NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5461 8.2629 120.6067 55.5019 33.7134 173.7313 2 K 4.8272 7.9623 128.2957 53.1520 33.7942 171.7591 3 I 5.0056 9.0201 126.7785 58.4789 40.7997 173.9305 4 L 5.0512 9.1206 128.9286 53.6709 44.0742 175.0319 5 V 4.7935 8.9874 127.0203 61.5682 33.5624 174.3664 6 I 5.0510 9.2282 130.1778 60.0096 39.1722 174.6492 7 Q 4.7643 9.5581 127.8085 54.7746 30.5121 176.5758 8 G 4.1608 8.2555 111.9202 44.1204 0.0000 171.5135 9 P 4.5524 0.0000 0.0000 64.0167 31.6417 177.9067 10 N 4.2434 9.0236 115.8479 54.6170 38.3873 176.5233 11 L 3.5398 7.7928 117.5624 57.7105 41.4553 178.3590 12 N 4.4299 8.0654 114.8256 55.2068 37.7678 175.7317 13 M 4.4512 8.7049 120.1244 55.2557 32.0589 175.5082 14 L 4.3143 7.4412 120.2279 55.4112 42.1990 177.4006 15 G 4.0113 9.0279 114.6638 46.7316 0.0000 174.9609 *16 H 4.5224 8.2598 117.0883 56.8458 28.5743 180.5117 17 R 3.7011 7.1792 117.4895 59.3570 29.5901 180.4423 *23 G 3.7832 7.5548 109.9633 46.0858 0.0000 173.0349 24 M 4.4498 8.3418 115.3023 54.4970 29.8636 172.2780 25 V 4.4692 7.2366 119.8960 61.0499 35.2584 175.4627 26 T 4.7711 9.0812 118.6620 59.8625 71.3284 175.9277 27 L 3.6877 8.1481 122.6880 58.2994 42.0927 178.3939 28 D 4.2058 8.0024 118.3322 57.8258 40.7715 178.9617 29 Q 3.9883 7.8434 117.8118 58.9946 28.7625 179.2146 30 I 3.5852 7.2803 120.1989 64.5827 37.1299 178.1959 31 H 3.8158 7.8243 117.2869 58.6716 28.3371 177.7921 32 E 4.0646 8.4379 119.4263 58.9688 29.1670 179.3235 33 I 3.6981 7.6283 121.3385 64.5949 37.1174 177.7676 34 M 4.5619 7.7737 120.5155 58.0918 31.2896 178.4349 35 Q 4.1221 8.2596 117.7076 59.8772 28.9885 179.6218 36 T 4.2258 8.2588 116.3995 66.8398 68.4373 176.3420 37 F 4.0938 8.7251 122.7347 61.2041 39.4737 177.4140 38 V 3.7107 8.4139 120.5174 66.7088 31.2982 178.6940 39 K 3.9975 9.1348 122.5703 59.5690 31.5773 180.2069 40 Q 4.4645 8.0763 118.9609 58.7224 29.2377 177.7932 41 G 3.4759 8.1342 104.9522 45.1155 0.0000 172.3342 42 N 4.1720 8.0160 117.6731 54.0770 38.1757 173.3386 43 L 4.2825 7.2210 114.1590 53.2224 42.3466 177.4946 44 D 4.4712 8.4602 123.3709 54.2262 39.1460 173.8951 45 V 5.1231 7.5486 122.0135 59.9692 34.4316 173.8227 46 E 4.2047 8.8027 128.8000 56.1942 30.4070 175.9835 47 L 5.0612 8.3981 124.2668 52.8688 44.4951 175.4482 48 E 4.3468 8.5460 122.2918 54.2854 33.0685 174.2302 49 F 5.4972 8.3992 124.1725 55.8607 41.5469 174.9151 50 F 5.0091 9.4491 124.8583 56.7221 42.7595 172.7928 51 Q 5.0447 8.2618 126.5348 54.6683 31.4829 174.0617 52 T 4.5407 8.7267 119.2657 60.8325 70.9170 172.8655 53 N 4.7790 9.0006 121.7505 52.8744 39.0851 174.6511 54 F 4.8200 8.8147 119.5026 55.5641 40.8643 175.6310 55 E 3.6764 9.2728 127.1164 59.5641 29.1863 179.0260 56 G 3.7451 8.2364 104.7695 48.0812 0.0000 175.1951 57 E 4.4322 8.4602 120.5137 58.7475 29.4584 179.5011 58 I 3.8904 7.9663 119.8700 64.4336 37.3007 178.0985 59 I 3.6875 7.7128 120.5198 64.6724 36.9513 178.2373 60 D 4.3211 8.5795 119.9445 57.2186 40.6881 178.9107 61 K 3.9313 7.7811 121.4592 58.7570 31.9220 178.9859 62 I 3.6011 7.8517 119.4885 64.6077 37.1501 178.0698 63 Q 4.0961 7.9081 117.3970 59.0975 28.7392 178.6680 64 E 4.0900 8.2682 119.5929 58.6570 29.4353 179.2797 65 S 3.9587 7.6468 114.4753 61.2855 62.7645 176.6730 66 V 3.5205 7.2979 120.6045 64.4658 31.6361 175.6669 67 G 4.1307 8.4362 108.4242 45.3903 0.0000 173.1380 68 S 3.3102 8.8880 111.2191 58.1775 64.6441 177.0377 69 D 4.3927 8.5088 134.8355 56.0967 40.7403 176.2964 70 Y 4.7759 8.3012 119.4391 56.9014 38.6726 175.1508 71 E 4.4588 9.0654 125.0555 57.5519 30.7237 176.3932 72 G 4.3059 7.8200 104.8298 45.2703 0.0000 172.0565 73 I 5.2935 8.7780 121.3404 59.3653 40.8613 174.6604 74 I 5.0196 8.7655 127.5857 59.7252 40.1001 174.7017 75 I 4.9553 8.7548 125.7848 60.0702 42.1521 173.0501 76 N 5.5750 9.3740 129.2943 50.2191 38.6947 173.0803 77 P 4.5131 0.0000 0.0000 62.6978 32.8761 178.0383 78 G 3.7254 8.3572 108.2642 46.0146 0.0000 175.1588 79 A 3.6389 8.5277 119.4492 55.7553 18.2078 179.5841 80 F 4.6789 8.0440 115.7826 60.2176 38.9414 177.8409 81 S 4.6335 8.7347 117.9418 61.5907 62.4847 176.2128 82 H 4.7331 7.8204 116.1079 57.0372 28.8451 176.2186 83 T 4.7526 7.9210 107.7698 61.3048 70.6905 174.8381 84 S 4.4066 8.6440 117.8126 56.8611 60.8631 173.9523 85 I 3.3858 7.8942 128.2417 63.6501 37.1032 177.1016 86 A 3.9793 7.8978 120.9655 55.5867 18.1526 179.5865 87 I 3.6813 8.1513 117.9668 64.3416 37.1229 178.7302 88 A 3.9991 7.8019 121.3758 55.3240 18.0638 179.2185 89 D 4.3212 8.5869 116.4498 57.4674 41.0092 179.0558 90 A 4.0930 7.9436 121.0869 55.3896 18.6647 179.4722 91 I 3.6071 7.9877 118.5063 65.2080 36.9678 178.3077 92 M 4.2559 8.0334 117.8423 57.1129 31.9777 177.5600 93 L 4.5125 7.9249 118.0392 54.5214 42.0118 177.9560 94 A 3.9341 7.8031 121.7403 52.7703 19.2929 177.7909 95 G 3.9860 7.3963 105.3824 45.0617 0.0000 173.1506 96 K 4.4611 7.3963 115.9221 55.5689 34.9242 174.3612 97 P 4.2813 0.0000 0.0000 63.5712 32.5139 175.0521 98 V 4.8633 8.5377 123.8259 61.0965 34.4887 173.8774 99 I 4.5968 8.9009 128.9095 59.4651 39.8769 174.2787 100 E 4.7803 8.7422 128.4413 55.4731 31.1755 175.1306 101 V 4.7235 8.4119 125.8952 61.3750 34.9922 173.8640 102 H 4.9217 8.8097 122.7357 54.1120 32.6161 174.2339 103 L 4.1016 8.9376 123.4281 58.1377 42.4198 178.0305 104 T 4.4622 7.7661 106.4170 60.5808 70.6165 173.8515 105 N 4.6162 8.1128 120.1080 51.7269 37.4850 174.9301 106 I 3.8628 7.8923 118.6186 62.3086 38.1059 178.6075 107 Q 3.8741 7.7624 119.3903 58.6093 28.5764 176.8686 108 A 4.6033 8.2937 118.9256 51.7603 19.7755 177.3890 109 R 4.5868 7.1977 117.0360 56.8519 31.2406 176.0948 110 E 3.9212 8.2428 123.9034 56.8139 30.0706 176.6937 111 E 3.6378 8.2574 120.8802 59.6693 29.9618 179.2852 112 F 4.3226 7.8502 114.0081 59.3735 37.8172 176.1460 113 R 3.7137 6.9503 118.5924 56.4011 29.7561 177.4368 114 K 4.0544 7.5773 117.8307 58.2901 32.5350 176.5091 115 N 4.1962 7.7834 119.4327 54.1837 39.6679 174.9625 116 S 4.7366 8.2712 117.4188 56.1993 64.4968 174.2268 117 Y 4.3872 8.2830 127.9963 61.5832 37.8500 178.6531 118 T 4.0698 8.2557 110.3459 64.9140 68.4847 176.2679 119 G 3.6267 8.7186 107.7294 47.5345 0.0000 174.9651 120 A 4.1648 7.6946 121.8458 54.9095 18.3686 179.3986 121 A 4.0830 7.5913 117.6843 54.6015 17.7726 178.3496 122 C 4.2563 7.8607 115.1567 59.6186 28.8664 175.3104 123 G 3.8854 8.1400 110.9272 48.8803 0.0000 173.8465 124 G 4.1869 7.2623 101.9291 45.3732 0.0000 172.8927 125 V 5.0399 8.3085 120.1476 61.0212 34.7061 174.3863 126 I 4.7476 8.6737 128.8586 59.7950 39.4226 174.5868 127 M 5.0761 8.9143 123.1625 55.0031 34.0660 174.9034 128 G 3.7503 9.0989 110.0992 45.9320 0.0000 173.7603 129 F 4.4956 8.1805 114.9707 55.6651 40.3806 178.0896 130 G 3.7957 7.9380 110.7261 46.1722 0.0000 173.7925 131 P 4.5327 0.0000 0.0000 65.8063 32.0271 178.6369 132 L 3.7368 8.0717 119.4945 58.1769 42.2596 179.1645 133 G 3.6701 8.2673 105.5506 47.6806 0.0000 175.4111 134 Y 3.9926 8.6821 119.7824 61.1150 37.8751 177.8945 135 N 3.8098 8.0769 116.8540 56.5278 38.5744 176.8784 136 M 3.7838 8.1657 120.0689 58.5043 31.9623 178.8689 137 A 3.9205 7.8204 120.5363 54.9370 18.6518 179.3519 138 L 3.9341 7.8565 117.6174 58.3972 41.5582 179.2131 139 M 4.1228 8.4090 117.9203 58.9910 32.0796 178.2399 140 A 4.0022 7.7314 120.0285 55.1655 18.5507 179.0585 141 M 3.9303 8.4832 117.1857 58.9466 32.3062 178.2330 142 V 3.6057 7.8036 118.2568 66.5557 31.6331 177.7971 143 N 4.3844 7.8538 115.6134 56.3284 38.3676 177.6307 144 I 3.7964 7.9242 121.2271 64.2571 37.2937 178.3575 145 L 4.0161 8.3187 120.0242 57.7907 41.3083 179.4162 146 A 4.0209 8.0281 120.6847 55.0584 18.4093 179.3879 147 E 3.8972 7.9845 117.1943 59.5718 29.8581 178.3689 148 M 4.1206 8.5323 119.1506 58.9131 30.5859 179.0093 149 K 3.9925 8.2282 117.7888 59.4316 32.1712 179.3434 150 A 4.3643 7.8086 121.2246 55.0360 18.2555 179.5480 151 F 4.3641 8.1775 118.9243 61.6481 39.1495 177.4119 152 Q 3.7889 8.2941 116.8407 57.8657 27.4764 177.7605 153 E 4.2559 7.5791 118.5112 57.4878 30.0439 178.1170 154 A 3.9811 7.6630 120.3786 55.4732 18.7176 179.3996 155 Q 4.0075 8.1340 117.2023 58.5149 28.7460 178.4906 156 K 3.9615 7.2944 116.4919 58.8547 32.6103 177.3793 157 N 4.6549 7.3792 114.5058 54.2252 39.3226 174.3627 158 N 4.5431 8.8576 123.8409 53.5681 39.3499 173.5327 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 8.26 4.55 0.00 2.39 2.05 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.56 0.00 2 K 7.96 4.83 0.00 1.48 1.67 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.30 1.36 7.81 3 I 9.02 5.01 1.89 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 1.13 0.90 1.00 0.00 0.00 4 L 9.12 5.05 0.00 1.80 1.52 0.98 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.99 4.79 2.34 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 1.23 0.00 0.00 0.99 0.00 0.00 6 I 9.23 5.05 2.00 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 1.41 0.61 1.18 0.00 0.00 7 Q 9.56 4.76 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.62 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 8 G 8.26 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 0.00 0.00 0.00 0.00 9 P 0.00 4.55 0.00 1.87 1.80 0.00 3.65 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.44 0.00 10 N 9.02 4.24 0.00 2.89 2.94 0.00 0.00 7.07 6.89 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 11 L 7.79 3.54 0.00 1.80 1.76 1.04 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.07 4.43 0.00 2.83 3.03 0.00 0.00 6.28 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 13 M 8.70 4.45 0.00 1.99 2.17 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 2.56 2.68 0.00 14 L 7.44 4.31 0.00 1.68 1.73 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.03 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 *16 H 8.26 4.52 0.00 2.93 2.97 0.00 7.23 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 17 R 7.18 3.70 0.00 1.84 1.79 0.00 3.27 0.00 0.00 3.23 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.47 0.00 *23 G 7.55 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 0.00 0.00 0.00 24 M 8.34 4.45 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.09 0.00 25 V 7.24 4.47 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 1.03 0.00 0.00 0.93 0.00 0.00 26 T 9.08 4.77 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 1.20 0.00 0.00 27 L 8.15 3.69 0.00 1.79 1.56 0.61 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.00 4.21 0.00 2.64 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 29 Q 7.84 3.99 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 30 I 7.28 3.59 1.63 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 1.43 1.15 0.37 0.00 0.00 31 H 7.82 3.82 0.00 2.70 1.59 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.44 4.06 0.00 2.15 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 2.46 2.39 0.00 33 I 7.63 3.70 2.16 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 1.54 0.83 0.95 0.00 0.00 34 M 7.77 4.56 0.00 2.29 2.50 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.53 0.00 35 Q 8.26 4.12 0.00 2.37 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.75 0.00 0.00 0.00 0.00 0.00 2.48 2.59 0.00 36 T 8.26 4.23 4.52 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 0.00 0.00 1.26 0.00 0.00 37 F 8.73 4.09 0.00 3.24 3.36 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 38 V 8.41 3.71 2.24 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 0.99 0.00 0.00 1.16 0.00 0.00 39 K 9.13 4.00 0.00 1.90 1.74 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.40 1.34 7.81 40 Q 8.08 4.46 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 41 G 8.13 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.02 4.17 0.00 2.74 2.80 0.00 0.00 7.14 7.32 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 43 L 7.22 4.28 0.00 1.74 1.59 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.46 4.47 0.00 2.62 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.55 5.12 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 0.83 0.00 0.00 0.96 0.00 0.00 46 E 8.80 4.20 0.00 1.90 1.75 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 2.31 2.34 0.00 47 L 8.40 5.06 0.00 1.17 0.99 1.08 0.87 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 48 E 8.55 4.35 0.00 1.99 1.82 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 2.24 2.28 0.00 49 F 8.40 5.50 0.00 2.91 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 50 F 9.45 5.01 0.00 3.09 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 51 Q 8.26 5.04 0.00 2.03 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.54 0.00 0.00 0.00 0.00 0.00 2.29 2.20 0.00 52 T 8.73 4.54 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 1.47 0.00 0.00 53 N 9.00 4.78 0.00 2.70 2.69 0.00 0.00 6.80 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 54 F 8.81 4.82 0.00 3.11 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 9.27 3.68 0.00 1.16 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 2.13 1.70 0.00 56 G 8.24 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 57 E 8.46 4.43 0.00 2.37 2.40 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 2.40 2.36 0.00 58 I 7.97 3.89 2.11 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.08 1.05 0.00 0.00 59 I 7.71 3.69 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.73 0.90 0.00 0.00 60 D 8.58 4.32 0.00 2.83 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 61 K 7.78 3.93 0.00 1.66 1.68 0.00 1.10 0.00 0.00 0.61 0.00 0.00 2.47 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.80 0.92 7.81 62 I 7.85 3.60 1.99 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 0.82 0.89 0.00 0.00 63 Q 7.91 4.10 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 64 E 8.27 4.09 0.00 2.08 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 2.24 0.00 65 S 7.65 3.96 0.00 3.90 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.30 3.52 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 0.75 0.00 0.00 0.97 0.00 0.00 67 G 8.44 4.13 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 0.00 68 S 8.89 3.31 0.00 3.94 3.47 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 69 D 8.51 4.39 0.00 2.58 2.76 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 70 Y 8.30 4.78 0.00 2.94 2.98 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 71 E 9.07 4.46 0.00 1.84 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 2.26 0.00 72 G 7.82 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 73 I 8.78 5.29 1.89 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 1.20 0.66 0.98 0.00 0.00 74 I 8.77 5.02 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.79 1.06 0.00 0.00 75 I 8.75 4.96 1.94 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 1.26 1.54 0.98 0.00 0.00 76 N 9.37 5.57 0.00 2.89 2.98 0.00 0.00 7.08 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 77 P 0.00 4.51 0.00 2.41 2.24 0.00 3.81 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.17 0.00 78 G 8.36 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 79 A 8.53 3.64 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 80 F 8.04 4.68 0.00 3.25 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 81 S 8.73 4.63 0.00 3.66 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 82 H 7.82 4.73 0.00 3.19 3.49 0.00 5.60 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 7.92 4.75 4.37 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 1.33 0.00 0.00 84 S 8.64 4.41 0.00 3.79 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.89 3.39 1.70 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.15 0.73 0.00 0.00 86 A 7.90 3.98 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 87 I 8.15 3.68 1.92 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 1.49 0.63 0.98 0.00 0.00 88 A 7.80 4.00 1.43 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 0.00 0.00 0.00 89 D 8.59 4.32 0.00 2.79 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 90 A 7.94 4.09 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 91 I 7.99 3.61 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.93 0.00 0.00 92 M 8.03 4.26 0.00 2.00 2.36 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 93 L 7.92 4.51 0.00 1.66 1.67 0.91 1.08 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 94 A 7.80 3.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 7.40 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.40 4.46 0.00 1.91 1.82 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.22 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.18 1.42 7.81 97 P 0.00 4.28 0.00 2.12 2.07 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 98 V 8.54 4.86 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 1.05 0.00 0.00 1.00 0.00 0.00 99 I 8.90 4.60 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.56 0.92 0.00 0.00 100 E 8.74 4.78 0.00 2.09 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 2.12 2.28 0.00 101 V 8.41 4.72 1.64 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 -0.12 0.00 0.00 0.65 0.00 0.00 102 H 8.81 4.92 0.00 3.12 3.19 0.00 5.67 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.94 4.10 0.00 1.66 1.76 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 104 T 7.77 4.46 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 1.20 0.00 0.00 105 N 8.11 4.62 0.00 2.61 2.67 0.00 0.00 6.65 7.82 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 0.00 106 I 7.89 3.86 1.94 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.68 0.71 0.00 0.00 107 Q 7.76 3.87 0.00 2.37 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.24 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 108 A 8.29 4.60 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 0.00 109 R 7.20 4.59 0.00 1.59 1.50 0.00 3.15 0.00 0.00 3.14 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 110 E 8.24 3.92 0.00 1.16 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 2.25 2.17 0.00 111 E 8.26 3.64 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 2.38 2.39 0.00 112 F 7.85 4.32 0.00 3.17 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 0.00 113 R 6.95 3.71 0.00 1.59 1.75 0.00 3.00 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.20 0.00 114 K 7.58 4.05 0.00 1.74 1.71 0.00 1.83 0.00 0.00 1.42 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.21 7.81 115 N 7.78 4.20 0.00 2.55 2.61 0.00 0.00 6.65 7.63 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 0.00 116 S 8.27 4.74 0.00 3.88 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Y 8.28 4.39 0.00 3.28 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 0.00 118 T 8.26 4.07 4.36 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 1.32 0.00 0.00 119 G 8.72 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 0.00 0.00 0.00 120 A 7.69 4.16 1.43 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 0.00 0.00 0.00 121 A 7.59 4.08 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 0.00 122 C 7.86 4.26 0.00 3.17 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.14 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 0.00 0.00 0.00 124 G 7.26 4.19 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 0.00 125 V 8.31 5.04 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 0.95 0.00 0.00 0.96 0.00 0.00 126 I 8.67 4.75 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.47 0.84 0.00 0.00 127 M 8.91 5.08 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 128 G 9.10 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 0.00 129 F 8.18 4.50 0.00 3.03 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 7.94 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 P 0.00 4.53 0.00 2.25 2.18 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 132 L 8.07 3.74 0.00 1.81 1.94 0.87 1.09 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 0.00 133 G 8.27 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 0.00 0.00 0.00 134 Y 8.68 3.99 0.00 3.19 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 0.00 135 N 8.08 3.81 0.00 2.54 1.80 0.00 0.00 7.05 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 0.00 136 M 8.17 3.78 0.00 1.74 2.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.29 0.00 137 A 7.82 3.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 7.86 3.93 0.00 1.83 1.94 1.08 0.74 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 0.00 139 M 8.41 4.12 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.69 0.00 140 A 7.73 4.00 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 0.00 141 M 8.48 3.93 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.65 0.00 142 V 7.80 3.61 2.41 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 1.01 0.00 0.00 1.00 0.00 0.00 143 N 7.85 4.38 0.00 2.94 2.86 0.00 0.00 7.11 6.73 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 0.00 144 I 7.92 3.80 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 1.53 0.73 0.92 0.00 0.00 145 L 8.32 4.02 0.00 1.79 1.74 0.95 0.80 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 0.00 146 A 8.03 4.02 1.43 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 0.00 0.00 0.00 147 E 7.98 3.90 0.00 2.27 2.04 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 2.27 2.34 0.00 148 M 8.53 4.12 0.00 2.12 2.36 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.68 0.00 149 K 8.23 3.99 0.00 2.09 1.89 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.64 7.81 150 A 7.81 4.36 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 0.00 151 F 8.18 4.36 0.00 3.16 3.33 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 0.00 152 Q 8.29 3.79 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.39 0.00 0.00 0.00 0.00 0.00 2.32 2.54 0.00 153 E 7.58 4.26 0.00 2.25 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 2.59 0.00 154 A 7.66 3.98 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 0.00 155 Q 8.13 4.01 0.00 1.70 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 156 K 7.29 3.96 0.00 1.87 1.85 0.00 1.55 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.37 7.81 157 N 7.38 4.65 0.00 2.99 2.89 0.00 0.00 6.60 7.88 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 0.00 158 N 8.86 4.54 0.00 2.53 2.61 0.00 0.00 7.06 7.44 0.00 0.00 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.