NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2443 8.3144 119.9991 55.9590 34.0239 174.9611 2 E 3.6600 8.6547 120.2566 55.4641 29.9242 175.5565 3 T 4.1938 8.7730 118.4374 61.4554 72.0804 175.0074 4 A 4.0486 8.5390 123.3842 54.9781 18.2816 180.1410 5 A 4.0784 7.9744 119.0534 55.2003 18.5185 179.4118 6 A 3.9584 8.2403 119.5133 55.3689 18.5543 179.6183 7 K 4.1069 8.3720 119.7891 58.9259 32.1846 178.3309 8 F 4.0817 8.3624 120.8927 61.6200 39.3095 177.1006 9 E 4.0585 8.2409 117.7863 59.4340 29.0783 179.3433 10 R 3.8804 8.0644 117.7800 59.6288 30.2498 178.2417 11 Q 3.9595 8.2842 116.9048 58.0401 29.1458 176.3530 12 H 4.5764 8.0672 114.3582 54.3551 31.2532 173.7204 13 M 4.8088 7.8125 118.4335 53.7655 33.5464 176.6160 14 D 4.8327 9.0981 121.7457 53.4083 41.2077 175.9460 15 S 4.5111 8.2877 115.0957 59.9738 63.5910 175.6338 16 S 4.4724 8.0216 114.3023 59.1907 63.4476 174.2900 17 T 4.7348 7.5342 110.6056 59.7828 71.3620 174.1143 18 S 4.1751 8.6386 117.3818 60.2938 63.6856 173.2071 19 A 3.5557 6.8198 121.1805 51.2250 21.3143 174.8679 20 A 3.5588 8.6044 123.6080 52.0086 18.5295 178.1396 21 S 4.4718 8.6291 117.6563 59.2329 64.3550 174.0214 22 S 4.7121 7.6102 114.6251 56.3860 65.6922 174.9070 23 S 4.2155 8.6549 115.5410 61.3404 62.7971 174.9514 24 N 4.6564 7.9262 115.8457 53.7843 38.8572 175.9261 25 Y 4.0061 8.2308 120.9793 61.2728 38.7702 177.6517 26 C 4.2526 8.2406 116.8262 60.0421 37.4126 175.7443 27 N 4.3983 8.2777 117.5160 56.6089 38.0829 177.3172 28 Q 3.9091 8.1286 119.1553 59.2367 28.8246 178.7443 29 M 3.6986 7.8967 121.2465 57.8652 31.7175 178.6967 30 M 3.9958 8.2810 119.1605 58.2326 32.0495 178.8271 31 K 4.0281 7.9373 121.0525 59.0460 32.2018 179.1501 32 S 4.1068 8.3173 114.3047 61.1586 63.1719 175.6171 33 R 4.3005 7.9855 117.6020 55.9467 29.6906 176.1093 34 N 4.3767 7.8923 114.1219 54.5436 36.3220 174.6813 35 L 4.4722 8.2157 117.0505 55.2264 41.3087 177.9315 36 T 5.5747 7.5499 106.2544 59.6814 70.0036 175.1624 37 K 3.9004 8.4068 123.4908 59.9326 32.1305 176.9418 38 D 4.7091 7.9599 116.2101 55.7013 42.1314 176.5370 39 R 3.8670 7.2598 112.6170 55.1888 31.5792 174.7885 40 C 4.9139 8.6505 116.8212 55.6815 39.3191 173.6208 41 K 4.0828 8.3404 127.1759 56.0592 32.3109 174.9222 42 P 4.7213 0.0000 0.0000 65.2237 32.2652 176.5508 43 V 5.0394 7.5004 116.2083 61.4742 35.1816 174.2578 44 N 4.5359 8.7368 121.5071 52.9735 42.7692 173.1064 45 T 4.8493 7.8700 121.7927 61.6117 71.9457 172.8778 46 F 4.9176 8.9830 124.0081 55.5907 42.5000 174.3385 47 V 4.5657 9.0077 123.6680 61.3162 33.2535 175.4465 48 H 5.6214 8.9187 128.9964 53.5429 26.3252 173.3728 49 E 4.7464 7.6778 118.8514 53.5539 34.6012 175.9940 50 S 4.4284 8.3648 114.7713 57.8932 65.1806 174.8356 51 L 3.9532 7.8558 121.8461 58.5567 41.9090 179.1489 52 A 4.2891 8.0039 121.3525 54.8479 18.0198 179.1647 53 D 4.3591 7.9256 116.1380 57.3076 41.1313 179.0732 54 V 3.7831 7.7345 118.3013 66.2584 31.1812 178.2093 55 Q 3.9192 8.6663 117.7860 58.7757 28.4826 178.5705 56 A 4.1021 8.0957 121.2564 54.2349 18.2867 179.5961 57 V 3.6398 7.6502 117.2219 65.9329 31.3217 176.8864 58 C 3.7079 7.5243 115.0201 58.0406 39.8669 174.0638 59 S 4.6195 7.4746 114.4238 57.8656 64.0675 174.7314 60 Q 4.2178 7.5350 121.5983 55.3396 30.6938 176.8295 61 K 4.2168 7.8525 129.6117 56.9926 33.0009 176.4461 62 N 4.5731 8.9080 127.3123 53.8966 40.0131 174.2492 63 V 4.3792 7.9435 121.9747 60.6694 35.1546 172.3589 64 A 4.2457 8.4710 126.2595 51.8061 19.2475 178.4367 65 C 4.5916 9.1418 120.6859 56.4558 41.1371 175.0540 66 K 3.7758 9.1220 122.0368 59.9881 31.5435 178.3948 67 N 4.4843 7.9963 111.8378 53.5159 37.4149 175.0007 68 G 4.0354 8.4530 108.3433 45.7735 0.0000 174.6341 69 Q 4.0540 8.8798 119.1637 56.7490 29.1317 176.9965 70 T 4.4752 8.3876 110.3754 61.6704 69.2461 174.3011 71 N 5.0219 7.7682 119.2081 53.6233 38.4641 174.9701 72 C 5.2437 7.3818 115.0690 56.9727 42.6390 172.8279 73 Y 5.0858 8.5627 117.9487 56.5816 42.4721 173.7138 74 Q 5.1048 9.0596 125.7915 54.1844 30.9485 174.9527 75 S 4.3215 9.1065 122.3793 58.6996 62.8807 174.3116 76 Y 4.4522 8.9956 121.0884 60.8644 37.9332 176.4964 77 S 5.0019 7.8441 113.6981 56.7834 65.2374 174.5228 78 T 4.0851 8.2670 111.8266 62.2508 69.7992 173.4597 79 M 5.0491 8.5563 120.8391 53.6728 37.2122 174.3589 80 S 4.9729 9.3268 117.6347 58.1884 63.8029 173.0851 81 I 5.2466 9.1557 119.9904 59.6101 41.7794 173.9802 82 T 5.0195 9.0428 119.4444 61.8683 71.9269 172.4777 83 D 5.0379 9.5872 127.0555 53.1398 43.2638 174.2175 84 C 5.7609 9.4139 123.4720 55.3316 40.2315 173.2172 85 R 5.3951 8.9007 121.5266 54.1175 33.8833 174.7329 86 E 4.0389 8.7798 123.5197 56.9510 30.4696 177.3441 87 T 4.3164 8.4868 113.5115 60.2885 70.2842 176.1557 88 G 3.6362 8.5147 110.6882 48.4410 0.0000 174.6671 89 S 4.4166 7.3806 112.6945 58.3589 63.3157 174.4316 90 S 3.9732 7.4848 116.2380 58.3902 62.4845 173.6819 91 K 4.3466 8.8653 128.6283 55.1808 34.5919 174.2447 92 Y 4.2788 8.8088 127.8872 57.7819 38.9175 174.3228 93 P 3.1041 0.0000 0.0000 63.3312 32.3946 176.8201 94 N 4.6144 7.9222 120.0990 52.0942 36.9610 173.3117 95 C 4.6714 7.8705 116.5291 56.8266 42.6402 173.4426 96 A 5.1584 8.7234 125.4804 50.5324 22.3376 174.4494 97 Y 5.1147 9.4339 118.0888 56.0511 42.5522 174.8365 98 K 4.4338 9.3124 124.3656 55.9275 33.8406 175.3672 99 T 5.0293 8.5863 124.3114 62.7302 70.0324 174.2815 100 T 4.5949 8.7621 122.6786 61.8494 72.0286 172.9425 101 Q 4.8907 8.6650 127.4726 55.2994 30.8974 173.9869 102 A 4.4524 8.3085 124.6923 51.6301 23.7121 175.0194 103 N 6.0334 9.0398 116.0675 50.7814 40.8227 174.1744 104 K 4.6976 8.2371 121.9308 55.3377 36.9427 175.1644 105 H 4.9855 8.8634 117.4485 55.8863 30.0961 174.6390 106 I 4.9393 8.3298 113.8005 59.2645 40.9358 174.4799 107 I 5.4766 8.0861 123.7933 58.7190 40.4294 174.9526 108 V 4.7502 8.2108 118.9377 59.2787 36.2522 174.2932 109 A 4.9437 8.6379 124.8177 51.2525 20.3443 175.8819 110 C 5.1630 8.8422 119.3734 55.3626 40.2560 173.2670 111 E 4.7829 8.6542 119.1318 56.5537 34.4111 176.4182 112 G 4.0052 9.3601 109.6823 44.8313 0.0000 171.6935 113 N 5.0612 8.2613 116.3299 50.9203 40.5013 172.6228 114 P 4.2915 0.0000 0.0000 62.7329 32.0011 176.0429 115 Y 4.9276 8.3187 122.9503 56.7641 38.9178 174.6037 116 V 4.4360 8.2215 119.5508 58.2706 36.4555 173.6114 117 P 4.5230 0.0000 0.0000 63.0742 31.0888 176.9490 118 V 4.6502 8.6885 120.1033 61.4782 33.4436 174.7996 119 H 5.0620 7.9847 120.2328 55.0680 33.4733 171.6949 120 F 4.5918 8.6755 127.5161 57.1805 39.5100 174.5977 121 D 4.4591 8.3827 127.1538 56.4371 41.7123 175.8014 122 A 4.6507 6.6668 117.2134 51.2831 22.6859 174.6204 123 S 5.1645 8.7960 113.5186 56.7139 65.5555 174.7071 124 V 4.1526 8.9535 116.1536 61.6028 32.0064 175.3676 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 K 8.31 4.24 0.00 1.89 1.89 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.45 7.81 2 E 8.65 3.66 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 3 T 8.77 4.19 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 1.23 0.00 0.00 4 A 8.54 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 5 A 7.97 4.08 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 6 A 8.24 3.96 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 7 K 8.37 4.11 0.00 2.01 1.90 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.33 7.81 8 F 8.36 4.08 0.00 3.30 3.32 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 9 E 8.24 4.06 0.00 2.27 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 0.00 2.53 2.67 0.00 10 R 8.06 3.88 0.00 1.80 2.11 0.00 3.25 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 11 Q 8.28 3.96 0.00 1.71 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.47 0.00 0.00 0.00 0.00 0.00 2.24 2.48 0.00 12 H 8.07 4.58 0.00 1.79 2.62 0.00 5.61 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.81 4.81 0.00 1.99 2.21 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.75 0.00 14 D 9.10 4.83 0.00 2.65 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 0.00 0.00 0.00 0.00 15 S 8.29 4.51 0.00 3.93 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.02 4.47 0.00 4.02 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 17 T 7.53 4.73 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 1.28 0.00 0.00 18 S 8.64 4.18 0.00 3.96 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 19 A 6.82 3.56 1.05 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 0.00 0.00 20 A 8.60 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.63 4.47 0.00 3.98 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 22 S 7.61 4.71 0.00 3.99 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 23 S 8.65 4.22 0.00 4.03 4.07 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 24 N 7.93 4.66 0.00 2.85 2.88 0.00 0.00 6.44 7.36 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 25 Y 8.23 4.01 0.00 3.18 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 26 C 8.24 4.25 0.00 3.12 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 27 N 8.28 4.40 0.00 2.90 2.93 0.00 0.00 7.13 7.48 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 28 Q 8.13 3.91 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 29 M 7.90 3.70 0.00 0.53 1.15 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.39 0.00 30 M 8.28 4.00 0.00 1.58 1.79 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.41 0.00 31 K 7.94 4.03 0.00 1.86 1.90 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.29 7.81 32 S 8.32 4.11 0.00 3.94 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 33 R 7.99 4.30 0.00 1.98 2.12 0.00 3.55 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00 34 N 7.89 4.38 0.00 2.91 2.95 0.00 0.00 6.91 7.98 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 35 L 8.22 4.47 0.00 1.71 1.63 0.78 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.55 5.57 4.40 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 1.38 0.00 0.00 37 K 8.41 3.90 0.00 1.77 1.95 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.54 7.81 38 D 7.96 4.71 0.00 2.69 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 39 R 7.26 3.87 0.00 1.80 1.75 0.00 2.90 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 40 C 8.65 4.91 0.00 3.11 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 41 K 8.34 4.08 0.00 1.82 1.80 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.63 1.43 7.81 42 P 0.00 4.72 0.00 2.16 2.11 0.00 3.63 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 43 V 7.50 5.04 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 0.81 0.00 0.00 0.98 0.00 0.00 44 N 8.74 4.54 0.00 2.64 2.24 0.00 0.00 7.14 6.82 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 45 T 7.87 4.85 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 0.87 0.00 0.00 46 F 8.98 4.92 0.00 2.95 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 47 V 9.01 4.57 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 1.03 0.00 0.00 48 H 8.92 5.62 0.00 3.14 3.46 0.00 5.65 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.68 4.75 0.00 1.96 1.86 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 2.27 2.29 0.00 50 S 8.36 4.43 0.00 4.07 4.02 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 0.00 0.00 0.00 51 L 7.86 3.95 0.00 1.90 1.75 1.07 1.24 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 52 A 8.00 4.29 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.93 4.36 0.00 2.89 2.79 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 54 V 7.73 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 1.28 0.00 0.00 1.08 0.00 0.00 55 Q 8.67 3.92 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 56 A 8.10 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 57 V 7.65 3.64 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 1.10 0.00 0.00 0.95 0.00 0.00 58 C 7.52 3.71 0.00 2.73 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 59 S 7.47 4.62 0.00 3.91 3.80 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 0.00 0.00 0.00 60 Q 7.53 4.22 0.00 1.60 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.95 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 61 K 7.85 4.22 0.00 1.95 1.81 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.43 7.81 62 N 8.91 4.57 0.00 2.84 2.68 0.00 0.00 7.07 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 63 V 7.94 4.38 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 0.46 0.00 0.00 0.86 0.00 0.00 64 A 8.47 4.25 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 65 C 9.14 4.59 0.00 3.08 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 66 K 9.12 3.78 0.00 1.72 1.90 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.63 7.81 67 N 8.00 4.48 0.00 2.81 2.91 0.00 0.00 6.30 7.00 0.00 0.00 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 G 8.45 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 0.00 0.00 0.00 69 Q 8.88 4.05 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 70 T 8.39 4.48 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 1.22 0.00 0.00 71 N 7.77 5.02 0.00 2.99 3.17 0.00 0.00 6.08 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 C 7.38 5.24 0.00 3.08 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 73 Y 8.56 5.09 0.00 2.89 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 74 Q 9.06 5.10 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 75 S 9.11 4.32 0.00 3.89 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 9.00 4.45 0.00 3.11 2.96 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 0.00 0.00 0.00 0.00 77 S 7.84 5.00 0.00 3.82 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 78 T 8.27 4.09 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 79 M 8.56 5.05 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.52 0.00 80 S 9.33 4.97 0.00 3.91 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 81 I 9.16 5.25 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.84 1.00 0.00 0.00 82 T 9.04 5.02 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 83 D 9.59 5.04 0.00 2.70 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 84 C 9.41 5.76 0.00 2.86 2.96 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 0.00 0.00 0.00 0.00 85 R 8.90 5.40 0.00 1.81 1.82 0.00 3.24 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 86 E 8.78 4.04 0.00 1.75 1.68 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 1.68 2.07 0.00 87 T 8.49 4.32 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 1.21 0.00 0.00 88 G 8.51 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 89 S 7.38 4.42 0.00 3.95 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 S 7.48 3.97 0.00 3.84 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 91 K 8.87 4.35 0.00 1.79 1.60 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.40 7.81 92 Y 8.81 4.28 0.00 2.93 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 93 P 0.00 3.10 0.00 1.77 1.08 0.00 3.66 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 94 N 7.92 4.61 0.00 2.83 2.77 0.00 0.00 6.95 7.75 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 95 C 7.87 4.67 0.00 3.17 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.72 5.16 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 0.00 0.00 0.00 0.00 0.00 97 Y 9.43 5.11 0.00 2.86 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 98 K 9.31 4.43 0.00 1.87 1.73 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.50 7.81 99 T 8.59 5.03 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 1.26 0.00 0.00 100 T 8.76 4.59 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 1.23 0.00 0.00 101 Q 8.67 4.89 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.81 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 102 A 8.31 4.45 1.23 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 0.00 0.00 103 N 9.04 6.03 0.00 2.55 2.75 0.00 0.00 7.05 7.61 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 0.00 104 K 8.24 4.70 0.00 1.83 1.90 0.00 1.55 0.00 0.00 1.89 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.53 7.81 105 H 8.86 4.99 0.00 3.20 3.29 0.00 5.76 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.33 4.94 1.88 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.97 1.14 0.00 0.00 107 I 8.09 5.48 1.65 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.46 0.77 0.00 0.00 108 V 8.21 4.75 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 0.71 0.00 0.00 0.80 0.00 0.00 109 A 8.64 4.94 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 0.00 110 C 8.84 5.16 0.00 1.56 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 0.00 0.00 0.00 111 E 8.65 4.78 0.00 1.88 1.82 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 2.27 2.24 0.00 112 G 9.36 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 0.00 0.00 0.00 113 N 8.26 5.06 0.00 2.63 2.69 0.00 0.00 6.89 7.69 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 0.00 114 P 0.00 4.29 0.00 2.09 1.98 0.00 3.74 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 115 Y 8.32 4.93 0.00 2.77 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 0.00 116 V 8.22 4.44 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 0.73 0.00 0.00 nan 0.00 0.00 117 P 0.00 4.52 0.00 0.49 0.93 0.00 3.29 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 118 V 8.69 4.65 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 0.70 0.00 0.00 0.90 0.00 0.00 119 H 7.98 5.06 0.00 3.33 3.16 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.68 4.59 0.00 2.55 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 0.00 121 D 8.38 4.46 0.00 2.53 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 0.00 122 A 6.67 4.65 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 0.00 123 S 8.80 5.16 0.00 3.98 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.95 4.15 2.09 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 0.66 0.00 0.00 0.98 0.00 0.00