NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3821 8.2893 120.3492 55.5257 32.0795 174.0354 2 N 4.4860 8.0601 121.2173 50.4303 37.8996 171.1442 3 E 3.9486 9.3415 125.3552 57.0071 29.3813 178.4488 4 L 4.4124 8.1622 124.7297 53.4002 40.6832 176.0032 5 E 4.5325 8.0286 123.3527 53.5510 32.1145 175.8411 6 G 3.7885 8.1554 112.6374 45.2409 0.0000 172.1904 7 Y 4.7653 8.7989 117.2483 56.1048 40.1326 176.8464 8 V 4.0689 8.5853 123.7624 63.4090 32.5177 177.5078 9 T 4.2238 8.1550 117.3088 66.0352 68.9030 175.0217 10 K 4.3967 7.9396 120.1856 56.5488 32.4366 177.1274 11 A 4.3048 8.1432 123.7442 53.5371 18.9889 182.0858 12 Q 3.4759 7.7217 111.6729 57.9993 31.5553 180.1724 13 S 4.0703 8.0082 110.9177 60.0255 63.1628 174.3469 14 F 4.2368 8.5800 119.9413 56.5137 39.8270 174.4888 15 R 4.5618 8.3917 121.7529 54.7178 32.2569 174.3598 16 F 5.6667 8.7166 123.0819 55.7778 43.9006 173.5450 17 A 4.6844 8.5429 120.6060 50.5030 22.5149 175.2166 18 I 4.8188 8.7981 122.8937 59.4770 40.3795 175.0007 19 V 4.6121 8.6968 125.5108 61.1926 34.3565 174.6063 20 V 5.2740 8.7962 120.6803 58.3526 35.2410 174.6615 21 A 5.6809 8.4437 125.6435 50.5907 19.6531 177.8219 22 R 4.2730 9.0581 121.6005 58.8342 30.7207 176.6695 23 F 4.0998 8.2844 119.8409 59.7936 39.8445 174.1795 24 N 4.3200 8.4675 123.1503 54.2429 36.3693 176.0560 25 E 4.5186 8.0721 121.4041 59.2813 29.3999 177.5707 26 F 3.9845 8.3243 118.6411 60.9934 39.4391 176.4359 27 V 4.1203 8.3956 117.1871 65.0644 32.0687 177.5514 28 T 3.8640 8.0130 109.0751 65.1421 68.2742 175.3052 29 R 4.0574 8.5574 122.0117 59.3684 29.9670 178.1345 30 R 3.8169 7.9687 116.7530 59.3216 30.1390 178.1975 31 L 3.8462 8.2298 120.1860 58.6217 41.9580 178.6864 32 M 3.8668 8.5980 117.8427 58.8409 32.1675 177.6517 33 E 4.0804 8.7281 119.1147 59.6335 29.5544 179.9201 34 G 3.4813 8.4126 105.4754 47.6901 0.0000 175.3014 35 A 3.6641 7.8460 124.0744 54.7990 18.4453 178.8729 36 L 4.0688 8.2615 118.7383 58.6816 42.0024 178.2989 37 D 4.3980 8.5487 117.7000 58.1290 41.0994 178.7300 38 T 3.8825 8.0349 115.9860 66.9177 68.2096 176.1059 39 F 4.3390 7.5759 118.0115 60.7528 39.2833 177.4611 40 K 4.1876 8.1501 117.2048 59.6683 31.7512 179.0961 41 K 3.8462 8.5562 118.6060 59.2197 32.6194 176.8731 42 Y 4.3115 8.6667 117.6358 58.5035 38.4915 176.0252 43 S 3.7692 8.1620 111.0797 58.8386 63.4839 172.8139 44 V 3.9777 7.8091 120.1310 62.1057 31.7298 175.7947 45 N 4.7075 8.3179 120.8143 53.7337 40.5596 174.1045 46 E 4.5087 9.0382 126.1346 56.3796 30.7272 174.5214 47 D 4.3003 8.8116 114.0795 59.6163 40.1561 173.8792 48 I 3.5858 6.5464 109.0175 58.4500 39.4333 174.5100 49 D 4.6394 8.7611 124.5267 54.0888 42.2108 175.4117 50 V 4.6486 8.3578 116.2643 59.5479 34.0651 175.0120 51 V 4.2938 8.7961 126.5306 60.9332 33.4237 174.3405 52 W 5.2453 8.8678 128.0462 55.8112 30.3446 176.1398 53 V 4.7124 9.0793 118.1629 58.8566 34.7957 174.8572 54 P 4.3565 0.0000 0.0000 65.5231 32.0362 176.3783 55 G 4.5458 8.1733 108.0839 42.3893 0.0000 173.0948 56 A 3.9573 8.6582 122.6652 55.4004 18.3266 179.4035 57 Y 3.9251 8.3626 116.0213 61.2324 38.6144 178.1836 58 E 4.1138 8.6213 119.1473 59.4075 29.5187 179.3130 59 L 3.9771 7.8393 119.3365 58.7478 41.7404 179.0474 60 G 3.6674 7.8620 101.1492 49.3449 0.0000 175.5846 61 V 3.6659 7.7476 111.9632 63.9159 32.1543 178.5713 62 T 3.8375 7.7474 114.7427 66.6709 68.2702 176.2677 63 A 3.8901 8.5914 122.6203 55.6557 18.4053 179.4071 64 Q 3.8487 8.4366 118.1508 60.0171 29.2560 178.7604 65 A 4.0184 8.7930 122.2204 54.5488 18.0655 179.1234 66 L 4.1483 8.2307 117.9732 57.8023 42.3434 180.2442 67 G 3.8115 8.9304 105.7241 47.9782 0.0000 176.0608 68 K 4.1374 8.1359 120.3242 58.2912 32.3287 178.9801 69 S 4.3431 8.3632 114.2267 58.7069 62.6830 175.2611 70 G 3.9196 7.9059 109.5693 46.2633 0.0000 174.7729 71 K 3.7979 7.8311 119.4657 58.1410 32.2088 176.8936 72 Y 4.7620 7.3605 114.1671 56.5520 40.3973 174.9278 73 H 4.8143 9.1635 118.4387 57.6291 29.9942 175.8326 74 A 4.9813 7.9059 118.2222 50.6846 22.7233 175.1066 75 I 4.9024 8.8285 115.5086 58.9305 40.7540 174.6517 76 V 4.6244 8.8267 125.7401 60.1077 33.8572 174.1265 77 C 5.1169 9.0845 122.9602 57.8953 30.6296 172.8183 78 L 5.5159 8.0924 123.5069 52.0838 44.9554 175.8000 79 G 4.3301 8.0597 107.3041 46.3748 0.0000 171.9334 80 A 5.1853 8.5480 121.4488 50.5706 22.1311 176.2748 81 V 4.2682 9.1305 123.3054 59.9128 33.5291 175.2380 82 V 4.2635 8.4495 119.5028 60.6369 32.6024 177.7322 83 K 3.5402 8.5081 127.2218 56.6818 29.0501 176.9692 84 G 3.7927 8.5381 113.1143 47.2239 0.0000 171.6307 85 D 4.6280 7.8815 116.9220 54.5431 43.0825 177.7302 86 T 4.2613 8.5507 115.5933 61.3689 70.7473 176.0541 87 S 4.9710 8.5447 116.9361 60.1175 62.6195 175.2337 88 H 3.8898 7.9430 122.7424 60.0912 29.4488 175.3443 89 Y 4.1802 8.1685 120.5462 61.4505 38.5058 177.6945 90 D 4.1925 8.5243 118.1881 58.0054 41.0554 178.6734 91 A 3.8486 8.3086 120.1258 55.9173 18.3249 179.4339 92 V 3.6089 8.4233 115.7555 66.0158 31.6249 178.3132 93 V 3.4783 8.1477 117.8542 66.3959 31.2108 177.8361 94 N 4.2300 8.7944 116.2307 56.3781 38.3627 177.2429 95 S 3.9419 8.1358 116.0826 62.0772 62.9825 176.3903 96 A 3.9384 8.7190 123.7595 55.3899 17.9702 179.1140 97 S 4.2599 8.7974 110.4951 61.7821 62.5068 176.4848 98 S 4.1071 8.9509 116.2675 61.6418 62.1056 176.2624 99 G 3.6356 8.5350 108.4399 48.1959 0.0000 175.3993 100 V 3.6955 7.9826 121.1453 65.7658 31.4436 177.4362 101 L 3.9248 8.2215 120.1072 57.6727 41.8346 178.7378 102 S 4.0813 8.7763 114.8690 62.0604 62.9918 176.4987 103 A 4.1020 8.5981 123.2419 55.3749 17.9616 179.4918 104 G 4.3366 8.2337 102.9802 47.8572 0.0000 175.4172 105 L 4.0284 7.8253 120.1550 57.5922 41.8018 179.0554 106 N 4.5028 8.6504 115.7141 56.4320 38.6307 177.3777 107 S 4.3900 8.8066 114.6312 58.9494 63.3723 175.3787 108 G 3.9759 8.0953 109.4727 45.6952 0.0000 172.8447 109 V 4.5459 7.8825 120.2409 59.8406 34.3528 173.2167 110 P 4.5291 0.0000 0.0000 63.2680 32.3138 174.7739 111 C 5.2559 8.5909 122.2530 57.8149 30.6749 173.7927 112 V 3.7520 8.8475 125.8729 62.4998 32.3251 175.4262 113 F 4.5001 8.9729 131.6568 56.4332 37.7894 175.5378 114 G 4.1704 8.7087 118.3888 44.0997 0.0000 170.7629 115 V 4.8114 6.3934 116.9701 59.5878 34.3823 177.3085 116 L 4.4126 8.9008 125.8843 54.1581 42.8950 177.1869 117 T 5.3483 7.9404 112.3818 60.3387 68.2025 173.1731 118 C 4.2739 8.1658 119.1949 60.4742 30.1585 174.5275 119 D 4.5223 8.9976 120.1792 55.9868 39.5935 176.6589 120 N 4.7146 9.5378 116.3640 51.9487 39.4446 175.8162 121 M 3.9641 8.8473 119.8654 59.2298 32.1854 177.8171 122 D 4.3727 8.2321 117.2527 57.7854 41.0089 178.1360 123 Q 3.9965 8.7333 116.8163 59.0301 29.0295 178.6681 124 A 4.1621 7.7272 120.7393 55.5509 18.3589 179.4534 125 I 3.7724 8.1286 118.3283 65.1695 37.2021 178.2817 126 N 4.4191 8.1414 116.7298 56.1655 38.3959 177.5198 127 R 4.0453 8.6146 119.2225 57.5531 30.8068 176.8198 128 A 4.4758 7.5615 123.6396 51.5768 18.4325 177.5669 129 G 3.9288 8.9502 106.3889 45.8884 0.0000 174.0828 130 G 4.2158 7.8191 111.0150 44.0456 0.0000 175.3970 131 K 4.1894 8.2981 120.0426 58.1586 32.5361 177.2163 132 A 4.4826 7.9901 121.4559 51.7968 20.0506 178.4790 133 G 3.7172 8.6533 105.5339 45.3481 0.0000 172.7845 134 N 5.8255 7.9869 118.9966 49.8837 41.3782 175.5893 135 K 4.1478 8.1512 131.2061 59.0159 32.3250 177.9400 136 G 3.7757 8.2359 104.8690 48.1152 0.0000 174.7826 137 A 3.7758 8.4169 123.2782 54.6036 18.0957 179.2842 138 E 3.7344 8.0545 116.7400 59.8496 29.0476 179.8576 139 S 3.9953 8.6091 115.0739 61.5172 62.8252 176.4615 140 A 3.3698 7.5367 123.1333 54.8906 17.9661 179.0439 141 L 3.3532 7.4539 118.4214 58.6747 42.0223 179.4759 142 T 3.6904 7.9317 115.3460 66.4095 68.2931 176.0956 143 A 3.8913 8.0343 123.0221 55.8370 18.2398 179.1281 144 I 3.6361 7.5469 117.6902 64.7331 37.1630 177.7518 145 E 3.8387 8.3471 119.3289 59.9405 29.4749 179.3797 146 M 3.8423 8.4692 118.2754 58.3984 31.7876 178.1563 147 A 3.8580 7.9121 119.7129 55.2900 18.7871 178.9110 148 S 4.2288 7.9702 110.9247 61.6091 62.3621 176.2149 149 L 4.0139 8.4064 122.9530 58.6805 41.7800 179.0650 150 F 4.4401 8.7831 117.3242 59.2000 39.8512 174.7368 151 E 5.1206 7.9698 118.1314 52.8037 28.7877 173.8094 152 H 4.8583 7.8326 129.0669 56.8141 32.3870 174.6196 153 H 4.4718 9.0213 113.7990 57.2244 29.0202 174.8839 154 L 3.9765 7.3081 120.9801 53.0974 41.9267 173.9856 155 K 4.1203 7.5151 120.9758 56.8074 32.7122 175.9678 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 8.29 4.38 0.00 1.98 2.09 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 2.48 2.60 0.00 2 N 8.06 4.49 0.00 2.91 2.78 0.00 0.00 6.33 6.77 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 3 E 9.34 3.95 0.00 1.97 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 2.31 2.33 0.00 4 L 8.16 4.41 0.00 1.68 1.83 0.96 0.98 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 E 8.03 4.53 0.00 1.78 1.57 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 2.03 2.17 0.00 6 G 8.16 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 7 Y 8.80 4.77 0.00 2.97 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 8 V 8.59 4.07 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 0.97 0.00 0.00 0.89 0.00 0.00 9 T 8.15 4.22 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 1.25 0.00 0.00 10 K 7.94 4.40 0.00 1.95 1.87 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.35 0.00 0.00 3.60 0.00 0.00 0.00 0.00 1.60 1.84 7.81 11 A 8.14 4.30 1.58 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 12 Q 7.72 3.48 0.00 2.31 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 13 S 8.01 4.07 0.00 3.62 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.58 4.24 0.00 2.64 2.29 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 15 R 8.39 4.56 0.00 1.82 1.63 0.00 3.11 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.77 0.00 16 F 8.72 5.67 0.00 2.49 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 17 A 8.54 4.68 0.11 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 0.00 0.00 18 I 8.80 4.82 1.74 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 1.17 0.77 0.74 0.00 0.00 19 V 8.70 4.61 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.81 0.00 0.00 20 V 8.80 5.27 1.71 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 0.64 0.00 0.00 -0.63 0.00 0.00 21 A 8.44 5.68 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 22 R 9.06 4.27 0.00 1.99 2.15 0.00 3.14 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.38 0.00 23 F 8.28 4.10 0.00 3.30 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 24 N 8.47 4.32 0.00 3.26 3.06 0.00 0.00 6.72 7.66 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 25 E 8.07 4.52 0.00 2.33 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 2.36 2.28 0.00 26 F 8.32 3.98 0.00 3.11 3.16 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 27 V 8.40 4.12 2.28 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 1.06 0.00 0.00 1.16 0.00 0.00 28 T 8.01 3.86 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 1.36 0.00 0.00 29 R 8.56 4.06 0.00 2.17 1.99 0.00 3.36 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 30 R 7.97 3.82 0.00 2.07 1.93 0.00 3.25 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.50 0.00 31 L 8.23 3.85 0.00 1.87 1.70 0.89 0.84 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 32 M 8.60 3.87 0.00 2.12 1.81 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.60 0.00 33 E 8.73 4.08 0.00 2.15 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 0.00 2.36 2.59 0.00 34 G 8.41 3.48 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 0.00 0.00 0.00 35 A 7.85 3.66 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 36 L 8.26 4.07 0.00 1.99 1.72 1.02 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.55 4.40 0.00 2.80 2.83 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 38 T 8.03 3.88 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 39 F 7.58 4.34 0.00 3.34 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 40 K 8.15 4.19 0.00 2.00 1.94 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.67 7.81 41 K 8.56 3.85 0.00 2.06 2.30 0.00 1.96 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.49 7.81 42 Y 8.67 4.31 0.00 3.32 3.07 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 43 S 8.16 3.77 0.00 4.13 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 44 V 7.81 3.98 2.41 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 0.88 0.00 0.00 1.31 0.00 0.00 45 N 8.32 4.71 0.00 2.75 2.75 0.00 0.00 6.93 7.53 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 46 E 9.04 4.51 0.00 1.92 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 2.14 2.24 0.00 47 D 8.81 4.30 0.00 2.78 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 48 I 6.55 3.59 1.72 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 1.40 1.62 0.54 0.00 0.00 49 D 8.76 4.64 0.00 2.61 2.65 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 50 V 8.36 4.65 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 0.61 0.00 0.00 0.91 0.00 0.00 51 V 8.80 4.29 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 1.03 0.00 0.00 0.86 0.00 0.00 52 W 8.87 5.25 0.00 3.26 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 53 V 9.08 4.71 2.17 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 0.81 0.00 0.00 1.03 0.00 0.00 54 P 0.00 4.36 0.00 2.21 2.38 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.05 0.00 55 G 8.17 4.55 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 0.00 0.00 0.00 56 A 8.66 3.96 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 57 Y 8.36 3.93 0.00 3.00 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 58 E 8.62 4.11 0.00 2.42 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 2.42 2.50 0.00 59 L 7.84 3.98 0.00 1.75 1.70 0.78 0.79 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 60 G 7.86 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.75 3.67 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.03 0.00 0.00 62 T 7.75 3.84 4.38 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 1.21 0.00 0.00 63 A 8.59 3.89 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 64 Q 8.44 3.85 0.00 2.20 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 65 A 8.79 4.02 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 66 L 8.23 4.15 0.00 1.75 1.72 0.71 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.93 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 68 K 8.14 4.14 0.00 1.95 1.92 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.57 7.81 69 S 8.36 4.34 0.00 4.07 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 70 G 7.91 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 0.00 0.00 0.00 71 K 7.83 3.80 0.00 0.79 1.19 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 1.37 7.81 72 Y 7.36 4.76 0.00 2.94 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 73 H 9.16 4.81 0.00 2.84 3.46 0.00 5.89 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 74 A 7.91 4.98 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 75 I 8.83 4.90 1.79 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 1.28 1.46 0.78 0.00 0.00 76 V 8.83 4.62 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 0.98 0.00 0.00 0.83 0.00 0.00 77 C 9.08 5.12 0.00 2.69 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.09 5.52 0.00 1.39 1.40 0.79 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.06 4.33 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 0.00 80 A 8.55 5.19 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 81 V 9.13 4.27 1.96 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 0.74 0.00 0.00 0.87 0.00 0.00 82 V 8.45 4.26 2.32 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 0.76 0.00 0.00 1.06 0.00 0.00 83 K 8.51 3.54 0.00 0.79 1.34 0.00 0.92 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.09 0.67 7.81 84 G 8.54 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 85 D 7.88 4.63 0.00 2.63 2.40 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 86 T 8.55 4.26 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 1.24 0.00 0.00 87 S 8.54 4.97 0.00 4.28 4.21 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 88 H 7.94 3.89 0.00 3.26 3.43 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 8.17 4.18 0.00 3.10 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 90 D 8.52 4.19 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 91 A 8.31 3.85 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 92 V 8.42 3.61 2.17 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 0.94 0.00 0.00 1.06 0.00 0.00 93 V 8.15 3.48 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 0.87 0.00 0.00 0.11 0.00 0.00 94 N 8.79 4.23 0.00 2.84 2.79 0.00 0.00 7.06 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 95 S 8.14 3.94 0.00 3.72 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 96 A 8.72 3.94 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 97 S 8.80 4.26 0.00 3.72 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 98 S 8.95 4.11 0.00 3.81 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 99 G 8.54 3.64 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 0.00 100 V 7.98 3.70 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 1.09 0.00 0.00 0.97 0.00 0.00 101 L 8.22 3.92 0.00 1.84 1.73 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.78 4.08 0.00 3.98 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 0.00 103 A 8.60 4.10 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 0.00 104 G 8.23 4.34 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 0.00 105 L 7.83 4.03 0.00 1.81 1.76 0.95 0.95 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 0.00 106 N 8.65 4.50 0.00 2.70 2.90 0.00 0.00 7.20 8.22 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 0.00 107 S 8.81 4.39 0.00 4.03 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.10 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.88 4.55 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 1.07 0.00 0.00 1.05 0.00 0.00 110 P 0.00 4.53 0.00 1.95 1.74 0.00 3.70 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 1.30 1.37 0.00 111 C 8.59 5.26 0.00 2.95 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 0.00 112 V 8.85 3.75 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 0.88 0.00 0.00 0.87 0.00 0.00 113 F 8.97 4.50 0.00 3.05 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 0.00 114 G 8.71 4.17 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 0.00 115 V 6.39 4.81 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 -0.89 0.00 0.00 0.73 0.00 0.00 116 L 8.90 4.41 0.00 1.63 1.66 0.94 0.29 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 0.00 117 T 7.94 5.35 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 1.27 0.00 0.00 118 C 8.17 4.27 0.00 2.97 3.10 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 0.00 0.00 0.00 119 D 9.00 4.52 0.00 2.67 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.54 4.71 0.00 2.88 2.91 0.00 0.00 6.77 7.80 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 0.00 121 M 8.85 3.96 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.61 0.00 122 D 8.23 4.37 0.00 2.74 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 0.00 123 Q 8.73 4.00 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 124 A 7.73 4.16 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 0.00 125 I 8.13 3.77 2.04 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.22 1.02 0.00 0.00 126 N 8.14 4.42 0.00 3.01 2.87 0.00 0.00 7.02 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 0.00 127 R 8.61 4.05 0.00 1.91 1.98 0.00 3.28 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 128 A 7.56 4.48 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 0.00 129 G 8.95 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 0.00 0.00 0.00 130 G 7.82 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 0.00 131 K 8.30 4.19 0.00 1.84 1.95 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.39 7.81 132 A 7.99 4.48 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.65 3.72 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 0.00 0.00 0.00 134 N 7.99 5.83 0.00 2.75 2.60 0.00 0.00 6.78 6.65 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 0.00 135 K 8.15 4.15 0.00 1.83 1.75 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.21 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.36 7.81 136 G 8.24 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 0.00 0.00 0.00 137 A 8.42 3.78 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 0.00 138 E 8.05 3.73 0.00 2.11 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 2.26 2.42 0.00 139 S 8.61 4.00 0.00 3.84 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 0.00 140 A 7.54 3.37 0.30 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 0.00 141 L 7.45 3.35 0.00 1.42 1.64 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 142 T 7.93 3.69 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 1.12 0.00 0.00 143 A 8.03 3.89 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 0.00 144 I 7.55 3.64 1.92 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.55 0.92 0.00 0.00 145 E 8.35 3.84 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 146 M 8.47 3.84 0.00 1.65 2.06 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 2.48 2.71 0.00 147 A 7.91 3.86 1.15 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 0.00 148 S 7.97 4.23 0.00 3.83 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.41 4.01 0.00 1.86 2.05 0.99 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 150 F 8.78 4.44 0.00 3.42 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 0.00 151 E 7.97 5.12 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 152 H 7.83 4.86 0.00 3.38 3.68 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 9.02 4.47 0.00 3.32 3.71 0.00 5.96 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 7.31 3.98 0.00 1.75 1.62 0.85 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 155 K 7.52 4.12 0.00 1.82 1.69 0.00 1.53 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.27 1.40 7.81