NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 G 4.0935 8.1976 108.0267 46.5645 0.0000 172.1014 10 K 4.9545 8.2823 117.9234 54.9285 36.6280 172.6781 11 L 5.3495 9.0086 123.6221 53.6541 45.4007 176.5879 12 T 5.1036 9.1860 115.7353 60.3254 72.8602 172.1944 13 T 5.0531 8.1692 115.6169 61.2692 71.7247 172.2371 14 H 4.7593 8.3418 120.5639 55.4729 33.2242 171.9011 15 I 4.7408 8.7946 127.6084 59.4066 39.5921 174.3022 16 L 4.8408 8.6313 128.8111 53.1742 44.9711 174.7093 17 D 4.9081 9.2541 126.9408 53.2971 40.5824 176.7215 18 L 4.2796 9.2817 128.6803 57.8045 42.1475 180.1784 19 T 4.1220 8.4244 108.9431 64.0032 67.5984 174.7229 20 C 4.7231 7.5917 110.6789 56.6727 30.8733 174.6187 21 G 4.1377 8.4390 107.5114 46.6239 0.0000 173.3981 22 K 4.8085 7.2519 117.6245 53.1168 36.3616 173.8913 23 P 4.7440 0.0000 0.0000 62.4698 32.2169 176.4600 24 A 4.3280 8.9358 125.7523 51.1505 18.9427 176.6074 25 A 4.6614 8.9455 124.6527 51.6767 20.1734 176.7161 26 N 4.2401 8.2144 117.0625 53.5957 37.0607 174.7233 27 V 4.2475 8.1990 118.6042 62.2865 33.8597 175.6122 28 K 4.0732 8.5883 129.4037 56.1342 33.6157 175.2656 29 I 4.6689 9.0101 128.7471 59.3944 40.3592 174.4134 30 G 4.2557 8.6351 115.0566 44.3746 0.0000 172.5365 31 L 5.2084 7.8748 125.6785 53.1331 45.7214 175.0932 32 K 4.4437 8.0133 120.6833 56.2391 36.3391 174.5182 33 R 3.9970 8.0031 120.3666 55.4592 31.5494 175.7449 34 L 3.8284 7.8657 124.3041 57.1578 41.7789 176.5118 35 G 4.1403 9.0633 115.1920 45.7862 0.0000 173.3666 36 E 4.2240 7.4026 117.8372 55.4744 30.3919 176.1935 37 S 4.4670 8.0774 114.2658 57.3394 64.2314 173.6068 38 I 4.1529 7.8499 122.0332 61.0296 37.7826 175.0930 *40 K 4.1665 8.3727 120.5595 56.9192 33.8732 175.7320 41 E 4.8071 8.4541 120.9561 55.5573 32.7898 174.8972 42 V 4.6915 8.8029 117.6305 59.6371 36.4643 174.2287 43 Y 5.2288 8.4875 118.5772 56.2501 41.0720 176.1222 44 T 4.3979 8.7468 113.9181 61.8401 70.7261 174.5902 45 N 5.0785 9.3164 122.2137 51.7838 39.6515 175.2586 46 N 4.4037 8.6919 114.4137 55.9902 38.3588 175.2499 47 D 4.6213 8.9101 118.0804 53.5013 41.3709 177.1552 48 G 4.2181 8.3659 104.6670 45.9471 0.0000 173.6132 49 R 4.7938 7.4822 118.5994 53.8605 33.2154 174.3789 50 V 4.6417 7.9855 117.4997 61.2604 33.2181 174.3134 51 D 4.4307 8.9180 127.7124 57.7137 40.9568 176.9685 52 V 3.8885 7.4850 117.4426 61.2409 32.3086 174.1100 53 P 4.3015 0.0000 0.0000 62.9587 31.8203 176.1695 54 L 4.1594 8.3285 122.7082 57.3535 41.9462 177.9307 55 L 4.8783 7.7348 115.5678 52.1261 45.9622 175.0549 56 A 5.0105 8.5932 122.5722 52.2742 23.0340 176.7186 57 G 3.8517 8.8392 110.7565 47.0173 0.0000 177.2726 58 E 4.1835 8.9111 124.3419 57.7251 29.8441 177.1856 59 E 4.1089 8.1792 120.1639 58.0079 30.0644 176.1468 60 L 4.4338 7.3376 119.7969 53.7575 43.1722 175.5776 *62 S 4.3815 8.3586 118.1300 57.1556 63.3330 173.9367 63 G 3.9876 7.7221 114.1579 44.8374 0.0000 170.4254 64 E 4.9080 7.7578 118.6735 55.1965 31.8342 175.3414 65 Y 5.0103 8.2570 120.0241 56.5065 43.0821 173.7341 66 V 5.2647 8.2402 118.6824 61.5949 35.9778 172.6867 *68 E 4.2340 8.6087 119.2355 56.2937 31.0087 175.2021 69 F 4.5445 9.2183 124.6137 56.5429 40.6671 176.3559 70 H 4.6853 8.7042 123.3658 54.5510 25.6179 175.9389 71 A 4.0371 7.8906 126.6555 54.7902 18.9762 179.2605 72 G 3.8062 8.6267 104.7858 48.4232 0.0000 175.6300 73 D 4.4348 8.1260 121.0533 56.9241 40.8022 177.9059 74 Y 3.9244 7.7885 120.0188 60.9833 38.9351 178.4775 75 F 4.2812 8.4477 118.3995 60.2300 38.9629 177.6654 76 A 4.0772 8.0352 120.6640 55.0543 18.0113 179.6563 77 S 4.1897 7.9994 111.2160 60.3194 63.1615 175.6457 78 K 4.3663 7.4312 119.9559 54.4877 33.6164 174.9748 79 N 4.0281 7.6398 118.6000 53.6061 35.2025 173.1949 *81 N 4.4858 8.0121 118.3173 51.2171 40.9204 175.1902 82 A 4.4203 8.0572 117.9378 52.2465 16.3731 176.3097 83 A 4.4461 7.0539 117.1313 53.3013 22.5978 177.7929 84 D 4.4781 9.1372 122.3046 56.5495 41.1125 176.4771 85 Q 4.5135 7.6449 119.7509 52.5827 28.7781 172.2411 86 P 4.4433 0.0000 0.0000 62.1879 32.2566 176.6313 87 F 4.3837 9.1131 123.9993 60.3458 39.6599 175.3216 88 L 4.5755 7.9685 119.8058 52.9419 43.1095 174.0010 89 T 4.4815 7.8011 112.0857 60.8374 71.3178 172.8628 90 I 4.6940 7.5894 123.3268 58.6313 39.7009 175.1102 91 V 4.1176 9.0248 128.9584 61.9643 32.5442 174.5145 92 T 4.7700 8.4867 118.8194 59.9830 70.8555 173.9961 93 V 4.4555 8.4641 125.4674 61.1282 34.2786 173.6594 94 R 5.0955 8.8104 129.0785 54.9533 31.4588 175.0115 95 F 5.1458 8.2223 119.9513 55.5241 42.4512 172.8300 96 Q 4.9133 8.7246 119.2188 54.3476 31.4914 174.1684 97 L 4.1061 9.0419 127.4492 53.8945 42.3783 177.3753 98 A 4.0194 9.0311 127.9268 54.6722 19.2277 176.5547 99 D 4.6603 8.4433 116.3265 53.0038 41.4806 175.7464 100 P 4.4763 0.0000 0.0000 64.7294 31.6074 176.7678 101 D 4.6920 9.0366 116.6180 53.8816 41.2985 176.1175 102 A 4.3182 7.7722 122.4722 51.5861 20.6544 176.1276 103 H 5.1397 8.2556 115.9691 54.4064 30.7036 174.0015 104 Y 4.7239 9.1261 121.3034 56.2740 41.1968 174.1649 105 H 5.2173 8.9076 123.2331 54.7408 32.7158 172.2295 106 I 4.7855 8.3658 128.1804 57.7665 37.2228 173.4972 107 P 4.3582 0.0000 0.0000 62.0530 32.9221 174.7423 108 L 4.8651 8.9628 124.8511 53.2056 45.3912 175.0498 109 L 4.7851 9.1834 127.0163 53.2612 43.3269 174.8512 110 L 5.0623 8.7143 127.1360 53.5094 44.5037 175.1962 111 S 5.1226 8.8643 118.7206 56.1236 66.2219 172.8240 112 P 4.1099 0.0000 0.0000 63.7786 31.0525 177.1420 113 F 4.8943 7.5152 115.3512 56.3741 40.4893 174.6834 114 G 4.0222 7.5602 108.6529 46.1465 0.0000 170.9935 115 Y 5.3529 7.5365 116.2144 56.5126 40.8426 173.5296 116 Q 4.7426 9.0719 120.2228 54.7197 32.4916 174.0017 117 V 5.1716 8.6466 118.0874 59.2540 35.9831 173.6984 118 Y 4.6202 7.2600 119.4277 56.3665 40.9896 172.5999 119 R 4.3192 8.8861 121.1759 55.8330 30.5721 176.3772 120 G 4.2203 9.1446 115.0664 45.4392 0.0000 173.6267 121 S 4.4822 8.4982 113.3958 58.3790 63.4237 174.1746 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 9 G 8.20 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 0.00 0.00 0.00 0.00 10 K 8.28 4.95 0.00 1.93 1.93 0.00 1.27 0.00 0.00 1.64 0.00 0.00 2.69 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.60 1.54 7.81 11 L 9.01 5.35 0.00 1.66 1.45 0.81 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 12 T 9.19 5.10 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 1.21 0.00 0.00 13 T 8.17 5.05 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 1.27 0.00 0.00 14 H 8.34 4.76 0.00 3.29 3.00 0.00 5.69 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.79 4.74 1.65 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 0.80 0.45 0.57 0.00 0.00 16 L 8.63 4.84 0.00 1.78 1.50 0.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17 D 9.25 4.91 0.00 2.84 2.82 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 18 L 9.28 4.28 0.00 1.76 1.78 1.05 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.42 4.12 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 1.18 0.00 0.00 20 C 7.59 4.72 0.00 3.14 3.19 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 21 G 8.44 4.14 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 0.00 0.00 0.00 22 K 7.25 4.81 0.00 1.85 1.72 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.65 7.81 23 P 0.00 4.74 0.00 2.10 2.03 0.00 3.70 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 2.04 2.12 0.00 24 A 8.94 4.33 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.95 4.66 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 26 N 8.21 4.24 0.00 3.01 2.95 0.00 0.00 6.83 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 27 V 8.20 4.25 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 0.82 0.00 0.00 0.48 0.00 0.00 28 K 8.59 4.07 0.00 1.52 1.39 0.00 1.43 0.00 0.00 1.55 0.00 0.00 2.41 0.00 0.00 2.20 0.00 0.00 0.00 0.00 1.08 0.70 7.81 29 I 9.01 4.67 1.68 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 1.07 0.78 0.42 0.00 0.00 30 G 8.64 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 0.00 0.00 0.00 0.00 31 L 7.87 5.21 0.00 1.70 1.44 0.98 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.01 4.44 0.00 1.84 1.80 0.00 1.18 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.15 1.42 7.81 33 R 8.00 4.00 0.00 1.59 1.49 0.00 3.27 0.00 0.00 2.99 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.50 0.00 34 L 7.87 3.83 0.00 1.46 1.45 0.84 0.94 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 35 G 9.06 4.14 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 0.00 0.00 0.00 36 E 7.40 4.22 0.00 2.06 1.87 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 2.29 2.16 0.00 37 S 8.08 4.47 0.00 3.95 3.83 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 I 7.85 4.15 1.84 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 1.31 0.77 0.94 0.00 0.00 *40 K 8.37 4.17 0.00 1.72 1.73 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.48 7.81 41 E 8.45 4.81 0.00 1.76 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 2.13 2.30 0.00 42 V 8.80 4.69 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 0.83 0.00 0.00 0.85 0.00 0.00 43 Y 8.49 5.23 0.00 2.75 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 44 T 8.75 4.40 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 1.24 0.00 0.00 45 N 9.32 5.08 0.00 2.90 3.04 0.00 0.00 7.10 6.84 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 46 N 8.69 4.40 0.00 2.74 2.94 0.00 0.00 6.65 8.06 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 47 D 8.91 4.62 0.00 2.73 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 48 G 8.37 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 49 R 7.48 4.79 0.00 1.76 1.86 0.00 3.17 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 50 V 7.99 4.64 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 0.92 0.00 0.00 0.99 0.00 0.00 51 D 8.92 4.43 0.00 2.71 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 52 V 7.49 3.89 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 0.80 0.00 0.00 0.94 0.00 0.00 53 P 0.00 4.30 0.00 2.08 2.01 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 54 L 8.33 4.16 0.00 1.78 1.70 0.89 0.63 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 55 L 7.73 4.88 0.00 1.54 1.43 0.38 1.14 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 56 A 8.59 5.01 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 57 G 8.84 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 0.00 0.00 0.00 58 E 8.91 4.18 0.00 1.99 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 2.33 2.31 0.00 59 E 8.18 4.11 0.00 2.06 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 2.34 2.28 0.00 60 L 7.34 4.43 0.00 1.60 1.70 0.98 1.20 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 *62 S 8.36 4.38 0.00 4.03 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 63 G 7.72 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 64 E 7.76 4.91 0.00 1.76 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 2.27 2.25 0.00 65 Y 8.26 5.01 0.00 1.71 2.43 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 66 V 8.24 5.26 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 1.28 0.00 0.00 0.84 0.00 0.00 *68 E 8.61 4.23 0.00 1.85 1.79 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 2.22 2.25 0.00 69 F 9.22 4.54 0.00 2.79 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 70 H 8.70 4.69 0.00 3.14 3.26 0.00 5.62 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 71 A 7.89 4.04 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 72 G 8.63 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 73 D 8.13 4.43 0.00 2.77 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 74 Y 7.79 3.92 0.00 2.89 2.82 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 75 F 8.45 4.28 0.00 3.32 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.04 4.08 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 77 S 8.00 4.19 0.00 3.98 3.96 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 78 K 7.43 4.37 0.00 1.79 1.87 0.00 1.52 0.00 0.00 1.05 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.23 1.41 7.81 79 N 7.64 4.03 0.00 2.90 2.87 0.00 0.00 6.91 7.29 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 *81 N 8.01 4.49 0.00 2.81 3.03 0.00 0.00 6.96 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.06 4.42 1.46 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 0.00 0.00 83 A 7.05 4.45 1.24 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 0.00 0.00 0.00 84 D 9.14 4.48 0.00 2.71 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 85 Q 7.64 4.51 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 86 P 0.00 4.44 0.00 2.27 2.05 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 87 F 9.11 4.38 0.00 3.07 3.22 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 88 L 7.97 4.58 0.00 1.93 1.67 0.86 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 89 T 7.80 4.48 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 1.22 0.00 0.00 90 I 7.59 4.69 1.81 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.82 0.77 0.00 0.00 91 V 9.02 4.12 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 0.14 0.00 0.00 0.81 0.00 0.00 92 T 8.49 4.77 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 1.24 0.00 0.00 93 V 8.46 4.46 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 1.17 0.00 0.00 1.07 0.00 0.00 94 R 8.81 5.10 0.00 1.86 1.85 0.00 3.21 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 95 F 8.22 5.15 0.00 3.14 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 96 Q 8.72 4.91 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.54 0.00 97 L 9.04 4.11 0.00 1.61 1.16 0.45 0.23 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 98 A 9.03 4.02 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 99 D 8.44 4.66 0.00 2.79 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 0.00 100 P 0.00 4.48 0.00 2.12 2.15 0.00 3.76 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.22 0.00 101 D 9.04 4.69 0.00 2.71 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 0.00 102 A 7.77 4.32 0.91 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 0.00 0.00 103 H 8.26 5.14 0.00 2.96 3.18 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Y 9.13 4.72 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 0.00 105 H 8.91 5.22 0.00 3.14 3.11 0.00 5.64 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.37 4.79 1.61 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.51 0.69 0.00 0.00 107 P 0.00 4.36 0.00 1.35 1.71 0.00 2.97 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 1.79 1.57 0.00 108 L 8.96 4.87 0.00 1.11 1.01 -0.39 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 109 L 9.18 4.79 0.00 1.65 1.65 1.01 0.39 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 0.00 110 L 8.71 5.06 0.00 1.58 1.41 0.97 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.86 5.12 0.00 3.99 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 0.00 112 P 0.00 4.11 0.00 0.49 1.18 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.44 0.00 113 F 7.52 4.89 0.00 2.98 2.80 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 0.00 114 G 7.56 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 0.00 0.00 0.00 115 Y 7.54 5.35 0.00 2.96 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 0.00 116 Q 9.07 4.74 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 117 V 8.65 5.17 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 0.94 0.00 0.00 1.11 0.00 0.00 118 Y 7.26 4.62 0.00 3.07 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 0.00 119 R 8.89 4.32 0.00 1.93 1.99 0.00 3.45 0.00 0.00 3.31 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 120 G 9.14 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 0.00 121 S 8.50 4.48 0.00 4.00 3.88 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 * Residues marked with a * may have inaccurate shift predictions.