NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 N 4.7841 8.2676 118.2206 52.6734 39.9242 174.9180 15 S 4.9392 7.6664 115.9814 56.7772 63.6449 171.2382 16 E 4.6537 8.7490 117.4607 56.8250 32.0258 175.2790 17 L 4.6489 7.3031 116.5721 53.0341 43.3148 177.2926 18 L 4.2475 8.9233 122.7137 54.4805 43.5983 178.3467 19 E 3.9948 8.6657 120.7922 59.4542 29.5161 178.7179 20 E 4.0120 8.2245 118.2148 59.7627 29.5259 179.3370 21 Q 4.0331 8.0260 117.3243 58.7007 28.8457 178.5179 22 K 3.9925 8.0038 119.4041 59.8075 32.2237 179.1043 23 Q 4.1555 8.3121 119.5796 59.1087 28.9609 177.9306 24 E 4.0360 8.6128 120.8655 59.3548 29.5923 178.8937 25 I 3.9317 8.1461 120.0424 64.5584 37.2067 177.7690 26 Y 4.6321 8.2995 121.7397 60.3735 38.7045 178.0325 27 E 3.8084 8.5955 119.2045 59.2698 29.3848 178.9766 28 A 4.0743 7.8194 119.4087 55.3051 18.7104 179.1287 29 F 3.8357 8.1799 118.8798 61.6150 39.3824 177.4028 30 S 3.9802 7.9956 114.6915 61.5277 62.2843 176.4967 31 L 3.6593 7.5641 122.0883 56.9233 41.6262 177.5675 32 F 4.8214 7.2258 114.9982 56.9749 39.8347 174.4287 33 D 4.4904 7.3649 120.6705 53.1118 42.2524 176.9579 *35 N 4.6666 8.4119 120.1357 51.9357 40.4054 175.1853 36 N 4.3967 8.0877 113.1312 52.5725 36.9343 173.7642 37 D 4.5042 7.5127 118.9692 52.5249 40.0352 177.1703 38 G 3.2365 7.4675 106.7647 46.8452 0.0000 172.8935 39 F 5.2697 7.2503 113.2121 55.3307 41.2296 173.5896 40 L 4.8866 8.5522 120.4105 52.9179 44.3715 177.0539 41 D 4.8657 8.6145 121.9904 52.1919 43.0054 176.3283 42 Y 4.1160 8.5060 118.6298 61.7241 38.0994 178.3081 43 H 3.8008 7.9282 116.2545 58.7879 28.9362 177.5685 44 E 3.8298 8.2404 120.0750 59.0013 28.9900 179.1800 45 L 3.8831 7.6590 119.7444 57.8424 42.2580 178.3822 46 K 3.8355 7.3065 118.2548 59.9636 32.3427 178.8880 47 V 3.5604 7.0776 110.6525 63.6110 31.2355 178.4402 48 A 4.0075 7.3742 116.9312 53.3953 17.9194 178.6813 *50 K 4.3077 8.0057 122.6074 57.4216 33.9337 177.9383 51 A 4.1172 7.9827 120.7162 54.5523 18.3778 177.9120 52 L 4.2274 7.5850 112.4021 54.6874 41.9006 177.5074 53 G 3.6489 7.9353 107.2604 45.0830 0.0000 173.1411 54 F 5.0229 7.4672 117.7317 55.7179 40.4101 175.7237 55 E 4.5806 8.6502 124.5855 54.4121 30.2295 174.9362 56 L 4.5855 8.0450 122.6167 52.1841 43.7985 175.3289 57 P 4.4431 0.0000 0.0000 62.4746 32.2539 176.9483 58 K 3.9617 8.9966 121.1164 60.3516 31.8279 178.8856 59 R 3.9151 8.1157 117.3406 59.3428 29.8567 178.4496 60 E 3.9367 8.1290 118.4505 59.4481 29.7338 178.9454 61 I 3.7805 7.8137 119.2749 64.5042 37.3732 178.3365 62 L 4.1150 8.2112 119.8217 57.8717 41.4570 179.2675 63 D 4.4128 8.5248 119.3192 57.3096 40.5163 178.6297 64 L 4.1349 8.0127 120.2445 58.0217 42.3616 178.8409 65 I 3.9944 8.0368 119.8992 64.5002 36.4700 177.9935 66 D 4.3987 8.0607 119.3837 57.6468 40.4761 178.6884 67 E 4.1488 8.0316 117.5298 58.8675 29.5405 177.5526 68 Y 4.4771 7.4730 113.8052 57.9140 39.9614 176.1039 69 D 4.6630 8.0151 122.7290 53.1250 39.5434 176.4068 70 S 4.5108 7.9269 111.2582 58.3687 63.4064 175.1962 71 E 4.3078 8.3281 122.5578 55.9517 31.0214 177.0449 72 G 3.8711 8.1613 105.3582 45.1764 0.0000 173.9167 73 R 3.9828 7.9137 119.5759 56.7046 30.4691 176.7931 74 H 4.4304 8.9996 113.1887 56.9844 27.5793 175.2881 75 L 4.7280 6.7898 119.5181 54.6877 41.5226 177.6045 *77 K 4.5396 8.3375 125.9322 57.2060 33.7825 175.3455 78 Y 3.5306 8.2342 125.8264 60.8870 38.2401 178.1967 79 D 4.3513 8.3503 119.2341 57.9373 40.9725 178.9232 80 D 4.3521 8.0963 118.4166 57.0508 40.7185 178.2485 81 F 4.0030 8.2240 120.7821 61.4510 39.4272 176.1931 82 Y 3.9099 7.8695 118.0850 60.6765 38.9789 177.9352 83 I 3.9394 7.4187 120.1917 64.2093 37.2934 178.8889 84 V 3.9620 7.2562 118.1039 62.4092 31.3035 178.2354 *86 G 3.6190 8.0385 108.1014 46.3275 0.0000 175.6145 87 E 3.8845 7.9220 119.7614 58.5763 29.8088 179.5855 88 K 3.9119 7.6458 117.9229 59.3496 32.0038 179.4359 89 I 3.9479 7.6270 119.5412 64.5917 36.9236 178.4096 90 L 4.0988 7.9039 118.2349 57.0314 41.4860 178.7295 91 K 4.3233 7.5488 116.0183 55.3978 32.7029 177.2458 92 R 3.9554 7.3363 119.5405 56.5223 30.5863 176.3322 93 D 4.5097 8.7230 122.1210 53.2264 42.2097 175.1235 94 P 4.2386 0.0000 0.0000 66.0458 31.1942 178.2210 95 L 3.9804 7.8347 119.5769 57.9506 42.1121 178.4203 96 D 4.4114 8.0668 118.8707 57.2281 40.6371 178.5431 97 E 3.9735 7.9828 119.2475 59.4707 29.4234 179.2720 98 I 3.7501 7.6896 119.7129 64.5715 37.0805 178.6753 99 K 4.1133 8.2240 119.0373 59.5484 31.5034 179.6417 100 R 3.9933 8.6569 118.5445 59.3283 29.9950 179.0200 101 A 4.1931 8.5031 120.7601 54.9825 18.2954 179.2274 102 F 3.3499 8.7316 119.6401 61.6707 39.1853 177.4772 103 Q 4.0086 7.8746 116.1219 58.9336 28.5226 178.5506 104 L 4.1231 7.4348 118.9688 57.6706 41.7060 179.2932 105 F 3.9144 8.0125 116.9307 59.9633 40.3148 176.8761 106 D 4.5870 7.8775 118.7902 52.8526 37.2410 175.8855 107 D 4.2265 7.5632 123.6380 57.5128 41.6665 177.0021 108 D 4.4002 7.8890 114.0019 52.7338 40.3715 175.6633 109 H 4.2445 7.6674 116.6180 57.4887 26.1325 174.4974 110 T 4.3040 8.9436 106.8890 61.0599 70.1751 176.9013 111 G 4.1657 9.3428 111.1366 45.1263 0.0000 173.3924 112 K 4.9645 7.3413 116.9157 54.4905 35.9450 176.3993 113 I 4.2015 9.1794 126.0907 60.4925 37.8411 175.9741 114 S 4.6157 9.3122 123.2713 57.5393 64.3021 175.3094 115 I 3.7159 8.5399 120.4331 64.1981 37.5646 178.0726 116 K 4.0540 7.9884 119.2533 59.6053 32.5268 178.6602 117 N 4.2298 7.8189 117.7511 56.2403 38.6078 177.2276 118 L 4.1207 7.8749 119.9786 58.0306 41.7733 179.7201 119 R 3.9605 8.0280 118.4086 58.9761 29.9126 178.6339 120 R 3.7663 7.9745 118.8858 59.2763 30.1757 178.4411 121 V 3.2936 7.3483 117.5989 65.9104 31.2229 177.3974 122 A 3.9949 7.4910 118.7089 55.3745 18.4280 179.2180 123 K 3.9611 7.7422 116.1748 59.9913 31.9849 179.1904 124 E 3.9583 7.7873 116.8780 59.1439 29.5925 178.6416 125 L 4.3993 8.0629 116.6209 54.4181 41.7820 178.0949 126 G 4.0782 8.0388 108.8961 45.5761 0.0000 174.4792 127 E 4.1073 7.3753 117.8635 56.9601 30.0528 176.3524 128 T 4.6353 8.2051 114.4455 60.0956 70.3129 173.0520 129 L 4.8852 8.3867 128.1094 53.4456 43.0973 177.0813 130 T 4.2450 8.4477 113.4977 60.9516 71.1348 175.1913 131 D 4.3784 8.6267 121.4822 57.5809 40.7518 178.9061 132 E 3.9753 8.1999 117.3979 59.6956 29.2438 178.8622 133 E 3.9702 7.5643 117.3631 59.1394 29.6183 179.1588 134 L 4.2242 7.8124 118.1217 57.2879 41.8736 179.4409 135 R 4.1643 8.2820 116.2872 58.9829 29.3425 179.5881 136 A 4.1407 8.0549 120.4110 52.3071 18.5700 179.2097 *138 I 4.1997 7.7689 123.5399 63.0356 39.3601 177.8995 139 E 3.8970 8.9964 120.5110 59.2636 29.5729 177.6964 140 E 3.8993 7.7909 116.7557 58.2092 29.7509 177.2341 141 F 4.7186 7.9156 114.7184 57.6716 41.4471 174.8346 142 D 4.7178 8.4710 120.7371 54.2350 40.7380 175.5464 143 L 4.6275 8.8145 126.4428 55.0485 43.2553 177.9517 144 D 4.3658 8.5049 118.5390 57.2635 40.8905 177.5323 145 G 4.0879 8.2282 104.4322 45.2079 0.0000 173.7629 146 D 4.4206 7.9315 117.8544 53.5821 39.7749 177.1919 147 G 3.9124 8.4679 108.0538 46.0442 0.0000 172.6504 148 E 4.7535 8.4745 117.7878 54.2639 33.3391 175.0827 149 I 5.2256 8.3310 119.6642 58.8659 38.7012 176.1316 150 N 5.2950 8.7568 124.3069 51.6678 40.3682 175.1541 151 E 2.9929 8.2835 119.3911 59.3107 29.4621 178.3859 152 N 4.2892 8.0464 115.9221 56.4154 38.8214 177.0629 153 E 4.0811 8.6883 120.0150 59.4139 29.5404 179.2592 154 F 4.2395 8.5724 121.0804 61.1936 39.3686 177.3384 155 I 3.5188 8.0482 119.4224 64.3060 36.7103 178.1199 156 A 3.9807 7.7381 120.2580 55.2249 18.1859 179.6046 157 I 3.0447 6.8794 116.8272 64.5584 37.2754 178.2017 158 C 4.0008 7.4285 115.0259 60.7180 28.4124 174.0504 159 T 4.3916 7.2306 117.5550 61.9254 69.4080 174.3835 160 D 4.5729 8.4143 125.4293 54.3480 41.6474 176.7050 161 S 4.1919 8.3599 116.9234 58.6690 63.0782 173.7003 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 14 N 8.27 4.78 0.00 3.05 3.12 0.00 0.00 5.86 6.76 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 15 S 7.67 4.94 0.00 4.10 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 16 E 8.75 4.65 0.00 1.89 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 2.18 2.31 0.00 17 L 7.30 4.65 0.00 1.67 1.56 0.80 0.91 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 18 L 8.92 4.25 0.00 1.75 1.72 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.67 3.99 0.00 2.10 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 0.00 2.40 2.49 0.00 20 E 8.22 4.01 0.00 2.12 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 2.42 2.50 0.00 21 Q 8.03 4.03 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 22 K 8.00 3.99 0.00 2.10 2.06 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.62 1.78 7.81 23 Q 8.31 4.16 0.00 2.36 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.70 0.00 24 E 8.61 4.04 0.00 2.29 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 0.00 2.37 2.40 0.00 25 I 8.15 3.93 2.10 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.17 1.04 0.00 0.00 26 Y 8.30 4.63 0.00 3.33 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 27 E 8.60 3.81 0.00 2.21 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 2.40 2.63 0.00 28 A 7.82 4.07 1.63 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 0.00 0.00 29 F 8.18 3.84 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 30 S 8.00 3.98 0.00 3.75 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 31 L 7.56 3.66 0.00 1.55 0.53 0.47 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.23 4.82 0.00 2.83 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 33 D 7.36 4.49 0.00 2.53 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 *35 N 8.41 4.67 0.00 3.10 2.89 0.00 0.00 7.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.09 4.40 0.00 2.78 2.85 0.00 0.00 6.98 7.95 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 37 D 7.51 4.50 0.00 2.62 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 38 G 7.47 3.24 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 0.00 39 F 7.25 5.27 0.00 3.16 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 40 L 8.55 4.89 0.00 1.57 1.46 0.37 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.61 4.87 0.00 2.94 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 42 Y 8.51 4.12 0.00 3.05 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 43 H 7.93 3.80 0.00 3.17 3.23 0.00 5.68 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 44 E 8.24 3.83 0.00 1.95 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 0.00 2.39 2.33 0.00 45 L 7.66 3.88 0.00 1.86 1.72 1.03 0.78 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 46 K 7.31 3.84 0.00 1.22 1.63 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.39 7.81 47 V 7.08 3.56 1.11 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 0.41 0.00 0.00 0.07 0.00 0.00 48 A 7.37 4.01 1.48 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 0.00 0.00 *50 K 8.01 4.31 0.00 1.95 1.91 0.00 1.60 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.50 7.81 51 A 7.98 4.12 1.59 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 0.00 0.00 52 L 7.59 4.23 0.00 1.66 1.54 1.13 1.09 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 53 G 7.94 3.65 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 0.00 0.00 0.00 54 F 7.47 5.02 0.00 3.07 2.88 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 55 E 8.65 4.58 0.00 1.94 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 2.21 2.31 0.00 56 L 8.05 4.59 0.00 1.65 1.63 0.94 1.10 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 57 P 0.00 4.44 0.00 2.24 2.21 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 58 K 9.00 3.96 0.00 1.91 1.88 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.34 1.61 7.81 59 R 8.12 3.92 0.00 1.90 1.99 0.00 3.18 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 60 E 8.13 3.94 0.00 2.20 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 2.32 2.42 0.00 61 I 7.81 3.78 2.27 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 1.70 0.96 1.03 0.00 0.00 62 L 8.21 4.12 0.00 1.82 1.70 0.71 0.75 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 63 D 8.52 4.41 0.00 2.96 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 64 L 8.01 4.13 0.00 1.93 1.91 0.90 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.04 3.99 2.12 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.86 1.05 0.00 0.00 66 D 8.06 4.40 0.00 3.01 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 67 E 8.03 4.15 0.00 2.23 1.72 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 2.31 2.58 0.00 68 Y 7.47 4.48 0.00 3.14 3.27 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 69 D 8.02 4.66 0.00 2.87 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 70 S 7.93 4.51 0.00 4.01 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 71 E 8.33 4.31 0.00 1.91 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 2.19 2.32 0.00 72 G 8.16 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 0.00 0.00 0.00 73 R 7.91 3.98 0.00 2.01 1.75 0.00 3.22 0.00 0.00 3.02 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 74 H 9.00 4.43 0.00 3.31 3.39 0.00 5.67 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 6.79 4.73 0.00 1.48 1.27 0.95 0.96 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 *77 K 8.34 4.54 0.00 2.07 2.01 0.00 1.89 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.62 1.87 7.81 78 Y 8.23 3.53 0.00 2.43 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 79 D 8.35 4.35 0.00 2.79 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 80 D 8.10 4.35 0.00 2.88 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 81 F 8.22 4.00 0.00 3.18 3.09 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 82 Y 7.87 3.91 0.00 2.48 2.88 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 83 I 7.42 3.94 1.86 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 1.66 1.15 0.95 0.00 0.00 84 V 7.26 3.96 1.67 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 0.47 0.00 0.00 0.74 0.00 0.00 *86 G 8.04 3.62 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 0.00 0.00 0.00 87 E 7.92 3.88 0.00 1.88 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 0.00 2.31 2.30 0.00 88 K 7.65 3.91 0.00 1.18 0.74 0.00 0.87 0.00 0.00 0.63 0.00 0.00 2.68 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.04 1.24 7.81 89 I 7.63 3.95 2.01 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 1.87 0.78 0.94 0.00 0.00 90 L 7.90 4.10 0.00 1.73 1.72 0.89 0.83 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 91 K 7.55 4.32 0.00 1.94 1.83 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.44 7.81 92 R 7.34 3.96 0.00 2.01 1.93 0.00 3.33 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 93 D 8.72 4.51 0.00 2.80 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 94 P 0.00 4.24 0.00 2.28 2.29 0.00 3.75 0.00 0.00 3.83 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 95 L 7.83 3.98 0.00 1.77 1.91 0.90 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.07 4.41 0.00 2.89 2.72 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 97 E 7.98 3.97 0.00 2.13 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 2.51 2.51 0.00 98 I 7.69 3.75 1.99 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 1.68 0.91 0.79 0.00 0.00 99 K 8.22 4.11 0.00 1.99 1.90 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.64 7.81 100 R 8.66 3.99 0.00 2.05 2.03 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 101 A 8.50 4.19 1.67 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 0.00 102 F 8.73 3.35 0.00 3.24 3.27 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 0.00 103 Q 7.87 4.01 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.54 2.62 0.00 104 L 7.43 4.12 0.00 1.93 1.67 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.01 3.91 0.00 2.63 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 0.00 106 D 7.88 4.59 0.00 2.07 2.28 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 0.00 107 D 7.56 4.23 0.00 2.53 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 0.00 108 D 7.89 4.40 0.00 2.74 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 0.00 109 H 7.67 4.24 0.00 3.26 3.35 0.00 5.82 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 8.94 4.30 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 1.26 0.00 0.00 111 G 9.34 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 0.00 112 K 7.34 4.96 0.00 1.69 1.74 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.51 7.81 113 I 9.18 4.20 1.77 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.66 0.90 0.00 0.00 114 S 9.31 4.62 0.00 3.87 4.10 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 0.00 115 I 8.54 3.72 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 1.71 1.22 0.92 0.00 0.00 116 K 7.99 4.05 0.00 2.00 2.04 0.00 1.54 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 117 N 7.82 4.23 0.00 3.02 3.00 0.00 0.00 6.95 7.41 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 0.00 118 L 7.87 4.12 0.00 1.95 1.80 0.98 1.01 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 0.00 119 R 8.03 3.96 0.00 2.10 1.92 0.00 3.15 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 120 R 7.97 3.77 0.00 2.05 1.96 0.00 3.08 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 121 V 7.35 3.29 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 0.62 0.00 0.00 0.04 0.00 0.00 122 A 7.49 3.99 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 0.00 123 K 7.74 3.96 0.00 1.99 1.86 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.48 7.81 124 E 7.79 3.96 0.00 2.08 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 0.00 2.29 2.29 0.00 125 L 8.06 4.40 0.00 1.69 1.68 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.04 4.08 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 0.00 0.00 0.00 127 E 7.38 4.11 0.00 1.94 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 2.37 2.44 0.00 128 T 8.21 4.64 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 1.22 0.00 0.00 129 L 8.39 4.89 0.00 1.75 1.76 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 130 T 8.45 4.24 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 1.22 0.00 0.00 131 D 8.63 4.38 0.00 2.75 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 0.00 132 E 8.20 3.98 0.00 2.17 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 0.00 2.38 2.37 0.00 133 E 7.56 3.97 0.00 2.27 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 0.00 2.37 2.38 0.00 134 L 7.81 4.22 0.00 1.81 1.76 0.95 1.03 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 0.00 135 R 8.28 4.16 0.00 2.06 2.20 0.00 2.80 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.72 0.00 136 A 8.05 4.14 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 *138 I 7.77 4.20 2.07 0.00 0.00 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 1.45 0.57 0.95 0.00 0.00 139 E 9.00 3.90 0.00 1.89 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 0.00 2.31 2.27 0.00 140 E 7.79 3.90 0.00 1.95 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 1.72 1.47 0.00 141 F 7.92 4.72 0.00 3.06 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 0.00 142 D 8.47 4.72 0.00 2.77 2.86 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 0.00 143 L 8.81 4.63 0.00 1.68 1.69 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.50 4.37 0.00 3.00 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 0.00 145 G 8.23 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 0.00 146 D 7.93 4.42 0.00 2.82 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 0.00 147 G 8.47 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 0.00 0.00 0.00 148 E 8.47 4.75 0.00 2.17 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 2.24 2.45 0.00 149 I 8.33 5.23 1.95 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 1.09 0.72 1.10 0.00 0.00 150 N 8.76 5.30 0.00 3.02 3.04 0.00 0.00 5.84 7.66 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 0.00 151 E 8.28 2.99 0.00 1.16 1.60 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 2.05 1.56 0.00 152 N 8.05 4.29 0.00 2.97 2.85 0.00 0.00 7.12 7.66 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 0.00 153 E 8.69 4.08 0.00 2.29 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 2.56 2.47 0.00 154 F 8.57 4.24 0.00 3.35 3.28 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 0.00 155 I 8.05 3.52 2.00 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 1.42 0.62 0.86 0.00 0.00 156 A 7.74 3.98 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 0.00 157 I 6.88 3.04 1.49 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 -0.36 0.47 0.00 0.00 158 C 7.43 4.00 0.00 2.56 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 0.00 159 T 7.23 4.39 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 1.18 0.00 0.00 160 D 8.41 4.57 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 0.00 161 S 8.36 4.19 0.00 3.93 3.77 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 * Residues marked with a * may have inaccurate shift predictions.