NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 V 4.0847 8.0129 117.9085 60.4201 33.4368 175.2138 29 T 4.0097 8.2575 115.4809 61.5112 69.0335 172.9100 30 G 4.0578 9.1903 114.3769 44.6022 0.0000 174.3490 31 D 4.3956 7.8919 121.0453 56.8997 41.3313 178.4731 32 T 4.3911 7.8833 109.7938 63.8987 69.2966 175.1188 33 D 4.7955 7.6903 121.7453 53.7433 39.7542 181.1328 34 Q 4.7595 7.7150 118.3665 53.4869 32.3723 174.0415 35 P 4.3485 0.0000 0.0000 62.9832 31.7472 175.9264 36 I 4.3163 8.3121 124.2931 61.2114 38.3125 174.7850 37 H 4.9260 9.4255 124.1527 54.0988 31.1283 173.5129 38 I 4.7940 8.3281 123.4360 59.4095 39.9754 174.2396 39 E 4.8036 8.7991 128.7358 54.6119 31.7427 174.8728 40 S 4.8323 8.3204 119.6178 58.0510 65.5520 174.1511 41 D 4.5504 8.7533 118.1238 57.0452 40.9152 177.2561 42 Q 4.7656 7.8775 115.5032 54.4843 32.3800 173.7805 43 Q 4.7164 8.2088 116.2942 55.9047 31.1300 173.5477 44 S 4.6566 8.9017 114.1803 56.9150 66.7708 172.5907 45 L 4.8860 8.3471 122.4343 53.3837 45.4372 175.5075 46 D 4.8031 8.2738 123.3893 52.4466 42.2399 176.2169 47 M 4.2092 8.8640 127.4017 57.8112 32.4775 177.4023 48 Q 4.3838 7.9316 118.4582 54.4577 28.0180 180.9027 49 G 3.3535 9.3957 110.5056 44.9530 0.0000 170.0723 50 N 4.6937 9.3359 124.9030 53.2129 37.3936 174.9074 51 V 4.3569 7.7814 123.0616 61.9585 33.5950 171.0173 52 V 4.2776 8.7672 125.6831 61.4500 33.0800 174.0933 53 T 5.1136 8.5920 125.6768 61.8015 71.0759 173.7195 54 F 5.3454 9.4942 124.7175 56.0299 43.1177 174.3679 55 T 5.0858 8.3930 109.9533 61.2867 72.9917 170.3003 56 G 4.1650 8.8021 119.7948 48.9196 0.0000 174.9303 57 N 4.0984 8.5856 122.6733 52.7717 35.1409 171.4917 58 V 4.1066 7.5455 122.9423 63.3236 33.3577 175.3386 59 I 4.9165 8.6952 128.6374 59.6279 40.4302 174.4740 60 V 4.9024 8.7404 128.3467 59.8459 33.7057 174.8477 61 T 5.0865 9.0388 115.9792 58.6414 71.6726 172.6846 62 Q 4.2002 8.2756 125.6509 56.3183 31.7480 174.5853 63 G 4.4190 9.8145 116.4937 44.9771 0.0000 172.9155 64 T 4.6008 6.1814 112.7414 61.0757 71.3583 176.4797 65 I 3.9155 8.0584 126.2757 62.0913 38.6645 175.9546 66 K 4.8713 8.8973 128.0328 53.6954 36.0463 175.3285 67 I 5.2184 8.6798 124.9544 58.7532 41.7194 174.1071 68 N 5.5826 9.1365 122.8853 51.6439 42.2416 173.3987 69 A 4.8828 8.6865 123.2022 51.2103 23.3257 177.1137 70 D 4.3810 9.8256 121.8357 57.6772 41.3213 177.8010 71 K 5.2503 8.1350 120.4641 53.3022 36.5532 176.8825 72 V 5.6133 8.7361 121.8753 60.2051 34.3441 174.8516 73 V 5.0040 8.7558 121.2642 60.2306 34.4496 175.8349 74 V 5.3324 8.9265 122.9004 60.1287 34.1628 174.3759 75 T 4.9807 8.6660 118.1970 60.7026 72.0896 176.4961 76 R 4.8922 8.4040 117.3266 58.2697 31.1856 174.2448 77 P 4.3783 0.0000 0.0000 66.2499 29.2241 175.7898 78 G 4.1124 8.1276 108.4004 46.8123 0.0000 172.8357 79 G 3.8980 8.3911 114.8210 46.0751 0.0000 176.1419 *83 K 4.2595 8.7262 125.7153 54.6528 33.0163 175.1947 84 E 4.5462 8.2312 121.6841 56.9165 31.3467 177.0118 85 V 4.5129 9.1784 126.9719 61.6210 33.6587 175.2648 86 I 4.4046 8.2349 127.7263 60.4593 36.8300 173.2377 87 D 4.5390 8.6921 124.0898 53.2301 44.1558 174.6522 88 G 4.2727 8.8769 114.5808 46.2901 0.0000 171.2402 89 Y 5.4867 8.1795 117.8744 56.4784 42.5351 173.2728 90 G 4.1281 8.6033 109.9188 44.0820 0.0000 173.4724 91 K 4.6451 8.2661 126.9569 52.7421 33.2716 174.1696 92 P 4.8140 0.0000 0.0000 60.9256 34.0047 174.9310 93 A 4.8879 9.0763 121.0543 50.4845 21.8871 175.1561 94 T 4.9032 8.6194 113.3698 60.3472 71.0835 173.6917 95 F 5.3494 8.6335 127.0761 56.8012 42.1274 173.6221 96 Y 4.7283 7.7532 124.4779 56.4824 42.2618 173.1817 97 Q 4.2086 7.0998 124.4676 54.8461 33.3946 172.3651 98 M 4.6642 7.9833 122.5752 53.6628 34.1682 175.7706 99 Q 4.3741 8.4260 124.9891 55.1992 29.9614 176.8947 100 D 4.3690 8.6622 119.5034 57.6273 40.8236 177.7135 101 N 4.4823 8.1034 113.2117 52.9435 38.1335 174.2352 102 G 3.5021 8.0215 108.7653 47.4934 0.0000 176.2264 *103 K 4.3477 7.4625 122.3894 52.4120 34.0339 176.5452 104 P 5.0091 0.0000 0.0000 62.3678 28.7794 175.4458 105 V 3.8963 7.7009 120.4271 60.8370 32.5947 175.0156 106 E 4.9166 9.6241 131.4386 55.8548 30.9929 175.3342 107 G 4.4180 8.4025 108.5672 46.0797 0.0000 170.7981 108 H 4.7875 8.5524 113.8676 55.5912 31.4881 173.7684 109 A 4.8039 7.8480 120.9684 52.6375 21.7566 176.3022 110 S 4.5923 8.8678 108.7341 59.4174 64.8077 174.2869 111 Q 5.0163 8.2336 124.3281 56.1220 32.3941 174.2486 112 M 4.7478 8.6232 126.3987 54.2756 33.7850 172.2453 113 H 5.0262 8.0333 117.3538 55.4298 29.3453 174.0728 *114 Y 4.2852 8.2370 120.6337 58.3867 39.9014 175.1011 115 E 4.9147 8.9914 128.5287 54.7983 30.2123 177.2477 116 L 3.8281 8.4510 125.4210 57.1657 41.6866 178.1991 117 A 3.8533 8.6485 123.4151 56.1733 19.6728 180.2964 118 K 3.9732 8.3135 119.2552 54.4743 31.6310 179.6093 119 D 5.0828 8.4592 116.4324 54.4315 44.0514 174.4242 120 F 4.3466 7.7627 123.0674 57.5703 42.2615 175.3146 121 V 4.8760 8.0937 122.2746 61.3926 34.9699 173.8187 122 V 4.8275 8.6684 127.5015 61.3061 33.6203 174.2325 123 L 5.1726 8.5125 128.7596 53.2571 43.8038 176.1988 124 T 4.5716 8.2218 116.3855 63.3664 72.2881 173.2027 125 G 3.8285 8.7802 114.4106 47.4026 0.0000 173.6264 126 N 5.0358 7.8194 119.9741 52.9023 36.4615 171.7565 127 A 4.8778 8.4964 122.7492 50.4229 21.6818 175.6743 128 Y 5.0034 9.4902 126.2117 56.3064 42.0982 175.0961 129 L 5.1266 8.5568 127.7696 53.4439 45.4983 172.3232 130 Q 4.3699 8.1054 116.4788 58.4088 31.5926 172.8238 131 Q 4.4561 8.0367 119.2714 57.1702 31.2871 175.5433 132 V 4.0625 8.3504 114.7787 61.2031 30.8141 173.6213 133 D 4.7043 6.9245 118.4723 54.9416 46.2641 175.7370 134 S 4.3924 8.9044 128.8476 56.4382 62.7590 174.0383 135 N 4.6368 8.2771 123.4063 52.5901 39.1000 174.1544 136 I 5.4999 8.0276 121.9005 59.7698 42.2095 175.2590 137 K 4.9129 8.3496 127.4152 53.4547 35.2378 173.8996 138 G 4.0636 9.5009 117.5079 45.2673 0.0000 174.8431 139 D 5.0692 9.5538 123.6205 54.4325 44.5822 176.5445 140 K 5.3236 7.8791 121.4658 55.1916 35.3004 178.6624 141 I 5.2217 8.7212 127.5062 58.2472 39.6748 175.2077 142 T 5.4840 8.4223 116.4573 59.2019 70.3120 172.0452 143 Y 4.5973 8.2145 129.0175 56.8332 41.0503 173.7672 144 L 4.3414 7.4487 128.6254 53.7533 44.4751 178.1003 145 V 3.6009 7.7519 126.2920 63.9020 31.9407 175.2427 146 K 4.0994 7.9850 123.2941 58.2631 31.6416 180.4714 147 E 4.1226 8.0786 114.9099 56.4432 29.8222 178.9807 148 Q 3.3857 7.4185 117.7233 57.4166 26.4281 179.6317 149 K 4.7539 7.4976 119.7357 54.4083 36.1732 177.7166 150 M 5.2627 8.2220 124.0624 53.7596 35.5772 174.6803 151 Q 4.6001 8.1915 117.6214 55.8223 32.7331 169.4223 152 A 5.3949 7.6402 116.5388 53.2702 22.0475 175.7559 153 F 4.9353 8.9286 121.1691 56.6754 43.9673 174.5329 154 S 5.2238 8.6455 119.4273 58.0228 66.2643 175.2926 155 D 4.5281 9.8070 125.3295 52.5689 40.3359 175.7843 *156 K 4.3246 8.3518 120.3418 58.3125 31.4081 177.6042 157 G 4.1334 9.0223 115.1978 44.8515 0.0000 173.7414 158 K 4.7464 8.0394 122.7185 53.2866 35.6126 182.4618 159 R 4.9557 8.2240 118.6545 55.2682 31.8699 174.2663 160 V 4.7803 7.9205 114.1548 62.7005 35.6475 175.8976 161 T 4.7735 8.0867 115.9698 62.8337 72.6926 173.4227 162 T 5.3623 8.2829 122.6114 63.8429 72.7677 174.4850 163 V 4.3255 8.0021 122.8842 60.9777 34.3499 176.2698 164 L 4.5710 8.2966 117.4485 55.7823 44.5494 171.8443 165 V 4.2621 8.1063 117.1854 59.2378 32.8081 175.6396 166 P 4.4977 0.0000 0.0000 62.1347 31.3704 176.1235 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 28 V 8.01 4.08 2.08 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 0.71 0.00 0.00 0.93 0.00 0.00 29 T 8.26 4.01 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 30 G 9.19 4.06 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 0.00 0.00 0.00 31 D 7.89 4.40 0.00 3.09 2.70 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 0.00 0.00 0.00 32 T 7.88 4.39 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 33 D 7.69 4.80 0.00 2.75 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 34 Q 7.71 4.76 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 35 P 0.00 4.35 0.00 2.24 2.11 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 36 I 8.31 4.32 1.88 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 1.49 0.57 0.94 0.00 0.00 37 H 9.43 4.93 0.00 2.99 3.18 0.00 5.57 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.33 4.79 1.55 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.24 0.07 0.00 0.00 39 E 8.80 4.80 0.00 2.04 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 0.00 2.23 2.23 0.00 40 S 8.32 4.83 0.00 4.18 3.90 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 41 D 8.75 4.55 0.00 2.88 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 42 Q 7.88 4.77 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.63 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 43 Q 8.21 4.72 0.00 1.66 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.74 0.00 0.00 0.00 0.00 0.00 2.18 2.31 0.00 44 S 8.90 4.66 0.00 3.73 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 45 L 8.35 4.89 0.00 1.53 1.47 0.88 1.10 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 46 D 8.27 4.80 0.00 2.81 2.48 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 0.00 0.00 0.00 0.00 47 M 8.86 4.21 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 48 Q 7.93 4.38 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.17 0.00 49 G 9.40 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 0.00 0.00 0.00 50 N 9.34 4.69 0.00 2.93 3.00 0.00 0.00 6.67 7.74 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 51 V 7.78 4.36 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 0.87 0.00 0.00 0.93 0.00 0.00 52 V 8.77 4.28 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 0.63 0.00 0.00 0.98 0.00 0.00 53 T 8.59 5.11 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 1.17 0.00 0.00 54 F 9.49 5.35 0.00 2.93 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 55 T 8.39 5.09 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 1.22 0.00 0.00 56 G 8.80 4.17 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 0.00 57 N 8.59 4.10 0.00 2.83 2.87 0.00 0.00 6.85 7.67 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 58 V 7.55 4.11 2.22 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 0.79 0.00 0.00 1.15 0.00 0.00 59 I 8.70 4.92 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.95 0.88 0.00 0.00 60 V 8.74 4.90 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 0.76 0.00 0.00 0.86 0.00 0.00 61 T 9.04 5.09 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 1.18 0.00 0.00 62 Q 8.28 4.20 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.06 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 63 G 9.81 4.42 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 0.00 64 T 6.18 4.60 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 65 I 8.06 3.92 1.85 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 1.10 1.18 0.72 0.00 0.00 66 K 8.90 4.87 0.00 1.36 1.60 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.26 1.27 7.81 67 I 8.68 5.22 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 1.29 0.50 1.04 0.00 0.00 68 N 9.14 5.58 0.00 2.61 2.66 0.00 0.00 6.40 7.70 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 69 A 8.69 4.88 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 70 D 9.83 4.38 0.00 2.84 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 71 K 8.13 5.25 0.00 1.39 1.60 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.70 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.32 0.96 7.81 72 V 8.74 5.61 2.18 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 1.02 0.00 0.00 0.99 0.00 0.00 73 V 8.76 5.00 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 0.71 0.00 0.00 1.08 0.00 0.00 74 V 8.93 5.33 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 1.26 0.00 0.00 1.02 0.00 0.00 75 T 8.67 4.98 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 1.24 0.00 0.00 76 R 8.40 4.89 0.00 1.71 1.85 0.00 3.35 0.00 0.00 3.30 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.17 0.00 77 P 0.00 4.38 0.00 2.06 2.01 0.00 3.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 78 G 8.13 4.11 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 0.00 0.00 0.00 79 G 8.39 3.90 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 0.00 *83 K 8.73 4.26 0.00 1.49 1.83 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.05 7.81 84 E 8.23 4.55 0.00 2.01 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 2.43 2.40 0.00 85 V 9.18 4.51 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 0.98 0.00 0.00 1.01 0.00 0.00 86 I 8.23 4.40 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 0.80 0.91 0.00 0.00 87 D 8.69 4.54 0.00 2.93 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 88 G 8.88 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 0.00 0.00 0.00 0.00 89 Y 8.18 5.49 0.00 2.97 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 90 G 8.60 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.27 4.65 0.00 1.52 1.62 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 0.96 7.81 92 P 0.00 4.81 0.00 2.02 2.05 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 93 A 9.08 4.89 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 94 T 8.62 4.90 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 1.21 0.00 0.00 95 F 8.63 5.35 0.00 2.99 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 96 Y 7.75 4.73 0.00 2.99 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.10 4.21 0.00 1.63 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.54 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 98 M 7.98 4.66 0.00 1.95 1.84 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 99 Q 8.43 4.37 0.00 2.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 100 D 8.66 4.37 0.00 2.65 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 0.00 101 N 8.10 4.48 0.00 2.84 2.93 0.00 0.00 6.07 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 0.00 102 G 8.02 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 0.00 0.00 0.00 *103 K 7.46 4.35 0.00 1.42 1.71 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.00 7.81 104 P 0.00 5.01 0.00 2.06 2.29 0.00 3.72 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 105 V 7.70 3.90 2.08 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 0.76 0.00 0.00 0.93 0.00 0.00 106 E 9.62 4.92 0.00 2.39 2.08 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 2.26 1.86 0.00 107 G 8.40 4.42 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 0.00 108 H 8.55 4.79 0.00 3.42 3.42 0.00 5.29 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 0.00 109 A 7.85 4.80 1.30 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 0.00 0.00 110 S 8.87 4.59 0.00 3.96 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 0.00 111 Q 8.23 5.02 0.00 1.85 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.82 0.00 0.00 0.00 0.00 0.00 2.12 1.92 0.00 112 M 8.62 4.75 0.00 1.75 1.91 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.10 0.00 113 H 8.03 5.03 0.00 3.23 3.33 0.00 5.72 0.00 0.00 0.00 0.00 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *114 Y 8.24 4.29 0.00 2.56 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 0.00 115 E 8.99 4.91 0.00 2.11 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 2.35 2.63 0.00 116 L 8.45 3.83 0.00 1.56 1.78 0.98 0.83 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 0.00 117 A 8.65 3.85 1.25 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 0.00 0.00 118 K 8.31 3.97 0.00 1.79 1.48 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.36 0.99 7.81 119 D 8.46 5.08 0.00 2.65 2.52 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 0.00 120 F 7.76 4.35 0.00 3.14 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 0.00 121 V 8.09 4.88 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 0.61 0.00 0.00 0.97 0.00 0.00 122 V 8.67 4.83 2.08 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 0.90 0.00 0.00 1.09 0.00 0.00 123 L 8.51 5.17 0.00 1.61 1.54 0.81 0.56 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 0.00 124 T 8.22 4.57 4.23 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 1.29 0.00 0.00 125 G 8.78 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 0.00 0.00 0.00 126 N 7.82 5.04 0.00 2.79 2.85 0.00 0.00 6.73 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 0.00 127 A 8.50 4.88 1.31 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 0.00 0.00 128 Y 9.49 5.00 0.00 2.94 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.56 5.13 0.00 1.30 1.48 0.92 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 8.11 4.37 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 131 Q 8.04 4.46 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.85 0.00 0.00 0.00 0.00 0.00 2.18 2.38 0.00 132 V 8.35 4.06 2.08 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 0.83 0.00 0.00 0.93 0.00 0.00 133 D 6.92 4.70 0.00 2.81 2.61 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 0.00 134 S 8.90 4.39 0.00 3.80 3.84 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 0.00 135 N 8.28 4.64 0.00 2.54 2.88 0.00 0.00 5.91 7.27 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 0.00 136 I 8.03 5.50 1.72 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 0.99 -0.01 0.88 0.00 0.00 137 K 8.35 4.91 0.00 1.39 1.61 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.02 7.81 138 G 9.50 4.06 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 0.00 0.00 0.00 139 D 9.55 5.07 0.00 2.91 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 0.00 140 K 7.88 5.32 0.00 1.40 1.65 0.00 1.84 0.00 0.00 1.78 0.00 0.00 2.79 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.35 0.88 7.81 141 I 8.72 5.22 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.58 0.90 0.00 0.00 142 T 8.42 5.48 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 1.35 0.00 0.00 143 Y 8.21 4.60 0.00 2.97 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 0.00 144 L 7.45 4.34 0.00 1.39 1.06 0.86 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 145 V 7.75 3.60 2.08 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 1.08 0.00 0.00 0.93 0.00 0.00 146 K 7.98 4.10 0.00 1.77 1.75 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.00 7.81 147 E 8.08 4.12 0.00 1.98 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 2.23 1.87 0.00 148 Q 7.42 3.39 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.59 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 149 K 7.50 4.75 0.00 1.39 1.64 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 0.99 7.81 150 M 8.22 5.26 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 1.91 0.00 151 Q 8.19 4.60 0.00 1.69 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.23 1.89 0.00 152 A 7.64 5.39 1.10 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 0.00 0.00 153 F 8.93 4.94 0.00 2.90 2.93 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 0.00 154 S 8.65 5.22 0.00 3.33 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.81 4.53 0.00 2.55 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 *156 K 8.35 4.32 0.00 1.77 1.67 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.01 7.81 157 G 9.02 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 K 8.04 4.75 0.00 1.76 1.54 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.20 7.81 159 R 8.22 4.96 0.00 1.78 1.68 0.00 3.17 0.00 0.00 3.15 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.13 0.00 160 V 7.92 4.78 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 1.11 0.00 0.00 0.89 0.00 0.00 161 T 8.09 4.77 4.34 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 1.20 0.00 0.00 162 T 8.28 5.36 4.20 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 1.23 0.00 0.00 163 V 8.00 4.33 2.08 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 0.71 0.00 0.00 0.93 0.00 0.00 164 L 8.30 4.57 0.00 1.61 1.40 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 165 V 8.11 4.26 2.08 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 0.94 0.00 0.00 0.93 0.00 0.00 166 P 0.00 4.50 0.00 2.17 2.06 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.