NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3611 8.2493 123.5828 52.3154 19.9251 175.7483 2 T 4.5200 8.1515 108.9349 59.4863 71.7536 171.4094 3 S 4.7292 8.2604 118.5281 56.9865 66.6911 174.6983 4 T 4.4663 7.9437 111.8190 59.9027 70.3401 174.5465 5 K 4.1411 8.2292 121.2977 55.9867 32.6078 177.2057 6 K 4.1768 8.4688 124.3418 55.6518 32.8844 176.5290 7 L 4.2200 8.4386 125.8719 55.9114 42.5917 175.9619 8 H 5.0154 8.3427 114.4410 54.3453 32.2613 171.9590 9 K 4.5808 8.5438 119.0848 55.4079 33.4233 175.8684 10 E 4.8482 9.0354 124.3927 53.8867 32.5369 174.1748 11 P 5.0341 0.0000 0.0000 62.9387 32.4210 175.0721 12 A 4.8475 8.4715 122.4223 51.5076 23.0558 175.6027 13 T 4.6440 8.6262 115.3933 61.1783 71.8463 173.9876 14 L 4.1664 8.6860 127.8120 56.3553 42.1183 176.0082 15 I 4.2727 8.7089 127.5312 62.6118 38.1766 176.0455 16 K 4.5758 7.5703 120.8108 55.1015 35.5721 174.2363 17 A 4.4372 8.7213 130.5531 52.3950 19.1810 176.4574 18 I 4.2160 8.2310 123.6439 62.3648 38.2674 175.6057 19 D 4.6926 6.8207 116.3713 53.0118 41.3204 175.4082 20 G 3.7773 8.9342 107.1859 48.4463 0.0000 173.8397 21 N 5.1693 8.5764 116.2962 52.4342 39.0390 174.1913 22 T 5.2993 8.0305 115.0835 62.7256 73.3138 173.3091 23 V 4.7817 8.9235 124.8947 59.8375 35.4643 173.9845 24 K 5.0937 9.1413 124.9644 55.0366 33.9712 175.0031 25 L 5.2868 9.1001 126.5989 53.0754 46.5043 175.5559 26 M 4.7796 9.3208 122.7056 55.2715 33.3203 174.2684 27 Y 5.0039 9.2020 129.0142 56.0040 41.5343 175.7988 28 K 3.5686 9.5741 127.3058 57.4396 29.8896 175.8840 29 G 3.9970 8.7805 103.6830 45.4018 0.0000 173.6388 30 Q 4.7135 7.9399 117.8062 53.0385 33.1376 173.0552 31 P 4.9478 0.0000 0.0000 63.0638 32.3638 175.5740 32 M 4.6965 9.2463 123.2365 54.1656 36.0356 173.8344 33 T 4.6037 8.4134 122.6476 63.1410 70.3709 173.3235 34 F 4.9916 9.3966 126.0430 55.7940 41.3640 174.6628 35 R 4.9764 9.0676 124.7899 54.6179 31.7201 175.3741 36 L 4.4144 8.6205 127.4372 54.5823 42.0489 177.2310 37 L 3.9634 8.4952 124.1685 55.6866 42.8355 178.0029 38 L 4.2005 9.0348 119.9626 55.6094 39.1130 174.0756 39 V 5.1161 7.3618 110.8376 59.8407 36.0230 174.4415 40 D 4.9784 9.3194 122.7241 52.9766 44.4027 174.6943 41 T 4.9253 8.5579 115.6524 59.5711 71.0200 172.7493 42 P 4.4938 0.0000 0.0000 62.5298 32.2185 176.3738 43 E 4.0301 9.7981 122.3468 56.8193 30.1468 177.8164 *50 F 4.6185 8.6032 123.4497 58.0719 41.0635 175.6619 51 N 4.4304 8.1052 115.4008 53.5883 38.1020 174.8650 52 E 4.2967 7.9687 119.7959 54.5670 30.8389 175.4697 53 K 3.9090 8.0467 121.4955 58.0864 32.5763 176.6596 54 Y 4.1046 7.7613 121.7830 59.3844 36.4280 171.2692 55 G 3.6789 7.9990 107.2531 47.6269 0.0000 174.1243 56 P 4.3945 0.0000 0.0000 65.0178 31.0930 178.6560 57 E 4.0582 8.1776 117.0052 59.1648 29.5545 179.0444 58 A 4.0525 8.3799 121.1083 55.2847 18.1389 179.6680 59 S 4.2385 8.4354 113.6058 62.0103 62.8877 177.0028 60 A 4.1522 8.3795 123.3069 54.8945 18.0623 179.5119 61 F 3.9457 8.4432 119.2217 61.8530 39.6041 177.5051 62 T 3.9682 8.0931 115.1237 66.4288 68.1597 176.4257 63 K 3.8820 8.2524 121.5514 59.5191 32.2198 178.6550 64 K 3.8465 8.2507 120.0744 59.6636 31.8446 178.3878 65 M 3.8662 7.5883 117.3950 58.7316 32.3024 178.2800 66 V 3.8328 7.8811 112.4203 64.0998 31.6191 178.5026 67 E 3.9756 8.3112 117.9102 59.2099 29.4160 177.7653 68 N 4.4988 8.1508 114.0532 54.0916 39.0548 175.2604 69 A 4.4530 7.3618 122.3692 51.6348 19.1872 177.9417 70 K 4.1145 9.1972 122.7826 58.3698 32.5946 177.6474 71 K 4.5943 8.8349 120.6358 54.5611 35.1316 175.0941 72 I 5.0988 8.4235 127.6158 59.6733 40.2084 174.4328 73 E 5.1319 9.1714 124.6588 54.5912 34.0224 174.5723 74 V 4.3943 8.7488 123.0667 61.0218 34.0593 174.0444 75 E 5.0632 8.9871 128.6098 53.1139 31.8801 174.9764 76 F 4.5945 8.6272 125.9059 57.7910 39.9711 175.6687 77 D 4.9520 8.4972 121.0443 53.4059 43.1737 175.8140 78 K 4.3684 9.1580 117.5849 57.8907 33.2664 178.5224 79 G 4.1804 7.7235 107.7068 45.1063 0.0000 175.0649 80 Q 4.0701 8.6461 124.3820 56.0307 29.1728 176.2841 81 R 4.4012 8.4707 120.3787 56.8955 31.0995 176.2304 82 T 4.9795 7.4723 106.5561 59.4919 71.8320 173.2493 83 D 4.6401 8.5521 123.5959 51.6738 41.2923 177.1947 84 K 3.8427 8.1627 117.2369 59.1128 32.4216 177.0482 85 Y 4.5623 7.9979 115.7126 57.6859 38.2193 176.3957 86 G 3.9467 8.2538 108.8385 44.9721 0.0000 174.2128 87 R 4.2543 8.3537 119.6933 55.2423 31.7031 176.5659 88 G 3.7718 8.4888 110.3174 46.3709 0.0000 172.2650 89 L 5.4156 8.7457 122.8613 52.8965 43.5053 175.7952 90 A 4.4583 8.3402 124.3226 51.0020 23.4881 174.2499 91 Y 4.7500 8.6226 117.7996 57.4159 39.6423 174.9267 92 I 4.8280 8.5470 124.8028 59.6786 40.0291 174.1597 93 Y 5.1139 9.2385 124.2695 56.0170 41.4369 174.6237 94 A 4.8871 9.0401 125.4151 50.1656 21.5848 176.0515 95 D 4.3751 10.0856 124.6641 56.0133 39.1022 175.5455 96 G 3.9651 8.5895 105.2910 45.2269 0.0000 173.7104 97 K 4.5326 7.8454 120.2813 54.6583 33.8167 175.3589 98 M 4.0400 8.4852 123.6508 54.9430 33.3050 176.9582 99 V 3.6226 8.8429 127.0428 66.1233 31.6872 177.6754 100 N 4.3235 8.0645 115.7723 56.5238 38.3879 176.8114 101 E 3.9323 8.0990 119.7793 59.2199 29.8108 178.5369 102 A 4.0805 8.1739 120.9231 54.9883 18.4532 179.6504 103 L 3.4156 8.1498 117.6906 57.7894 41.6745 179.9102 104 V 3.8806 7.4907 119.6325 65.5343 31.2755 178.0565 105 R 4.0611 7.9966 117.5391 59.2409 29.9941 177.5380 106 Q 4.1672 7.8385 117.2060 55.9281 29.3708 176.0358 107 G 3.8867 8.0416 107.5824 47.2533 0.0000 174.6093 108 L 4.4814 7.6852 117.3914 54.2458 42.0694 176.4013 109 A 4.8010 7.4651 120.0960 50.3293 23.0047 175.2447 110 K 4.7931 8.6709 119.3704 54.6298 34.7523 176.4617 111 V 4.2913 9.3883 124.1091 63.4766 31.9545 175.0187 112 A 4.3340 9.3189 127.9714 51.1594 23.4227 174.9745 113 Y 3.4452 7.8719 113.1600 59.0071 35.4701 172.0952 114 V 3.8546 7.6768 119.8335 62.6785 30.8028 173.9568 115 Y 4.6689 8.2416 125.0705 55.8797 39.4839 177.4567 116 K 3.9651 9.0112 123.8974 59.5095 32.3747 178.6205 117 G 3.8616 8.2733 106.5918 48.2647 0.0000 173.2572 118 N 5.1860 8.3471 116.8249 52.5679 39.5814 174.0108 119 N 5.2154 7.8848 110.8963 52.8178 38.9188 177.0754 120 T 3.8495 8.8679 118.0223 67.6994 68.7190 175.1274 121 H 4.8419 8.0572 116.2362 55.7312 29.2029 176.6263 122 E 3.9946 8.3539 122.8299 59.9183 29.3177 178.9681 123 Q 3.9879 8.0546 117.3091 58.7142 28.8024 178.2974 124 L 3.9512 7.8806 120.9464 58.2132 42.1208 178.9744 125 L 4.0351 8.0581 118.8864 57.8508 41.5153 179.5693 126 R 3.8896 8.3502 118.4018 59.0063 30.0351 179.0673 127 K 3.8521 8.2582 119.2375 59.4198 32.2585 178.5510 128 A 3.9854 7.9323 121.0848 55.3570 18.1878 179.2620 129 E 3.9058 8.4386 117.6740 59.3503 29.7359 178.8836 130 A 3.7625 8.1944 121.0915 55.0666 18.3832 179.7103 131 Q 3.8801 8.0102 116.2115 59.0475 28.8038 178.7320 132 A 4.0486 8.1030 121.8738 54.9507 18.3949 179.6456 133 K 3.6307 7.9606 118.4491 59.2752 31.9256 178.9678 134 K 3.8740 7.7420 119.0095 59.4572 32.2446 178.0335 135 E 4.1467 8.1226 116.0877 55.9783 30.0397 176.5297 136 K 4.0823 8.0082 118.2759 57.2957 30.3446 175.2641 137 L 4.3575 8.0296 118.1758 55.5804 44.3334 177.9236 138 N 3.1921 9.0028 119.6342 53.8692 38.0007 177.4887 139 I 3.2178 5.4200 122.6962 63.4184 37.7523 177.0259 140 W 4.9249 7.5784 119.9468 56.4720 29.2621 177.3215 141 S 4.5534 8.0616 114.3468 59.8392 62.7602 174.2568 142 E 4.3088 8.0496 124.1845 56.3553 29.9818 175.3792 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 A 8.25 4.36 1.27 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 0.00 0.00 2 T 8.15 4.52 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 1.21 0.00 0.00 3 S 8.26 4.73 0.00 3.86 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 4 T 7.94 4.47 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 1.23 0.00 0.00 5 K 8.23 4.14 0.00 1.80 1.82 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.37 7.81 6 K 8.47 4.18 0.00 1.72 1.73 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.54 7.81 7 L 8.44 4.22 0.00 1.73 1.73 1.01 1.21 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 8 H 8.34 5.02 0.00 3.25 3.40 0.00 5.64 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 9 K 8.54 4.58 0.00 1.55 1.72 0.00 1.38 0.00 0.00 1.02 0.00 0.00 2.13 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.01 1.24 7.81 10 E 9.04 4.85 0.00 2.07 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 2.38 2.28 0.00 11 P 0.00 5.03 0.00 1.95 1.99 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 12 A 8.47 4.85 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 13 T 8.63 4.64 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 1.23 0.00 0.00 14 L 8.69 4.17 0.00 1.64 1.60 0.94 1.08 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 15 I 8.71 4.27 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.81 0.93 0.00 0.00 16 K 7.57 4.58 0.00 1.80 1.60 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.43 7.81 17 A 8.72 4.44 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 18 I 8.23 4.22 1.95 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 1.34 0.82 0.88 0.00 0.00 19 D 6.82 4.69 0.00 2.90 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 20 G 8.93 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 21 N 8.58 5.17 0.00 2.87 3.02 0.00 0.00 6.61 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.03 5.30 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 23 V 8.92 4.78 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 0.86 0.00 0.00 1.02 0.00 0.00 24 K 9.14 5.09 0.00 1.85 1.87 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.43 7.81 25 L 9.10 5.29 0.00 1.86 1.68 0.55 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.32 4.78 0.00 2.15 2.02 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 2.62 2.56 0.00 27 Y 9.20 5.00 0.00 3.31 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.57 3.57 0.00 1.58 1.65 0.00 1.48 0.00 0.00 1.54 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.01 0.22 7.81 29 G 8.78 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 0.00 0.00 0.00 30 Q 7.94 4.71 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 31 P 0.00 4.95 0.00 1.96 2.02 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 32 M 9.25 4.70 0.00 1.93 1.81 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.14 0.00 33 T 8.41 4.60 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 1.19 0.00 0.00 34 F 9.40 4.99 0.00 3.07 2.89 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 35 R 9.07 4.98 0.00 1.87 1.89 0.00 3.34 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 36 L 8.62 4.41 0.00 1.59 1.60 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.50 3.96 0.00 0.92 1.34 0.29 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 38 L 9.03 4.20 0.00 2.05 1.94 1.16 1.24 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 39 V 7.36 5.12 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 0.81 0.00 0.00 1.03 0.00 0.00 40 D 9.32 4.98 0.00 2.92 2.50 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 41 T 8.56 4.93 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 1.25 0.00 0.00 42 P 0.00 4.49 0.00 2.04 2.03 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 43 E 9.80 4.03 0.00 2.33 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 2.37 2.30 0.00 *50 F 8.60 4.62 0.00 2.98 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.11 4.43 0.00 2.85 2.96 0.00 0.00 6.03 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 52 E 7.97 4.30 0.00 2.10 1.87 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 2.28 2.22 0.00 53 K 8.05 3.91 0.00 1.51 1.55 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.42 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.30 0.90 7.81 54 Y 7.76 4.10 0.00 3.18 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 55 G 8.00 3.68 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 0.00 0.00 0.00 56 P 0.00 4.39 0.00 2.05 1.91 0.00 3.41 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 1.75 1.30 0.00 57 E 8.18 4.06 0.00 2.30 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 2.50 0.00 58 A 8.38 4.05 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 59 S 8.44 4.24 0.00 4.27 4.06 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 60 A 8.38 4.15 1.48 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 61 F 8.44 3.95 0.00 3.37 3.24 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 0.00 62 T 8.09 3.97 4.34 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 1.30 0.00 0.00 63 K 8.25 3.88 0.00 1.95 2.04 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.54 1.54 7.81 64 K 8.25 3.85 0.00 1.84 1.63 0.00 1.63 0.00 0.00 1.45 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.39 7.81 65 M 7.59 3.87 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 66 V 7.88 3.83 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 0.74 0.00 0.00 1.01 0.00 0.00 67 E 8.31 3.98 0.00 2.01 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 2.34 2.41 0.00 68 N 8.15 4.50 0.00 2.78 2.83 0.00 0.00 7.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.36 4.45 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 70 K 9.20 4.11 0.00 1.91 1.88 0.00 1.53 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.41 7.81 71 K 8.83 4.59 0.00 1.77 1.73 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.38 7.81 72 I 8.42 5.10 2.03 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 1.34 0.61 0.90 0.00 0.00 73 E 9.17 5.13 0.00 1.90 1.76 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 2.20 2.22 0.00 74 V 8.75 4.39 1.80 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 0.06 0.00 0.00 75 E 8.99 5.06 0.00 2.21 2.16 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 2.42 2.36 0.00 76 F 8.63 4.59 0.00 3.03 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 77 D 8.50 4.95 0.00 2.74 2.99 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 78 K 9.16 4.37 0.00 1.81 1.89 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.45 7.81 79 G 7.72 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 0.00 0.00 0.00 0.00 80 Q 8.65 4.07 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 81 R 8.47 4.40 0.00 1.62 1.46 0.00 2.66 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.42 0.00 82 T 7.47 4.98 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 1.13 0.00 0.00 83 D 8.55 4.64 0.00 2.79 2.80 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 84 K 8.16 3.84 0.00 1.39 1.67 0.00 1.30 0.00 0.00 1.45 0.00 0.00 2.45 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.88 0.21 7.81 85 Y 8.00 4.56 0.00 3.10 2.95 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 86 G 8.25 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 87 R 8.35 4.25 0.00 2.04 1.87 0.00 3.12 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 88 G 8.49 3.77 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 0.00 0.00 0.00 89 L 8.75 5.42 0.00 1.56 1.59 0.88 1.02 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 90 A 8.34 4.46 0.76 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 0.00 0.00 91 Y 8.62 4.75 0.00 3.02 2.63 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 92 I 8.55 4.83 1.77 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.06 0.81 0.00 0.00 93 Y 9.24 5.11 0.00 2.78 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 94 A 9.04 4.89 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 95 D 10.09 4.38 0.00 2.77 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 96 G 8.59 3.97 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 0.00 0.00 0.00 97 K 7.85 4.53 0.00 2.01 1.76 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.37 7.81 98 M 8.49 4.04 0.00 1.90 1.68 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 2.28 0.00 99 V 8.84 3.62 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 1.04 0.00 0.00 0.95 0.00 0.00 100 N 8.06 4.32 0.00 2.91 2.94 0.00 0.00 6.75 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 0.00 101 E 8.10 3.93 0.00 1.98 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 2.38 2.37 0.00 102 A 8.17 4.08 1.63 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 0.00 103 L 8.15 3.42 0.00 1.85 1.63 1.01 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.49 3.88 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 1.01 0.00 0.00 105 R 8.00 4.06 0.00 1.91 2.11 0.00 3.36 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 106 Q 7.84 4.17 0.00 1.89 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.25 0.00 0.00 0.00 0.00 0.00 2.08 2.27 0.00 107 G 8.04 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 0.00 108 L 7.69 4.48 0.00 1.19 1.53 0.56 0.42 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 0.00 109 A 7.47 4.80 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.67 4.79 0.00 1.72 1.81 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.50 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.42 1.03 7.81 111 V 9.39 4.29 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 0.75 0.00 0.00 0.99 0.00 0.00 112 A 9.32 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 7.87 3.45 0.00 3.21 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.68 3.85 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 0.91 0.00 0.00 0.97 0.00 0.00 115 Y 8.24 4.67 0.00 3.11 2.88 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 0.00 0.00 0.00 116 K 9.01 3.97 0.00 1.81 1.94 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.49 7.81 117 G 8.27 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 0.00 118 N 8.35 5.19 0.00 2.75 2.80 0.00 0.00 6.76 8.69 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 0.00 119 N 7.88 5.22 0.00 3.02 3.23 0.00 0.00 6.09 7.22 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 0.00 120 T 8.87 3.85 4.27 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 1.03 0.00 0.00 121 H 8.06 4.84 0.00 2.96 3.10 0.00 5.64 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 0.00 122 E 8.35 3.99 0.00 2.16 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 2.34 2.41 0.00 123 Q 8.05 3.99 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 124 L 7.88 3.95 0.00 1.76 1.87 0.95 0.56 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 0.00 125 L 8.06 4.04 0.00 1.95 1.74 0.99 0.83 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 0.00 126 R 8.35 3.89 0.00 1.82 1.96 0.00 3.12 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 127 K 8.26 3.85 0.00 1.95 1.97 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.44 7.81 128 A 7.93 3.99 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 0.00 129 E 8.44 3.91 0.00 2.16 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 1.99 2.52 0.00 130 A 8.19 3.76 1.27 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 0.00 0.00 131 Q 8.01 3.88 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 132 A 8.10 4.05 1.61 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 0.00 0.00 133 K 7.96 3.63 0.00 0.89 1.50 0.00 1.22 0.00 0.00 1.13 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 0.86 7.81 134 K 7.74 3.87 0.00 1.84 1.91 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.45 7.81 135 E 8.12 4.15 0.00 2.07 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 2.34 2.41 0.00 136 K 8.01 4.08 0.00 2.02 1.92 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.58 7.81 137 L 8.03 4.36 0.00 1.77 1.64 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.00 3.19 0.00 2.46 1.42 0.00 0.00 6.87 7.22 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 0.00 139 I 5.42 3.22 1.24 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 -0.36 0.54 0.00 0.00 140 W 7.58 4.92 0.00 3.29 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 S 8.06 4.55 0.00 4.01 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.05 4.31 0.00 1.97 1.87 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 2.24 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.