NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.5975 8.3649 120.3121 53.3772 41.0284 174.7904 6 C 4.4905 8.0511 116.6461 58.2097 30.6774 173.5665 7 C 4.4435 8.4149 125.1135 55.1960 44.4030 173.4615 8 S 4.4916 8.4173 122.7928 57.9324 64.8183 174.4502 9 Y 3.8643 8.4763 122.8490 60.6986 38.5540 177.7353 10 E 4.0935 8.3202 119.1250 59.6347 29.6031 178.7791 11 D 4.3746 8.6612 119.0860 57.4213 40.7978 179.0160 12 R 3.7722 7.9379 118.3811 59.3489 29.5680 178.8490 13 R 3.8174 7.9042 118.1861 59.5331 29.9903 178.0676 14 E 4.0493 8.4797 118.5568 59.6878 29.5526 179.5912 15 I 3.9048 8.0160 119.6226 64.5310 37.0889 178.3849 16 R 4.1778 8.4870 118.3229 58.8927 30.0927 176.7853 17 H 4.7245 7.7979 115.7781 58.6788 30.9206 176.2593 18 I 3.8502 8.3021 122.0118 64.4938 36.9946 178.0670 19 W 4.4549 9.0606 129.1352 60.7715 30.5192 177.5632 20 D 4.5636 7.8994 116.0975 56.5584 40.4763 177.3295 21 D 4.5865 7.6764 117.2334 55.4678 41.9661 177.9438 22 V 3.7478 7.3066 111.5419 62.4257 32.7025 176.5330 23 W 4.1712 7.7392 128.6427 56.9312 30.1185 177.2825 24 S 4.2623 7.4183 114.5625 60.8769 63.5754 174.7149 25 S 4.3244 7.5078 117.6945 57.4313 63.5620 173.6358 26 S 4.6195 8.6040 115.4145 58.2374 63.2763 173.4527 27 F 4.5369 7.5007 118.7270 56.2859 41.0030 175.1524 28 T 3.7667 9.2255 116.5602 66.2337 68.3637 177.5307 29 D 3.9284 6.9318 120.3315 55.1309 41.7868 178.4274 30 R 3.7805 7.4123 118.0793 58.9910 30.0516 178.4445 31 R 3.7158 7.5867 114.9696 59.9436 29.1324 178.1974 32 V 3.4905 7.7992 118.2075 65.5971 31.4228 177.4326 33 A 4.0051 8.0511 119.7737 55.6321 18.1988 179.6843 34 I 3.5231 7.6724 117.8430 64.5343 37.2854 178.6266 35 V 3.4704 8.0769 119.1879 66.3105 31.1912 177.8132 36 R 3.9378 8.6078 118.4810 59.3024 29.7782 178.0748 37 A 3.9070 8.2511 121.0115 55.3147 18.6224 179.7518 38 V 3.2404 7.5459 116.5725 66.0930 31.5861 178.2550 39 F 3.6489 7.7322 117.4206 60.5420 38.6792 177.2479 40 D 4.6539 8.3946 118.8026 57.6050 40.4570 178.4262 41 D 4.4375 7.7816 117.5958 56.5144 41.2106 178.0945 42 L 4.0017 7.3507 120.8069 58.0877 41.8748 178.6349 43 F 4.9087 8.4445 118.1462 60.3293 38.6739 177.5701 44 K 4.1634 8.3036 118.3421 58.8027 32.0309 177.5766 45 H 4.7052 7.8615 114.6531 56.1540 31.6847 174.6053 46 Y 4.9164 8.8111 117.4309 54.6331 38.2710 174.1617 47 P 4.5926 0.0000 0.0000 65.3761 31.4624 178.4556 48 T 3.9514 8.2753 109.3520 65.0947 68.4688 176.0191 49 S 3.7553 8.2252 117.0975 60.6695 62.6021 176.0971 50 K 2.9304 7.8513 122.3573 59.4621 31.8996 177.8678 51 A 3.9044 7.5031 119.0850 55.5949 17.9883 179.3380 52 L 3.8126 7.7008 116.2505 57.1408 41.8193 178.1281 53 F 4.7757 8.0395 116.7035 57.4661 39.5332 177.8413 54 E 4.0098 8.0117 123.3679 59.1002 28.8786 178.7906 55 R 3.9390 7.9932 117.8950 58.5688 30.1926 177.6708 56 V 4.2025 7.2557 108.8892 59.7083 33.7272 175.3984 57 K 3.7045 7.9726 118.3698 57.2500 28.8486 176.8622 58 I 2.6044 7.1592 111.6291 62.5197 38.4024 177.8535 59 D 4.3426 7.8065 119.6962 55.0732 39.7456 176.3672 60 E 4.5505 7.4239 120.5989 52.7926 29.3266 174.1255 61 P 4.2670 0.0000 0.0000 65.9969 31.3008 178.1620 62 E 4.4442 8.2195 115.3503 55.6449 29.6391 177.4944 63 S 4.1822 8.2593 115.8997 62.2196 63.0602 174.6240 64 G 4.2847 8.6190 109.8758 45.5881 0.0000 175.6147 65 E 3.9974 8.2954 118.8853 58.6647 29.3372 178.8566 66 F 4.4059 8.8093 121.0436 60.6968 39.7791 177.4874 67 K 3.6182 8.2438 117.9116 59.6339 31.8300 178.7797 68 S 4.1206 8.1862 114.3123 62.2078 62.5194 175.6513 69 H 4.0823 7.7387 121.1842 58.9259 29.5476 176.7498 70 L 3.8168 7.7856 120.5500 57.9657 41.4865 179.7931 71 V 3.6636 7.7976 117.6362 66.3781 31.3725 178.0298 72 R 3.8779 8.1353 117.7011 59.3799 29.8883 179.2159 73 V 3.6677 8.1404 117.6510 66.3463 31.6117 177.3105 74 A 4.2802 8.7435 120.5708 56.0018 18.2588 179.0299 75 N 4.3769 9.8768 114.7944 56.6273 38.6500 177.9871 76 G 3.8072 8.5119 107.2348 47.4077 0.0000 175.7050 77 L 3.8087 7.8986 122.6570 57.7042 42.1519 178.5100 78 K 3.3056 7.9778 120.0707 59.5754 31.7117 178.0727 79 L 3.8548 7.9068 119.0365 58.4488 42.0747 178.5685 80 L 3.9386 7.4251 118.7770 57.5333 41.4945 179.1161 81 I 3.4532 7.4211 119.2432 64.6899 36.8856 178.3111 82 N 4.7988 7.9156 112.2474 53.6234 38.2492 175.3976 83 L 4.6249 8.0103 122.4779 54.4035 43.7640 178.0331 84 L 3.7777 7.7097 117.7603 57.3512 41.5910 177.1825 85 D 4.6319 7.8329 115.8729 54.2602 41.9705 175.7989 86 D 4.8251 8.0510 120.0353 59.4076 41.1958 181.6683 87 T 3.0920 6.6256 106.3778 61.8499 71.6877 173.2148 88 L 3.8935 7.6868 119.6954 57.2865 41.9751 180.0246 89 V 3.6559 8.1404 118.0759 65.6842 31.5176 177.6349 90 L 3.8675 7.8618 119.6763 58.4569 41.6796 178.5432 91 Q 4.0856 8.3613 118.1334 59.0705 28.9990 178.2283 92 S 4.2291 7.5675 112.7330 61.5018 62.6064 175.5420 93 H 4.0769 8.4456 121.0414 59.1545 29.2561 176.9136 94 L 3.9461 8.2894 122.1479 57.6975 42.0664 179.0754 95 G 3.6031 8.2343 106.1257 48.1610 0.0000 175.0034 96 H 3.9808 8.3123 121.1197 59.0361 29.4089 176.6359 97 L 3.9959 7.9400 121.0273 57.4289 42.0228 178.6721 98 A 4.0735 8.4400 121.5388 55.3372 18.3773 179.0282 99 D 3.9980 8.1463 116.6956 57.9172 40.6581 178.9639 100 Q 4.1848 7.8283 115.9910 57.8047 28.9183 176.9251 101 H 4.8067 9.0165 117.3485 56.0641 30.1465 176.4993 102 I 3.8023 7.5930 120.9112 64.2411 37.1922 176.8820 103 Q 4.1389 7.8226 116.2627 56.7878 28.5649 176.6958 104 R 4.2772 7.4012 119.4665 53.8109 29.1529 174.8134 105 K 3.8985 8.2876 123.6171 57.7235 32.4449 176.7781 106 G 4.0253 9.0455 113.2656 45.3309 0.0000 173.4365 107 V 4.2579 7.4616 120.4066 62.0663 31.0430 176.2710 108 T 4.4033 8.8081 118.5678 60.7777 70.9678 175.3228 109 K 4.0960 8.3784 121.6315 59.0772 32.1089 178.6485 110 E 3.9216 7.9863 119.5093 59.6332 29.7915 177.8335 111 Y 4.2046 8.0876 117.0860 61.4193 37.9209 179.2313 112 F 3.8991 8.1179 118.6407 60.6697 38.9848 177.7054 113 R 4.1321 7.9515 117.6290 59.2935 29.6871 178.7454 114 G 3.1984 8.1039 105.9789 47.4886 0.0000 175.6418 115 I 3.8729 7.8869 120.8296 63.1076 37.8843 178.2840 116 G 3.9500 8.3809 107.1842 47.9857 0.0000 175.6125 117 E 4.0870 7.9252 119.8535 59.2019 29.6849 178.5924 118 A 4.1367 7.8278 121.7675 54.7815 18.2397 179.3839 119 F 3.6925 8.1722 114.2221 60.6091 39.0307 177.8674 120 A 4.2162 7.7575 117.4080 54.1749 18.2074 178.2910 121 R 4.3583 7.8814 115.8438 56.9406 31.8481 177.4965 122 V 3.6693 7.2989 117.6926 64.9894 31.8174 177.3812 123 L 3.5210 7.6106 118.8604 57.2172 41.3125 177.8523 124 P 4.2286 0.0000 0.0000 64.7857 31.1163 176.8035 125 Q 4.3992 8.2414 117.1760 56.7281 30.2737 177.2342 126 V 3.9268 7.4198 111.8551 61.3722 32.2363 175.8343 127 L 4.5115 6.7494 116.7159 54.4812 42.9531 175.1193 128 S 4.5587 8.3466 116.4069 58.1949 64.9490 173.1938 129 C 3.7712 8.4301 115.5849 61.1178 24.5687 174.0718 130 F 4.8675 8.0278 120.6982 56.8540 40.9287 176.2311 131 N 4.5481 8.3036 129.8647 52.3325 35.4790 175.2968 132 V 3.1175 6.9663 125.9844 64.7654 32.0512 178.0437 133 D 4.2644 8.0469 119.0652 56.8551 40.9153 178.1681 134 A 3.9433 7.9764 120.5653 55.3117 18.2394 178.9566 135 W 3.9725 8.2061 126.4805 60.5020 30.7576 177.4865 136 N 4.4091 9.0419 116.5647 57.0158 38.3011 177.0575 137 R 3.8546 8.6138 119.1076 60.0006 30.2137 178.5575 138 C 4.2714 8.1742 115.5242 59.5118 38.4127 176.1168 139 F 3.5778 8.1900 123.2644 61.0889 38.8678 176.9557 140 H 4.0029 8.4249 116.0033 58.8480 28.0530 177.5385 141 R 3.8256 7.7096 119.9760 59.4653 29.6600 178.5413 142 L 3.7625 7.4017 118.0782 57.5830 41.4989 179.5840 143 V 3.3420 7.6622 118.1896 65.9074 31.2680 177.4359 144 A 3.8528 7.9994 119.3411 55.6857 18.2455 179.4068 145 R 3.8620 7.3245 114.5696 59.3476 30.1372 178.6327 146 I 3.7104 7.1533 118.8008 63.1289 37.6783 177.8074 147 A 4.4047 7.4194 120.6689 51.2896 19.2438 177.7214 148 K 3.9374 7.8520 125.3290 59.6372 32.8447 176.9309 149 D 4.8828 7.7037 114.9298 53.8948 41.5908 176.9501 150 L 4.0744 7.8087 121.2247 57.0409 41.9376 175.2282 151 P 4.4412 0.0000 0.0000 63.1341 30.8443 175.5494 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 5 D 8.36 4.60 0.00 2.78 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 6 C 8.05 4.49 0.00 3.01 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 7 C 8.41 4.44 0.00 2.84 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.42 4.49 0.00 4.19 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 9 Y 8.48 3.86 0.00 3.06 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.32 4.09 0.00 2.14 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 2.44 2.54 0.00 11 D 8.66 4.37 0.00 2.76 2.68 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 12 R 7.94 3.77 0.00 1.74 1.70 0.00 2.93 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 13 R 7.90 3.82 0.00 1.93 2.21 0.00 3.18 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 14 E 8.48 4.05 0.00 2.16 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 2.49 2.52 0.00 15 I 8.02 3.90 2.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.71 0.97 0.00 0.00 16 R 8.49 4.18 0.00 1.91 2.13 0.00 3.26 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 17 H 7.80 4.72 0.00 3.39 3.58 0.00 5.87 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 18 I 8.30 3.85 2.34 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.42 1.36 0.00 0.00 19 W 9.06 4.45 0.00 3.55 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 20 D 7.90 4.56 0.00 2.89 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 21 D 7.68 4.59 0.00 2.65 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 22 V 7.31 3.75 1.77 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 0.68 0.00 0.00 -0.13 0.00 0.00 23 W 7.74 4.17 0.00 2.25 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 24 S 7.42 4.26 0.00 3.97 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 25 S 7.51 4.32 0.00 4.01 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.60 4.62 0.00 3.94 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 27 F 7.50 4.54 0.00 2.89 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 9.23 3.77 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 1.15 0.00 0.00 29 D 6.93 3.93 0.00 2.76 2.68 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 30 R 7.41 3.78 0.00 1.74 1.65 0.00 3.06 0.00 0.00 3.28 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 31 R 7.59 3.72 0.00 1.72 1.33 0.00 2.81 0.00 0.00 2.86 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 32 V 7.80 3.49 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.89 0.00 0.00 33 A 8.05 4.01 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 34 I 7.67 3.52 1.96 0.00 0.00 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 1.29 0.62 0.83 0.00 0.00 35 V 8.08 3.47 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 1.18 0.00 0.00 1.21 0.00 0.00 36 R 8.61 3.94 0.00 1.94 2.06 0.00 3.21 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.77 0.00 37 A 8.25 3.91 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 38 V 7.55 3.24 1.62 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 -0.23 0.00 0.00 0.22 0.00 0.00 39 F 7.73 3.65 0.00 3.05 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 0.00 0.00 0.00 0.00 40 D 8.39 4.65 0.00 2.80 2.78 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 41 D 7.78 4.44 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 42 L 7.35 4.00 0.00 1.58 1.44 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.44 4.91 0.00 3.12 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 44 K 8.30 4.16 0.00 1.99 2.00 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.52 7.81 45 H 7.86 4.71 0.00 3.62 3.31 0.00 5.84 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 46 Y 8.81 4.92 0.00 3.32 3.30 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 47 P 0.00 4.59 0.00 2.32 2.49 0.00 4.06 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 2.18 1.97 0.00 48 T 8.28 3.95 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 49 S 8.23 3.76 0.00 3.99 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 50 K 7.85 2.93 0.00 1.59 1.68 0.00 1.41 0.00 0.00 1.44 0.00 0.00 2.73 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.00 0.33 7.81 51 A 7.50 3.90 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 52 L 7.70 3.81 0.00 1.30 1.14 0.70 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.04 4.78 0.00 2.98 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 54 E 8.01 4.01 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 55 R 7.99 3.94 0.00 1.75 1.95 0.00 3.38 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 56 V 7.26 4.20 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 0.84 0.00 0.00 1.20 0.00 0.00 57 K 7.97 3.70 0.00 2.02 1.83 0.00 1.68 0.00 0.00 1.93 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.37 7.81 58 I 7.16 2.60 1.26 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.25 0.50 0.00 0.00 59 D 7.81 4.34 0.00 2.72 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 60 E 7.42 4.55 0.00 2.02 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 2.18 2.15 0.00 61 P 0.00 4.27 0.00 2.24 2.24 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 62 E 8.22 4.44 0.00 2.01 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 2.33 2.26 0.00 63 S 8.26 4.18 0.00 3.98 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 64 G 8.62 4.28 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 0.00 65 E 8.30 4.00 0.00 2.24 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 2.45 2.35 0.00 66 F 8.81 4.41 0.00 3.30 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 67 K 8.24 3.62 0.00 1.84 1.83 0.00 1.74 0.00 0.00 2.04 0.00 0.00 3.20 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.57 7.81 68 S 8.19 4.12 0.00 4.07 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 0.00 69 H 7.74 4.08 0.00 3.24 3.48 0.00 5.82 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 70 L 7.79 3.82 0.00 1.72 1.67 0.52 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.80 3.66 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 1.12 0.00 0.00 0.96 0.00 0.00 72 R 8.14 3.88 0.00 2.14 2.06 0.00 3.24 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 73 V 8.14 3.67 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 nan 0.00 0.00 1.03 0.00 0.00 74 A 8.74 4.28 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 0.00 0.00 0.00 0.00 0.00 75 N 9.88 4.38 0.00 3.09 3.03 0.00 0.00 7.05 5.12 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 76 G 8.51 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 77 L 7.90 3.81 0.00 1.84 1.95 0.67 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.98 3.31 0.00 0.79 1.41 0.00 1.49 0.00 0.00 0.96 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.02 1.29 7.81 79 L 7.91 3.85 0.00 1.69 1.79 0.64 1.01 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 80 L 7.43 3.94 0.00 1.65 1.44 0.75 0.81 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 81 I 7.42 3.45 1.28 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.08 0.67 0.00 0.00 82 N 7.92 4.80 0.00 2.74 2.78 0.00 0.00 6.82 7.52 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 83 L 8.01 4.62 0.00 1.90 1.49 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.71 3.78 0.00 1.59 1.56 0.75 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.83 4.63 0.00 2.56 2.63 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 86 D 8.05 4.83 0.00 2.71 2.58 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 87 T 6.63 3.09 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 1.18 0.00 0.00 88 L 7.69 3.89 0.00 1.69 1.78 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.14 3.66 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 1.05 0.00 0.00 0.91 0.00 0.00 90 L 7.86 3.87 0.00 1.85 1.83 0.83 0.57 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 91 Q 8.36 4.09 0.00 2.07 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 92 S 7.57 4.23 0.00 3.96 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.45 4.08 0.00 3.25 3.28 0.00 5.84 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.29 3.95 0.00 1.78 1.60 0.79 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.23 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.31 3.98 0.00 3.24 3.47 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 97 L 7.94 4.00 0.00 1.61 1.73 0.97 0.96 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 98 A 8.44 4.07 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 99 D 8.15 4.00 0.00 2.79 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 7.83 4.18 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 101 H 9.02 4.81 0.00 3.31 3.45 0.00 5.81 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 0.00 102 I 7.59 3.80 1.86 0.00 0.00 0.82 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 0.63 0.90 0.00 0.00 103 Q 7.82 4.14 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 104 R 7.40 4.28 0.00 1.97 1.84 0.00 3.23 0.00 0.00 3.06 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 105 K 8.29 3.90 0.00 1.71 1.73 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 106 G 9.05 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 0.00 0.00 0.00 107 V 7.46 4.26 2.35 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 1.21 0.00 0.00 1.05 0.00 0.00 108 T 8.81 4.40 4.09 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 0.99 0.00 0.00 109 K 8.38 4.10 0.00 1.91 1.82 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.48 1.57 7.81 110 E 7.99 3.92 0.00 2.04 1.70 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 2.43 2.54 0.00 111 Y 8.09 4.20 0.00 3.17 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 0.00 112 F 8.12 3.90 0.00 3.39 3.14 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 0.00 0.00 0.00 113 R 7.95 4.13 0.00 1.92 2.15 0.00 3.39 0.00 0.00 3.29 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 114 G 8.10 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 0.00 0.00 0.00 115 I 7.89 3.87 1.77 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.96 1.05 0.00 0.00 116 G 8.38 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 7.93 4.09 0.00 2.11 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 2.48 2.73 0.00 118 A 7.83 4.14 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 F 8.17 3.69 0.00 3.00 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 0.00 120 A 7.76 4.22 1.52 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 0.00 0.00 121 R 7.88 4.36 0.00 1.98 1.88 0.00 3.28 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 122 V 7.30 3.67 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 0.82 0.00 0.00 0.76 0.00 0.00 123 L 7.61 3.52 0.00 0.55 0.18 -0.34 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.23 0.00 2.23 2.36 0.00 3.48 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.29 0.00 125 Q 8.24 4.40 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 126 V 7.42 3.93 1.93 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 0.64 0.00 0.00 0.79 0.00 0.00 127 L 6.75 4.51 0.00 1.78 1.50 0.93 0.35 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 0.00 128 S 8.35 4.56 0.00 3.89 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 0.00 129 C 8.43 3.77 0.00 3.20 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 0.00 130 F 8.03 4.87 0.00 2.84 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 0.00 131 N 8.30 4.55 0.00 2.77 2.58 0.00 0.00 6.89 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 0.00 132 V 6.97 3.12 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 0.84 0.00 0.00 1.05 0.00 0.00 133 D 8.05 4.26 0.00 2.72 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 A 7.98 3.94 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 0.00 135 W 8.21 3.97 0.00 3.31 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 0.00 136 N 9.04 4.41 0.00 3.12 2.93 0.00 0.00 7.15 7.64 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 0.00 137 R 8.61 3.85 0.00 1.93 1.91 0.00 3.23 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 138 C 8.17 4.27 0.00 2.77 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 0.00 139 F 8.19 3.58 0.00 2.12 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 0.00 140 H 8.42 4.00 0.00 3.49 3.33 0.00 5.88 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 R 7.71 3.83 0.00 1.78 1.80 0.00 3.15 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 142 L 7.40 3.76 0.00 1.36 1.32 0.53 0.91 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 0.00 143 V 7.66 3.34 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 1.14 0.00 0.00 0.51 0.00 0.00 144 A 8.00 3.85 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 0.00 145 R 7.32 3.86 0.00 1.72 1.85 0.00 3.23 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 146 I 7.15 3.71 1.73 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 1.33 0.76 0.65 0.00 0.00 147 A 7.42 4.40 0.61 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 0.00 148 K 7.85 3.94 0.00 1.75 1.76 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.40 7.81 149 D 7.70 4.88 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.81 4.07 0.00 1.45 1.64 0.60 1.18 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 0.00 151 P 0.00 4.44 0.00 2.15 2.05 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00