NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.1393 8.2493 123.5843 51.3316 20.3579 175.1677 5 D 4.4777 8.5427 117.8183 52.2716 36.3429 171.7328 6 M 4.4108 8.2263 121.6105 55.9118 34.4103 175.7816 7 E 4.0176 8.5463 124.1797 56.3051 30.5262 173.9618 8 V 4.7213 8.2210 125.8139 60.3453 35.2162 173.5831 9 I 4.3805 8.1007 121.6912 58.6446 37.7160 175.4685 10 E 4.2584 8.9571 129.8739 55.2476 29.6905 177.2214 11 L 4.6920 8.0659 128.9916 52.1267 40.2923 176.7312 12 N 4.5474 9.3958 117.0592 53.7357 39.7976 173.4181 13 K 4.7584 8.2010 122.4863 55.4447 35.7492 174.8594 14 C 5.0864 7.7882 121.7570 56.7946 32.0731 172.8001 15 T 3.9815 8.8361 112.7888 65.6374 66.7833 177.1796 16 S 4.7203 7.4757 113.8321 57.3160 62.9565 173.0878 17 G 3.9504 7.4287 106.5938 46.3699 0.0000 171.9518 18 Q 4.8713 8.2379 118.5194 56.1596 31.4061 174.2446 19 S 4.9832 8.4281 123.6874 56.8619 67.2065 171.1458 20 F 4.9856 7.6250 108.7380 57.2088 39.7291 173.7249 21 E 4.2959 9.0215 124.4393 55.5557 30.9091 176.5107 22 V 4.8982 7.7683 122.8076 60.6401 31.3183 176.5697 23 I 3.7783 7.6902 117.2195 61.1032 36.4626 176.3884 24 L 4.5352 8.7564 127.9242 55.9680 43.4450 178.2797 25 K 4.5224 7.8304 122.1784 52.6273 33.4348 174.4956 26 P 4.0561 0.0000 0.0000 58.0324 32.6773 175.4574 27 P 4.1291 0.0000 0.0000 63.8812 31.0934 175.5123 28 S 3.3709 7.7781 111.4179 58.8744 61.9550 172.5248 *29 F 4.1256 8.6812 124.9223 57.5205 39.7818 171.2345 30 D 4.6157 8.8602 124.4824 52.7684 38.9618 174.8038 *45 P 4.2517 0.0000 0.0000 67.3073 32.4874 178.1345 46 S 3.7998 7.4454 120.3386 61.2226 63.7839 172.8566 47 L 3.8468 7.9178 130.0354 53.2748 40.3202 175.9655 48 E 4.1000 9.0074 125.1068 58.7597 29.8410 178.8490 49 E 3.6159 7.8538 119.6865 58.9855 30.5398 178.1166 50 I 4.3472 8.0522 118.8544 58.9650 33.8602 180.7383 51 Q 4.6169 7.6303 118.7940 55.1642 32.0872 176.4522 52 K 4.2550 7.8767 117.2964 57.4012 32.8679 178.9534 53 K 3.8145 8.0563 120.3967 59.0669 32.0780 178.3168 54 L 4.0821 7.9502 120.2101 56.7269 42.3030 177.1878 55 E 5.2127 7.6663 115.7203 56.4109 30.6881 176.9108 56 A 4.4332 7.5889 123.8620 54.3211 19.4176 179.6417 57 A 3.9603 7.9112 119.0948 55.3381 18.3699 178.9717 58 E 4.0958 7.8355 116.6228 58.2795 28.9562 178.3012 59 E 3.9370 7.9390 119.3597 59.1385 29.8370 178.2925 60 R 4.4432 7.8433 116.4849 57.4062 30.7226 178.5796 61 R 3.9003 7.6520 118.2870 59.3683 29.8284 178.4546 62 K 4.3473 7.8521 119.1668 57.9382 31.7678 178.4922 63 Y 4.1554 7.2681 120.2556 60.3271 39.3389 176.6847 64 Q 3.8924 7.9204 120.0077 59.1634 28.7975 177.7653 65 E 3.9378 8.5477 120.5242 59.1050 29.6004 177.8703 66 A 4.4393 7.4058 118.0916 52.3947 18.2575 177.9816 67 E 4.1017 7.8872 124.6215 59.0068 31.6166 178.2213 68 L 4.4912 7.9339 115.6324 54.4993 40.5914 178.7192 69 L 4.4897 7.8461 121.4795 57.6406 43.3685 178.0605 70 K 4.0854 7.3978 115.7543 57.7583 32.3333 176.4946 71 H 4.8295 8.7116 117.2179 56.5395 30.3159 175.8349 72 L 4.1743 7.5408 118.7405 56.4711 43.4333 176.7159 73 A 4.3237 8.9853 121.1214 52.4818 17.5363 176.9039 74 E 4.4830 7.4431 117.2969 58.6910 32.4029 177.4878 75 K 3.8618 7.7134 119.9820 58.5632 32.8754 178.3554 76 R 4.0827 7.6935 119.2149 57.9652 29.2863 176.9249 77 E 4.2677 8.1079 118.4749 57.7816 30.4405 177.0492 78 H 4.7854 8.0394 120.6400 57.9635 30.2787 176.3669 79 E 3.9736 8.7400 121.5639 59.2969 29.3022 178.6872 80 R 3.8925 7.9956 118.2320 59.8603 29.9764 177.3591 81 E 4.1184 9.1195 120.9282 58.3705 28.8137 181.7667 82 V 3.2330 7.3175 124.7255 65.4960 33.4532 179.8672 83 I 4.0861 7.9557 119.9966 64.9114 35.0725 179.8036 84 Q 4.4525 7.9600 120.6804 57.7553 29.4747 178.4137 85 K 4.2961 9.0829 121.2288 57.4208 31.5802 179.8991 86 A 4.7269 7.6572 119.6587 54.4362 20.7269 178.7983 87 I 3.6552 7.4647 118.2017 65.2341 37.2530 178.7224 88 E 4.0692 9.4276 119.5969 60.4851 29.3068 179.6405 89 E 4.5393 7.9032 114.5760 57.0526 30.2765 177.3034 90 N 4.6389 8.2838 119.6177 56.2587 39.6769 176.3073 91 N 4.4928 8.0997 117.0516 55.0523 37.0900 175.9497 92 N 4.5309 7.6811 115.3140 55.0448 38.8360 175.3354 93 F 4.7411 8.3488 121.3510 59.8619 40.9902 176.9060 94 I 3.2361 7.9866 121.2034 65.1397 36.9448 178.2702 95 K 4.3953 7.7910 118.5249 55.0174 31.8389 179.7225 96 M 4.3035 7.8320 120.2702 58.4451 32.4934 177.0252 97 A 4.2267 7.5729 118.0713 52.0236 19.4225 178.2543 98 K 4.0940 7.6886 121.1999 58.6489 32.5005 177.0042 99 E 4.5175 7.9477 117.1917 57.1984 31.5101 178.2423 100 K 4.1037 7.8819 120.0576 55.9395 32.9697 181.4108 101 L 4.2224 8.1134 118.0438 55.9703 41.4572 178.0938 102 A 4.1065 9.5478 114.8857 53.7726 18.6416 179.8947 103 Q 4.5610 7.8508 114.7881 55.5030 31.0201 179.6674 104 K 4.3494 9.4658 116.8080 57.6380 32.3532 176.7578 105 M 4.4938 7.9405 115.8249 55.7146 33.3606 175.6950 106 E 4.6122 8.0154 116.2974 57.1113 30.0549 176.6925 107 S 4.3667 7.9222 113.3025 59.7752 62.9394 175.0947 108 N 4.4201 7.3971 118.9358 56.5298 38.7433 176.3303 109 K 3.8334 7.8166 122.4822 60.6671 32.2727 178.9818 110 E 4.0726 7.7776 118.2331 60.4426 29.4376 180.4679 111 N 4.5598 8.0425 116.0426 57.0185 39.1753 176.7737 112 R 4.0330 7.9305 119.5247 59.6074 30.1731 177.9405 113 E 3.9349 7.8923 118.3582 59.0068 29.0656 178.4683 114 A 4.6373 7.6054 117.2634 52.4934 19.2211 177.5652 115 H 4.7379 10.8525 117.3291 57.1265 29.2242 177.8410 116 L 4.0384 7.7700 124.5974 59.1127 41.0763 183.8759 117 A 4.1688 7.6960 120.0352 55.3773 18.0704 179.6664 118 A 3.9976 7.5526 117.1656 55.2423 18.5877 179.3965 119 M 4.1040 7.5055 116.5712 58.9218 32.4561 178.5521 120 L 4.0174 8.2786 119.4787 57.5743 41.7448 178.6176 121 E 4.1858 8.3763 117.5386 57.5687 29.5535 177.0893 122 R 4.1748 7.6459 117.6077 58.3169 30.8526 177.8367 123 L 4.1843 8.3129 118.3307 57.7364 42.2978 178.7784 124 Q 4.0029 8.0710 115.6783 57.5004 29.0370 177.8212 125 E 4.4915 8.5628 117.6482 55.3937 31.3707 176.6439 126 K 4.4105 7.7460 117.4947 56.9304 32.4352 176.6606 127 D 4.6436 7.8273 119.7093 57.6230 41.8860 178.7443 128 K 4.1863 7.8191 119.4589 58.0364 31.7278 179.2627 129 H 4.8702 8.0566 119.8230 58.9379 30.5930 176.5551 130 A 3.9272 7.3888 123.6682 55.0575 18.2784 179.9646 131 E 4.1394 8.1864 119.7964 61.9566 29.1726 184.0818 132 E 4.3710 8.1367 115.0110 57.5915 30.1654 179.6448 133 V 4.5902 7.1165 109.1071 62.3893 32.2043 177.5386 134 R 4.5574 7.8215 123.7551 57.7300 31.7495 178.2129 135 K 4.2325 8.1138 121.3456 58.5564 31.7453 180.0167 136 N 4.9846 7.5123 117.2454 55.8207 40.0344 177.3677 137 K 4.2237 7.8430 127.4184 60.1069 32.5317 184.4475 138 E 4.5826 8.6693 118.6812 55.2564 28.8292 179.7076 139 L 4.5468 7.4874 119.9755 55.8346 47.5172 177.9905 140 K 4.2682 8.0449 123.3835 55.5270 31.6492 182.1843 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 4 A 8.25 4.14 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 5 D 8.54 4.48 0.00 3.01 3.04 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 6 M 8.23 4.41 0.00 2.10 2.39 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 7 E 8.55 4.02 0.00 2.13 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 2.15 2.27 0.00 8 V 8.22 4.72 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 9 I 8.10 4.38 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 1.11 0.65 0.91 0.00 0.00 10 E 8.96 4.26 0.00 1.96 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 2.31 2.47 0.00 11 L 8.07 4.69 0.00 1.63 1.60 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 12 N 9.40 4.55 0.00 2.81 3.14 0.00 0.00 6.81 6.93 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 13 K 8.20 4.76 0.00 1.74 1.68 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.46 7.81 14 C 7.79 5.09 0.00 2.99 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 15 T 8.84 3.98 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 16 S 7.48 4.72 0.00 3.83 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 G 7.43 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 18 Q 8.24 4.87 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 19 S 8.43 4.98 0.00 3.41 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 20 F 7.63 4.99 0.00 3.00 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 21 E 9.02 4.30 0.00 2.12 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 2.31 2.27 0.00 22 V 7.77 4.90 2.31 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 0.86 0.00 0.00 1.13 0.00 0.00 23 I 7.69 3.78 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 1.30 0.69 0.91 0.00 0.00 24 L 8.76 4.54 0.00 1.58 1.68 0.96 0.54 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 25 K 7.83 4.52 0.00 1.75 1.54 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.25 1.02 7.81 26 P 0.00 4.06 0.00 2.20 1.96 0.00 3.59 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 27 P 0.00 4.13 0.00 2.17 2.20 0.00 3.92 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 1.99 1.97 0.00 28 S 7.78 3.37 0.00 4.17 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *29 F 8.68 4.13 0.00 2.32 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 0.00 0.00 0.00 0.00 30 D 8.86 4.62 0.00 2.69 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 0.00 0.00 0.00 *45 P 0.00 4.25 0.00 2.06 2.10 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 46 S 7.45 3.80 0.00 3.65 3.70 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 47 L 7.92 3.85 0.00 1.84 1.65 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 48 E 9.01 4.10 0.00 2.04 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 2.37 2.35 0.00 49 E 7.85 3.62 0.00 1.95 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 2.30 2.42 0.00 50 I 8.05 4.35 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 1.30 0.87 0.91 0.00 0.00 51 Q 7.63 4.62 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.65 0.00 52 K 7.88 4.26 0.00 1.76 1.84 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.42 1.36 7.81 53 K 8.06 3.81 0.00 1.75 1.80 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.37 7.81 54 L 7.95 4.08 0.00 1.76 1.64 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.67 5.21 0.00 2.18 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 2.35 2.28 0.00 56 A 7.59 4.43 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 57 A 7.91 3.96 1.35 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 0.00 0.00 0.00 58 E 7.84 4.10 0.00 1.91 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 2.31 2.32 0.00 59 E 7.94 3.94 0.00 2.28 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 60 R 7.84 4.44 0.00 1.92 2.00 0.00 3.20 0.00 0.00 3.27 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 61 R 7.65 3.90 0.00 1.93 1.93 0.00 3.25 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 62 K 7.85 4.35 0.00 2.09 1.90 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.53 7.81 63 Y 7.27 4.16 0.00 3.22 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 7.92 3.89 0.00 2.41 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 65 E 8.55 3.94 0.00 1.99 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 2.29 2.47 0.00 66 A 7.41 4.44 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 67 E 7.89 4.10 0.00 1.63 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 1.97 2.10 0.00 68 L 7.93 4.49 0.00 1.72 1.53 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.85 4.49 0.00 1.78 1.61 0.91 0.53 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 70 K 7.40 4.09 0.00 1.87 1.77 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.51 7.81 71 H 8.71 4.83 0.00 3.07 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.54 4.17 0.00 1.72 1.60 0.83 1.07 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 73 A 8.99 4.32 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 74 E 7.44 4.48 0.00 2.04 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 2.25 2.28 0.00 75 K 7.71 3.86 0.00 1.81 1.81 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.32 7.81 76 R 7.69 4.08 0.00 2.02 1.75 0.00 3.16 0.00 0.00 3.08 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 77 E 8.11 4.27 0.00 1.96 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 2.29 2.36 0.00 78 H 8.04 4.79 0.00 3.25 3.37 0.00 5.81 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.74 3.97 0.00 2.38 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 2.32 2.36 0.00 80 R 8.00 3.89 0.00 1.88 2.07 0.00 3.47 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 81 E 9.12 4.12 0.00 2.26 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 0.00 2.28 2.34 0.00 82 V 7.32 3.23 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 0.77 0.00 0.00 0.93 0.00 0.00 83 I 7.96 4.09 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 1.58 0.53 0.91 0.00 0.00 84 Q 7.96 4.45 0.00 2.33 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.99 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 85 K 9.08 4.30 0.00 1.89 1.73 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.33 7.81 86 A 7.66 4.73 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 87 I 7.46 3.66 1.87 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 1.39 1.58 1.00 0.00 0.00 88 E 9.43 4.07 0.00 2.02 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 2.24 2.19 0.00 89 E 7.90 4.54 0.00 2.14 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 2.44 2.35 0.00 90 N 8.28 4.64 0.00 2.85 3.01 0.00 0.00 6.89 6.40 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 91 N 8.10 4.49 0.00 2.97 3.08 0.00 0.00 6.15 6.96 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 92 N 7.68 4.53 0.00 2.79 2.99 0.00 0.00 6.73 7.33 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 93 F 8.35 4.74 0.00 3.06 3.27 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 94 I 7.99 3.24 1.91 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 1.26 0.85 0.89 0.00 0.00 95 K 7.79 4.40 0.00 1.80 1.67 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.24 7.81 96 M 7.83 4.30 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 97 A 7.57 4.23 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 98 K 7.69 4.09 0.00 1.88 1.77 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.39 7.81 99 E 7.95 4.52 0.00 2.08 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 2.21 2.18 0.00 100 K 7.88 4.10 0.00 1.82 1.78 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.26 7.81 101 L 8.11 4.22 0.00 1.75 1.20 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 102 A 9.55 4.11 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 0.00 103 Q 7.85 4.56 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.16 1.87 0.00 104 K 9.47 4.35 0.00 1.77 2.05 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.35 7.81 105 M 7.94 4.49 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 106 E 8.02 4.61 0.00 2.18 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 2.30 2.26 0.00 107 S 7.92 4.37 0.00 3.85 3.87 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 0.00 108 N 7.40 4.42 0.00 2.84 2.92 0.00 0.00 6.61 7.11 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 0.00 109 K 7.82 3.83 0.00 1.85 1.82 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.63 7.81 110 E 7.78 4.07 0.00 2.14 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 2.24 2.18 0.00 111 N 8.04 4.56 0.00 3.11 2.88 0.00 0.00 7.15 8.42 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 0.00 112 R 7.93 4.03 0.00 1.94 1.91 0.00 3.28 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 113 E 7.89 3.93 0.00 2.31 2.03 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 2.35 2.37 0.00 114 A 7.61 4.64 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 0.00 115 H 10.85 4.74 0.00 3.37 3.30 0.00 5.61 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.77 4.04 0.00 1.65 1.65 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 117 A 7.70 4.17 1.35 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 0.00 0.00 0.00 118 A 7.55 4.00 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 0.00 119 M 7.51 4.10 0.00 2.38 2.07 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 120 L 8.28 4.02 0.00 1.71 1.70 0.92 0.74 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 0.00 121 E 8.38 4.19 0.00 1.90 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 122 R 7.65 4.17 0.00 2.15 2.09 0.00 3.13 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 123 L 8.31 4.18 0.00 1.94 1.68 0.97 0.89 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 0.00 124 Q 8.07 4.00 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 125 E 8.56 4.49 0.00 2.03 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 2.21 2.34 0.00 126 K 7.75 4.41 0.00 1.92 1.78 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.58 7.81 127 D 7.83 4.64 0.00 2.86 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 0.00 128 K 7.82 4.19 0.00 1.86 1.70 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.31 7.81 129 H 8.06 4.87 0.00 3.22 3.49 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.39 3.93 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 0.00 131 E 8.19 4.14 0.00 2.02 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 2.24 2.19 0.00 132 E 8.14 4.37 0.00 1.89 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.90 0.00 133 V 7.12 4.59 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 0.87 0.00 0.00 0.92 0.00 0.00 134 R 7.82 4.56 0.00 1.95 1.90 0.00 3.16 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 135 K 8.11 4.23 0.00 1.85 1.73 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.07 7.81 136 N 7.51 4.98 0.00 2.87 2.97 0.00 0.00 7.04 6.56 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 0.00 137 K 7.84 4.22 0.00 1.80 1.79 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.44 1.07 7.81 138 E 8.67 4.58 0.00 1.93 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 2.26 2.12 0.00 139 L 7.49 4.55 0.00 1.61 1.53 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 140 K 8.04 4.27 0.00 1.79 1.60 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.38 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.