NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2582 8.1849 122.4920 54.8074 44.0540 177.0587 2 R 4.0568 7.7571 116.5676 53.2192 30.7496 173.1737 3 P 4.4932 0.0000 0.0000 63.3347 33.2061 175.9875 4 G 3.8436 8.9250 109.9017 46.1694 0.0000 172.3892 5 D 4.6645 7.7720 117.4575 53.4407 43.4462 176.7621 6 C 4.4014 8.5124 119.2251 57.6832 34.3448 174.5972 7 E 3.9238 7.9789 124.4429 59.5922 29.7179 177.7339 8 V 3.3334 7.3089 117.9227 65.7815 31.5850 176.9843 9 C 4.2822 8.1652 117.8351 59.9908 37.6322 175.6412 10 I 3.8046 8.2558 121.6565 64.2367 36.8430 178.3994 11 S 4.2162 8.2285 114.0245 61.6938 62.0133 175.6551 12 Y 4.2306 8.6750 122.6768 60.8614 38.6075 177.7237 13 L 4.4440 8.2968 119.5068 57.3484 41.7169 179.6110 14 G 3.7480 8.1683 105.6670 47.9857 0.0000 176.0485 15 R 4.0247 8.1270 120.1709 58.5221 30.1793 178.9525 16 F 3.2134 8.0150 120.7944 61.0170 39.1853 176.3178 17 Y 4.0471 8.4584 119.3845 60.9062 38.6244 177.8358 18 Q 3.6204 8.0724 118.8032 59.2741 29.0301 179.1049 19 D 4.3011 7.9086 118.3754 56.8975 41.0512 178.3382 20 L 3.6614 7.3264 119.3994 57.5203 41.5056 179.1579 21 K 3.9492 7.5947 118.2403 59.9313 31.8391 178.8297 22 D 4.2781 7.7880 117.3012 57.4162 40.8872 178.5248 23 R 4.2356 7.6467 114.4587 54.8189 31.7069 175.9372 24 D 4.3531 8.3100 118.2304 55.1552 39.6416 172.9090 25 V 3.7857 8.2208 119.5583 61.8589 32.7404 175.5269 26 T 3.9418 8.3461 123.2572 63.9118 67.8790 174.9243 27 F 4.1796 8.7447 126.5867 57.1881 37.1091 174.7618 28 S 4.6568 7.8616 117.6697 54.7291 66.7906 171.2131 29 P 4.2969 0.0000 0.0000 66.2552 31.1835 178.4189 30 A 4.0399 8.0004 118.3557 55.6036 18.2764 179.5594 31 T 3.7670 7.8323 113.4705 66.9153 68.6424 176.4648 32 I 3.6933 8.4398 122.2164 64.6848 37.1294 177.9676 33 E 3.9402 8.6577 119.3870 59.8650 29.5034 179.1429 34 N 4.3230 8.2650 116.0305 56.7055 38.6430 177.4056 35 E 4.1765 8.5961 119.9504 58.9989 29.5189 179.1849 36 L 3.2324 8.3767 121.1454 57.8380 42.0290 178.9572 37 I 3.9760 7.7855 121.1642 63.9895 36.8712 178.6869 38 K 4.0197 7.8010 117.4291 59.3149 32.2786 178.9712 39 F 4.3267 8.3768 121.1650 61.1699 39.3952 176.0949 40 C 4.7983 8.2029 116.5232 58.0379 39.9555 175.8726 41 R 3.8219 7.4511 119.3515 58.7447 29.6815 177.7248 42 E 3.9734 7.6026 114.6794 58.3310 29.8881 177.2431 43 A 4.1885 7.5117 123.2637 51.8441 18.6797 176.6200 44 R 4.6830 7.9875 120.2123 54.6714 34.8804 176.5911 45 G 4.0057 8.1996 106.8285 47.3898 0.0000 177.2868 46 K 4.0225 8.5325 120.7431 58.8757 32.0143 178.5996 47 E 3.6984 8.0461 118.8574 59.2490 29.3934 178.6226 48 N 4.2008 7.7357 116.4632 56.6725 39.0098 177.2355 49 R 3.6636 7.4892 118.9773 58.6883 30.0166 178.6120 50 L 4.0155 8.2338 120.6377 58.6119 42.0688 178.4732 51 C 4.2059 7.9853 116.2095 60.1379 35.0035 175.6477 52 Y 4.0056 7.8274 122.4837 60.3626 38.1555 177.5005 53 Y 4.2345 7.5856 116.7556 60.4895 37.8515 176.5009 54 I 4.0907 8.2216 112.1890 60.2139 37.8810 176.4228 55 G 3.5959 7.4887 108.1126 47.0714 0.0000 174.1808 56 A 4.5098 8.1160 120.7794 51.6116 18.7008 177.8114 57 T 4.5142 7.3333 108.1591 60.5066 71.1196 173.5769 58 D 4.5725 8.4884 125.5644 56.7421 41.4254 177.5403 59 D 4.8224 9.3023 124.4771 54.5549 36.6528 171.7867 60 A 4.1021 7.8527 120.4922 52.2451 20.6208 176.4221 61 A 4.1055 9.1164 126.9362 53.3261 17.5418 178.6914 62 T 4.7441 8.4631 119.5434 61.5583 72.4950 174.5339 63 K 4.4255 8.5057 125.7313 57.4906 32.2631 178.6666 64 I 3.7048 7.6374 122.2269 63.8748 37.3826 177.9646 65 I 3.8567 7.6993 121.3747 63.4956 37.6668 177.2491 66 N 4.4321 8.4438 117.7918 56.2038 38.1275 176.6869 67 E 4.1761 8.0098 118.3585 57.7831 29.8762 178.0248 68 V 4.1897 7.3630 117.4956 64.7608 32.9631 177.5622 69 S 4.2484 8.3945 114.3742 61.3341 62.7204 176.3525 70 K 4.0099 8.1108 122.3522 58.7778 31.8982 177.5130 71 P 4.3764 0.0000 0.0000 65.8743 31.2023 178.0436 72 L 3.8720 7.9363 119.4295 57.9099 41.8027 178.7986 73 A 4.2589 8.1004 119.5846 54.2836 18.3048 177.5209 74 H 4.8071 7.4751 112.8182 56.2626 29.4181 173.6767 75 H 3.8834 7.6792 112.9440 56.5623 26.9034 175.3150 76 I 3.9330 7.5471 119.7935 59.9038 37.8498 175.1609 77 P 4.1394 0.0000 0.0000 63.6025 32.5144 177.5572 78 V 3.6334 8.3873 119.4950 65.9513 31.4158 178.2428 79 E 4.0505 8.2748 120.6961 59.8561 29.4259 179.6974 80 K 3.9967 8.0031 123.2434 59.7830 31.8668 180.7453 81 I 3.9098 7.6443 120.9292 64.6649 36.8858 178.0714 82 C 4.4263 7.9591 115.4795 59.4494 36.5688 175.6702 83 E 4.1030 8.3678 123.9106 59.9413 29.2085 179.6608 84 K 4.0288 8.1486 123.6969 59.6816 31.7296 180.8429 85 L 4.1972 7.9363 119.1339 57.5506 41.2044 179.4271 86 K 4.1421 7.4717 120.5542 58.7255 32.1117 178.7236 87 K 4.1137 7.5672 118.2269 59.2770 32.0668 179.2989 88 K 4.1017 7.9091 116.8735 57.9380 32.9134 176.5473 89 D 4.8672 7.6073 118.0964 52.1820 43.5235 176.7874 90 S 4.2009 8.5899 122.4200 61.8125 63.4775 176.6036 91 Q 3.7997 8.5186 119.3354 58.3234 29.1261 178.4681 92 I 3.6923 7.7719 119.0377 64.7437 37.0540 178.3130 93 C 4.6272 7.4265 113.6557 57.7209 40.3687 174.6031 94 E 3.7684 7.6929 120.3533 58.4151 29.3438 176.9034 95 L 4.2402 7.4897 119.0332 54.2207 42.1630 176.1168 96 K 4.5457 8.0910 121.7849 54.5134 36.1344 175.9069 97 Y 4.4164 8.5222 119.8465 58.1129 38.4697 175.1928 98 D 4.7863 8.7171 124.4354 53.6893 42.2328 177.5738 99 K 4.3594 8.6158 127.6477 54.6430 32.7933 174.1825 100 Q 4.6293 8.4301 121.0909 53.7026 31.2452 176.9668 101 I 4.2549 8.3105 123.1632 59.0604 37.1396 173.5694 102 D 4.6376 8.7189 117.9409 57.7155 40.3244 175.5130 103 L 4.2168 8.2018 120.8691 56.5578 41.6043 180.1470 104 S 3.8244 8.2408 115.8105 58.8720 59.5686 174.0018 105 T 4.8602 7.4677 112.8215 60.6041 73.3245 178.6708 106 V 4.2992 7.9174 128.9605 61.6452 30.4847 181.0580 107 D 4.6496 8.7682 125.3908 54.6651 38.9065 175.5712 108 L 4.4516 8.1087 133.6018 53.4535 42.5734 174.5125 109 K 4.2169 8.7132 119.8652 56.5864 32.2292 174.9576 110 K 3.8931 8.9771 128.5919 56.9172 31.2812 174.9156 111 L 4.5863 7.9269 118.2738 55.4262 42.2030 182.2763 112 R 3.9889 8.3723 121.6797 62.1314 29.5181 185.0000 113 V 3.9908 7.9821 120.1354 66.7346 31.4850 183.5802 114 K 4.2938 7.7489 124.9253 60.8388 31.6162 183.8345 115 E 4.3118 8.2688 121.9556 61.3203 29.2308 181.3571 116 L 4.3282 7.9363 125.1230 59.9047 41.1148 182.1773 117 K 4.5985 8.1446 124.6592 58.1876 32.0472 181.1959 118 K 4.4690 7.9865 125.3782 60.4004 31.7870 185.0000 119 I 4.1067 8.2033 122.4226 65.6784 35.6011 181.7290 120 L 4.4856 7.6367 122.5641 56.4881 42.1096 179.1870 121 D 4.6634 7.7575 117.6255 55.1153 36.9016 178.3419 122 D 4.8151 8.4682 121.8033 51.7140 44.4949 176.9961 *123 W 4.2602 8.5946 123.2108 55.7786 29.5489 177.5014 124 G 4.0395 8.3917 116.3700 43.9008 0.0000 174.7292 125 E 3.8537 8.0059 115.8979 57.9795 30.4014 179.5645 126 T 3.4610 8.3911 117.8816 61.1151 65.7226 169.1745 127 C 4.7791 8.1929 121.2396 57.6082 42.4124 175.4682 128 K 4.5043 8.3480 120.8771 52.5392 32.7101 177.4149 129 G 4.2867 7.8777 110.5596 46.7364 0.0000 173.8601 130 C 4.6204 7.9833 116.6803 55.8920 44.6886 174.4327 131 A 3.8973 7.8269 125.7757 55.5011 18.2290 179.5839 132 E 3.9956 8.3066 118.6968 61.8515 29.9841 184.2978 133 K 4.4272 7.7925 126.3265 60.5517 31.6475 182.3451 134 S 4.5140 8.0737 121.0504 63.4158 62.4241 177.5569 135 D 5.0959 8.1924 123.9136 56.3657 39.5888 179.1322 *136 Y 4.9506 7.5775 118.7446 57.7249 38.6033 180.9467 137 I 4.2692 7.6981 124.2093 61.1507 36.5688 177.7949 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 L 8.18 4.26 0.00 1.62 1.77 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 2 R 7.76 4.06 0.00 2.11 1.86 0.00 3.25 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 3 P 0.00 4.49 0.00 2.19 2.06 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 4 G 8.93 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 0.00 0.00 0.00 5 D 7.77 4.66 0.00 2.79 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 6 C 8.51 4.40 0.00 3.12 3.20 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 0.00 7 E 7.98 3.92 0.00 2.05 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 0.00 2.57 2.48 0.00 8 V 7.31 3.33 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.05 0.00 0.00 9 C 8.17 4.28 0.00 3.05 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 10 I 8.26 3.80 2.00 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 1.46 0.87 0.98 0.00 0.00 11 S 8.23 4.22 0.00 4.19 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.68 4.23 0.00 3.33 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 13 L 8.30 4.44 0.00 1.95 1.86 1.01 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.17 3.75 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 0.00 0.00 0.00 15 R 8.13 4.02 0.00 2.12 2.11 0.00 3.21 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 16 F 8.01 3.21 0.00 2.34 2.94 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 17 Y 8.46 4.05 0.00 3.03 3.14 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 18 Q 8.07 3.62 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.57 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 19 D 7.91 4.30 0.00 2.95 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.33 3.66 0.00 1.69 1.07 -0.07 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.59 3.95 0.00 1.73 1.77 0.00 1.45 0.00 0.00 1.30 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.37 1.24 7.81 22 D 7.79 4.28 0.00 2.61 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 23 R 7.65 4.24 0.00 1.76 1.94 0.00 3.33 0.00 0.00 3.18 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 24 D 8.31 4.35 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.22 3.79 1.70 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 0.58 0.00 0.00 0.83 0.00 0.00 26 T 8.35 3.94 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 1.24 0.00 0.00 27 F 8.74 4.18 0.00 2.98 3.01 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 28 S 7.86 4.66 0.00 3.83 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 29 P 0.00 4.30 0.00 2.21 2.13 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 30 A 8.00 4.04 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 31 T 7.83 3.77 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 1.17 0.00 0.00 32 I 8.44 3.69 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.60 1.13 0.00 0.00 33 E 8.66 3.94 0.00 2.23 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 2.34 2.49 0.00 34 N 8.27 4.32 0.00 2.99 2.90 0.00 0.00 7.16 7.26 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 35 E 8.60 4.18 0.00 2.35 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 2.54 2.40 0.00 36 L 8.38 3.23 0.00 1.40 1.65 0.08 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.79 3.98 1.89 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 1.66 1.52 0.97 0.00 0.00 38 K 7.80 4.02 0.00 1.86 1.95 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.51 1.68 7.81 39 F 8.38 4.33 0.00 3.44 3.15 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 0.00 0.00 0.00 0.00 40 C 8.20 4.80 0.00 3.24 3.13 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 41 R 7.45 3.82 0.00 2.05 1.99 0.00 3.19 0.00 0.00 3.29 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 42 E 7.60 3.97 0.00 2.04 1.93 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 2.37 2.18 0.00 43 A 7.51 4.19 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.99 4.68 0.00 1.79 1.78 0.00 3.40 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 45 G 8.20 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 0.00 0.00 0.00 46 K 8.53 4.02 0.00 1.70 1.77 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.51 7.81 47 E 8.05 3.70 0.00 2.12 1.52 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 2.46 2.54 0.00 48 N 7.74 4.20 0.00 2.86 2.92 0.00 0.00 7.23 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 7.49 3.66 0.00 1.98 1.77 0.00 3.12 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.00 50 L 8.23 4.02 0.00 1.69 1.67 0.96 0.98 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 51 C 7.99 4.21 0.00 3.12 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 7.83 4.01 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 53 Y 7.59 4.23 0.00 3.15 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 54 I 8.22 4.09 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.83 0.98 0.00 0.00 55 G 7.49 3.60 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 0.00 0.00 0.00 56 A 8.12 4.51 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.33 4.51 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 1.29 0.00 0.00 58 D 8.49 4.57 0.00 2.68 2.67 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 59 D 9.30 4.82 0.00 2.75 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 60 A 7.85 4.10 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 61 A 9.12 4.11 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 62 T 8.46 4.74 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 63 K 8.51 4.43 0.00 1.80 1.96 0.00 1.67 0.00 0.00 2.01 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.44 7.81 64 I 7.64 3.70 1.84 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 1.26 0.78 0.89 0.00 0.00 65 I 7.70 3.86 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.01 0.90 0.00 0.00 66 N 8.44 4.43 0.00 2.94 2.86 0.00 0.00 6.93 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 67 E 8.01 4.18 0.00 2.03 2.01 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 2.41 2.45 0.00 68 V 7.36 4.19 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 1.18 0.00 0.00 0.96 0.00 0.00 69 S 8.39 4.25 0.00 4.22 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 70 K 8.11 4.01 0.00 2.00 1.93 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.58 7.81 71 P 0.00 4.38 0.00 2.26 2.31 0.00 3.82 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 2.23 2.13 0.00 72 L 7.94 3.87 0.00 2.10 1.91 0.79 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.10 4.26 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 74 H 7.48 4.81 0.00 3.17 3.29 0.00 5.81 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 H 7.68 3.88 0.00 3.23 3.25 0.00 5.65 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.55 3.93 1.84 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 1.58 0.73 0.89 0.00 0.00 77 P 0.00 4.14 0.00 2.24 2.20 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 78 V 8.39 3.63 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 1.17 0.00 0.00 0.89 0.00 0.00 79 E 8.27 4.05 0.00 2.11 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 2.42 2.47 0.00 80 K 8.00 4.00 0.00 1.76 1.82 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.10 7.81 81 I 7.64 3.91 2.02 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 1.52 1.05 0.98 0.00 0.00 82 C 7.96 4.43 0.00 3.13 3.17 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 83 E 8.37 4.10 0.00 2.20 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 2.30 2.32 0.00 84 K 8.15 4.03 0.00 1.82 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.35 7.81 85 L 7.94 4.20 0.00 1.90 1.75 0.95 0.59 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 86 K 7.47 4.14 0.00 1.75 1.90 0.00 1.64 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.32 7.81 87 K 7.57 4.11 0.00 1.87 1.84 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.47 7.81 88 K 7.91 4.10 0.00 1.70 1.84 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.42 7.81 89 D 7.61 4.87 0.00 2.56 2.36 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 90 S 8.59 4.20 0.00 3.84 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 91 Q 8.52 3.80 0.00 1.33 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.10 0.00 92 I 7.77 3.69 1.83 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 1.47 1.04 0.93 0.00 0.00 93 C 7.43 4.63 0.00 2.92 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 94 E 7.69 3.77 0.00 1.87 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 2.31 0.00 95 L 7.49 4.24 0.00 1.74 1.47 1.08 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.09 4.55 0.00 1.66 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.41 7.81 97 Y 8.52 4.42 0.00 3.05 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 98 D 8.72 4.79 0.00 2.73 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.62 4.36 0.00 1.77 1.59 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.35 1.00 7.81 100 Q 8.43 4.63 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.98 0.00 0.00 0.00 0.00 0.00 2.16 1.87 0.00 101 I 8.31 4.25 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 0.00 102 D 8.72 4.64 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.20 4.22 0.00 1.66 1.60 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.24 3.82 0.00 3.71 3.76 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 0.00 105 T 7.47 4.86 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 0.00 106 V 7.92 4.30 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 0.86 0.00 0.00 0.93 0.00 0.00 107 D 8.77 4.65 0.00 2.69 2.54 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 0.00 0.00 0.00 0.00 108 L 8.11 4.45 0.00 1.66 1.49 0.92 0.79 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 0.00 109 K 8.71 4.22 0.00 1.68 1.73 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.00 7.81 110 K 8.98 3.89 0.00 1.76 1.79 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.04 7.81 111 L 7.93 4.59 0.00 1.55 1.67 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 112 R 8.37 3.99 0.00 1.79 1.96 0.00 3.24 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 113 V 7.98 3.99 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 0.75 0.00 0.00 0.93 0.00 0.00 114 K 7.75 4.29 0.00 1.60 1.84 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 115 E 8.27 4.31 0.00 1.97 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 2.31 1.94 0.00 116 L 7.94 4.33 0.00 1.61 1.71 0.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 117 K 8.14 4.60 0.00 1.79 1.83 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.31 7.81 118 K 7.99 4.47 0.00 1.78 1.83 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.31 7.81 119 I 8.20 4.11 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 1.38 1.10 0.91 0.00 0.00 120 L 7.64 4.49 0.00 1.78 1.60 0.92 1.04 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 0.00 121 D 7.76 4.66 0.00 2.85 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 0.00 122 D 8.47 4.82 0.00 2.67 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 *123 W 8.59 4.26 0.00 2.51 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 0.00 124 G 8.39 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 0.00 0.00 0.00 125 E 8.01 3.85 0.00 2.00 1.79 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 2.23 1.88 0.00 126 T 8.39 3.46 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 0.00 127 C 8.19 4.78 0.00 2.95 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.35 4.50 0.00 1.72 1.55 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.26 1.00 7.81 129 G 7.88 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 0.00 130 C 7.98 4.62 0.00 2.96 3.01 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 0.00 131 A 7.83 3.90 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 0.00 132 E 8.31 4.00 0.00 2.08 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 2.23 1.95 0.00 133 K 7.79 4.43 0.00 1.89 1.84 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 134 S 8.07 4.51 0.00 3.70 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 0.00 135 D 8.19 5.10 0.00 2.77 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 *136 Y 7.58 4.95 0.00 2.26 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 0.00 0.00 0.00 0.00 137 I 7.70 4.27 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 * Residues marked with a * may have inaccurate shift predictions.