NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9893 8.3549 109.7376 45.1197 0.0000 176.7663 2 L 4.4402 8.7655 120.0777 50.2186 44.4348 174.5147 3 S 4.4442 9.6089 119.3764 57.9137 64.7432 174.7243 4 D 4.6547 8.7626 120.0426 57.2858 40.3400 179.4635 5 G 3.5595 7.8653 106.2302 47.7495 0.0000 175.4570 6 E 3.8606 8.0954 120.9565 58.9644 29.4682 179.1730 7 W 4.4398 8.0057 118.5972 60.2100 29.1891 178.4962 8 Q 4.0797 8.1326 118.9557 58.9439 28.5824 178.0063 9 L 4.0076 8.0497 120.2042 57.8259 41.7050 179.4592 10 V 3.7081 7.7802 117.9057 66.4022 31.3060 178.1825 11 L 4.2736 8.1518 116.7394 57.3069 41.7755 179.1682 12 N 4.5392 8.3343 117.0794 56.2131 38.6294 177.2439 13 V 3.5826 7.7059 119.2926 66.1193 31.6000 177.7897 14 W 4.0935 8.6288 127.8281 60.4058 30.1243 178.0435 15 G 3.7119 7.8242 104.8794 47.3147 0.0000 175.6761 16 K 3.9670 7.8840 120.7288 59.2209 32.0547 179.5009 17 V 2.7422 7.0060 117.8197 65.7884 31.4613 177.6418 18 E 3.9202 7.9869 117.5295 58.3414 28.9954 178.5815 19 A 4.3258 7.4400 119.9843 53.2444 20.1032 177.4944 20 D 4.6439 7.7572 116.7897 52.1830 42.3083 175.5693 21 V 3.4773 7.8482 123.6437 65.7937 32.1718 176.6776 22 A 4.0422 8.1138 120.1351 55.1584 18.1487 179.7817 23 G 3.5459 7.8052 104.9981 47.7183 0.0000 175.6426 24 H 4.1354 8.2732 119.1474 58.2444 28.7149 177.8870 25 G 3.6992 8.2034 107.8194 48.0770 0.0000 175.4126 26 Q 3.8523 8.2209 122.6872 58.7936 29.1147 178.1672 27 E 3.9227 8.0256 119.4147 59.2963 29.4160 179.7904 28 V 3.6155 7.9736 112.9553 64.1011 31.5661 178.5768 29 L 3.3872 7.7660 118.7125 57.6864 41.4013 179.4872 30 I 3.6062 7.3936 119.6063 64.3379 36.9927 178.4137 31 R 3.8221 8.2482 119.1728 59.2355 29.9150 178.6820 32 L 3.8335 7.5651 119.5688 58.3923 41.9895 179.1428 33 F 4.6374 7.9340 117.9660 60.3004 38.6550 177.4050 34 K 4.3275 8.1839 116.6033 57.8256 32.2020 178.7635 35 G 3.7721 7.6816 105.4790 46.2727 0.0000 174.2684 36 H 4.9931 8.0672 116.9935 52.2211 30.9536 171.7677 37 P 4.6338 0.0000 0.0000 64.7363 31.5441 177.3434 38 E 4.0882 8.3651 116.0798 59.8126 29.1783 179.2960 39 T 4.0555 7.9844 110.5977 64.3641 68.7213 176.4027 40 L 3.4674 7.9634 123.4816 57.9236 41.8798 178.6319 41 E 3.9019 7.7122 115.5581 58.5159 29.4513 178.5800 42 K 4.4765 7.8476 116.7619 56.4102 32.7209 176.6172 43 F 4.6594 8.7713 119.8495 55.3810 39.9078 175.4886 44 D 4.3826 8.7703 126.9875 57.4300 40.7956 179.6967 45 R 3.7094 7.7948 117.1783 58.4084 30.2020 176.5833 46 F 5.0895 8.4120 114.2326 56.5283 40.4943 176.7287 47 K 3.9876 7.6946 120.5754 59.4368 32.4696 178.1617 48 H 4.2538 8.1749 114.5263 57.8399 28.6612 175.3624 49 L 4.1221 7.5987 121.1125 54.4454 41.2434 176.7719 50 K 4.3974 9.0937 123.6869 56.5769 33.0269 176.6302 51 S 4.5989 7.4530 113.2761 55.7314 66.8391 174.3020 52 E 3.8643 8.7583 122.0091 59.6967 29.1851 178.3660 53 D 4.3902 8.0692 118.0810 57.6083 40.7278 178.6049 54 E 3.9995 7.6740 117.6559 59.5474 29.5894 179.1089 55 M 4.1469 8.5846 119.2468 58.3815 31.8991 178.8228 56 K 3.8953 10.0506 117.5760 59.0638 32.3528 178.0697 57 A 4.4330 7.8469 119.8710 52.9967 18.4967 177.3721 58 S 4.1175 7.6300 111.8932 58.6774 62.8573 174.4212 59 E 4.0085 8.7043 130.2408 59.6163 29.5347 179.0269 60 D 4.5353 8.1697 118.4781 57.0534 40.8977 178.3250 61 L 3.1992 7.8355 120.6792 57.7344 42.1032 179.0015 62 K 3.8755 7.7103 119.0411 59.4590 32.1893 179.0254 63 K 4.0486 8.1288 118.8888 59.6216 31.9705 178.9086 64 H 4.3958 8.3924 118.3770 59.1551 29.8965 177.5224 65 G 3.5626 8.2629 107.7405 47.8248 0.0000 175.1432 66 N 4.3175 8.0739 119.3202 56.5487 38.5709 176.9636 67 T 3.8626 7.8338 117.0448 66.6865 68.5442 176.4399 68 V 3.6380 7.7107 119.7976 66.3758 31.6025 178.1094 69 L 4.2107 7.9588 118.1735 57.6400 41.6037 179.5682 70 T 3.9753 8.4337 116.3200 66.5497 68.5324 176.4832 71 A 3.9813 7.7492 122.1366 55.1997 18.4129 179.5441 72 L 3.8859 8.2150 119.1482 57.9903 42.1644 179.3621 73 G 3.1250 8.2957 105.9952 47.1349 0.0000 176.0143 74 G 3.6413 7.7422 106.6541 47.2128 0.0000 175.9496 75 I 3.8311 7.1820 120.9201 64.4111 37.2374 178.1595 76 L 3.8759 7.6890 119.9562 57.9478 41.1787 179.7816 77 K 3.8074 7.4363 116.7847 59.2875 32.2377 178.8689 78 K 3.9162 7.9537 117.5849 56.2235 33.0182 176.5593 79 K 2.0000 7.8891 118.3099 56.2390 29.4807 175.4937 80 G 3.8577 7.3937 104.2505 45.7859 0.0000 172.4341 81 H 5.2714 7.5291 117.0769 54.7854 28.1304 174.9724 82 H 5.6804 7.3792 113.7851 54.9239 29.1977 175.4672 83 E 3.9480 8.2439 121.9865 60.4643 29.0893 179.2023 84 A 4.0733 7.9037 118.6116 55.0066 18.7990 178.9994 85 E 4.1210 8.0877 116.9516 59.3265 29.7771 178.8236 86 L 4.3189 8.4031 120.6272 57.8668 42.0193 178.9600 87 T 3.9019 7.7641 116.2006 66.2134 68.4870 174.4911 88 P 4.1856 0.0000 0.0000 65.8634 30.9873 178.0827 89 L 3.9887 7.9352 119.2450 58.1049 42.3237 178.7368 90 A 4.2097 8.2132 120.7416 55.0180 18.1626 179.6794 91 Q 4.0101 8.7777 117.5595 59.2593 28.8116 179.1160 92 S 3.9590 8.6111 115.6054 61.9440 62.4491 176.2194 93 H 4.1831 8.8683 119.9383 57.9357 28.1559 177.7056 94 A 3.3968 7.6395 121.8399 54.6142 18.6725 178.6263 95 T 3.7218 8.1289 105.6521 61.9260 69.8647 175.3225 96 K 4.2233 7.9913 122.3872 57.6568 33.8525 176.3906 97 H 4.4205 7.8300 113.0035 55.1961 29.9500 174.7461 98 K 3.6076 7.5421 117.4823 57.1248 28.7245 175.5240 99 I 4.2394 8.9580 119.2116 58.8744 38.6720 175.1785 100 P 4.5047 0.0000 0.0000 62.5366 31.9406 177.7325 101 V 3.5859 8.6954 114.1367 64.5949 31.5420 178.7347 102 K 3.0471 8.0900 118.7521 59.8367 31.7208 178.0857 103 Y 4.4349 8.0108 116.8013 60.8492 37.7004 178.1635 104 L 4.2301 8.9090 121.4865 57.4728 41.6249 178.9949 105 E 3.9734 7.8769 119.0665 59.1034 29.6549 178.5835 106 F 4.5809 7.7157 117.5607 60.9670 39.0565 177.6064 107 I 3.8751 8.0343 117.9349 63.7209 37.7085 178.0509 108 S 4.1854 8.0546 116.2862 61.4400 62.6573 176.1970 109 E 3.9812 8.5197 120.0935 59.7255 29.1874 178.8007 110 A 3.9625 8.1204 122.2451 54.7975 18.3637 179.6754 111 I 3.6478 7.9543 118.0494 64.5960 37.1364 178.7725 112 I 3.7596 7.8594 120.6212 64.3486 36.9610 178.1344 113 Q 4.0105 8.3022 119.2626 59.4083 28.6650 179.7799 114 V 3.5401 8.0710 119.0889 65.9597 31.4875 178.0878 115 L 3.8209 7.5975 118.7663 57.3434 41.0492 179.2130 116 Q 4.1771 7.8472 118.8381 59.4487 29.1791 178.0299 117 S 4.2086 7.7086 114.5463 61.8971 63.0431 176.7488 118 K 4.0617 7.8413 119.4977 58.0897 33.0032 177.0383 119 H 5.0417 8.2228 116.3468 53.6269 29.6140 172.8015 120 P 4.3513 0.0000 0.0000 65.9980 31.7417 179.2225 121 G 3.6306 8.2897 106.6652 48.4580 0.0000 173.8539 122 D 4.7031 7.7729 117.1404 54.3774 41.6935 176.5817 123 F 4.9469 7.7990 120.7368 55.9197 39.4027 174.2708 124 G 3.9010 7.5408 109.9158 43.6986 0.0000 170.5729 125 A 3.9026 8.5397 120.4836 55.6220 18.2962 179.7862 126 D 4.2482 7.8950 116.2650 57.0419 41.0556 178.7759 127 A 3.9203 7.6868 120.7785 55.1713 18.5345 179.0463 128 Q 3.2106 7.6107 117.0838 59.0377 28.7714 179.7017 129 G 3.6391 7.6876 105.3474 48.0340 0.0000 174.9443 130 A 3.8079 7.6656 123.2302 55.0823 18.4111 179.3072 131 M 3.9850 8.3585 116.1494 58.8785 32.3303 178.5322 132 S 4.1643 8.1557 113.2472 61.3176 62.5696 176.3110 133 K 3.9298 7.9425 120.6680 59.1493 31.8000 179.2000 134 A 3.8067 7.9507 121.2691 55.0864 18.2192 179.7086 135 L 4.1488 8.0973 117.4988 57.8671 41.6682 179.4870 136 E 4.0700 8.5542 118.9558 58.9984 29.3559 178.9018 137 L 3.9462 8.0379 120.5283 58.2486 42.2692 178.6698 138 F 4.0966 8.2992 120.3107 61.5524 39.2299 177.2540 139 R 3.5146 8.4663 117.8001 59.1312 29.8443 178.7059 140 N 4.2224 8.2647 116.3809 56.6355 38.6781 177.2807 141 D 4.3227 8.0110 120.0398 57.3275 40.7989 178.8433 142 M 3.6181 7.4258 118.7575 58.1624 31.9294 178.1219 143 A 3.6825 7.7405 120.9142 55.6279 18.3651 179.6997 144 A 4.0152 8.1020 118.3660 54.8691 18.4229 179.7162 145 K 3.9999 7.8290 118.0768 60.0518 32.1518 177.7235 146 Y 4.3789 8.3919 116.8271 61.0599 37.3421 178.3095 147 K 3.9906 8.6655 119.7561 60.3126 32.3023 179.0002 148 E 4.1307 7.8796 116.8024 58.5737 29.3855 177.9872 149 L 4.3971 7.6301 118.5482 54.2151 42.1640 176.7297 150 G 3.7244 7.2263 103.0057 46.5028 0.0000 173.9623 151 F 4.7563 8.8182 117.8581 57.0324 39.9631 178.0241 152 Q 3.2795 7.4306 123.4515 55.1699 26.0290 176.8553 153 G 3.6658 8.4822 109.3446 44.7283 0.0000 171.2555 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 G 8.35 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 2 L 8.77 4.44 0.00 0.62 0.84 0.58 -1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.61 4.44 0.00 3.99 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 4 D 8.76 4.65 0.00 2.76 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 5 G 7.87 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 6 E 8.10 3.86 0.00 1.88 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 0.00 2.28 2.32 0.00 7 W 8.01 4.44 0.00 3.52 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 8 Q 8.13 4.08 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 9 L 8.05 4.01 0.00 2.01 1.72 0.93 0.59 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 10 V 7.78 3.71 2.39 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 1.27 0.00 0.00 0.85 0.00 0.00 11 L 8.15 4.27 0.00 2.02 1.81 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.33 4.54 0.00 2.96 2.91 0.00 0.00 6.45 7.25 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 13 V 7.71 3.58 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 0.95 0.00 0.00 1.28 0.00 0.00 14 W 8.63 4.09 0.00 3.66 3.21 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 15 G 7.82 3.71 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 0.00 16 K 7.88 3.97 0.00 1.85 1.43 0.00 1.58 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.39 7.81 17 V 7.01 2.74 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 0.00 0.00 -0.14 0.00 0.00 0.13 0.00 0.00 18 E 7.99 3.92 0.00 1.93 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 2.39 2.39 0.00 19 A 7.44 4.33 1.25 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 0.00 0.00 20 D 7.76 4.64 0.00 2.70 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 21 V 7.85 3.48 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 1.08 0.00 0.00 0.92 0.00 0.00 22 A 8.11 4.04 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 23 G 7.81 3.55 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 24 H 8.27 4.14 0.00 3.35 3.21 0.00 5.84 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 25 G 8.20 3.70 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 0.00 0.00 0.00 26 Q 8.22 3.85 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 27 E 8.03 3.92 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.47 0.00 28 V 7.97 3.62 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 0.85 0.00 0.00 0.86 0.00 0.00 29 L 7.77 3.39 0.00 1.34 1.01 0.76 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.39 3.61 1.76 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 1.46 0.54 0.86 0.00 0.00 31 R 8.25 3.82 0.00 1.83 1.93 0.00 3.24 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 32 L 7.57 3.83 0.00 1.64 1.32 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.93 4.64 0.00 3.02 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 34 K 8.18 4.33 0.00 1.82 1.84 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.59 7.81 35 G 7.68 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.07 4.99 0.00 2.86 2.87 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.63 0.00 2.15 2.12 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 38 E 8.37 4.09 0.00 2.37 2.33 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 2.40 2.25 0.00 39 T 7.98 4.06 4.50 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 0.81 0.00 0.00 40 L 7.96 3.47 0.00 1.37 1.84 0.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.71 3.90 0.00 2.27 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 2.38 2.53 0.00 42 K 7.85 4.48 0.00 1.82 1.71 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.66 1.94 7.81 43 F 8.77 4.66 0.00 3.04 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 44 D 8.77 4.38 0.00 2.64 2.69 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 45 R 7.79 3.71 0.00 1.43 1.05 0.00 2.87 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.42 0.00 46 F 8.41 5.09 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 47 K 7.69 3.99 0.00 1.99 1.94 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.66 1.39 7.81 48 H 8.17 4.25 0.00 3.28 3.51 0.00 5.52 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.60 4.12 0.00 1.64 1.60 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.09 4.40 0.00 1.71 1.83 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.35 7.81 51 S 7.45 4.60 0.00 3.98 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 52 E 8.76 3.86 0.00 2.04 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 0.00 2.35 2.39 0.00 53 D 8.07 4.39 0.00 2.71 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 54 E 7.67 4.00 0.00 2.18 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 2.36 2.35 0.00 55 M 8.58 4.15 0.00 1.98 2.23 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.56 0.00 56 K 10.05 3.90 0.00 1.99 1.82 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.41 7.81 57 A 7.85 4.43 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 58 S 7.63 4.12 0.00 3.89 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.70 4.01 0.00 2.09 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 2.41 2.41 0.00 60 D 8.17 4.54 0.00 2.95 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 61 L 7.84 3.20 0.00 1.29 1.58 -0.15 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.71 3.88 0.00 1.84 2.00 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.61 7.81 63 K 8.13 4.05 0.00 1.95 1.91 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.63 7.81 64 H 8.39 4.40 0.00 3.66 3.48 0.00 5.79 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 65 G 8.26 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 66 N 8.07 4.32 0.00 2.92 3.08 0.00 0.00 7.25 6.73 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 67 T 7.83 3.86 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 1.28 0.00 0.00 68 V 7.71 3.64 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 1.13 0.00 0.00 0.95 0.00 0.00 69 L 7.96 4.21 0.00 1.83 1.91 0.86 0.90 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 70 T 8.43 3.98 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 1.26 0.00 0.00 71 A 7.75 3.98 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 72 L 8.21 3.89 0.00 1.53 1.61 0.11 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.30 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 0.00 0.00 0.00 74 G 7.74 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 75 I 7.18 3.83 1.90 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.77 0.87 0.00 0.00 76 L 7.69 3.88 0.00 1.00 1.46 0.10 1.07 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 77 K 7.44 3.81 0.00 1.85 1.79 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.49 7.81 78 K 7.95 3.92 0.00 1.81 1.77 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.64 1.84 7.81 79 K 7.89 2.00 0.00 0.79 0.74 0.00 1.26 0.00 0.00 1.31 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.01 0.97 7.81 80 G 7.39 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.53 5.27 0.00 3.18 3.27 0.00 5.60 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 82 H 7.38 5.68 0.00 3.30 3.41 0.00 5.67 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.24 3.95 0.00 2.08 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 0.00 2.42 2.48 0.00 84 A 7.90 4.07 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 85 E 8.09 4.12 0.00 2.09 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 2.38 2.42 0.00 86 L 8.40 4.32 0.00 1.87 1.82 0.79 0.80 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 87 T 7.76 3.90 4.27 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 1.25 0.00 0.00 88 P 0.00 4.19 0.00 2.31 2.36 0.00 3.75 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 2.12 2.07 0.00 89 L 7.94 3.99 0.00 1.85 1.86 1.02 1.20 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 90 A 8.21 4.21 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.78 4.01 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.62 0.00 92 S 8.61 3.96 0.00 3.97 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 93 H 8.87 4.18 0.00 3.54 3.60 0.00 5.80 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 94 A 7.64 3.40 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.13 3.72 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 1.39 0.00 0.00 96 K 7.99 4.22 0.00 1.52 1.72 0.00 1.48 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.18 1.26 7.81 97 H 7.83 4.42 0.00 3.02 3.11 0.00 5.91 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.54 3.61 0.00 1.78 1.69 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.12 1.44 7.81 99 I 8.96 4.24 2.06 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.91 1.16 0.00 0.00 100 P 0.00 4.50 0.00 1.85 1.92 0.00 3.27 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 0.49 1.33 0.00 101 V 8.70 3.59 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 0.78 0.00 0.00 0.88 0.00 0.00 102 K 8.09 3.05 0.00 1.60 1.69 0.00 1.72 0.00 0.00 1.80 0.00 0.00 3.31 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.69 1.39 7.81 103 Y 8.01 4.43 0.00 3.29 3.17 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 0.00 104 L 8.91 4.23 0.00 1.72 1.81 0.59 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.88 3.97 0.00 1.89 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 2.41 2.39 0.00 106 F 7.72 4.58 0.00 3.30 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 0.00 107 I 8.03 3.88 2.01 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 1.56 1.37 1.08 0.00 0.00 108 S 8.05 4.19 0.00 4.15 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 0.00 109 E 8.52 3.98 0.00 2.27 2.33 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 2.52 2.49 0.00 110 A 8.12 3.96 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 0.00 111 I 7.95 3.65 2.05 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 1.53 1.21 0.99 0.00 0.00 112 I 7.86 3.76 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.83 1.19 0.00 0.00 113 Q 8.30 4.01 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 114 V 8.07 3.54 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 0.96 0.00 0.00 0.99 0.00 0.00 115 L 7.60 3.82 0.00 1.18 0.13 0.69 0.66 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 0.00 116 Q 7.85 4.18 0.00 2.39 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 117 S 7.71 4.21 0.00 4.02 3.85 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 0.00 118 K 7.84 4.06 0.00 1.26 1.50 0.00 1.43 0.00 0.00 1.49 0.00 0.00 2.45 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.29 1.44 7.81 119 H 8.22 5.04 0.00 3.18 3.37 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.35 0.00 2.25 2.45 0.00 3.70 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 121 G 8.29 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.77 4.70 0.00 2.82 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.80 4.95 0.00 2.85 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 0.00 124 G 7.54 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 0.00 0.00 0.00 125 A 8.54 3.90 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 0.00 126 D 7.90 4.25 0.00 2.65 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 0.00 127 A 7.69 3.92 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 0.00 128 Q 7.61 3.21 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 1.80 1.62 0.00 129 G 7.69 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 0.00 130 A 7.67 3.81 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 0.00 131 M 8.36 3.98 0.00 2.35 2.39 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.82 0.00 132 S 8.16 4.16 0.00 3.97 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 0.00 133 K 7.94 3.93 0.00 1.92 1.68 0.00 1.55 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.49 7.81 134 A 7.95 3.81 1.19 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 0.00 135 L 8.10 4.15 0.00 1.78 1.81 0.99 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.55 4.07 0.00 2.00 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 2.34 2.61 0.00 137 L 8.04 3.95 0.00 1.90 1.98 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.30 4.10 0.00 3.18 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 0.00 139 R 8.47 3.51 0.00 1.98 1.87 0.00 3.15 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.96 0.00 140 N 8.26 4.22 0.00 2.95 2.84 0.00 0.00 7.07 8.93 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 0.00 141 D 8.01 4.32 0.00 2.71 2.69 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 0.00 142 M 7.43 3.62 0.00 1.25 1.52 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.80 0.00 143 A 7.74 3.68 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 0.00 144 A 8.10 4.02 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 0.00 145 K 7.83 4.00 0.00 2.06 1.90 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.56 7.81 146 Y 8.39 4.38 0.00 3.25 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 0.00 147 K 8.67 3.99 0.00 1.98 2.16 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.54 7.81 148 E 7.88 4.13 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 2.35 2.32 0.00 149 L 7.63 4.40 0.00 2.17 1.97 1.03 1.44 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 0.00 150 G 7.23 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 0.00 151 F 8.82 4.76 0.00 3.11 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 0.00 152 Q 7.43 3.28 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 153 G 8.48 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