NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0564 8.1633 120.7252 55.2002 33.8140 173.9457 2 R 4.9972 9.3491 122.4939 51.7286 34.3850 169.5867 3 V 5.0619 8.6364 121.6397 60.1863 35.7368 173.6707 4 V 4.9359 8.9783 124.0807 61.3881 33.8437 174.2611 5 I 5.0303 8.9403 128.5299 59.7386 40.2791 174.3361 6 Q 5.1418 8.7783 126.3735 53.8203 31.7786 175.2358 7 R 4.3996 8.8444 125.1057 56.4334 31.4209 175.6097 8 V 4.9583 9.0533 118.1199 59.8725 35.9785 176.3471 9 K 4.2332 8.5485 122.7909 58.4335 32.8004 177.3015 10 G 4.2101 7.8444 104.6125 45.5426 0.0000 172.2201 11 A 5.2989 8.3031 120.5554 50.7559 23.4408 175.6154 12 I 4.8222 8.7864 122.1926 59.5032 40.8062 174.1934 13 L 5.2604 9.0247 130.4091 53.4924 44.1914 175.3223 14 S 5.7077 8.9382 119.2644 56.0164 66.9576 173.5244 15 V 4.8549 8.3545 114.7204 60.0838 35.3177 174.4272 16 R 4.6883 8.4549 123.1721 55.6002 32.5058 176.5918 *24 E 3.9728 8.5784 117.1722 56.8197 30.9591 171.8395 25 K 4.1635 10.0013 124.2572 52.9489 32.1738 173.1800 26 E 3.9122 8.6630 122.9759 54.8393 29.6913 173.1005 27 L 5.0786 8.1656 117.5205 52.9972 44.0877 175.9267 28 E 4.7162 9.0276 119.3087 54.2924 32.6465 174.8804 29 I 4.4533 8.6877 125.5480 61.8276 37.0988 175.6295 30 I 4.5302 8.7056 120.0896 60.7347 39.5334 176.0025 31 S 4.7649 7.8536 118.6190 56.9712 67.2572 172.5395 32 E 5.2472 8.6840 123.9855 54.8083 32.6264 173.9661 33 I 4.9159 8.7063 119.0400 57.4708 41.2833 175.2098 34 K 4.5487 8.9547 124.4820 55.6132 30.6685 177.6438 35 N 4.2206 8.5666 124.2222 54.6662 39.3691 173.6936 36 G 4.6586 7.8315 111.9525 46.3277 0.0000 170.9325 37 L 5.2747 8.1577 121.2977 52.9329 45.7605 175.5127 38 I 4.6051 8.3475 122.4914 59.4627 40.5478 174.1322 39 C 5.0812 8.4909 126.1133 57.9624 31.3444 173.4468 40 F 4.9444 9.1536 125.1965 56.6777 39.7889 175.0601 41 L 5.0455 9.4886 128.3218 53.4028 44.0394 175.1165 42 G 4.4911 9.2538 115.0291 44.7625 0.0000 171.7574 43 I 5.1948 8.6102 124.8910 59.4752 39.2465 175.1018 44 H 3.6861 9.1014 127.4661 55.2362 30.3538 175.3143 45 K 3.9319 7.6933 125.0248 58.8656 32.6200 177.6912 46 N 4.8649 8.0890 116.2788 52.1528 37.9938 174.5363 47 D 4.7969 7.5558 117.6235 52.9984 43.0068 177.2942 48 T 4.6969 8.9193 114.7989 59.8596 71.0213 175.5742 49 W 4.6386 9.0279 131.4127 60.9478 30.5618 177.9252 50 E 3.9777 8.1050 117.2454 59.1845 28.5724 178.9179 51 D 4.3920 8.2949 119.1043 57.2592 40.8662 178.5867 52 A 3.9947 7.8651 120.8646 54.7757 18.2826 179.6297 53 L 3.4638 7.2037 117.3325 57.8610 41.6641 178.7968 54 Y 3.8787 7.7143 118.9765 60.7133 38.6652 178.3347 55 I 3.7556 7.5283 120.3471 64.4680 37.2144 178.4108 56 I 3.0466 7.4270 120.3584 64.1505 36.8766 178.0350 57 R 3.7576 7.9124 119.7880 59.7382 29.7348 178.5602 58 K 3.8260 7.9282 117.6562 59.5124 31.8456 178.9008 59 C 4.0307 7.8097 115.7966 63.2603 28.3021 176.1750 60 L 4.2552 8.2702 118.0511 56.3391 41.4063 177.4454 61 N 4.8689 7.8188 114.3268 53.2735 40.7035 175.3092 62 L 4.0213 8.2227 119.2607 55.4438 42.4170 177.1987 63 R 4.8039 8.4128 122.5740 54.6125 28.6157 176.1983 64 L 5.1869 8.2980 118.3448 53.8613 42.5608 176.2918 65 W 4.8255 7.8867 118.5956 54.5717 32.3306 174.9964 66 N 4.6523 8.5331 120.1000 53.3957 38.7126 174.8113 67 N 4.4808 10.0138 119.1673 52.7210 39.9559 173.0052 68 D 4.2631 9.1011 117.0640 55.4805 38.6220 171.6409 69 N 4.7111 8.8078 124.6918 52.1662 38.0996 174.4442 70 K 4.6839 8.1124 116.8116 54.4752 34.9134 175.2080 71 T 4.2293 8.2533 111.6226 60.0923 71.5599 174.1243 72 W 4.2560 7.1862 117.9238 56.9401 26.7909 173.3799 73 D 4.7595 8.9831 115.8297 54.7556 44.5168 176.0653 74 K 4.9047 8.2309 117.0322 54.7383 35.3142 176.1827 75 N 5.3210 8.6506 121.7072 51.0835 40.2446 175.6218 76 V 3.5423 8.7417 116.7552 66.5534 31.4168 178.3637 77 K 3.6342 7.8657 119.2968 58.6792 31.5638 178.9254 78 D 4.3011 8.1468 117.8054 57.2732 40.8459 178.0256 79 L 3.8254 6.7112 114.2931 53.6275 41.7164 176.3339 80 N 4.2725 7.8255 115.6318 54.7052 36.2820 173.7671 81 Y 5.0312 7.7493 116.5002 57.1692 40.1337 174.5029 82 E 5.1163 8.7043 118.3650 55.0046 33.5606 175.4214 83 L 5.0134 8.5079 119.1573 52.9593 46.2618 175.9075 84 L 4.9997 8.6939 124.4177 53.5734 44.1957 175.3952 85 I 4.6198 8.7390 129.5668 59.9647 38.7556 175.0681 86 V 4.6395 8.3622 128.3833 60.6258 33.7375 174.8057 87 S 4.8485 8.8668 123.4472 58.8294 63.0789 173.5198 88 Q 4.3993 9.4405 126.2737 53.9105 30.8205 175.9507 89 F 4.4611 8.5087 120.7391 59.2840 38.6496 177.9310 90 T 3.6167 6.6695 111.1306 63.5587 68.5059 176.0164 91 L 3.8324 7.3630 122.1735 57.3980 41.7393 177.6824 92 F 4.8340 8.4150 116.6445 57.0281 38.9034 175.3970 93 G 3.9284 8.3078 111.5791 46.1523 0.0000 173.5290 94 N 4.6398 8.9078 125.9698 52.9704 38.1465 174.0691 95 T 4.5454 8.2135 115.4410 61.4397 69.4243 176.2661 96 K 4.0741 8.3965 123.6338 59.9238 31.6883 178.3233 97 K 3.8821 7.5468 116.2906 58.4626 33.0358 180.2683 98 G 4.0171 7.5084 116.3606 45.5030 0.0000 172.7438 99 N 4.5335 8.8520 117.6094 53.6781 39.4782 174.7137 100 K 4.3983 7.7938 119.8450 53.8119 33.3067 173.6954 101 P 4.5882 0.0000 0.0000 61.9994 32.5163 174.9134 102 D 4.1299 8.2470 120.8802 51.5579 41.4206 176.3423 103 F 5.5077 7.4215 119.9222 56.9992 39.3643 177.3073 104 H 4.3013 7.9132 121.2992 58.9693 28.8567 176.5185 105 L 3.9100 7.9625 119.3755 56.4992 42.3078 176.2244 106 A 4.2668 8.1179 120.0983 51.6410 19.3859 176.9346 107 K 4.0812 8.3786 121.4957 55.5713 33.2852 176.3484 108 E 3.8944 8.9767 127.7601 56.5818 29.9746 175.8496 109 P 4.5259 0.0000 0.0000 65.8164 31.4951 178.2886 110 N 4.4473 8.8085 115.6043 56.0173 38.4176 176.9562 111 E 4.2610 8.1670 118.3182 58.3863 29.8630 178.3708 112 A 4.1096 8.1051 121.1191 55.4561 18.2573 179.4950 113 L 2.6078 7.5848 117.9498 57.7039 42.1649 179.0231 114 I 3.6641 7.2656 118.5830 64.5204 37.1144 178.0483 115 F 4.0836 8.6566 121.5848 61.6148 39.1863 176.4438 116 Y 4.3327 8.4594 119.1717 60.8730 38.4570 177.9354 117 N 4.2501 8.1652 117.3909 55.9920 38.7654 177.2672 118 K 3.7725 7.8408 119.5174 59.7833 32.1414 179.2404 119 I 3.7294 7.9776 119.6065 64.6169 37.0771 178.6614 120 I 4.0269 7.7955 120.6433 64.2586 36.7212 178.2679 121 D 4.3034 8.4151 120.1883 57.4580 40.7282 178.0898 122 E 3.9289 8.3567 119.6462 59.4992 29.2931 178.8012 123 F 4.2551 8.3555 117.0720 60.6918 39.2929 177.5706 124 K 4.1572 8.1089 117.6921 59.3572 31.6958 178.9386 125 K 3.8439 8.4615 118.8410 60.0242 32.1950 178.0745 126 Q 4.3631 8.3334 114.6149 57.3975 29.1185 175.4367 127 Y 4.8699 8.4172 125.1705 56.9548 39.4156 174.2518 128 N 4.6882 6.9969 116.0818 51.7036 40.0486 175.3497 129 D 4.4041 8.4819 124.1034 55.2626 40.0867 176.3476 130 D 4.6266 8.2234 118.1226 54.1716 41.4848 176.2236 131 K 4.4343 7.5506 116.2201 56.5531 33.6638 175.3228 132 I 4.7578 7.6375 121.5800 59.5027 39.0019 175.1337 133 K 4.7739 9.1668 126.8524 54.8110 35.6396 175.7486 134 I 4.5805 7.3884 112.8452 58.8843 40.2406 173.3329 135 G 4.1772 7.9929 107.9167 44.1052 0.0000 172.0563 136 K 4.2306 8.4543 118.3846 55.6449 31.9195 177.6221 137 F 3.8047 9.2255 127.1217 61.3514 39.4105 176.5925 138 G 3.6692 8.3477 107.6511 48.3340 0.0000 173.4744 139 N 4.7510 7.4844 116.1852 51.5521 39.8897 174.0705 140 Y 4.1192 8.3168 120.8285 57.9105 39.4475 174.3946 141 M 5.0380 7.1147 124.8136 53.4712 36.7274 174.0679 142 N 4.8521 9.1502 119.3095 51.9753 42.0054 173.1234 143 I 4.9402 8.3720 126.8195 59.6276 40.0019 174.8036 144 D 4.7110 8.8388 128.3360 53.5327 42.2211 175.9519 145 V 4.6456 8.2822 122.7940 61.5558 34.3466 175.3098 146 T 4.3768 8.7166 125.9757 62.3225 68.5824 173.2785 147 N 4.7117 8.5738 123.9931 53.1077 39.2740 175.6234 148 D 4.5046 9.7466 126.0655 50.3965 39.1067 176.3309 149 G 4.7098 8.0313 118.9827 45.8325 0.0000 169.1828 150 P 4.3635 0.0000 0.0000 61.5005 32.5523 175.8339 151 V 4.4041 8.0835 117.4218 61.7010 34.1961 173.8715 152 T 5.1623 8.6594 124.2833 61.8375 71.4342 173.9151 153 I 4.6657 8.8113 125.4983 59.7719 41.2411 173.5152 154 Y 5.2541 8.7757 127.6052 56.0201 41.2678 174.8222 155 I 4.3680 7.4397 125.3860 59.5940 42.1140 173.3831 156 D 5.1775 8.2380 126.2960 52.3413 43.1363 176.6001 157 T 3.6208 9.1658 117.9263 64.8319 68.8572 175.6762 158 H 4.3632 8.2171 117.1394 57.2546 28.6420 175.6200 159 D 4.5922 8.1037 121.3431 55.8255 41.2258 177.2127 160 I 4.0423 7.7525 122.8318 60.1084 36.5354 179.9460 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 M 8.16 5.06 0.00 1.73 2.02 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.35 5.00 0.00 1.33 1.70 0.00 2.21 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 3 V 8.64 5.06 2.16 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 0.70 0.00 0.00 1.10 0.00 0.00 4 V 8.98 4.94 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 1.22 0.00 0.00 1.10 0.00 0.00 5 I 8.94 5.03 1.89 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 1.27 0.61 0.92 0.00 0.00 6 Q 8.78 5.14 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 7 R 8.84 4.40 0.00 1.61 1.61 0.00 2.21 0.00 0.00 2.43 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.63 0.00 8 V 9.05 4.96 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 0.73 0.00 0.00 0.99 0.00 0.00 9 K 8.55 4.23 0.00 1.62 1.84 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.76 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.49 1.39 7.81 10 G 7.84 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 11 A 8.30 5.30 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 0.00 0.00 12 I 8.79 4.82 1.87 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 1.11 0.99 0.92 0.00 0.00 13 L 9.02 5.26 0.00 1.68 1.51 0.92 0.52 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 14 S 8.94 5.71 0.00 3.90 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 15 V 8.35 4.85 2.14 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 0.79 0.00 0.00 0.97 0.00 0.00 16 R 8.45 4.69 0.00 1.73 1.90 0.00 3.17 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 *24 E 8.58 3.97 0.00 2.01 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 2.13 1.88 0.00 25 K 10.00 4.16 0.00 1.84 1.93 0.00 1.90 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.17 0.81 7.81 26 E 8.66 3.91 0.00 2.25 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 2.17 2.27 0.00 27 L 8.17 5.08 0.00 1.67 1.65 0.97 0.95 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 28 E 9.03 4.72 0.00 1.96 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 2.19 2.28 0.00 29 I 8.69 4.45 1.88 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 1.41 0.55 0.97 0.00 0.00 30 I 8.71 4.53 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.69 0.99 0.00 0.00 31 S 7.85 4.76 0.00 3.74 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 32 E 8.68 5.25 0.00 1.92 1.75 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 2.18 2.30 0.00 33 I 8.71 4.92 1.85 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 1.21 1.20 0.96 0.00 0.00 34 K 8.95 4.55 0.00 1.87 1.41 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.51 7.81 35 N 8.57 4.22 0.00 1.70 1.42 0.00 0.00 6.62 7.89 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 36 G 7.83 4.66 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 0.00 0.00 0.00 37 L 8.16 5.27 0.00 1.63 1.55 1.08 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.35 4.61 1.73 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 0.36 1.24 0.89 0.00 0.00 39 C 8.49 5.08 0.00 2.79 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 40 F 9.15 4.94 0.00 3.00 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 41 L 9.49 5.05 0.00 1.85 1.79 1.26 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.25 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.61 5.19 2.03 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.32 0.78 0.00 0.00 44 H 9.10 3.69 0.00 2.77 3.27 0.00 5.76 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 45 K 7.69 3.93 0.00 1.89 1.64 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.41 1.36 7.81 46 N 8.09 4.86 0.00 2.73 2.76 0.00 0.00 6.84 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 7.56 4.80 0.00 2.42 2.32 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 48 T 8.92 4.70 4.37 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 1.26 0.00 0.00 49 W 9.03 4.64 0.00 3.41 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 50 E 8.10 3.98 0.00 2.13 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 2.43 2.54 0.00 51 D 8.29 4.39 0.00 2.92 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 52 A 7.87 3.99 0.90 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 53 L 7.20 3.46 0.00 1.64 1.54 0.13 0.32 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 54 Y 7.71 3.88 0.00 3.05 2.87 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 55 I 7.53 3.76 1.98 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 1.83 0.98 1.02 0.00 0.00 56 I 7.43 3.05 1.53 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.16 0.11 0.26 0.00 0.00 57 R 7.91 3.76 0.00 1.82 1.80 0.00 2.99 0.00 0.00 3.01 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 58 K 7.93 3.83 0.00 1.73 1.74 0.00 1.61 0.00 0.00 1.42 0.00 0.00 2.55 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.78 1.12 7.81 59 C 7.81 4.03 0.00 3.50 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 60 L 8.27 4.26 0.00 1.81 1.67 1.04 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.82 4.87 0.00 2.79 2.77 0.00 0.00 6.98 7.16 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 62 L 8.22 4.02 0.00 1.74 1.64 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.41 4.80 0.00 2.02 1.96 0.00 3.42 0.00 0.00 3.36 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.84 0.00 64 L 8.30 5.19 0.00 1.04 1.57 0.83 0.99 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 65 W 7.89 4.83 0.00 3.65 2.89 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 66 N 8.53 4.65 0.00 2.60 2.73 0.00 0.00 6.73 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 67 N 10.01 4.48 0.00 2.74 2.78 0.00 0.00 7.27 8.37 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 68 D 9.10 4.26 0.00 2.74 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 69 N 8.81 4.71 0.00 2.78 3.26 0.00 0.00 7.08 6.68 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 70 K 8.11 4.68 0.00 1.91 1.67 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.33 7.81 71 T 8.25 4.23 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 1.15 0.00 0.00 72 W 7.19 4.26 0.00 3.48 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 73 D 8.98 4.76 0.00 2.82 2.64 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 74 K 8.23 4.90 0.00 1.76 1.63 0.00 1.62 0.00 0.00 2.01 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.31 7.81 75 N 8.65 5.32 0.00 2.98 3.19 0.00 0.00 6.49 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 76 V 8.74 3.54 1.96 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 1.31 0.00 0.00 1.11 0.00 0.00 77 K 7.87 3.63 0.00 1.66 1.48 0.00 1.51 0.00 0.00 1.44 0.00 0.00 3.10 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 0.88 7.81 78 D 8.15 4.30 0.00 2.62 2.62 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 0.00 0.00 0.00 0.00 79 L 6.71 3.83 0.00 0.27 0.13 0.37 0.76 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 80 N 7.83 4.27 0.00 2.67 2.89 0.00 0.00 6.87 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 81 Y 7.75 5.03 0.00 2.75 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 82 E 8.70 5.12 0.00 1.94 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 2.23 2.30 0.00 83 L 8.51 5.01 0.00 1.45 1.29 1.08 0.26 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 84 L 8.69 5.00 0.00 1.66 1.40 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.74 4.62 1.83 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.77 1.00 0.00 0.00 86 V 8.36 4.64 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 0.95 0.00 0.00 0.86 0.00 0.00 87 S 8.87 4.85 0.00 3.64 3.50 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 0.00 88 Q 9.44 4.40 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.58 0.00 89 F 8.51 4.46 0.00 3.28 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 90 T 6.67 3.62 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 0.07 0.00 0.00 91 L 7.36 3.83 0.00 1.45 1.39 0.98 0.94 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 92 F 8.41 4.83 0.00 3.40 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.31 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 0.00 0.00 0.00 94 N 8.91 4.64 0.00 2.70 2.88 0.00 0.00 7.18 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 95 T 8.21 4.55 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 1.20 0.00 0.00 96 K 8.40 4.07 0.00 1.90 1.90 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.53 7.81 97 K 7.55 3.88 0.00 1.71 1.70 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.50 7.81 98 G 7.51 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 99 N 8.85 4.53 0.00 2.71 2.87 0.00 0.00 6.60 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 0.00 100 K 7.79 4.40 0.00 1.68 1.67 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.36 7.81 101 P 0.00 4.59 0.00 2.20 2.03 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 102 D 8.25 4.13 0.00 2.57 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 0.00 103 F 7.42 5.51 0.00 3.21 3.35 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 0.00 104 H 7.91 4.30 0.00 3.16 3.38 0.00 5.85 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 0.00 105 L 7.96 3.91 0.00 1.75 1.50 0.92 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.12 4.27 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.38 4.08 0.00 1.94 1.75 0.00 1.85 0.00 0.00 1.44 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.33 7.81 108 E 8.98 3.89 0.00 2.05 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 2.39 2.33 0.00 109 P 0.00 4.53 0.00 2.25 2.17 0.00 3.64 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 2.04 2.07 0.00 110 N 8.81 4.45 0.00 3.17 2.88 0.00 0.00 6.82 7.13 0.00 0.00 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 8.17 4.26 0.00 2.08 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 2.34 2.35 0.00 112 A 8.11 4.11 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 0.00 0.00 0.00 0.00 0.00 113 L 7.58 2.61 0.00 0.97 1.63 0.62 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.27 3.66 2.10 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.90 0.93 0.00 0.00 115 F 8.66 4.08 0.00 3.27 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 0.00 116 Y 8.46 4.33 0.00 3.24 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 0.00 117 N 8.17 4.25 0.00 2.74 2.85 0.00 0.00 6.97 9.04 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 0.00 118 K 7.84 3.77 0.00 1.82 1.74 0.00 1.25 0.00 0.00 0.61 0.00 0.00 2.35 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.10 1.29 7.81 119 I 7.98 3.73 2.02 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.68 0.99 0.00 0.00 120 I 7.80 4.03 1.73 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 0.94 0.43 0.88 0.00 0.00 121 D 8.42 4.30 0.00 3.03 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 0.00 122 E 8.36 3.93 0.00 2.52 1.85 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 2.61 2.38 0.00 123 F 8.36 4.26 0.00 3.22 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 0.00 124 K 8.11 4.16 0.00 2.04 1.87 0.00 1.71 0.00 0.00 1.57 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.68 7.81 125 K 8.46 3.84 0.00 1.74 2.07 0.00 1.83 0.00 0.00 2.15 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.54 7.81 126 Q 8.33 4.36 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.43 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 127 Y 8.42 4.87 0.00 2.91 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.00 4.69 0.00 2.26 1.71 0.00 0.00 6.69 8.49 0.00 0.00 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 D 8.48 4.40 0.00 2.81 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 0.00 130 D 8.22 4.63 0.00 2.58 2.71 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 0.00 131 K 7.55 4.43 0.00 1.20 1.61 0.00 1.91 0.00 0.00 1.59 0.00 0.00 2.73 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.25 0.92 7.81 132 I 7.64 4.76 1.84 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 1.48 0.93 0.73 0.00 0.00 133 K 9.17 4.77 0.00 1.57 1.67 0.00 1.61 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.62 7.81 134 I 7.39 4.58 2.10 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.15 0.90 0.00 0.00 135 G 7.99 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 0.00 0.00 0.00 136 K 8.45 4.23 0.00 1.83 1.83 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.42 7.81 137 F 9.23 3.80 0.00 2.78 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 0.00 138 G 8.35 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 0.00 139 N 7.48 4.75 0.00 2.78 2.83 0.00 0.00 7.03 7.47 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 0.00 140 Y 8.32 4.12 0.00 2.98 2.89 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 0.00 141 M 7.11 5.04 0.00 1.78 1.70 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 2.56 2.47 0.00 142 N 9.15 4.85 0.00 2.88 2.67 0.00 0.00 7.26 7.82 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 0.00 143 I 8.37 4.94 1.94 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 1.34 0.78 0.92 0.00 0.00 144 D 8.84 4.71 0.00 2.63 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 0.00 145 V 8.28 4.65 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.99 0.00 0.00 146 T 8.72 4.38 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 1.21 0.00 0.00 147 N 8.57 4.71 0.00 2.62 2.77 0.00 0.00 6.99 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 0.00 148 D 9.75 4.50 0.00 2.66 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 0.00 149 G 8.03 4.71 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 0.00 150 P 0.00 4.36 0.00 2.20 2.08 0.00 3.72 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 2.00 1.95 0.00 151 V 8.08 4.40 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 1.22 0.00 0.00 0.94 0.00 0.00 152 T 8.66 5.16 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 1.26 0.00 0.00 153 I 8.81 4.67 1.88 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.05 0.91 0.00 0.00 154 Y 8.78 5.25 0.00 2.91 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 0.00 155 I 7.44 4.37 1.77 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.64 0.98 0.00 0.00 156 D 8.24 5.18 0.00 2.59 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 0.00 157 T 9.17 3.62 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 1.30 0.00 0.00 158 H 8.22 4.36 0.00 3.31 3.37 0.00 5.66 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 0.00 159 D 8.10 4.59 0.00 2.79 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 0.00 160 I 7.75 4.04 1.87 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 1.16 0.54 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.