NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.3924 8.2644 122.4628 51.4944 18.7291 175.4676 1 E 4.4302 7.7557 121.8462 53.6142 33.6510 172.4947 2 R 5.2551 8.1556 125.9933 54.5150 33.4487 174.9870 3 R 4.4637 8.5041 116.6088 55.0966 33.2181 173.5915 4 L 4.6319 8.6814 124.1424 55.5520 42.7435 175.7263 5 C 5.0468 9.0067 123.0906 57.8531 33.1155 173.1339 6 A 4.8151 8.4052 122.9504 51.6575 19.9094 176.4799 7 I 4.9670 9.1085 122.9151 59.3181 40.7869 174.2701 8 L 5.2398 9.4290 128.8775 53.1456 44.8800 174.6649 9 A 5.1630 9.4362 127.7543 50.1099 21.6999 174.7561 10 A 5.6601 8.4985 122.7399 48.5277 22.8816 173.9939 11 D 4.5837 8.6312 122.6387 53.9182 47.3800 177.5541 *13 A 4.3029 8.8810 119.4795 53.1657 19.8289 176.0929 14 G 3.5787 8.6159 109.3771 44.7754 0.0000 174.4654 15 Y 3.7345 7.4349 112.7439 58.6385 35.2163 172.4684 16 S 4.1904 7.6766 115.3112 58.3775 63.4885 173.9616 17 R 4.0577 8.6967 126.9946 59.1610 30.1529 176.4014 18 L 4.3216 7.4042 118.2285 55.5982 40.3712 177.4807 *23 E 4.2382 8.1193 118.1878 57.5348 31.9430 178.0917 24 T 3.8511 7.7815 110.2151 64.9414 68.8208 175.9819 25 D 4.4327 8.0533 120.6780 55.2133 40.9667 177.7156 26 V 4.1474 7.0072 116.6986 61.6794 33.0327 177.3835 27 L 4.0658 7.8911 122.2111 57.8517 42.1086 178.1601 28 N 4.3005 8.0315 116.7847 56.0429 37.1446 176.8363 29 R 3.9775 7.9278 117.5515 57.0608 29.3127 178.2646 30 Q 4.0843 7.9747 121.5604 59.4926 29.4146 177.8065 31 K 4.1999 7.8679 118.5863 58.7553 31.8840 179.1827 32 L 3.8544 7.7102 120.7140 58.4939 42.1582 178.3293 33 Y 4.4761 7.4812 116.6676 61.0250 37.7276 178.6820 34 R 3.9254 8.6495 120.2678 59.5335 29.9992 178.8069 35 R 4.0181 7.8576 116.7537 58.4951 30.3178 177.9783 36 E 4.3987 8.5468 116.0370 56.8478 30.4174 176.4470 37 L 4.5723 8.1632 120.4684 56.4549 44.4095 178.2731 38 I 3.8176 7.7187 118.7660 64.4869 37.2682 177.9029 39 D 4.3637 8.2776 119.6087 57.0230 40.7635 177.2843 40 P 4.2492 0.0000 0.0000 65.2146 31.3519 178.5873 41 A 3.9761 7.8016 119.8660 55.1585 18.2918 179.5698 42 I 3.7453 7.9026 118.1152 64.7226 37.2495 178.3701 43 A 3.9484 8.1146 121.4517 55.3866 17.9084 179.5303 44 Q 3.9371 7.8695 116.5708 59.0876 29.2432 177.4380 45 A 4.4260 7.9484 118.3738 51.6093 18.3993 177.1742 46 G 3.8071 7.9564 106.2690 47.3682 0.0000 174.2629 47 G 3.4591 8.0059 106.5781 44.0062 0.0000 173.6766 48 Q 4.6016 7.9386 117.3097 53.7556 32.9082 175.2619 49 I 3.9717 8.2505 124.3507 61.6265 37.3908 175.7977 50 V 3.9720 9.2564 129.2975 64.6691 31.3552 175.8326 51 K 4.7201 7.6563 117.0839 55.7386 35.9694 174.7040 52 T 4.8396 8.4663 117.2957 62.2440 71.2813 173.3367 53 T 4.7040 9.0475 116.7413 58.9694 72.0159 174.6432 54 G 3.9433 8.8270 109.4195 49.0204 0.0000 174.0514 55 D 4.6846 7.4705 116.0453 53.6903 43.0428 175.9673 56 G 3.9995 8.3207 107.7120 44.4220 0.0000 176.3911 *58 L 4.5327 9.1607 128.2977 54.7383 43.5457 174.0614 59 A 5.3246 9.3083 127.9846 50.0496 22.8236 174.6334 60 R 5.2196 8.7099 115.1080 54.7405 33.2064 173.9528 61 F 5.0352 9.1137 117.3725 56.5933 43.6399 175.1725 62 D 4.6804 9.0352 118.5727 55.7533 41.8878 177.7163 63 T 4.7408 7.5569 108.0779 58.7720 73.2727 174.5313 64 A 3.9741 8.4425 124.2750 55.2381 18.4377 179.5594 65 Q 3.7840 8.1239 117.4596 59.6093 28.9807 178.7318 66 A 3.8605 7.6926 120.9778 55.2420 18.4689 179.5184 67 A 2.5800 7.1014 117.8024 54.2466 18.2623 179.7583 68 L 3.7312 7.6771 118.9790 58.4441 42.3536 179.4774 69 R 3.8839 7.9939 118.2299 59.0187 29.9001 178.4771 70 C 3.9658 8.3563 118.7618 62.5170 31.5802 175.6046 71 A 3.9082 7.6644 121.9858 55.2271 17.4749 179.6394 72 L 3.4324 8.1954 117.6468 57.4196 41.4197 179.2513 73 E 3.9943 7.8197 119.1231 58.6272 29.3629 178.7572 74 I 3.6775 7.4181 119.2493 64.4854 37.3997 177.9847 75 Q 4.2511 7.8564 117.3485 59.2394 28.5372 178.7566 76 Q 4.3297 7.8716 117.9279 58.5944 28.6264 178.9414 77 A 4.0264 7.6848 120.0199 52.5253 18.3238 179.0218 *79 Q 4.1644 8.1006 124.0961 57.9361 31.2322 177.2951 80 Q 4.0194 7.7428 116.3967 59.2458 28.7894 178.5721 81 R 4.2434 8.2266 114.8565 57.7730 30.2771 176.8809 82 E 4.6567 7.7562 116.9650 55.4558 31.1826 176.7565 83 E 4.0881 8.1220 118.6649 58.8269 29.7665 176.9901 84 D 4.6385 7.9223 116.4061 55.1019 40.5340 177.2715 85 T 3.9900 7.6377 116.9777 62.5783 69.0204 172.4417 86 P 4.3869 0.0000 0.0000 62.6933 32.1703 177.2564 87 R 3.8673 8.7512 120.6319 59.3619 29.9444 177.7784 88 K 4.3660 7.9518 112.7075 56.7740 32.8244 176.4458 89 E 4.6629 8.1786 117.8337 56.4692 30.2780 176.4720 90 R 4.4366 7.7381 117.9517 55.8692 31.0083 175.6110 91 I 4.5114 8.2361 120.8337 59.8914 38.4603 175.5367 92 Q 4.6656 8.3265 123.5221 54.2536 32.3349 174.4563 93 Y 4.9368 8.5592 119.0346 56.7063 41.1915 174.5545 94 R 4.9546 8.7792 120.9740 54.9332 32.5547 175.5524 95 I 5.1152 8.2622 123.8812 59.4967 41.3363 174.7059 96 G 4.5015 9.5358 112.9438 44.5024 0.0000 171.4200 97 I 5.2293 8.8193 124.1290 59.4289 40.9604 174.2023 98 N 5.3693 9.2328 124.1530 52.0356 43.2403 172.5802 99 I 5.5156 7.9361 120.2664 58.0882 41.4625 175.6481 100 G 3.9276 7.9102 109.6282 46.6727 0.0000 170.5564 101 D 5.1605 8.7096 120.8964 53.7117 41.2755 176.3981 102 I 4.7472 8.4488 116.9480 59.0217 41.4345 174.3734 103 V 4.6788 8.4663 122.8258 61.6523 33.2524 174.7702 104 L 5.0422 9.3257 129.4439 53.0385 41.6702 174.3413 105 E 4.6031 8.8497 123.0134 54.6490 32.6010 175.3452 106 D 4.4098 9.7669 125.9181 55.6073 38.6051 174.1768 107 G 3.9180 8.3821 101.2792 46.2231 0.0000 172.7744 108 D 4.8426 8.2123 118.1933 51.7727 44.5059 174.2797 109 I 5.0532 7.4556 114.0757 58.2308 40.4506 174.7977 110 F 4.7762 8.7563 118.9194 56.5977 43.1869 173.1287 111 G 4.5032 9.0564 107.8663 43.4334 0.0000 174.7165 112 D 4.3871 8.8951 119.7490 57.3518 40.7238 179.0953 113 A 4.0611 8.0451 120.7175 54.9720 18.3356 179.7986 114 V 3.5390 7.8199 116.8876 66.2717 31.6407 177.8100 115 N 4.3112 8.2489 115.7957 56.4368 38.3695 177.2315 116 V 3.5736 7.8472 119.1571 66.1099 31.6552 177.9538 117 A 4.0517 7.9350 119.6730 55.1122 18.1552 179.5139 118 A 3.9801 8.0359 119.4868 55.1413 18.5711 179.8597 119 R 3.8566 8.1180 117.3459 59.5977 30.2247 178.7472 120 L 4.0406 8.0284 118.8122 57.6832 41.3708 179.0922 121 E 3.9544 8.0625 118.0779 59.3338 29.6990 178.2642 122 A 4.1571 7.9164 119.6723 54.8226 18.5135 178.8340 123 I 4.1116 7.4362 108.7263 60.8927 38.7416 176.2960 124 S 4.2248 7.3195 115.0725 58.5783 63.0241 173.5494 125 E 4.2776 8.5548 124.3463 54.7192 30.1241 174.5901 126 P 4.2486 0.0000 0.0000 64.3935 31.4697 176.8328 127 G 3.8662 9.3097 111.0835 45.7806 0.0000 172.8895 128 A 4.7771 8.1514 122.8618 50.7106 22.0742 176.0328 129 I 5.0557 9.2470 117.8530 60.1494 41.1260 174.8032 130 C 5.4368 9.3221 125.1788 58.2315 30.3728 173.4668 131 V 5.1028 9.0394 117.7448 59.3766 34.9308 175.7713 132 S 4.7459 8.6000 118.2758 57.7546 64.4172 174.7466 133 D 4.6024 8.8260 119.3803 57.5656 40.8173 178.3501 134 I 3.6718 7.8768 119.9388 64.4720 37.0986 178.3331 135 V 3.4557 7.3302 117.6702 66.2782 31.3329 177.4681 136 H 3.6506 8.1024 117.9327 59.2544 29.3085 177.2077 137 Q 3.7794 7.9652 119.1247 58.9848 28.5923 178.5387 138 I 3.8276 7.5750 120.2049 63.5928 37.3659 177.5776 139 T 4.2733 7.8380 109.8576 62.3111 69.4800 176.4909 140 Q 3.7469 7.6653 119.8828 59.2600 28.2988 178.1337 141 D 4.4755 7.8571 116.1563 55.7691 41.2590 176.8253 142 R 4.5398 7.5696 117.5718 55.2593 30.4211 176.3293 143 V 4.2743 7.2704 115.2910 62.1233 34.2897 173.5282 144 S 4.2946 8.7994 123.8099 61.2430 63.0922 174.8878 145 E 4.2141 8.0056 120.1778 55.5279 29.7228 174.7480 146 P 4.7831 0.0000 0.0000 62.8352 32.4418 175.4299 147 F 5.2190 9.0324 119.1009 56.2063 43.0167 174.2811 148 T 4.7690 8.8059 117.6881 61.6365 71.1748 173.2917 149 D 3.4991 8.7386 125.6303 54.2524 41.0607 175.4709 150 L 4.1132 8.3981 126.1073 54.7258 42.5514 178.1501 151 G 3.6530 8.3382 108.4882 44.1046 0.0000 172.3079 152 L 4.8282 7.9045 117.7362 54.4364 42.9509 177.1212 153 Q 4.4166 8.7458 120.8488 54.1253 32.6748 174.0106 154 K 4.5139 8.7847 126.3039 55.4402 33.4958 175.8688 155 V 4.3659 8.2625 127.0964 60.2126 33.4709 174.7118 156 K 3.9089 8.5910 125.2630 58.9467 32.4094 176.2470 157 N 4.2146 9.0040 116.8718 53.7404 36.0816 174.1093 158 I 4.3732 7.4351 118.6512 59.5589 38.2355 175.4397 159 T 3.8947 8.4824 121.7992 67.0670 68.6599 174.9645 160 R 4.0886 7.6734 120.1576 55.3668 30.8307 175.0756 161 P 4.5319 0.0000 0.0000 62.8337 32.6428 175.6862 162 I 4.2143 8.4938 122.9467 60.7381 38.9651 174.8817 163 R 4.6815 8.6093 127.2790 55.5992 31.6216 174.8160 164 V 4.8612 8.2412 126.1114 61.0138 34.2016 174.2394 165 W 5.2604 9.3941 126.8911 54.9057 32.7190 174.0565 166 Q 5.3888 9.6961 125.4270 54.2156 31.7146 173.6761 167 W 4.6953 9.5760 135.0000 56.0358 32.6379 175.2159 168 V 3.9511 6.7195 117.9190 58.1554 35.0233 173.8170 169 P 3.8580 0.0000 0.0000 62.2434 31.9257 176.0351 170 D 4.3347 8.9778 121.6330 57.5700 41.2490 176.6404 171 A 4.1415 7.9218 124.2589 52.5137 18.2122 176.8741 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 0 A 8.26 4.39 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 1 E 7.76 4.43 0.00 2.09 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 2.28 2.41 0.00 2 R 8.16 5.26 0.00 1.71 1.81 0.00 3.48 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 3 R 8.50 4.46 0.00 1.84 1.97 0.00 2.78 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 4 L 8.68 4.63 0.00 1.69 1.64 0.92 0.87 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 5 C 9.01 5.05 0.00 2.90 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 6 A 8.41 4.82 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 7 I 9.11 4.97 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.76 0.94 0.00 0.00 8 L 9.43 5.24 0.00 1.81 1.75 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 9 A 9.44 5.16 1.23 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 0.00 0.00 0.00 10 A 8.50 5.66 1.18 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 0.00 0.00 11 D 8.63 4.58 0.00 2.75 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 0.00 0.00 0.00 0.00 *13 A 8.88 4.30 1.28 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 0.00 0.00 14 G 8.62 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 15 Y 7.43 3.73 0.00 3.11 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.68 4.19 0.00 3.82 3.78 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 17 R 8.70 4.06 0.00 1.81 1.97 0.00 3.37 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 18 L 7.40 4.32 0.00 1.80 1.74 0.93 1.01 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 *23 E 8.12 4.24 0.00 2.11 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 0.00 2.23 2.23 0.00 24 T 7.78 3.85 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 1.19 0.00 0.00 25 D 8.05 4.43 0.00 2.62 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.01 4.15 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 0.31 0.00 0.00 0.56 0.00 0.00 27 L 7.89 4.07 0.00 1.64 1.76 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.03 4.30 0.00 2.99 3.03 0.00 0.00 5.96 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.93 3.98 0.00 1.87 2.12 0.00 2.94 0.00 0.00 3.05 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 30 Q 7.97 4.08 0.00 2.25 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 31 K 7.87 4.20 0.00 1.97 1.85 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.46 7.81 32 L 7.71 3.85 0.00 1.60 1.51 0.82 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 7.48 4.48 0.00 3.18 3.05 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 34 R 8.65 3.93 0.00 1.91 1.97 0.00 3.11 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 1.81 1.70 0.00 35 R 7.86 4.02 0.00 1.87 1.98 0.00 3.25 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 36 E 8.55 4.40 0.00 2.12 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 2.49 2.43 0.00 37 L 8.16 4.57 0.00 1.84 1.95 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.72 3.82 1.98 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 1.38 0.11 0.86 0.00 0.00 39 D 8.28 4.36 0.00 2.77 2.71 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 0.00 0.00 0.00 40 P 0.00 4.25 0.00 2.17 2.11 0.00 3.65 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.19 0.00 41 A 7.80 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.90 3.75 1.85 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 1.56 0.78 0.76 0.00 0.00 43 A 8.11 3.95 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 44 Q 7.87 3.94 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.20 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 45 A 7.95 4.43 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.96 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 0.00 0.00 0.00 47 G 8.01 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.94 4.60 0.00 1.82 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.96 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 49 I 8.25 3.97 1.82 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 1.17 0.40 0.88 0.00 0.00 50 V 9.26 3.97 2.13 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 0.73 0.00 0.00 0.90 0.00 0.00 51 K 7.66 4.72 0.00 1.71 1.66 0.00 1.51 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.24 1.43 7.81 52 T 8.47 4.84 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 1.23 0.00 0.00 53 T 9.05 4.70 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 1.19 0.00 0.00 54 G 8.83 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 55 D 7.47 4.68 0.00 2.82 2.73 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.12 3.78 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 66 A 7.69 3.86 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.10 2.58 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.68 3.73 0.00 1.74 1.71 1.02 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.99 3.88 0.00 1.79 1.88 0.00 3.12 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 70 C 8.36 3.97 0.00 2.97 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.66 3.91 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 72 L 8.20 3.43 0.00 1.66 1.45 -0.66 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.82 3.99 0.00 2.17 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 0.00 2.27 2.31 0.00 74 I 7.42 3.68 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.76 0.80 0.00 0.00 75 Q 7.86 4.25 0.00 2.09 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.98 0.00 0.00 0.00 0.00 0.00 2.62 2.75 0.00 76 Q 7.87 4.33 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.11 0.00 0.00 0.00 0.00 0.00 2.54 2.66 0.00 77 A 7.68 4.03 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 *79 Q 8.10 4.16 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.45 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 80 Q 7.74 4.02 0.00 2.41 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.64 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 81 R 8.23 4.24 0.00 1.75 2.20 0.00 3.36 0.00 0.00 3.34 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.84 0.00 82 E 7.76 4.66 0.00 2.13 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 2.30 0.00 83 E 8.12 4.09 0.00 2.23 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 2.33 2.27 0.00 84 D 7.92 4.64 0.00 2.82 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 85 T 7.64 3.99 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 86 P 0.00 4.39 0.00 2.33 2.00 0.00 3.84 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.14 0.00 87 R 8.75 3.87 0.00 1.78 2.02 0.00 3.18 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 88 K 7.95 4.37 0.00 1.81 1.87 0.00 1.51 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.44 7.81 89 E 8.18 4.66 0.00 2.00 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 0.00 2.28 2.37 0.00 90 R 7.74 4.44 0.00 1.81 1.88 0.00 3.18 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.98 0.00 91 I 8.24 4.51 1.95 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.68 0.69 0.00 0.00 92 Q 8.33 4.67 0.00 1.83 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 93 Y 8.56 4.94 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 94 R 8.78 4.95 0.00 1.84 2.03 0.00 3.32 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.63 0.00 95 I 8.26 5.12 1.96 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 1.22 0.90 1.00 0.00 0.00 96 G 9.54 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.82 5.23 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.68 0.90 0.00 0.00 98 N 9.23 5.37 0.00 2.82 2.63 0.00 0.00 6.59 7.68 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 99 I 7.94 5.52 1.87 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 1.37 1.53 0.92 0.00 0.00 100 G 7.91 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 0.00 101 D 8.71 5.16 0.00 2.59 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 0.00 102 I 8.45 4.75 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.93 1.00 0.00 0.00 103 V 8.47 4.68 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 0.98 0.00 0.00 0.95 0.00 0.00 104 L 9.33 5.04 0.00 1.55 1.64 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.85 4.60 0.00 2.03 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 2.20 2.31 0.00 106 D 9.77 4.41 0.00 2.89 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 0.00 107 G 8.38 3.92 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 0.00 116 V 7.85 3.57 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 1.04 0.00 0.00 0.95 0.00 0.00 117 A 7.94 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.04 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.12 3.86 0.00 1.95 2.12 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 120 L 8.03 4.04 0.00 1.98 1.87 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.06 3.95 0.00 2.17 2.18 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 2.45 2.53 0.00 122 A 7.92 4.16 1.41 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 0.00 0.00 0.00 123 I 7.44 4.11 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 132 S 8.60 4.75 0.00 3.97 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 0.00 133 D 8.83 4.60 0.00 3.24 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 0.00 134 I 7.88 3.67 1.88 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 1.54 0.43 0.90 0.00 0.00 135 V 7.33 3.46 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 0.87 0.00 0.00 0.91 0.00 0.00 136 H 8.10 3.65 0.00 2.72 2.88 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 7.97 3.78 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 138 I 7.57 3.83 1.78 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 1.52 0.62 0.85 0.00 0.00 139 T 7.84 4.27 4.11 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 1.13 0.00 0.00 140 Q 7.67 3.75 0.00 1.84 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.03 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 141 D 7.86 4.48 0.00 2.62 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 0.00 142 R 7.57 4.54 0.00 1.91 1.88 0.00 3.33 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 143 V 7.27 4.27 2.22 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 0.85 0.00 0.00 0.89 0.00 0.00 144 S 8.80 4.29 0.00 3.91 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 0.00 145 E 8.01 4.21 0.00 1.81 1.85 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 2.25 1.93 0.00 146 P 0.00 4.78 0.00 2.14 2.12 0.00 3.92 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 147 F 9.03 5.22 0.00 3.06 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 0.00 148 T 8.81 4.77 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 1.21 0.00 0.00 149 D 8.74 3.50 0.00 1.59 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.40 4.11 0.00 1.59 1.60 0.95 1.14 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 0.00 151 G 8.34 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.90 4.83 0.00 1.51 1.58 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 8.75 4.42 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 154 K 8.78 4.51 0.00 1.74 1.71 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.49 7.81 155 V 8.26 4.37 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 1.01 0.00 0.00 0.94 0.00 0.00 156 K 8.59 3.91 0.00 1.91 1.85 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.51 7.81 157 N 9.00 4.21 0.00 2.92 3.00 0.00 0.00 6.79 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 0.00 158 I 7.44 4.37 2.01 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 1.31 0.79 0.98 0.00 0.00 159 T 8.48 3.89 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 0.00 160 R 7.67 4.09 0.00 1.81 1.88 0.00 3.22 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 161 P 0.00 4.53 0.00 2.06 2.04 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 162 I 8.49 4.21 1.88 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 1.14 0.51 0.95 0.00 0.00 163 R 8.61 4.68 0.00 1.87 1.87 0.00 3.25 0.00 0.00 3.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.44 0.00 164 V 8.24 4.86 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 1.03 0.00 0.00 0.98 0.00 0.00 165 W 9.39 5.26 0.00 3.17 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 Q 9.70 5.39 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 167 W 9.58 4.70 0.00 1.87 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 0.00 168 V 6.72 3.95 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 0.59 0.00 0.00 0.57 0.00 0.00 169 P 0.00 3.86 0.00 1.93 2.03 0.00 3.35 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.09 0.00 170 D 8.98 4.33 0.00 2.64 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 A 7.92 4.14 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 * Residues marked with a * may have inaccurate shift predictions.