NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 26 S 4.3892 8.4345 116.7957 59.2982 63.9106 174.6442 27 T 4.3355 8.6262 120.2792 61.5633 68.2957 170.3200 28 R 4.7559 8.0855 120.9037 57.6146 31.6126 179.4792 29 R 4.7102 7.8609 116.8782 54.7048 32.2543 178.0790 30 V 3.8498 8.2967 122.9243 61.3462 32.3277 176.0691 31 S 4.4673 8.5051 122.0976 57.7973 64.0309 175.6227 32 V 3.6141 8.3942 119.8229 64.9441 31.0894 178.1651 33 R 4.0591 8.0158 119.3790 59.1578 29.9379 177.9715 34 D 4.3839 8.3273 118.6161 57.4282 39.4947 178.7538 35 K 3.9070 7.9869 118.6561 59.6208 32.0129 179.3745 36 L 4.1625 7.8609 118.8185 57.9728 41.6747 179.6064 37 L 4.0636 8.2910 119.2487 57.5503 41.6183 179.5931 38 V 3.5317 8.1220 118.6925 65.9865 31.2964 178.0837 39 K 3.9682 7.5406 119.0874 59.6205 31.8579 178.7226 40 E 4.0470 8.1158 117.8353 59.3305 29.7116 179.1814 41 V 3.6849 8.4726 118.5014 65.8651 31.3723 177.8627 42 A 3.9756 7.6943 119.4305 54.6203 17.7363 178.5058 43 E 4.3287 7.9286 114.0763 56.8657 30.3097 178.2369 44 L 3.9459 7.6557 122.6677 58.5227 42.0425 178.3492 45 E 3.9772 8.0896 117.1531 59.0759 29.7837 178.0552 46 A 4.2717 7.4688 116.2851 53.8080 18.3861 177.6124 47 N 5.1305 7.5339 113.2285 52.8818 39.6044 174.7836 48 L 4.2062 7.9156 117.7664 53.5498 42.6051 175.3305 49 P 3.8419 0.0000 0.0000 62.3456 31.7505 177.0378 50 C 3.8377 8.7499 122.0845 62.9345 31.5315 174.8044 51 T 4.1764 7.7459 107.0077 62.5043 68.8124 173.1665 52 C 5.4766 7.7854 119.6651 58.3173 31.4628 173.3504 53 K 4.7741 8.7918 119.1447 55.0451 36.7663 175.4111 54 V 4.9313 8.3294 120.8792 61.5647 34.8122 174.1723 55 H 4.9258 9.5838 126.4616 54.6712 33.3924 171.9779 56 F 4.8815 8.6466 124.2796 55.0082 39.3601 174.2587 57 P 4.2077 0.0000 0.0000 64.5508 31.2889 176.5420 58 D 4.7935 7.8304 117.6546 51.4542 43.1923 174.3538 59 P 4.4043 0.0000 0.0000 65.2846 31.7707 177.3850 60 N 4.5223 8.2860 116.5985 55.8848 38.5504 176.3155 61 K 4.4268 7.7352 118.1499 55.5230 30.1167 177.4851 62 L 4.3336 7.9711 120.9798 57.0379 42.4683 177.3322 63 H 4.8960 8.2213 114.5162 55.4152 29.9044 174.3653 64 C 4.9836 8.0081 118.7546 59.2242 34.2509 172.8533 65 F 4.6784 8.1860 120.5803 55.9644 41.5267 172.8074 66 Q 5.0978 9.3427 118.0850 53.9689 32.1258 174.6308 67 L 5.3502 9.2163 124.4221 53.6618 45.5987 174.9985 68 T 5.1334 8.9918 122.7609 61.9081 71.1508 173.1770 69 V 4.6559 9.1106 127.3198 61.6886 33.6532 174.6107 70 T 4.9072 8.6722 125.4031 59.7440 69.5220 172.0969 71 P 4.3714 0.0000 0.0000 62.7279 32.0893 176.8939 72 D 4.9136 8.4876 119.7289 52.9454 39.8822 175.1115 73 E 4.5155 8.0268 116.4622 56.7657 32.2840 175.0699 74 G 3.8605 8.5512 107.5751 44.7418 0.0000 173.5637 75 Y 4.3752 8.3472 114.9975 60.8183 37.8739 177.1028 76 Y 4.8208 8.0814 115.3459 57.4472 38.4591 174.7637 77 Q 4.1948 7.7948 121.7657 58.1319 29.3329 175.7427 78 G 4.1379 8.8832 113.3484 45.4950 0.0000 174.2536 79 G 3.5829 7.7532 107.4134 45.7130 0.0000 171.8981 80 K 4.6040 7.7761 119.8520 54.1070 34.6406 175.8756 81 F 4.7429 8.9861 123.3279 55.8109 42.2683 174.0502 82 Q 5.0163 9.4726 124.5229 54.7942 30.7020 175.0715 83 F 5.1587 9.6367 121.6406 55.6370 43.2484 173.3358 84 E 4.9998 9.3842 124.6402 54.5994 31.6605 174.5417 85 T 4.8717 8.0075 116.6264 59.6557 72.0318 172.3345 86 E 4.7569 9.1286 125.7091 54.4289 32.8338 174.5450 87 V 4.4306 8.2888 121.0651 58.9313 32.1768 174.6303 88 P 4.4412 0.0000 0.0000 62.3779 31.9169 176.9258 89 D 4.3721 8.7709 119.2934 57.2559 40.9326 177.3297 90 A 4.6013 7.6763 122.6928 51.6446 18.9423 176.2725 91 Y 4.4643 7.4329 121.8498 59.3173 39.9365 175.2003 92 N 4.6118 8.4799 123.5513 52.8083 37.1437 175.9598 93 M 4.3146 7.7008 116.8698 56.2358 33.2028 176.3892 94 V 4.3640 7.4311 117.6606 59.7506 34.3546 173.2393 95 P 2.9700 0.0000 0.0000 60.9588 31.8397 174.2240 96 P 4.2923 0.0000 0.0000 62.5900 32.2316 176.2774 97 K 4.1710 8.8068 123.3989 56.2297 33.2444 176.2034 98 V 4.7755 8.2864 124.1508 60.8725 34.3093 174.2943 99 K 4.8004 9.3810 128.8015 54.7514 35.6838 173.9616 100 C 4.7282 9.2059 126.8170 58.2832 32.9161 173.7434 101 L 4.5360 8.8706 124.6521 54.9948 42.7707 176.3538 102 T 4.4348 7.4853 116.1887 61.2610 69.5530 174.7549 103 K 4.0725 8.5436 128.3712 56.7736 32.7065 175.5757 104 I 4.9565 8.2800 124.0450 59.8335 40.8092 174.0447 105 W 4.8505 8.9241 135.0000 56.2075 29.8745 174.3175 106 H 5.1481 8.1002 123.5775 53.6217 32.6088 172.6661 107 P 4.1745 0.0000 0.0000 64.8393 31.6168 177.1266 108 N 4.8202 8.1885 114.1189 52.6332 40.1455 173.6678 109 I 4.8462 7.0732 119.3627 59.3343 40.0513 175.6331 110 T 4.2920 8.6012 116.0717 60.6651 69.8023 175.4772 111 E 4.0742 8.9174 122.1768 59.7654 29.4865 178.4721 112 T 4.1371 7.8377 105.5774 61.8316 69.6079 175.1817 113 G 4.2851 8.3541 111.1412 46.6526 0.0000 172.9721 114 E 4.5481 8.2337 120.3993 55.2048 30.5841 175.0550 115 I 4.7923 9.0387 125.6943 59.7806 40.0673 175.4983 116 C 4.4846 9.0606 128.0087 57.5522 31.3631 171.2986 117 L 4.6880 7.9440 125.9409 52.5970 44.1785 176.7414 118 S 4.1426 8.9251 122.1534 61.2376 63.1406 176.0990 119 L 4.1436 8.0406 121.4134 57.1850 41.7667 177.0575 120 L 4.5056 8.0076 116.5788 54.9616 42.3478 176.6307 121 R 4.2794 8.0108 119.5149 55.2808 31.3574 174.9839 122 E 4.7039 8.5004 120.9529 55.5071 29.4970 176.5348 *123 H 4.1833 9.0197 124.0007 55.9160 29.3187 172.1160 124 S 4.8778 8.3941 126.7694 57.5057 60.6585 172.6275 125 I 3.8920 9.0626 118.5580 64.9037 35.3272 178.5785 126 D 4.7404 7.9150 123.4441 52.6044 37.1793 178.8419 127 G 3.9253 8.3273 109.3795 46.3476 0.0000 171.7247 128 T 4.3358 8.3906 108.6997 61.2953 69.4595 176.0301 129 G 4.0491 7.5512 110.2075 45.8570 0.0000 173.3884 130 W 4.6608 8.9840 130.7223 57.8055 31.5935 176.7939 131 A 4.4280 6.5256 124.6110 49.7454 21.6207 175.5462 132 P 4.7305 0.0000 0.0000 65.0001 31.4995 177.9053 133 T 3.9732 7.4405 105.8367 62.6677 69.0816 174.5379 134 R 4.6476 7.3421 122.2069 54.7697 31.0450 175.5375 135 T 5.1062 8.1835 110.6334 59.1968 72.2177 174.7324 136 L 4.2138 9.2819 121.1310 57.9267 41.5191 179.5583 137 K 4.0266 8.3416 119.0605 59.9012 32.1391 178.2269 138 D 4.4880 8.0669 118.5173 57.4085 40.7059 178.9025 139 V 3.7301 8.0347 118.2028 66.0480 31.5270 178.0336 140 V 3.5595 7.8900 117.7421 65.9855 31.5291 178.0468 141 W 4.0929 8.3774 118.4350 59.4641 28.5770 178.8334 142 G 3.6339 8.0703 105.0479 47.8965 0.0000 175.4668 143 L 3.9146 8.1577 122.5327 57.2115 41.0264 179.0176 144 N 4.3960 8.3567 117.2611 57.0337 38.7697 177.0050 145 S 4.7411 8.0718 116.9642 60.4402 62.6671 176.2102 146 L 3.8232 7.5972 121.0211 56.5634 41.2876 178.1013 147 F 4.7370 7.6293 114.9675 55.6870 39.9054 175.8588 148 T 4.3952 7.9960 105.9081 61.8862 69.0598 175.5143 149 D 4.3992 9.4581 122.2517 55.0538 40.7023 177.7746 150 L 4.3953 7.9187 118.7380 54.1724 41.6378 176.1167 151 L 4.2787 7.3900 122.0490 54.0438 41.3151 175.8037 152 N 4.8990 8.6739 123.4131 51.1999 39.9371 174.5900 153 F 4.4316 8.8238 118.8792 57.6468 39.7186 175.1777 154 D 4.5887 7.9665 121.7432 54.0576 41.9482 176.0148 155 D 4.2750 8.6878 124.7310 54.6722 39.2573 170.4611 156 P 4.5231 0.0000 0.0000 62.3862 33.0468 175.8887 157 L 4.1793 8.6138 119.9122 56.2163 42.4319 176.2023 158 N 4.6255 7.5706 117.6475 52.0624 38.4411 174.8752 159 I 3.7379 7.9534 128.9767 63.8674 37.3259 177.4725 160 E 4.1558 8.2545 119.6806 59.2470 29.4636 178.6625 161 A 3.7156 8.0195 120.5296 54.8821 18.2365 179.3909 162 A 4.1448 7.6611 118.8494 55.4402 18.4063 179.5617 163 E 3.9033 8.4928 117.3271 59.8627 29.5272 179.1302 164 H 4.3421 8.6219 118.3259 59.7800 29.8474 176.7382 165 H 3.5141 8.1609 118.9746 58.7284 29.4528 176.7092 166 L 3.8503 7.6054 121.5169 58.1962 42.0689 178.9749 167 R 4.2976 7.9042 116.6810 58.0857 31.0307 176.9595 168 D 4.5783 8.2705 120.1824 51.3543 42.3915 175.0680 169 K 3.7808 8.5368 125.1248 59.1083 32.0688 178.0679 170 E 3.9052 8.1501 118.8436 59.4304 29.7141 178.2700 171 D 4.3410 8.1230 118.1037 56.8770 41.1797 177.8349 172 F 3.8393 8.4061 121.7588 61.3694 39.4012 177.2725 173 R 3.5592 8.1028 117.5403 59.3092 29.7569 178.8349 174 N 4.3538 7.8641 116.1652 55.9901 38.4121 177.4421 175 K 3.7011 7.9036 121.0509 59.2865 32.1820 178.8608 176 V 3.5271 7.4123 118.5775 66.3417 31.2833 177.7739 177 D 4.3606 8.4978 118.7552 57.3120 40.7084 178.3061 178 D 4.3070 8.3689 118.7885 57.5659 41.1670 177.9576 179 Y 4.2492 8.5298 117.4713 61.1296 37.8873 178.4570 180 I 3.8348 8.3078 121.0129 64.4708 37.0742 178.4929 181 K 3.9027 8.1336 119.0796 59.0804 31.9938 178.4330 182 R 3.9103 7.3332 117.1461 57.4776 30.4317 176.7410 183 Y 4.8035 7.9285 112.5227 57.5730 39.9526 175.6641 184 A 4.6076 8.3250 123.2173 51.7661 19.9567 176.0973 185 R 4.0998 8.0880 125.1581 57.9588 30.2966 175.4027 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 26 S 8.43 4.39 0.00 3.88 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 27 T 8.63 4.34 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 28 R 8.09 4.76 0.00 1.78 1.77 0.00 3.18 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.14 0.00 29 R 7.86 4.71 0.00 1.79 1.70 0.00 3.23 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.14 0.00 30 V 8.30 3.85 2.10 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 0.99 0.00 0.00 0.94 0.00 0.00 31 S 8.51 4.47 0.00 4.07 4.03 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 32 V 8.39 3.61 2.11 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 0.89 0.00 0.00 0.96 0.00 0.00 33 R 8.02 4.06 0.00 2.16 2.04 0.00 3.33 0.00 0.00 3.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.94 0.00 34 D 8.33 4.38 0.00 2.79 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 7.99 3.91 0.00 2.12 1.91 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.65 7.81 36 L 7.86 4.16 0.00 2.08 2.10 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.29 4.06 0.00 1.86 1.76 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.12 3.53 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 0.98 0.00 0.00 0.97 0.00 0.00 39 K 7.54 3.97 0.00 2.06 2.02 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.56 7.81 40 E 8.12 4.05 0.00 2.08 2.10 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 2.46 2.64 0.00 41 V 8.47 3.68 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 0.52 0.00 0.00 1.03 0.00 0.00 42 A 7.69 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.93 4.33 0.00 2.17 2.21 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 2.56 2.34 0.00 44 L 7.66 3.95 0.00 2.03 1.81 0.91 0.48 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 45 E 8.09 3.98 0.00 2.01 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 2.31 2.39 0.00 46 A 7.47 4.27 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 47 N 7.53 5.13 0.00 2.89 2.96 0.00 0.00 7.01 7.85 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 48 L 7.92 4.21 0.00 1.61 1.49 0.96 1.03 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 49 P 0.00 3.84 0.00 1.66 1.04 0.00 3.10 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.44 0.00 50 C 8.75 3.84 0.00 2.93 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 51 T 7.75 4.18 4.32 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 1.20 0.00 0.00 52 C 7.79 5.48 0.00 2.81 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 53 K 8.79 4.77 0.00 1.65 1.65 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.52 7.81 54 V 8.33 4.93 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 0.78 0.00 0.00 0.85 0.00 0.00 55 H 9.58 4.93 0.00 3.18 3.09 0.00 5.60 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.65 4.88 0.00 2.97 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 57 P 0.00 4.21 0.00 2.06 2.18 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 58 D 7.83 4.79 0.00 2.53 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.19 2.15 0.00 3.84 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 1.99 1.99 0.00 60 N 8.29 4.52 0.00 2.78 2.93 0.00 0.00 7.02 7.72 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 61 K 7.74 4.43 0.00 1.89 1.61 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.53 1.44 7.81 62 L 7.97 4.33 0.00 1.70 1.77 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.22 4.90 0.00 3.37 3.51 0.00 5.48 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 C 8.01 4.98 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 65 F 8.19 4.68 0.00 2.14 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.34 5.10 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.79 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 67 L 9.22 5.35 0.00 1.93 1.63 1.05 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.99 5.13 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 1.20 0.00 0.00 69 V 9.11 4.66 2.26 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 0.95 0.00 0.00 1.05 0.00 0.00 70 T 8.67 4.91 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 1.23 0.00 0.00 71 P 0.00 4.37 0.00 2.43 2.08 0.00 3.79 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.67 0.00 72 D 8.49 4.91 0.00 2.77 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 73 E 8.03 4.52 0.00 2.10 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 0.00 2.25 2.36 0.00 74 G 8.55 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 0.00 0.00 0.00 75 Y 8.35 4.38 0.00 2.56 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 76 Y 8.08 4.82 0.00 3.28 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 7.79 4.19 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.51 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 78 G 8.88 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 7.75 3.58 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 0.00 0.00 0.00 80 K 7.78 4.60 0.00 1.36 1.54 0.00 1.54 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 1.22 7.81 81 F 8.99 4.74 0.00 2.92 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 82 Q 9.47 5.02 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 83 F 9.64 5.16 0.00 2.91 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 84 E 9.38 5.00 0.00 1.92 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 2.09 2.08 0.00 85 T 8.01 4.87 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 0.79 0.00 0.00 86 E 9.13 4.76 0.00 1.88 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 87 V 8.29 4.43 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.74 0.00 0.00 88 P 0.00 4.44 0.00 2.22 2.16 0.00 3.69 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 2.09 1.94 0.00 89 D 8.77 4.37 0.00 2.69 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.68 4.60 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 7.43 4.46 0.00 3.09 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 92 N 8.48 4.61 0.00 2.59 2.46 0.00 0.00 6.80 7.65 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 93 M 7.70 4.31 0.00 2.06 2.18 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 2.57 2.47 0.00 94 V 7.43 4.36 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 0.92 0.00 0.00 0.93 0.00 0.00 95 P 0.00 2.97 0.00 1.72 1.15 0.00 3.70 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.96 0.00 96 P 0.00 4.29 0.00 1.83 1.87 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 97 K 8.81 4.17 0.00 1.70 1.66 0.00 1.57 0.00 0.00 1.51 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.47 7.81 98 V 8.29 4.78 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 0.84 0.00 0.00 0.84 0.00 0.00 99 K 9.38 4.80 0.00 1.76 1.56 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.44 7.81 100 C 9.21 4.73 0.00 2.95 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 0.00 101 L 8.87 4.54 0.00 1.41 1.61 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 102 T 7.49 4.43 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 1.37 0.00 0.00 103 K 8.54 4.07 0.00 1.29 1.05 0.00 0.96 0.00 0.00 0.61 0.00 0.00 2.62 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.26 1.36 7.81 104 I 8.28 4.96 2.23 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.19 0.99 0.00 0.00 105 W 8.92 4.85 0.00 2.63 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 H 8.10 5.15 0.00 3.11 3.12 0.00 5.96 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.17 0.00 2.04 2.01 0.00 3.15 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.44 0.00 108 N 8.19 4.82 0.00 2.62 2.72 0.00 0.00 6.93 7.60 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 0.00 109 I 7.07 4.85 1.57 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.21 0.83 0.00 0.00 110 T 8.60 4.29 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 1.18 0.00 0.00 111 E 8.92 4.07 0.00 2.11 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 0.00 2.95 2.68 0.00 112 T 7.84 4.14 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 1.21 0.00 0.00 113 G 8.35 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.23 4.55 0.00 2.06 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 2.26 2.30 0.00 115 I 9.04 4.79 1.87 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.84 0.86 0.00 0.00 116 C 9.06 4.48 0.00 2.86 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 0.00 117 L 7.94 4.69 0.00 1.71 1.46 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.93 4.14 0.00 4.06 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 0.00 119 L 8.04 4.14 0.00 1.70 1.84 1.07 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.01 4.51 0.00 1.87 1.67 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 121 R 8.01 4.28 0.00 1.97 1.90 0.00 3.12 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 122 E 8.50 4.70 0.00 1.96 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 2.27 2.42 0.00 *123 H 9.02 4.18 0.00 2.93 2.91 0.00 7.19 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.39 4.88 0.00 3.62 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 0.00 125 I 9.06 3.89 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 1.27 1.10 0.91 0.00 0.00 126 D 7.92 4.74 0.00 2.60 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 0.00 127 G 8.33 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 0.00 128 T 8.39 4.34 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 1.20 0.00 0.00 129 G 7.55 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 W 8.98 4.66 0.00 3.46 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 0.00 131 A 6.53 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.73 0.00 1.95 2.08 0.00 3.58 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.12 0.00 133 T 7.44 3.97 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 1.10 0.00 0.00 134 R 7.34 4.65 0.00 0.67 1.40 0.00 3.06 0.00 0.00 3.02 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.86 0.00 135 T 8.18 5.11 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 1.26 0.00 0.00 136 L 9.28 4.21 0.00 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0.00 0.00 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 S 8.07 4.74 0.00 4.16 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 0.00 146 L 7.60 3.82 0.00 1.12 1.03 0.69 0.56 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 0.00 147 F 7.63 4.74 0.00 3.07 3.18 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 0.00 148 T 8.00 4.40 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 149 D 9.46 4.40 0.00 2.81 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 0.00 150 L 7.92 4.40 0.00 1.61 1.65 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 151 L 7.39 4.28 0.00 1.72 1.77 0.70 0.94 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 0.00 152 N 8.67 4.90 0.00 2.78 2.65 0.00 0.00 6.98 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 0.00 153 F 8.82 4.43 0.00 3.02 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 0.00 154 D 7.97 4.59 0.00 2.67 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 0.00 155 D 8.69 4.27 0.00 2.77 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 0.00 156 P 0.00 4.52 0.00 2.36 1.99 0.00 3.80 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 157 L 8.61 4.18 0.00 1.51 1.65 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 158 N 7.57 4.63 0.00 2.66 2.63 0.00 0.00 7.23 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 0.00 159 I 7.95 3.74 1.88 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 1.53 0.40 0.93 0.00 0.00 160 E 8.25 4.16 0.00 2.15 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 2.64 2.54 0.00 161 A 8.02 3.72 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 A 7.66 4.14 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 E 8.49 3.90 0.00 2.36 2.10 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 2.36 2.36 0.00 164 H 8.62 4.34 0.00 3.77 4.07 0.00 5.61 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 0.00 165 H 8.16 3.51 0.00 1.43 2.60 0.00 5.83 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 L 7.61 3.85 0.00 1.76 1.75 0.81 1.20 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 0.00 167 R 7.90 4.30 0.00 1.96 2.00 0.00 3.25 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 168 D 8.27 4.58 0.00 2.65 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 0.00 169 K 8.54 3.78 0.00 1.79 1.80 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.67 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.25 1.34 7.81 170 E 8.15 3.91 0.00 2.03 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 2.37 0.00 171 D 8.12 4.34 0.00 2.92 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 0.00 172 F 8.41 3.84 0.00 2.99 3.02 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 0.00 173 R 8.10 3.56 0.00 1.98 1.86 0.00 3.27 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.82 0.00 174 N 7.86 4.35 0.00 2.80 2.82 0.00 0.00 6.67 8.78 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 0.00 175 K 7.90 3.70 0.00 1.58 1.56 0.00 1.09 0.00 0.00 0.89 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.68 7.81 176 V 7.41 3.53 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 0.84 0.00 0.00 0.39 0.00 0.00 177 D 8.50 4.36 0.00 2.91 2.69 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 0.00 178 D 8.37 4.31 0.00 2.83 2.91 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 0.00 179 Y 8.53 4.25 0.00 3.42 3.32 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 0.00 180 I 8.31 3.83 2.11 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.03 0.93 0.00 0.00 181 K 8.13 3.90 0.00 1.87 1.91 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.44 7.81 182 R 7.33 3.91 0.00 0.67 0.66 0.00 2.79 0.00 0.00 2.86 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.56 0.00 183 Y 7.93 4.80 0.00 2.90 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 0.00 184 A 8.33 4.61 1.07 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 0.00 0.00 185 R 8.09 4.10 0.00 1.78 1.71 0.00 3.39 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.