.0558 31.2580 178.0676 22 K 4.1175 8.1569 118.9484 59.4926 32.0997 178.5726 23 A 4.0330 8.4192 121.4916 55.2537 18.1764 179.7432 24 I 3.7759 8.2727 118.8298 64.6118 37.1131 178.6530 25 Q 4.0206 8.1138 118.9946 58.9390 28.6552 178.7043 26 E 4.0122 8.4287 119.7157 59.4182 29.5180 179.5662 27 K 4.1574 8.1426 118.4419 59.7760 31.9054 179.3732 28 M 4.4374 8.2969 118.0564 58.1261 31.8955 178.3220 29 A 4.1456 7.7834 119.8462 54.4964 18.5676 178.8661 30 A 4.4568 7.5162 117.3548 52.6054 19.3810 176.6389 31 N 4.6375 7.7139 116.4186 52.0957 39.1009 173.9942 32 D 4.6614 8.5642 124.9227 54.6271 41.5178 177.1381 33 D 4.4269 8.4539 120.6234 54.1702 42.4294 176.0280 34 L 3.9263 8.6577 128.6062 58.9890 42.2230 178.8322 35 H 4.0903 8.2393 115.3555 58.9088 28.6470 177.4805 36 F 4.1981 8.6973 122.4606 61.3078 39.2609 177.2334 37 Q 3.9328 8.5032 118.0256 58.8652 28.3949 178.9892 38 I 3.6224 7.9313 120.8909 64.5025 37.1362 178.6430 39 R 3.8075 7.9318 118.5472 59.1944 29.8466 179.0014 40 A 3.7017 7.8879 120.7875 55.3141 18.2719 179.8729 41 T 3.7402 7.7651 114.1807 66.5820 68.3782 177.0295 42 V 3.5318 7.8357 120.2343 66.2956 31.5770 178.2505 43 I 4.0248 7.9250 121.0848 63.5266 36.8273 178.3373 44 K 3.9104 8.4454 121.1217 59.2721 31.9701 178.3931 45 E 3.8917 8.1745 119.6262 59.4534 29.0478 178.8840 46 Q 3.9752 7.7943 117.9370 59.1854 28.8006 179.1372 47 R 4.0040 8.2238 118.8629 58.9984 30.0515 178.9622 48 A 4.0062 8.3241 121.0758 55.0676 18.3649 179.2906 49 E 3.8847 8.2263 117.9094 59.4036 29.6216 179.1026 50 L 3.9575 8.0212 118.9191 57.5671 41.6511 179.2553 51 A 4.0528 8.1805 120.7939 55.1520 18.3507 179.8119 52 K 3.9035 8.2157 117.0038 59.7788 32.0869 178.9394 53 H 4.1192 8.3215 118.4223 59.7786 29.9207 176.9390 54 H 4.1926 8.3362 118.0429 58.9086 28.5054 177.8723 55 L 4.1032 8.0669 120.7857 57.8975 41.5004 179.1216 56 D 4.5837 8.6742 119.3064 57.5556 40.7696 179.1585 57 V 3.7827 8.1082 118.7512 65.8758 31.5108 178.0994 58 L 3.9722 8.0021 118.3878 57.5264 41.2928 179.2711 59 W 4.6574 8.4315 127.1548 60.7657 30.8212 177.7737 60 S 3.9878 8.8959 113.0781 60.4778 62.8489 175.0770 61 D 4.7230 8.2864 120.8254 55.8789 41.8770 177.4341 62 Y 3.3555 7.5816 118.2748 60.1411 39.0160 175.7438 63 F 4.0042 8.0019 118.3259 57.3208 39.5185 175.2140 64 K 4.5474 8.1079 123.7848 53.6842 35.0086 175.2413 65 P 4.4701 0.0000 0.0000 65.9643 31.0763 177.2051 66 P 4.2771 0.0000 0.0000 65.7076 31.1012 178.4220 67 H 4.3431 7.9764 115.3392 58.9350 28.6570 177.8661 68 F 4.2983 7.7503 118.9883 60.2129 38.5327 177.6240 69 E 4.1175 7.9179 117.7858 59.6020 29.4485 179.1416 70 S 4.1605 8.2776 114.2357 60.1535 64.0750 174.2766 71 Y 4.6623 8.0523 119.3709 54.6419 38.0356 173.8546 72 P 4.4456 0.0000 0.0000 64.3101 32.0270 177.2330 73 E 4.4174 8.1606 115.7030 56.5306 30.2380 177.6861 74 L 3.9483 8.3434 122.4007 58.4174 41.9668 178.4248 75 H 4.3959 8.3369 115.5729 59.4237 28.7763 177.6934 76 T 3.7984 7.9449 116.8650 66.3856 68.2986 176.2269 77 L 3.8117 8.2302 122.5504 58.2826 42.1305 179.2897 78 V 3.5578 8.0009 118.3157 65.8349 31.4611 177.4101 79 N 4.0110 8.1327 116.9314 56.7288 38.6970 176.7358 80 E 3.6951 8.4046 120.0697 58.9332 29.3749 179.1729 81 A 3.8763 7.6438 120.7922 55.4009 18.5551 180.1978 82 V 3.5852 7.7987 110.8874 64.4566 31.5275 179.0626 83 K 4.0023 8.1245 118.0606 59.1172 31.7834 179.2702 84 A 4.0840 8.1606 121.5181 54.9145 18.2798 179.6899 85 L 3.9925 7.8609 117.8227 57.9532 41.4664 179.7421 86 S 4.1306 7.9101 114.2292 61.4884 62.8753 176.2587 87 A 4.1175 8.1844 123.3694 55.0743 18.1449 179.5521 88 A 4.0656 8.0969 120.7522 54.6376 18.1797 179.9429 89 K 3.9205 7.9733 116.1468 59.2919 32.1909 178.3904 90 A 4.4585 7.3994 118.0280 51.3097 18.9642 176.6781 91 S 4.6525 7.3476 112.2101 57.2904 65.6221 173.8778 92 T 4.3379 8.3434 113.3220 61.2863 69.5410 173.8622 93 D 4.5349 8.2604 124.1718 53.1668 41.1396 174.9041 94 P 4.7294 0.0000 0.0000 64.8076 31.2185 178.3087 95 A 3.9979 8.4947 120.1730 55.2313 17.9879 179.7309 96 T 4.0026 8.2637 108.7305 64.8248 68.8768 177.2687 97 G 3.5839 8.0286 108.1971 47.5627 0.0000 175.3642 98 Q 3.9849 8.3853 122.2119 58.7346 29.0382 178.1391 99 K 3.8025 8.2511 120.5684 59.3930 32.1297 178.6639 100 A 4.1758 7.8702 121.1315 55.2516 18.3600 179.6032 101 L 3.9659 7.9226 117.5426 58.0001 41.5046 179.5637 102 D 4.3295 8.3818 119.3379 57.5449 40.7264 178.4309 103 Y 4.2480 7.8829 117.2794 61.1570 37.8744 178.5092 104 I 3.7879 8.2332 120.7608 64.4141 37.1691 178.3517 105 A 4.2315 8.2288 121.5580 55.1611 18.0505 179.7773 106 Q 4.0290 7.9065 116.9748 59.1208 28.7510 178.8519 107 I 3.7812 7.9365 120.9856 64.3259 37.1727 177.7555 108 D 4.3674 8.6740 119.3418 57.4501 41.1210 178.6720 109 K 4.1717 8.0299 118.3583 59.7050 32.0738 179.4831 110 I 3.4810 7.6198 119.8175 63.9435 37.0050 178.0672 111 F 4.0538 8.6573 122.0413 61.4202 39.2938 177.4316 112 W 4.2293 8.3832 118.1579 59.5085 28.6130 178.5114 113 E 4.0821 8.1506 118.8121 59.6791 28.7292 179.4658 114 T 3.9671 7.7991 108.5816 64.6518 68.7685 176.4092 115 K 4.0169 7.4161 120.5287 59.1317 32.1336 179.0178 116 K 4.2230 7.9618 116.7847 58.2739 32.1863 177.4914 117 A 4.3275 7.6373 125.3493 52.4187 18.4623 176.8737 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 H 8.43 4.46 0.00 3.20 3.18 0.00 5.47 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 7.60 4.15 0.00 3.09 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 3 D 8.33 4.58 0.00 2.87 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 4 L 8.00 4.07 0.00 1.59 1.73 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.56 0.00 2.29 2.09 0.00 3.80 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 2.00 1.97 0.00 6 C 8.46 4.37 0.00 3.00 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 7 G 8.33 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 8 V 7.31 4.37 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 0.89 0.00 0.00 0.93 0.00 0.00 9 Y 8.19 4.73 0.00 2.79 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.02 3.74 0.00 2.58 2.36 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 11 P 0.00 4.05 0.00 2.14 1.86 0.00 2.81 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.02 0.00 12 A 8.47 3.97 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 13 Q 8.03 3.77 0.00 1.80 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 14 A 7.76 4.05 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 15 R 8.13 3.83 0.00 1.88 2.07 0.00 3.23 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 16 I 7.96 3.69 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 1.51 0.90 0.91 0.00 0.00 17 E 7.95 3.99 0.00 2.18 2.21 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 2.54 2.56 0.00 18 A 8.21 4.08 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 19 E 8.43 3.96 0.00 2.27 2.02 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 2.34 2.48 0.00 20 S 7.98 4.13 0.00 4.09 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 21 V 7.77 3.56 2.30 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 1.00 0.00 0.00 1.00 0.00 0.00 22 K 8.16 4.12 0.00 1.89 1.80 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.62 7.81 23 A 8.42 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 24 I 8.27 3.78 2.02 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 1.54 0.72 0.90 0.00 0.00 25 Q 8.11 4.02 0.00 2.29 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 26 E 8.43 4.01 0.00 2.16 2.02 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 2.56 2.51 0.00 27 K 8.14 4.16 0.00 2.22 2.18 0.00 1.82 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.65 7.81 28 M 8.30 4.44 0.00 2.04 2.31 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.50 0.00 29 A 7.78 4.15 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 30 A 7.52 4.46 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 31 N 7.71 4.64 0.00 2.38 2.36 0.00 0.00 7.29 8.50 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 32 D 8.56 4.66 0.00 2.73 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 33 D 8.45 4.43 0.00 2.87 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 34 L 8.66 3.93 0.00 1.78 1.62 0.88 1.00 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 35 H 8.24 4.09 0.00 3.49 3.41 0.00 5.87 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 36 F 8.70 4.20 0.00 3.18 3.23 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 37 Q 8.50 3.93 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 38 I 7.93 3.62 1.98 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.69 0.88 0.00 0.00 39 R 7.93 3.81 0.00 1.71 1.89 0.00 3.16 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 40 A 7.89 3.70 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.77 3.74 4.31 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 1.17 0.00 0.00 42 V 7.84 3.53 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 1.00 0.00 0.00 0.97 0.00 0.00 43 I 7.93 4.02 1.89 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 1.37 1.04 0.89 0.00 0.00 44 K 8.45 3.91 0.00 1.79 1.97 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.44 7.81 45 E 8.17 3.89 0.00 2.30 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 2.29 2.39 0.00 46 Q 7.79 3.98 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 47 R 8.22 4.00 0.00 1.83 2.09 0.00 3.29 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.79 0.00 48 A 8.32 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 49 E 8.23 3.88 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 50 L 8.02 3.96 0.00 1.92 1.70 0.93 0.79 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 51 A 8.18 4.05 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 52 K 8.22 3.90 0.00 1.99 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.64 7.81 53 H 8.32 4.12 0.00 3.23 3.43 0.00 5.79 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 54 H 8.34 4.19 0.00 3.35 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.07 4.10 0.00 1.91 1.77 0.95 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.67 4.58 0.00 2.88 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.11 3.78 2.30 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 1.22 0.00 0.00 0.90 0.00 0.00 58 L 8.00 3.97 0.00 2.12 1.72 0.80 0.27 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 59 W 8.43 4.66 0.00 3.48 3.62 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 60 S 8.90 3.99 0.00 4.02 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 0.00 61 D 8.29 4.72 0.00 3.01 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 7.58 3.36 0.00 1.43 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 63 F 8.00 4.00 0.00 2.91 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 0.00 0.00 0.00 64 K 8.11 4.55 0.00 1.41 1.54 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.22 1.14 7.81 65 P 0.00 4.47 0.00 2.15 2.17 0.00 3.55 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 66 P 0.00 4.28 0.00 2.00 2.03 0.00 3.36 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 2.00 2.11 0.00 67 H 7.98 4.34 0.00 2.92 3.15 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.75 4.30 0.00 3.22 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 69 E 7.92 4.12 0.00 2.13 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 2.53 2.50 0.00 70 S 8.28 4.16 0.00 3.67 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 71 Y 8.05 4.66 0.00 2.86 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 72 P 0.00 4.45 0.00 2.08 2.18 0.00 3.75 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.24 0.00 73 E 8.16 4.42 0.00 2.06 2.02 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 2.41 2.28 0.00 74 L 8.34 3.95 0.00 1.79 1.82 0.61 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.34 4.40 0.00 3.27 3.35 0.00 5.68 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 76 T 7.94 3.80 4.41 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 1.23 0.00 0.00 77 L 8.23 3.81 0.00 1.85 1.92 1.08 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.00 3.56 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 1.04 0.00 0.00 1.19 0.00 0.00 79 N 8.13 4.01 0.00 2.73 2.74 0.00 0.00 7.22 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 80 E 8.40 3.70 0.00 1.29 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.37 0.00 81 A 7.64 3.88 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 82 V 7.80 3.59 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 0.83 0.00 0.00 0.85 0.00 0.00 83 K 8.12 4.00 0.00 1.91 1.80 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.43 7.81 84 A 8.16 4.08 1.56 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 85 L 7.86 3.99 0.00 1.90 1.73 0.96 0.90 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 86 S 7.91 4.13 0.00 4.00 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 87 A 8.18 4.12 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.10 4.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 K 7.97 3.92 0.00 1.95 2.03 0.00 1.69 0.00 0.00 1.97 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.65 7.81 90 A 7.40 4.46 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 91 S 7.35 4.65 0.00 3.81 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 92 T 8.34 4.34 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 1.21 0.00 0.00 93 D 8.26 4.53 0.00 2.70 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 94 P 0.00 4.73 0.00 2.20 2.12 0.00 3.94 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 2.21 2.01 0.00 95 A 8.49 4.00 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 96 T 8.26 4.00 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 1.22 0.00 0.00 97 G 8.03 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.39 3.98 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 99 K 8.25 3.80 0.00 1.96 1.98 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.27 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.33 7.81 100 A 7.87 4.18 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 0.00 101 L 7.92 3.97 0.00 1.93 1.74 0.98 1.15 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 0.00 102 D 8.38 4.33 0.00 2.57 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.88 4.25 0.00 3.19 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 0.00 104 I 8.23 3.79 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.69 0.93 0.00 0.00 105 A 8.23 4.23 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 0.00 106 Q 7.91 4.03 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.66 0.00 107 I 7.94 3.78 2.09 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.85 1.11 0.00 0.00 108 D 8.67 4.37 0.00 2.87 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 0.00 109 K 8.03 4.17 0.00 2.07 1.91 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.70 7.81 110 I 7.62 3.48 1.72 0.00 0.00 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 1.00 0.58 0.03 0.00 0.00 111 F 8.66 4.05 0.00 2.95 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 0.00 112 W 8.38 4.23 0.00 3.54 3.25 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 0.00 113 E 8.15 4.08 0.00 2.14 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 0.00 2.41 2.56 0.00 114 T 7.80 3.97 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 1.26 0.00 0.00 115 K 7.42 4.02 0.00 2.03 1.96 0.00 1.50 0.00 0.00 0.99 0.00 0.00 2.96 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.39 0.59 7.81 116 K 7.96 4.22 0.00 1.97 1.92 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.73 7.81 117 A 7.64 4.33 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