NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 L 4.3991 8.1849 120.6334 54.3036 43.9053 176.6546 14 E 4.6591 7.9820 117.6392 53.3607 33.2303 171.3834 15 E 4.5411 9.7627 121.2371 56.2758 31.3618 175.9605 16 Y 4.0702 8.0505 117.2294 60.3617 38.5079 175.0189 17 A 4.5880 7.5752 119.6086 50.4698 22.0925 175.7801 18 S 4.1113 8.6088 114.5302 58.3832 63.1797 175.4323 19 A 4.0510 8.8840 130.2691 54.9154 18.1147 178.9465 20 E 4.3881 7.7860 118.2531 60.6849 29.4093 183.9218 21 D 4.7438 8.4017 120.7794 57.4338 40.0064 181.0301 22 I 4.3219 7.6397 124.2331 66.2888 36.0902 183.3909 23 S 4.4835 8.6470 123.3660 63.7878 61.8558 179.4449 24 R 4.2233 7.9855 121.9815 60.9301 29.5786 181.1086 25 V 4.1773 7.0971 112.8297 65.2000 31.9635 178.2155 26 R 4.0618 7.9943 117.9171 58.8990 29.5980 178.6519 27 A 4.0344 7.9950 120.4161 54.1048 18.4058 177.9709 28 E 4.5303 7.2054 109.6203 55.8209 30.0996 175.6057 29 L 4.4027 7.5052 119.3096 54.7440 42.4277 176.6787 30 L 4.4274 8.4026 122.5785 55.2042 43.3387 176.3724 31 T 4.2460 7.7791 112.5060 62.4567 68.9311 173.7399 32 C 4.2375 8.6666 123.5642 60.2715 25.6971 173.0654 33 P 4.3128 0.0000 0.0000 65.1402 31.5229 177.3693 34 E 4.4786 7.8807 115.8883 55.5178 29.9898 175.6181 35 L 3.7852 7.4130 121.8566 54.7914 42.6250 176.3240 36 N 4.3759 8.5295 123.7517 53.8660 38.4363 175.0849 37 T 4.2023 8.3790 121.1123 63.5695 67.7887 175.5241 38 S 4.5986 7.9182 113.7600 59.2021 63.7161 174.3014 39 L 4.5139 7.9126 119.8418 54.7486 43.6973 176.8427 40 A 4.5253 8.2547 119.1172 51.3462 20.3411 176.3253 41 G 4.3042 8.2415 101.0876 44.9350 0.0000 172.7597 42 T 4.7302 8.4197 114.2615 61.4311 71.1664 173.8861 43 I 4.2311 8.2174 126.7547 61.3051 37.3226 175.5259 44 I 4.4475 8.7033 125.5576 61.0844 40.3539 174.9370 45 E 4.8040 7.6716 120.1038 55.4035 32.7303 173.7258 46 I 5.0542 8.1445 125.1274 60.0576 41.8785 173.0244 47 D 4.4772 9.0933 125.4513 53.1915 44.5705 174.4986 48 K 4.0628 8.7007 119.9407 58.2186 32.1505 176.6441 49 N 4.4328 9.3226 119.2328 53.8885 36.3090 172.5591 50 Y 5.2811 8.0768 118.3302 56.5086 42.7162 173.5275 51 A 4.6555 7.5400 125.4507 50.5770 23.4484 174.9572 52 K 4.8956 8.8551 121.2416 54.6427 35.9268 175.3260 53 S 5.0319 8.9297 120.1204 56.9827 67.4760 172.4492 54 I 4.9258 8.5870 119.6493 59.3299 41.1687 174.5583 55 L 4.7603 8.9025 128.6413 53.2570 44.2924 174.7707 56 I 4.4775 8.2160 127.7929 59.9367 38.8355 175.3096 57 T 4.2421 8.2620 120.5689 61.8122 69.7753 173.9229 58 T 4.6926 8.0933 113.3720 59.2961 72.0348 174.7346 59 S 4.3245 8.4676 115.6722 60.6425 63.0382 174.7732 60 E 4.1371 7.2384 120.1825 56.6316 28.9567 177.0792 *62 V 4.0970 7.6506 110.1453 61.4708 32.8147 175.7336 63 A 4.4020 9.2453 125.7300 53.3937 19.6350 176.4548 64 D 4.6434 7.5554 112.8764 52.7911 41.9392 174.5737 65 D 4.7106 8.6279 117.9306 53.9158 39.4254 176.6495 66 Q 4.3362 8.9142 118.0808 56.0048 29.5579 176.4924 67 G 3.9266 8.2336 107.0997 44.6593 0.0000 172.6596 68 L 4.3835 7.9652 122.7913 55.0962 43.1688 175.5596 69 I 4.6154 8.1289 127.4987 59.7559 38.7483 175.6181 70 F 4.4114 9.1491 129.4961 58.6474 39.8469 175.7033 71 D 4.2412 8.4716 125.6569 57.2805 40.4625 178.6977 72 A 3.8942 6.7242 120.6861 54.8897 18.2847 179.4487 73 F 4.2502 7.9946 116.4258 60.3750 38.8747 177.8517 74 I 3.7747 7.8638 113.2712 63.6587 37.5233 177.9560 75 F 3.8185 8.2828 121.7666 60.9597 39.2424 176.6365 76 A 4.0110 8.7020 120.4882 55.2627 18.1951 179.4904 77 A 4.6123 8.3068 120.2453 54.7957 18.4213 179.6505 78 A 3.7709 7.7733 119.3671 55.1404 18.3530 179.3141 79 N 3.9614 8.0852 115.7816 56.8227 38.9402 176.4770 80 Y 4.2791 8.0569 120.9966 60.8858 39.0115 178.2618 81 V 3.2713 7.8588 119.9017 64.5001 31.0234 178.0164 82 A 3.9078 8.0628 121.4134 55.1812 18.1676 179.6112 83 Q 3.7940 8.0977 116.2654 59.0978 28.5378 179.0028 84 A 3.9266 7.8467 121.2729 54.9539 18.3822 179.5448 85 S 4.2835 7.8203 112.5052 60.9795 63.0920 175.9737 86 I 4.0136 7.2716 115.0636 60.2709 38.8630 175.0687 87 N 4.0593 8.1357 118.3139 54.2090 37.7318 173.6076 88 K 4.5022 7.5266 115.0755 54.6876 34.3908 177.1284 89 E 3.9299 8.5762 122.3143 57.9779 29.7382 176.5501 90 F 5.0100 7.7417 118.9021 55.5874 40.7377 174.4357 91 S 5.1952 8.3569 116.6085 56.9143 66.3897 173.3518 92 V 4.7012 8.6948 113.3866 59.9367 36.5003 174.0486 93 I 4.8870 8.3100 115.5079 59.7853 38.9591 175.6808 94 I 4.4436 8.3191 116.5751 60.0997 38.6868 175.3265 95 G 4.2651 7.5786 106.2992 46.2889 0.0000 172.6302 96 S 5.2585 8.6034 114.9977 56.8291 66.5416 173.7016 97 K 4.3338 9.1225 121.9371 55.2183 34.6143 174.5932 98 C 4.8019 8.3819 124.3701 57.6184 31.7222 173.5388 99 F 4.6343 8.4490 120.3163 55.6010 41.8244 174.4126 100 F 4.8657 8.8086 122.2144 56.0576 39.3391 175.0430 101 Y 4.5347 8.3605 122.4842 60.5076 38.2792 176.3018 102 A 4.7290 7.6800 119.5261 50.1962 22.0225 173.7041 103 P 4.7379 0.0000 0.0000 62.3693 32.9700 176.0582 104 L 4.4588 8.4931 120.8737 54.5182 43.4995 175.4724 105 K 4.9857 9.1337 122.0821 54.0669 35.3413 175.3356 106 L 4.0486 8.5975 128.9377 56.7921 42.3556 176.7855 107 G 4.1375 9.0439 114.5001 45.6216 0.0000 173.9005 108 D 4.5997 8.3666 119.9994 54.2252 42.1988 175.5707 109 V 4.6334 8.2500 121.6526 61.0647 33.5446 174.3728 110 L 4.6868 8.8013 130.7345 53.9998 43.9708 174.7469 111 E 5.0317 9.3840 125.9661 54.7250 31.7775 174.9037 112 L 5.3468 8.8878 124.9413 52.9454 45.2425 175.4341 113 E 5.0306 9.1100 120.7210 54.4751 33.5661 174.7628 114 A 5.2696 8.7611 124.9391 50.4451 22.6422 174.5224 115 H 5.3954 9.4300 119.1723 53.9046 32.2609 172.6286 116 A 4.9177 8.8823 126.0317 51.0715 19.7145 177.2283 117 L 4.3670 9.4050 123.2297 54.2908 43.1734 176.1632 118 F 4.2464 7.7995 121.4264 55.0243 42.2739 175.4734 119 D 4.7121 7.6710 124.2707 53.1176 42.5787 175.0974 120 E 3.4077 9.2742 118.5005 59.3317 29.1876 181.6949 121 T 3.2733 7.7993 106.5357 64.2238 72.4444 174.4730 122 S 4.1986 7.9059 119.5474 57.8708 63.4345 174.8994 123 K 4.1880 8.7408 124.3953 58.6024 33.2606 176.8205 124 K 5.0205 7.9350 119.2846 55.0419 33.4117 176.5762 125 R 4.7777 9.3176 123.5183 54.5301 34.8372 173.7670 126 D 5.3366 8.6552 121.2777 52.7755 43.5550 175.3858 127 V 4.7696 8.6269 122.6362 61.0208 34.6529 174.2587 128 K 4.7543 9.2749 128.2574 55.5736 33.4680 175.7444 129 V 4.9656 9.0129 125.9394 61.2190 34.1981 174.8234 130 V 5.0270 8.8998 119.8117 59.5588 35.9518 174.6858 131 G 4.6366 9.5073 111.2582 44.8330 0.0000 171.5677 132 H 5.4777 9.4639 120.4433 53.7128 33.1297 172.9223 133 V 4.6997 8.5988 121.7293 60.6486 33.4330 175.9780 134 K 3.6841 8.9098 129.3051 58.2581 30.8557 176.7954 135 E 4.4574 9.0826 127.4383 57.2175 29.8341 175.2291 136 I 4.3895 7.6887 114.5408 58.5486 39.2114 175.5368 137 K 4.4550 8.2444 125.1238 55.5988 33.0511 175.4367 *139 F 4.4914 8.2356 124.8745 58.1794 40.9570 173.1395 140 E 4.7560 7.3633 124.7511 54.7024 33.4631 174.0261 141 G 4.0878 8.5080 110.5873 45.6873 0.0000 171.9611 142 T 5.2334 8.5062 118.8303 61.5514 71.3143 173.5365 143 I 4.8775 8.7438 126.6465 59.4889 41.0099 174.2072 144 Q 4.8173 9.1737 128.8728 54.9184 30.4045 174.1612 145 V 4.7814 8.8839 127.6520 61.1763 34.2376 174.4820 146 V 5.0565 8.8150 127.1704 61.0932 34.2960 174.3720 147 S 5.4379 8.7874 122.1051 56.8521 65.7514 172.8051 148 T 4.8162 8.7973 110.8774 60.2630 71.8125 173.4554 149 D 4.7175 8.7365 119.5691 54.9802 41.4405 176.4870 150 E 3.8707 7.6230 117.4916 54.4709 32.5324 173.8175 151 H 3.5456 6.5677 124.2036 56.1871 30.5178 175.5642 152 I 3.5588 7.9410 126.3747 64.6575 36.9249 177.5240 153 F 4.6049 7.6978 115.6834 57.9060 38.9847 175.3747 154 K 4.2257 8.1179 126.0843 56.9026 32.4483 175.2634 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 13 L 8.18 4.40 0.00 1.66 1.82 0.93 0.55 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 14 E 7.98 4.66 0.00 2.05 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 2.28 2.40 0.00 15 E 9.76 4.54 0.00 1.90 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 0.00 1.47 1.74 0.00 16 Y 8.05 4.07 0.00 3.03 3.12 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 17 A 7.58 4.59 1.24 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 18 S 8.61 4.11 0.00 4.02 4.04 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 19 A 8.88 4.05 1.32 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 0.00 0.00 20 E 7.79 4.39 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 2.21 2.18 0.00 21 D 8.40 4.74 0.00 2.70 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 22 I 7.64 4.32 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 1.50 0.57 0.91 0.00 0.00 23 S 8.65 4.48 0.00 3.69 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 24 R 7.99 4.22 0.00 1.90 1.88 0.00 3.22 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.26 0.00 25 V 7.10 4.18 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 0.94 0.00 0.00 1.00 0.00 0.00 26 R 7.99 4.06 0.00 2.06 1.97 0.00 3.37 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 27 A 8.00 4.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.21 4.53 0.00 2.11 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 2.33 2.22 0.00 29 L 7.51 4.40 0.00 1.82 1.67 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.40 4.43 0.00 1.66 1.56 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.78 4.25 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 1.29 0.00 0.00 32 C 8.67 4.24 0.00 3.09 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 33 P 0.00 4.31 0.00 2.17 2.17 0.00 3.73 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 1.98 1.96 0.00 34 E 7.88 4.48 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 35 L 7.41 3.79 0.00 1.57 1.20 -0.05 0.80 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 36 N 8.53 4.38 0.00 2.78 2.72 0.00 0.00 6.85 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.38 4.20 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 1.23 0.00 0.00 38 S 7.92 4.60 0.00 3.99 3.95 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 39 L 7.91 4.51 0.00 1.72 1.95 1.01 0.69 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 40 A 8.25 4.53 1.22 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 0.00 0.00 41 G 8.24 4.30 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 0.00 42 T 8.42 4.73 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 43 I 8.22 4.23 1.74 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 0.79 -0.36 0.73 0.00 0.00 44 I 8.70 4.45 1.90 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 1.15 0.79 0.94 0.00 0.00 45 E 7.67 4.80 0.00 2.08 1.73 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 2.48 2.36 0.00 46 I 8.14 5.05 1.81 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 1.20 0.98 0.90 0.00 0.00 47 D 9.09 4.48 0.00 2.78 2.56 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 0.00 0.00 0.00 0.00 48 K 8.70 4.06 0.00 1.81 1.81 0.00 1.97 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.45 7.81 49 N 9.32 4.43 0.00 3.03 3.14 0.00 0.00 6.51 7.48 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 50 Y 8.08 5.28 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 51 A 7.54 4.66 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.86 4.90 0.00 1.57 1.51 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.31 1.38 7.81 53 S 8.93 5.03 0.00 3.81 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 54 I 8.59 4.93 1.79 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.23 0.68 0.00 0.00 55 L 8.90 4.76 0.00 1.66 1.45 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.22 4.48 1.81 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 1.36 0.93 0.86 0.00 0.00 57 T 8.26 4.24 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 1.24 0.00 0.00 58 T 8.09 4.69 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 1.18 0.00 0.00 59 S 8.47 4.32 0.00 3.97 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 60 E 7.24 4.14 0.00 1.87 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 2.27 2.35 0.00 *62 V 7.65 4.10 2.27 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 0.68 0.00 0.00 1.00 0.00 0.00 63 A 9.25 4.40 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 64 D 7.56 4.64 0.00 2.73 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 65 D 8.63 4.71 0.00 2.80 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 66 Q 8.91 4.34 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.68 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 67 G 8.23 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 68 L 7.97 4.38 0.00 1.82 1.85 0.96 1.11 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 69 I 8.13 4.62 2.05 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 1.11 0.72 1.04 0.00 0.00 70 F 9.15 4.41 0.00 3.15 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 71 D 8.47 4.24 0.00 2.09 1.78 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 72 A 6.72 3.89 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 73 F 7.99 4.25 0.00 3.31 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 74 I 7.86 3.77 1.80 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.57 1.02 0.00 0.00 75 F 8.28 3.82 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 76 A 8.70 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 77 A 8.31 4.61 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 78 A 7.77 3.77 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.09 3.96 0.00 2.22 2.86 0.00 0.00 6.87 7.45 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 80 Y 8.06 4.28 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.86 3.27 1.90 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 0.73 0.00 0.00 0.70 0.00 0.00 82 A 8.06 3.91 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 83 Q 8.10 3.79 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.49 2.65 0.00 84 A 7.85 3.93 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 85 S 7.82 4.28 0.00 4.01 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 86 I 7.27 4.01 1.87 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 1.40 0.92 0.96 0.00 0.00 87 N 8.14 4.06 0.00 2.94 2.82 0.00 0.00 7.16 6.80 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 88 K 7.53 4.50 0.00 1.75 1.70 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.46 7.81 89 E 8.58 3.93 0.00 1.60 1.12 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 1.47 1.95 0.00 90 F 7.74 5.01 0.00 3.27 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 91 S 8.36 5.20 0.00 3.81 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 92 V 8.69 4.70 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 0.66 0.00 0.00 0.91 0.00 0.00 93 I 8.31 4.89 1.99 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.67 0.95 0.00 0.00 94 I 8.32 4.44 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 1.24 0.76 0.92 0.00 0.00 95 G 7.58 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 96 S 8.60 5.26 0.00 4.03 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 9.12 4.33 0.00 1.76 1.57 0.00 1.28 0.00 0.00 1.56 0.00 0.00 2.34 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.21 1.03 7.81 98 C 8.38 4.80 0.00 2.72 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 0.00 0.00 0.00 99 F 8.45 4.63 0.00 2.32 2.39 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 0.00 100 F 8.81 4.87 0.00 2.87 3.06 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 0.00 101 Y 8.36 4.53 0.00 3.09 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.68 4.73 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 0.00 103 P 0.00 4.74 0.00 2.13 2.09 0.00 3.83 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 2.02 2.03 0.00 104 L 8.49 4.46 0.00 1.73 1.65 1.00 0.48 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 0.00 105 K 9.13 4.99 0.00 1.81 1.80 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.36 7.81 106 L 8.60 4.05 0.00 1.68 1.59 0.96 1.10 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 0.00 107 G 9.04 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 0.00 108 D 8.37 4.60 0.00 2.70 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 0.00 109 V 8.25 4.63 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 0.34 0.00 0.00 0.93 0.00 0.00 110 L 8.80 4.69 0.00 1.77 1.46 1.02 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 111 E 9.38 5.03 0.00 1.91 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 2.14 2.46 0.00 112 L 8.89 5.35 0.00 1.52 1.51 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 113 E 9.11 5.03 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 2.27 2.27 0.00 114 A 8.76 5.27 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 0.00 115 H 9.43 5.40 0.00 3.07 3.27 0.00 5.61 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 0.00 116 A 8.88 4.92 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 0.00 117 L 9.40 4.37 0.00 1.60 1.69 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 118 F 7.80 4.25 0.00 2.91 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 0.00 119 D 7.67 4.71 0.00 2.56 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 0.00 120 E 9.27 3.41 0.00 1.98 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 2.38 2.33 0.00 121 T 7.80 3.27 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 1.16 0.00 0.00 122 S 7.91 4.20 0.00 3.81 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 0.00 123 K 8.74 4.19 0.00 1.68 2.02 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.41 7.81 124 K 7.93 5.02 0.00 1.63 1.75 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.45 7.81 125 R 9.32 4.78 0.00 1.63 1.78 0.00 3.26 0.00 0.00 3.44 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 126 D 8.66 5.34 0.00 2.65 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 0.00 127 V 8.63 4.77 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.93 0.00 0.00 128 K 9.27 4.75 0.00 1.72 1.76 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.54 7.81 129 V 9.01 4.97 2.27 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 1.11 0.00 0.00 0.93 0.00 0.00 130 V 8.90 5.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.07 0.00 0.00 131 G 9.51 4.64 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 0.00 0.00 0.00 132 H 9.46 5.48 0.00 3.08 3.41 0.00 5.59 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.60 4.70 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 1.02 0.00 0.00 0.98 0.00 0.00 134 K 8.91 3.68 0.00 1.98 1.08 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.50 7.81 135 E 9.08 4.46 0.00 1.97 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 2.30 2.39 0.00 136 I 7.69 4.39 1.91 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 1.41 1.18 0.94 0.00 0.00 137 K 8.24 4.46 0.00 1.64 1.71 0.00 1.69 0.00 0.00 2.28 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.47 7.81 *139 F 8.24 4.49 0.00 3.10 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 0.00 140 E 7.36 4.76 0.00 2.12 1.65 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 2.16 2.25 0.00 141 G 8.51 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 0.00 142 T 8.51 5.23 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 1.22 0.00 0.00 143 I 8.74 4.88 1.85 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.71 0.90 0.00 0.00 144 Q 9.17 4.82 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 145 V 8.88 4.78 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 0.80 0.00 0.00 0.93 0.00 0.00 146 V 8.82 5.06 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 0.94 0.00 0.00 0.93 0.00 0.00 147 S 8.79 5.44 0.00 3.93 3.81 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 0.00 148 T 8.80 4.82 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 1.19 0.00 0.00 149 D 8.74 4.72 0.00 2.66 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 0.00 150 E 7.62 3.87 0.00 1.72 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 0.00 1.96 2.00 0.00 151 H 6.57 3.55 0.00 2.78 3.02 0.00 5.74 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 I 7.94 3.56 1.48 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.63 0.81 0.00 0.00 153 F 7.70 4.60 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 K 8.12 4.23 0.00 1.90 1.79 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.58 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.