NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.2499 8.2493 123.5740 51.1462 19.7191 176.5338 5 P 4.3914 0.0000 0.0000 60.9533 32.4010 172.3994 6 E 4.7343 9.2974 119.9220 54.5947 33.6186 175.1878 7 L 5.2057 8.5767 121.5177 53.1660 44.2587 175.8668 8 R 4.7304 8.8114 123.0615 54.3254 32.2002 175.4771 9 I 4.8233 8.4830 118.2203 60.5736 39.2107 175.1374 10 F 4.9150 9.6805 126.4507 56.2906 42.8823 172.9863 11 P 3.7156 0.0000 0.0000 61.3416 33.6350 174.9306 12 K 4.1243 8.2358 117.8729 59.3997 32.4389 177.4570 13 K 4.6523 7.3073 114.7160 56.0868 35.6542 175.5498 14 M 4.4022 8.9561 120.8290 54.3866 35.1589 173.8720 15 D 5.0925 8.7550 127.4216 53.3456 40.7534 175.0541 16 A 4.4262 8.1343 125.7277 50.3550 20.4178 176.5627 17 E 4.4446 9.0485 122.1861 55.7826 31.1706 176.6206 18 L 4.3549 8.4403 122.9474 56.1974 42.1306 177.7237 19 G 4.0123 8.8509 112.9819 44.9123 0.0000 173.5746 20 Q 4.1355 7.8388 121.4188 56.0728 30.4975 174.7820 21 K 4.9612 8.5072 126.0116 55.1804 33.5039 175.4601 22 V 4.3220 8.4763 128.1392 61.2186 33.6244 174.0160 23 D 5.0822 8.6792 127.9109 53.4044 42.1537 175.8208 24 L 5.1607 9.4619 123.5998 52.8746 45.3904 175.9537 25 V 5.2296 9.2387 121.8736 60.3366 35.4886 173.7426 26 C 5.5064 9.5289 122.6468 55.0478 47.8852 172.1589 27 E 4.9207 9.1899 128.8617 55.6781 30.7145 175.2005 28 V 4.4219 8.8924 128.1918 61.7615 32.3812 175.1618 29 L 4.3956 8.5619 128.6898 54.0181 44.2343 177.7851 30 G 3.8832 8.9697 112.4222 44.3518 0.0000 174.8261 31 S 5.9706 8.4868 126.0019 59.1424 64.2580 178.5397 32 V 3.9198 7.8108 115.4083 63.6630 32.1254 175.9247 33 S 4.9532 7.4313 112.1261 56.6265 66.2295 174.9588 34 Q 4.5158 7.7390 125.4105 56.0154 27.8821 176.1548 35 G 3.9660 8.5935 113.0976 46.0302 0.0000 170.9450 36 C 4.5753 7.2311 117.7871 57.4751 35.1107 173.8845 37 S 5.3312 8.8250 121.9034 56.8345 65.0505 173.0588 38 W 4.9749 9.2143 124.4877 55.1964 31.2878 175.3313 39 L 5.1529 8.9664 122.8620 53.0058 45.7609 175.2652 40 F 5.1262 9.3046 122.6856 56.7054 43.0381 173.2321 41 Q 4.2274 8.7980 127.2015 53.5685 30.6773 173.5471 42 N 3.9918 7.6553 124.5324 54.2260 39.4333 175.4652 43 S 4.4531 9.0406 121.6857 61.0136 63.4152 176.4140 44 S 4.1969 8.4872 115.5782 59.7909 62.3752 174.0468 45 S 4.6649 7.7853 116.0428 55.9083 63.6072 175.1278 46 K 4.1077 8.7317 125.2335 58.2276 32.7978 176.7286 47 L 4.6385 6.9709 117.4366 51.9830 43.1803 175.2216 48 P 4.4932 0.0000 0.0000 62.5064 28.7840 174.1011 49 Q 4.3071 7.7505 124.3168 54.2817 28.6357 172.7044 50 P 4.7208 0.0000 0.0000 62.9559 32.1700 175.7491 51 T 4.7735 9.3153 115.1676 59.7306 71.3707 173.7201 52 F 4.6313 8.9624 126.2920 58.7255 40.3891 173.6556 53 V 4.2311 7.3865 122.5405 63.5197 33.7132 175.3138 54 V 4.4541 6.2018 117.3931 60.5460 34.5200 170.9497 55 Y 5.1501 8.7939 123.3730 56.2203 41.8742 173.8083 56 M 4.7543 8.0831 125.9564 53.1026 34.4790 175.5635 57 A 4.2197 8.1757 125.5463 51.9618 18.8789 177.9830 58 S 4.4034 9.1143 115.6498 60.7535 63.3549 175.6006 59 S 3.9039 7.7203 114.2191 59.0193 62.5806 173.7950 60 H 4.8488 7.9004 117.0115 52.7385 31.6374 174.4954 61 N 4.3283 8.5751 118.7308 54.2642 38.1833 175.5850 62 K 4.4475 8.2234 124.0935 55.9235 34.0159 174.4172 63 I 4.7857 8.2632 120.5834 60.0892 40.0582 175.3891 64 T 4.6985 8.6750 118.7731 61.8972 72.1733 172.9606 65 W 5.4168 8.9460 126.5261 54.7257 31.0956 175.7031 66 D 4.8024 8.7966 124.2405 54.2813 40.9978 176.1022 67 E 4.2217 9.3829 123.6397 60.0280 29.8977 177.9271 68 K 3.9630 7.8923 119.6881 56.9022 32.5182 177.2540 *73 K 4.1451 8.0158 118.9188 56.5588 34.3838 178.0451 74 L 3.6305 7.0218 118.3142 56.2948 41.7723 177.6440 75 F 5.4601 7.3619 115.1147 56.3875 41.7884 174.4333 76 S 5.0026 9.1409 113.1550 57.6481 66.1060 172.7307 77 A 5.2851 8.7302 125.5311 51.1219 22.0817 175.2556 78 M 4.7327 8.8564 117.4701 54.1231 35.4496 174.3103 79 R 4.6235 8.4313 121.1305 54.5921 29.9052 175.0123 80 D 4.4648 7.9567 125.6792 53.1509 41.8304 178.9464 81 T 4.2504 8.2493 113.0514 62.0169 68.5074 174.8981 82 N 4.1262 8.2278 126.9163 55.0274 38.9273 174.4500 83 N 4.9021 8.2442 120.1350 53.9175 40.1415 173.4252 84 K 4.7403 7.4926 119.4003 55.3194 33.9031 175.8495 85 Y 4.7085 8.7752 124.6049 56.4210 39.9901 175.1633 86 V 4.4912 8.7284 125.6321 61.4977 33.3635 174.1622 87 L 4.7162 9.0877 131.4428 53.1827 44.1521 174.8036 88 T 5.0096 8.9373 116.8349 59.8353 71.7757 172.8808 89 L 4.8788 9.0581 125.9924 53.9933 42.7855 177.3093 90 N 4.4059 9.1770 122.8385 55.6347 39.2417 176.0296 91 K 4.6943 7.6097 116.3220 54.2531 35.6199 176.1584 92 F 4.5450 9.0095 128.5360 58.4046 40.9763 174.2384 93 S 4.4523 7.2515 118.6274 56.7658 65.9410 174.8691 94 K 3.8266 8.6333 118.4609 60.0144 32.2409 179.1008 95 E 3.9515 8.1865 118.9735 59.1742 29.3028 177.5045 96 N 4.5322 7.1804 111.4741 52.2563 37.8034 174.2496 97 E 4.6084 7.9580 120.7112 55.5570 30.7315 175.9982 98 G 4.2095 7.7112 114.4298 46.3718 0.0000 169.6522 99 Y 5.3243 7.6760 119.0867 56.5774 40.6989 174.9061 100 Y 5.6080 9.1364 121.7339 56.6836 41.6058 174.7117 101 F 5.3108 8.9818 114.5665 56.4138 41.6832 170.8099 102 C 4.5521 8.5402 116.0482 54.4993 43.2710 172.2454 103 S 5.5950 8.9054 113.5928 56.6665 66.2064 172.6517 104 V 4.7823 7.9452 122.3002 61.4660 35.5015 173.7119 105 I 5.0850 8.3214 117.1234 59.4168 39.3292 174.1559 106 S 4.7322 9.0336 124.4818 58.0231 64.9601 174.7042 107 N 4.2813 9.4930 122.1345 54.9209 35.8990 174.0044 108 S 3.7325 8.2231 105.4944 59.2637 62.4220 171.5898 109 V 4.3161 7.9509 120.1212 62.2090 33.8480 174.2701 110 M 4.6248 8.3639 127.3392 55.0427 33.1040 175.1954 111 Y 4.6024 8.8284 120.1493 56.0749 41.8224 174.5952 112 F 5.5875 8.7431 121.0661 55.6290 42.5514 175.3320 113 S 4.5992 8.7485 117.7285 57.7325 64.6250 173.4049 114 S 4.4285 8.5774 116.5427 58.4771 63.4893 173.2926 115 V 4.7503 8.0958 120.7391 61.5076 33.2972 175.0610 116 V 4.4339 9.2550 128.1919 60.5135 33.5129 172.9390 117 P 4.4935 0.0000 0.0000 62.8700 32.5327 176.0037 118 V 4.6695 9.3412 127.1788 61.2278 32.7068 174.0893 119 L 5.3633 8.7191 127.5590 52.2921 45.7914 175.9946 120 Q 4.5592 9.8050 124.6550 56.5997 29.8740 176.3274 121 K 3.9042 9.0527 126.8293 57.3418 32.6189 178.0556 122 V 3.5005 8.4767 127.3343 63.2109 31.9052 175.7683 123 N 4.6945 8.5264 123.6855 53.7267 38.7445 173.8932 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 4 A 8.25 4.25 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 5 P 0.00 4.39 0.00 1.74 1.79 0.00 3.27 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 0.49 1.48 0.00 6 E 9.30 4.73 0.00 2.01 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 2.21 2.30 0.00 7 L 8.58 5.21 0.00 1.54 1.58 0.91 0.78 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 8 R 8.81 4.73 0.00 1.77 1.92 0.00 3.34 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 9 I 8.48 4.82 2.07 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 1.58 0.52 1.20 0.00 0.00 10 F 9.68 4.92 0.00 3.17 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 11 P 0.00 3.72 0.00 1.96 1.23 0.00 3.79 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.77 0.00 12 K 8.24 4.12 0.00 1.65 1.82 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.43 7.81 13 K 7.31 4.65 0.00 1.77 1.72 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.41 7.81 14 M 8.96 4.40 0.00 1.99 1.83 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 2.27 2.39 0.00 15 D 8.76 5.09 0.00 2.54 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 16 A 8.13 4.43 0.03 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 17 E 9.05 4.44 0.00 1.90 1.89 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 2.29 2.41 0.00 18 L 8.44 4.35 0.00 1.69 1.66 0.95 1.02 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 19 G 8.85 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 20 Q 7.84 4.14 0.00 2.28 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 21 K 8.51 4.96 0.00 1.79 1.69 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.56 7.81 22 V 8.48 4.32 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 0.81 0.00 0.00 0.79 0.00 0.00 23 D 8.68 5.08 0.00 2.61 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 9.46 5.16 0.00 0.90 1.47 0.26 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 25 V 9.24 5.23 2.19 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 0.99 0.00 0.00 1.02 0.00 0.00 26 C 9.53 5.51 0.00 2.92 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 27 E 9.19 4.92 0.00 2.14 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 28 V 8.89 4.42 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 0.79 0.00 0.00 0.91 0.00 0.00 29 L 8.56 4.40 0.00 1.67 1.57 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.97 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 0.00 0.00 0.00 31 S 8.49 5.97 0.00 4.04 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 32 V 7.81 3.92 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 0.73 0.00 0.00 0.81 0.00 0.00 33 S 7.43 4.95 0.00 4.14 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 34 Q 7.74 4.52 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 35 G 8.59 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 0.00 0.00 0.00 36 C 7.23 4.58 0.00 1.95 1.18 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 37 S 8.83 5.33 0.00 3.85 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 38 W 9.21 4.97 0.00 3.00 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 39 L 8.97 5.15 0.00 0.27 0.98 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 40 F 9.30 5.13 0.00 2.70 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.80 4.23 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.66 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 42 N 7.66 3.99 0.00 2.65 2.63 0.00 0.00 7.12 7.22 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 43 S 9.04 4.45 0.00 4.00 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 44 S 8.49 4.20 0.00 4.05 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 45 S 7.79 4.66 0.00 4.10 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 46 K 8.73 4.11 0.00 1.89 1.99 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.41 7.81 47 L 6.97 4.64 0.00 1.67 1.60 0.91 0.97 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 48 P 0.00 4.49 0.00 2.08 1.99 0.00 3.31 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.84 0.00 49 Q 7.75 4.31 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 50 P 0.00 4.72 0.00 2.27 2.31 0.00 3.79 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 51 T 9.32 4.77 4.41 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 1.28 0.00 0.00 52 F 8.96 4.63 0.00 3.10 3.08 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 0.00 0.00 0.00 53 V 7.39 4.23 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 0.64 0.00 0.00 0.88 0.00 0.00 54 V 6.20 4.45 0.92 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 0.23 0.00 0.00 -0.38 0.00 0.00 55 Y 8.79 5.15 0.00 3.27 2.90 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 56 M 8.08 4.75 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 57 A 8.18 4.22 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 58 S 9.11 4.40 0.00 4.05 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 0.00 59 S 7.72 3.90 0.00 3.73 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 H 7.90 4.85 0.00 3.18 3.26 0.00 5.71 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 61 N 8.58 4.33 0.00 2.74 2.83 0.00 0.00 6.69 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 62 K 8.22 4.45 0.00 1.82 1.72 0.00 1.81 0.00 0.00 1.96 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.41 7.81 63 I 8.26 4.79 1.42 0.00 0.00 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 1.29 0.77 0.86 0.00 0.00 64 T 8.68 4.70 4.41 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 1.31 0.00 0.00 65 W 8.95 5.42 0.00 3.25 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.80 4.80 0.00 3.18 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 E 9.38 4.22 0.00 2.17 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 0.00 2.35 2.33 0.00 68 K 7.89 3.96 0.00 2.31 1.98 0.00 1.86 0.00 0.00 2.02 0.00 0.00 3.06 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.53 1.60 7.81 *73 K 8.02 4.15 0.00 1.64 1.79 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.37 7.81 74 L 7.02 3.63 0.00 0.96 0.71 0.69 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 75 F 7.36 5.46 0.00 2.84 3.04 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 76 S 9.14 5.00 0.00 4.06 3.69 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 77 A 8.73 5.29 1.14 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 78 M 8.86 4.73 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 79 R 8.43 4.62 0.00 1.74 1.79 0.00 2.87 0.00 0.00 2.79 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.64 0.00 80 D 7.96 4.46 0.00 2.80 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 81 T 8.25 4.25 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 1.16 0.00 0.00 82 N 8.23 4.13 0.00 2.70 2.34 0.00 0.00 6.52 8.00 0.00 0.00 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 N 8.24 4.90 0.00 2.75 2.78 0.00 0.00 6.75 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 84 K 7.49 4.74 0.00 1.83 1.72 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.36 7.81 85 Y 8.78 4.71 0.00 3.14 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 86 V 8.73 4.49 2.20 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 0.92 0.00 0.00 0.95 0.00 0.00 87 L 9.09 4.72 0.00 0.27 0.13 0.41 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.94 5.01 4.46 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 1.24 0.00 0.00 89 L 9.06 4.88 0.00 1.62 1.66 0.86 0.50 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 90 N 9.18 4.41 0.00 2.54 2.82 0.00 0.00 6.84 7.17 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 91 K 7.61 4.69 0.00 1.50 1.64 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.34 7.81 92 F 9.01 4.54 0.00 3.23 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 93 S 7.25 4.45 0.00 3.70 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 94 K 8.63 3.83 0.00 1.86 2.07 0.00 1.47 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.37 7.81 95 E 8.19 3.95 0.00 1.80 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 2.28 2.16 0.00 96 N 7.18 4.53 0.00 3.01 2.60 0.00 0.00 7.05 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 97 E 7.96 4.61 0.00 2.14 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 0.00 2.99 2.58 0.00 98 G 7.71 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 7.68 5.32 0.00 3.05 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 0.00 100 Y 9.14 5.61 0.00 3.26 3.29 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 0.00 101 F 8.98 5.31 0.00 3.20 3.31 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 0.00 102 C 8.54 4.55 0.00 2.29 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 0.00 103 S 8.91 5.60 0.00 3.90 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 0.00 104 V 7.95 4.78 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 0.76 0.00 0.00 0.75 0.00 0.00 105 I 8.32 5.08 1.87 0.00 0.00 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 1.33 0.72 0.86 0.00 0.00 106 S 9.03 4.73 0.00 4.06 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 0.00 107 N 9.49 4.28 0.00 2.88 2.89 0.00 0.00 7.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.22 3.73 0.00 4.09 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 V 7.95 4.32 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 0.55 0.00 0.00 0.95 0.00 0.00 110 M 8.36 4.62 0.00 1.39 1.79 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 111 Y 8.83 4.60 0.00 2.71 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 0.00 112 F 8.74 5.59 0.00 2.90 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.75 4.60 0.00 3.98 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.58 4.43 0.00 3.95 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.10 4.75 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 0.97 0.00 0.00 0.62 0.00 0.00 116 V 9.26 4.43 2.37 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 1.09 0.00 0.00 1.16 0.00 0.00 117 P 0.00 4.49 0.00 2.18 2.08 0.00 3.82 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 118 V 9.34 4.67 2.47 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 0.90 0.00 0.00 1.11 0.00 0.00 119 L 8.72 5.36 0.00 1.58 1.52 0.92 0.57 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 0.00 120 Q 9.80 4.56 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.67 0.00 0.00 0.00 0.00 0.00 2.74 2.61 0.00 121 K 9.05 3.90 0.00 1.83 1.74 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.43 7.81 122 V 8.48 3.50 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 0.78 0.00 0.00 0.94 0.00 0.00 123 N 8.53 4.69 0.00 2.87 3.00 0.00 0.00 6.79 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.