NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4212 8.3049 118.1887 54.7275 32.7265 174.8434 2 T 3.6830 8.1606 116.8249 63.4961 69.5029 169.8998 3 E 5.0361 9.2450 126.2840 54.6622 32.8150 174.5733 4 Y 4.7459 9.0130 121.8608 56.2324 40.8524 174.9531 5 K 4.8036 9.4508 125.6000 55.2735 33.7201 175.7201 6 L 5.0307 9.3478 126.1818 52.7181 44.7967 175.8079 7 V 4.7350 8.2938 123.0845 61.0386 34.4078 174.1507 8 V 4.6722 8.8393 128.2935 61.6301 33.1026 174.9833 9 V 4.4459 10.0829 120.8270 58.9133 35.9786 174.8808 10 G 4.0376 8.0019 108.5550 43.6013 0.0000 172.3937 11 A 4.3426 7.9470 123.3344 51.3982 19.0268 177.3373 12 G 3.7265 8.5304 108.9299 47.1069 0.0000 174.3014 13 G 3.9398 8.9169 111.0942 45.9659 0.0000 174.8814 14 V 3.7497 7.3794 112.7809 62.3135 31.8778 176.8852 15 G 4.3079 8.2728 109.7530 45.8679 0.0000 176.5048 16 K 3.9550 8.5409 120.4959 59.2931 32.1820 178.9749 17 S 4.2552 8.2549 115.9170 60.9445 62.9088 176.0637 18 A 3.8932 8.0397 123.0211 55.3953 18.1190 179.4682 19 L 4.0359 8.0982 117.0944 58.4175 41.7439 179.9687 20 T 3.7719 7.8587 115.3261 66.7528 68.3556 176.8431 21 I 3.5055 8.0577 122.0812 63.9410 37.2194 178.2404 22 Q 4.1554 8.0443 121.9877 58.4152 28.6461 178.1461 23 L 3.8094 7.4248 120.0859 58.1628 42.2067 178.6607 24 I 3.8987 7.3859 118.3173 63.3521 37.3675 176.8624 25 Q 4.4669 7.9972 115.7331 54.7830 29.8457 175.8361 26 N 4.8977 8.6117 112.8336 53.3006 35.9983 173.1929 27 H 5.0591 7.5108 111.6578 53.4882 31.4746 172.1074 28 F 4.8216 8.6962 122.7839 56.8506 40.1543 175.3499 29 V 4.3501 7.5402 127.2864 59.8518 31.9182 175.1381 30 D 4.4252 7.8572 126.5653 52.5830 43.5501 175.0698 31 E 3.7658 8.9151 118.8966 59.2025 29.3103 178.9352 32 F 5.0580 7.7002 112.2313 56.8014 41.0372 175.1390 33 D 4.5553 7.7836 122.2867 54.2285 42.4740 172.6362 34 P 4.3826 0.0000 0.0000 61.5852 31.9006 175.6192 35 T 3.3431 8.8156 129.2662 62.3637 67.2217 170.8114 36 I 4.0008 8.4784 129.8260 61.0630 36.8826 177.1262 37 E 4.9221 8.5880 118.3776 56.1534 33.0501 175.0235 38 D 4.4379 8.1059 119.4618 54.2357 45.8956 173.2738 39 S 5.0397 8.3752 112.4712 57.0373 65.3301 173.9136 40 Y 4.9058 9.2226 123.7379 56.1903 41.9481 174.3837 41 R 5.2116 8.5468 121.2349 54.8000 33.7696 174.4502 42 K 4.5638 8.6948 124.9097 55.3329 36.2031 174.2552 43 Q 4.7761 8.7197 129.0015 55.9379 30.0498 174.9166 44 V 4.6183 9.0753 118.5709 60.0551 37.1990 173.7664 45 V 4.8257 8.3232 121.1400 61.3394 33.6566 174.7547 46 I 4.2533 8.3556 128.4097 60.5441 39.7121 175.5032 47 D 4.2127 9.9368 126.7313 55.3809 38.2991 174.8698 48 G 3.9103 8.3905 105.0796 45.2503 0.0000 172.9991 49 E 4.5421 7.7906 121.5669 54.3977 31.0122 174.7249 50 T 4.7795 8.4346 123.6310 63.6938 69.4304 173.5036 51 C 4.8276 9.3104 120.4656 57.4767 34.1989 172.2364 52 L 5.1356 8.9727 119.1730 53.0138 43.9345 175.8380 53 L 5.0166 9.1644 124.4746 53.3936 43.7464 174.8986 54 D 5.2497 9.1681 124.7600 52.7547 43.2248 174.8537 55 I 4.8499 8.9515 128.0703 59.7021 39.6974 174.8257 56 L 4.6794 9.2442 128.7629 53.5004 42.9120 175.6764 57 D 5.0819 9.1312 126.5804 52.7702 41.3366 175.7451 58 T 3.8450 8.2578 115.9849 61.5595 69.2799 173.7463 59 A 3.9725 8.9983 128.2911 55.2631 19.2870 178.8848 *68 R 4.2498 7.8162 110.9590 56.0857 31.6907 179.4771 69 D 4.8603 8.3766 116.2381 55.8036 39.5974 181.4552 70 Q 4.5638 8.0184 122.9675 59.3277 28.4241 181.7768 *71 Y 4.2433 7.9261 122.6003 63.2839 36.7074 183.4228 72 M 4.5688 8.0798 119.1580 58.5998 32.2858 178.5204 73 R 4.1208 7.9968 116.6406 59.7333 30.3644 178.1935 74 T 4.1280 7.8046 114.7425 65.2639 68.8472 175.6652 75 G 3.5228 7.5966 108.9432 46.4205 0.0000 172.7599 76 E 4.4785 8.7453 122.5979 57.1940 31.0059 176.5770 77 G 4.3792 7.5255 104.6639 44.5296 0.0000 171.5745 78 F 5.3109 9.1933 119.2993 55.3805 43.0891 174.1865 79 L 4.5656 8.9186 124.0811 54.0410 42.9266 175.8939 80 C 4.7182 8.9891 123.8299 58.6371 28.7446 172.8525 81 V 4.8489 8.7306 125.7547 61.2350 33.0774 174.7647 82 F 5.1529 8.9259 121.5218 55.0648 42.0737 173.1917 83 A 5.1907 8.8595 121.0666 50.1055 20.8196 178.2593 84 I 4.1449 8.7650 115.3218 62.5023 37.9241 176.9554 85 N 5.2161 8.0316 117.3779 51.6666 37.5051 174.6544 86 N 4.9289 8.1995 118.6003 51.4495 39.7592 174.4440 87 T 3.9540 8.5474 120.6907 66.2191 68.7975 175.2757 88 K 4.1080 8.2080 121.0260 59.7589 31.9819 178.7094 89 S 4.2965 8.1564 112.7205 61.4359 63.3171 175.8166 90 F 4.0193 8.1286 124.1329 61.1031 38.8928 177.0974 91 E 3.8252 8.1774 117.0882 59.2732 29.5644 178.7818 92 D 4.4854 8.2665 118.7055 56.5971 40.7869 178.4872 93 I 3.8446 7.3696 120.7126 64.8431 37.0443 177.3834 94 H 4.2660 8.1245 119.5429 58.9563 29.5079 177.0753 95 Q 3.8661 7.9369 119.0624 58.8268 28.5075 178.0002 96 Y 3.9536 7.6327 117.4207 60.9411 37.8727 178.5514 97 R 3.6670 8.0306 119.4963 59.4562 30.2788 178.1247 98 E 3.7788 8.1069 118.5713 59.5997 29.3706 179.3326 99 Q 3.8788 8.1818 119.4522 59.0512 29.0229 178.1541 100 I 3.3404 7.7206 120.9314 64.3296 37.0845 178.2313 101 K 3.9479 7.8040 120.5322 58.9462 31.9716 179.5905 102 R 3.8644 7.7655 117.5749 59.2941 29.8339 179.3165 103 V 3.6332 7.7929 117.0198 65.5014 31.6074 177.3957 104 K 4.2122 8.1881 116.0731 55.5741 32.8161 175.8260 105 D 4.3639 7.6876 117.5756 54.3436 39.8611 172.8424 106 S 4.6324 8.0995 110.0339 57.3247 65.8352 173.8077 107 D 4.6350 8.5715 124.1080 54.7647 41.5511 176.6154 108 D 4.7649 7.7956 118.9064 51.6574 40.7021 173.3488 109 V 4.3695 7.5564 120.7736 59.4606 33.7980 173.5325 110 P 4.5271 0.0000 0.0000 63.7269 32.0820 175.0820 111 M 5.4353 8.5179 122.3567 54.2060 36.4873 174.3021 112 V 4.5097 8.5975 121.3556 61.0291 35.4154 173.9554 113 L 4.9468 9.0578 130.3278 54.5349 43.5944 175.2201 114 V 4.5780 9.2040 127.1458 61.1171 34.1348 174.4976 115 G 3.3971 8.5194 116.5064 44.6240 0.0000 172.3356 116 N 5.0685 8.4481 126.2224 51.9793 41.3254 175.0246 117 K 4.3862 8.8253 118.6157 58.2444 28.8100 177.9861 118 C 4.3485 7.9215 113.7530 59.8225 29.5462 174.1620 119 D 4.4412 7.8482 120.2800 55.2048 39.5963 176.4344 120 L 4.1154 7.5945 120.0992 54.6491 42.0376 176.9717 121 A 4.2613 8.4380 123.1765 53.1428 19.1720 177.5036 122 A 4.7354 7.5201 117.4403 50.3015 22.2953 175.4616 123 R 4.6744 8.3540 120.6248 54.9199 33.5017 174.8356 124 T 4.3408 8.8332 113.5590 61.3673 70.3236 174.0096 125 V 4.1219 7.5252 121.8956 60.7194 32.9937 175.3075 126 E 4.1426 9.1466 128.1481 55.7840 31.1730 177.5507 127 S 4.2635 8.7819 117.6319 61.9416 62.3868 176.7842 128 R 3.8576 7.8962 120.4647 59.3348 29.8962 177.8942 129 Q 3.8877 8.0521 117.2228 59.2863 28.6324 179.1950 130 A 3.9663 7.3580 120.9547 55.1400 18.3268 179.5695 131 Q 3.9216 8.0611 116.9591 59.3447 28.8937 179.0140 132 D 4.3451 8.1560 119.8168 56.8921 40.8112 178.5126 133 L 3.6240 7.9253 120.7194 58.0776 42.1280 178.8205 134 A 4.1352 8.0915 120.7650 55.3527 18.1690 179.5750 135 R 3.9126 8.0339 117.3842 59.5171 29.9033 178.9298 136 S 4.1485 7.7102 113.0449 61.1035 63.1970 175.3384 137 Y 4.7222 7.7687 118.9230 57.5068 37.7744 175.9931 138 G 3.9492 7.8844 107.8162 46.6431 0.0000 173.1977 139 I 4.8306 7.7599 111.2022 57.7884 41.0525 173.3537 140 P 4.6163 0.0000 0.0000 62.7300 32.7041 174.5817 141 Y 5.3829 8.6109 123.6214 56.0655 40.9759 174.7878 142 I 4.2848 8.2439 126.6382 59.3853 41.0697 174.1795 143 E 4.7885 8.3159 126.3965 55.4915 30.6334 175.6314 144 T 4.8481 8.7477 113.2952 60.0048 73.3444 172.8862 145 S 4.6998 8.9565 116.4650 56.4877 64.6230 174.6597 146 A 4.1112 8.7584 131.4542 54.8384 18.6363 178.6980 147 K 2.8343 7.9365 116.6948 59.1133 32.2175 177.8075 148 T 4.0489 7.5628 105.8234 61.2090 69.4973 175.6379 149 R 3.9550 8.1601 121.9947 56.1543 30.1770 175.3409 150 Q 4.0283 7.6508 118.9939 58.1289 29.4538 177.3812 151 G 3.8583 8.8697 112.1825 46.3051 0.0000 175.4107 152 V 3.5741 7.3991 119.2993 66.2067 31.4795 177.6316 153 E 3.8272 8.0092 117.6825 59.2461 29.2945 178.6575 154 D 4.2214 7.9864 117.3414 57.3256 41.1974 178.1821 155 A 3.8886 8.2582 121.4013 55.2888 18.4165 179.7092 156 F 4.1485 8.1575 116.2483 60.8569 38.9332 177.7029 157 Y 4.1333 8.7060 116.8378 61.3094 37.6516 177.9763 158 T 3.9058 8.1178 116.7787 66.8636 68.5514 176.2206 159 L 3.9258 7.8102 121.4978 57.9996 42.1609 178.8881 160 V 3.2940 7.7871 118.2298 66.2849 31.1986 178.3161 161 R 3.8951 8.2241 117.8549 59.1616 29.5921 178.9688 162 E 3.9423 8.1186 118.0834 59.2960 29.6209 179.0119 163 I 3.9166 7.9544 120.0215 64.4944 36.9524 178.6451 164 R 4.0430 7.7790 117.8896 59.3955 29.9416 178.8125 165 Q 4.1337 7.6548 116.8261 57.9365 28.8031 175.8880 166 H 4.6452 7.6568 121.1882 55.8171 29.0112 174.4512 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 M 8.30 4.42 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 2 T 8.16 3.68 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 0.54 0.00 0.00 3 E 9.24 5.04 0.00 1.70 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.37 0.00 4 Y 9.01 4.75 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 5 K 9.45 4.80 0.00 1.66 1.71 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.40 7.81 6 L 9.35 5.03 0.00 1.64 1.61 1.12 0.86 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 7 V 8.29 4.74 1.66 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 1.18 0.00 0.00 0.65 0.00 0.00 8 V 8.84 4.67 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 0.91 0.00 0.00 1.11 0.00 0.00 9 V 10.08 4.45 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 0.85 0.00 0.00 0.95 0.00 0.00 10 G 8.00 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 11 A 7.95 4.34 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.53 3.73 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 0.00 0.00 0.00 13 G 8.92 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 0.00 0.00 0.00 14 V 7.38 3.75 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 0.82 0.00 0.00 1.00 0.00 0.00 15 G 8.27 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 0.00 0.00 0.00 0.00 16 K 8.54 3.96 0.00 1.82 2.04 0.00 1.82 0.00 0.00 1.81 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.51 7.81 17 S 8.25 4.26 0.00 3.85 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 18 A 8.04 3.89 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 19 L 8.10 4.04 0.00 2.00 1.93 0.86 0.69 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 20 T 7.86 3.77 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 0.81 0.00 0.00 21 I 8.06 3.51 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.38 0.62 0.00 0.00 22 Q 8.04 4.16 0.00 2.35 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.48 2.27 0.00 23 L 7.42 3.81 0.00 1.37 1.32 0.81 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.39 3.90 1.57 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.55 0.86 0.00 0.00 25 Q 8.00 4.47 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.21 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 26 N 8.61 4.90 0.00 2.89 2.90 0.00 0.00 7.06 8.16 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 27 H 7.51 5.06 0.00 3.40 3.37 0.00 5.44 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.70 4.82 0.00 2.92 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 29 V 7.54 4.35 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 0.88 0.00 0.00 0.81 0.00 0.00 30 D 7.86 4.43 0.00 2.67 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 31 E 8.92 3.77 0.00 1.68 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 1.52 1.47 0.00 32 F 7.70 5.06 0.00 3.08 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.78 4.56 0.00 2.84 2.49 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 0.00 34 P 0.00 4.38 0.00 2.12 1.32 0.00 3.83 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 35 T 8.82 3.34 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 1.19 0.00 0.00 36 I 8.48 4.00 1.90 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 1.50 0.64 0.93 0.00 0.00 37 E 8.59 4.92 0.00 2.23 1.91 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 2.21 2.36 0.00 38 D 8.11 4.44 0.00 2.66 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 0.00 0.00 0.00 0.00 39 S 8.38 5.04 0.00 3.76 3.53 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 0.00 0.00 0.00 0.00 40 Y 9.22 4.91 0.00 2.82 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 41 R 8.55 5.21 0.00 1.78 1.76 0.00 3.26 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 42 K 8.69 4.56 0.00 1.85 1.56 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.80 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.38 7.81 43 Q 8.72 4.78 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 44 V 9.08 4.62 2.07 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 0.64 0.00 0.00 0.87 0.00 0.00 45 V 8.32 4.83 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 0.82 0.00 0.00 0.93 0.00 0.00 46 I 8.36 4.25 1.58 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.22 0.42 0.00 0.00 47 D 9.94 4.21 0.00 2.72 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 48 G 8.39 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 49 E 7.79 4.54 0.00 2.03 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 2.26 2.28 0.00 50 T 8.43 4.78 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 51 C 9.31 4.83 0.00 3.24 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 52 L 8.97 5.14 0.00 1.56 1.60 0.90 0.61 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 53 L 9.16 5.02 0.00 1.54 1.59 0.88 0.75 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 54 D 9.17 5.25 0.00 2.74 2.54 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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 0.00 1.30 0.00 0.00 88 K 8.21 4.11 0.00 1.91 1.88 0.00 1.64 0.00 0.00 1.90 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.63 7.81 89 S 8.16 4.30 0.00 4.24 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.13 4.02 0.00 2.69 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 91 E 8.18 3.83 0.00 2.12 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 2.39 2.67 0.00 92 D 8.27 4.49 0.00 3.09 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 93 I 7.37 3.84 1.75 0.00 0.00 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 1.65 0.86 1.03 0.00 0.00 94 H 8.12 4.27 0.00 3.23 3.30 0.00 5.90 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 95 Q 7.94 3.87 0.00 1.92 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 0.00 121 A 8.44 4.26 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 0.00 122 A 7.52 4.74 1.19 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 0.00 0.00 0.00 0.00 0.00 123 R 8.35 4.67 0.00 1.72 1.74 0.00 3.21 0.00 0.00 3.47 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 124 T 8.83 4.34 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 0.00 125 V 7.53 4.12 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 -0.17 0.00 0.00 0.92 0.00 0.00 126 E 9.15 4.14 0.00 1.91 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 2.28 2.34 0.00 127 S 8.78 4.26 0.00 4.07 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 0.00 128 R 7.90 3.86 0.00 1.94 1.86 0.00 3.30 0.00 0.00 3.33 7.56 0.00 0.00 0.00 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0.00 0.00 0.00 137 Y 7.77 4.72 0.00 3.17 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 0.00 138 G 7.88 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 0.00 0.00 0.00 139 I 7.76 4.83 2.22 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.95 1.04 0.00 0.00 140 P 0.00 4.62 0.00 2.14 2.05 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 141 Y 8.61 5.38 0.00 2.97 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 8.24 4.28 1.69 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 1.12 0.45 0.75 0.00 0.00 143 E 8.32 4.79 0.00 1.68 1.74 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 2.12 1.92 0.00 144 T 8.75 4.85 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 1.09 0.00 0.00 145 S 8.96 4.70 0.00 3.77 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 0.00 146 A 8.76 4.11 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 0.00 0.00 147 K 7.94 2.83 0.00 0.79 1.45 0.00 1.42 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.02 0.54 7.81 148 T 7.56 4.05 4.16 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 1.09 0.00 0.00 149 R 8.16 3.95 0.00 2.04 2.06 0.00 3.13 0.00 0.00 3.06 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 150 Q 7.65 4.03 0.00 2.11 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.50 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 151 G 8.87 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 0.00 152 V 7.40 3.57 2.17 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 1.17 0.00 0.00 0.98 0.00 0.00 153 E 8.01 3.83 0.00 1.75 1.21 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 2.15 2.22 0.00 154 D 7.99 4.22 0.00 2.61 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 0.00 155 A 8.26 3.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 F 8.16 4.15 0.00 3.20 3.19 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 0.00 0.00 0.00 157 Y 8.71 4.13 0.00 3.02 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 0.00 158 T 8.12 3.91 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 159 L 7.81 3.93 0.00 1.71 1.84 1.00 1.24 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 0.00 160 V 7.79 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 0.01 0.00 0.00 0.61 0.00 0.00 161 R 8.22 3.90 0.00 2.00 1.94 0.00 3.20 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 162 E 8.12 3.94 0.00 2.12 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 2.56 2.55 0.00 163 I 7.95 3.92 2.11 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 1.09 0.00 0.00 164 R 7.78 4.04 0.00 1.96 2.01 0.00 3.08 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 165 Q 7.65 4.13 0.00 1.87 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 166 H 7.66 4.65 0.00 3.15 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.91 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.