NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7488 8.4249 117.7893 51.5252 40.0352 174.1623 4 K 4.3632 7.7589 118.6769 57.2358 33.6379 174.5816 5 K 5.2858 9.0246 121.1706 53.5630 37.5641 173.8373 *7 N 4.9173 8.5075 117.9337 54.1351 40.2616 173.2091 8 L 5.1545 8.8525 126.7834 53.0258 44.3872 175.4933 9 L 4.8030 9.1815 127.3758 53.9942 43.1045 175.3722 10 L 4.6198 8.7760 131.1267 54.0813 42.1076 176.2948 11 F 4.4187 8.8150 130.1740 60.3268 40.9017 176.2718 12 S 4.6602 8.3617 114.7758 58.4964 63.4720 174.6982 13 G 4.1280 8.5646 113.1190 45.4562 0.0000 173.3448 14 D 5.1204 7.7928 118.7304 52.0627 44.1678 175.8687 15 Y 3.9803 9.0338 125.8228 61.0803 38.8977 178.6800 16 D 4.4745 8.2669 119.4313 56.4793 39.6660 178.4857 17 K 4.0370 8.0909 119.2795 59.0596 32.1371 179.0238 18 A 4.0023 8.3196 121.4561 54.8393 18.1788 179.2755 19 L 3.7490 8.0331 118.8062 58.3223 42.1918 179.0200 20 A 4.0192 8.0145 120.7667 55.2921 18.2344 179.7471 21 S 4.1175 8.1682 112.6805 61.6568 62.9751 176.6223 22 L 4.0911 8.1997 122.4221 56.8581 41.5699 179.2721 23 I 3.6896 8.0610 120.4457 64.4530 37.0469 178.4123 24 I 3.6853 7.8468 120.1351 64.2908 36.9437 178.2785 25 A 3.9636 8.2391 121.8213 55.3517 18.2196 179.4189 26 N 4.2425 8.4218 114.8644 56.4248 38.4017 177.4872 27 A 3.9767 7.6819 120.2588 55.0107 18.7324 179.2010 28 A 4.0840 8.1630 119.2564 55.5355 18.2914 180.0319 29 R 4.0671 7.8857 115.1812 59.1913 30.3448 180.0801 30 E 4.3016 8.0623 121.5545 56.4005 29.3482 177.9227 *32 E 4.3079 8.0275 111.3552 55.6049 31.7869 177.6760 33 I 4.4147 7.7055 120.8286 61.4830 38.2759 175.8494 34 E 4.2051 8.9616 126.7758 56.1688 30.7615 175.8138 35 V 4.4032 8.4172 124.0293 61.2976 34.5662 173.9261 36 T 5.0662 8.5502 123.9073 61.8505 71.5316 172.9563 37 I 4.8210 8.9559 127.6806 59.5887 39.9774 174.6423 38 F 5.3671 9.4738 131.6868 57.2916 40.3135 174.0791 39 C 5.0212 8.8344 125.2208 58.4442 29.3492 173.4621 40 A 4.4080 8.5799 124.5064 49.9343 23.1661 179.0984 41 F 2.8804 8.4980 119.5968 57.8387 39.5775 180.2019 42 W 4.4695 6.9882 132.6723 60.2762 28.5068 177.4332 43 G 3.7431 8.1417 105.9528 47.2590 0.0000 175.5922 44 L 3.9602 7.7637 120.6112 57.6384 41.0071 179.3591 45 L 3.8603 7.9673 118.9625 57.5142 41.2288 179.2006 46 L 3.9981 7.6744 119.6390 57.5432 42.2967 177.5050 47 L 4.3443 7.7196 117.0147 54.8150 42.1971 176.7625 48 R 3.8227 6.9949 118.4947 55.9272 30.4004 175.4445 49 D 4.3526 8.2708 122.9780 51.4590 41.9796 175.2433 50 P 4.1782 0.0000 0.0000 66.3043 31.5705 178.0155 51 E 4.0614 8.2328 115.3831 57.6160 30.0849 180.7675 52 K 4.4068 7.7820 119.0211 54.4416 33.8696 180.5309 53 A 4.6565 8.0952 125.1270 51.3413 21.5639 174.7269 54 S 4.5259 8.3627 115.5181 58.6996 65.2197 174.5699 55 Q 4.6358 8.5528 119.6791 55.0879 29.1994 171.8348 56 E 4.2091 7.9141 116.6921 57.9412 30.7963 180.2125 57 D 4.5184 8.8688 121.7137 52.9733 36.3880 171.1382 58 K 4.8540 7.4551 118.5865 53.7986 36.7099 177.8015 59 S 4.3895 8.7710 117.6784 57.6826 64.9425 175.2666 60 L 3.9804 8.4818 123.1148 58.9691 41.6296 178.7053 61 Y 4.1038 8.1656 115.8925 61.0307 37.7714 178.0158 62 E 3.9423 8.1787 119.2953 59.3347 29.4465 179.4606 63 Q 3.9576 8.4645 118.0990 58.8352 28.8656 178.3494 64 A 3.9657 8.1754 121.9457 55.2636 18.3702 179.3720 65 F 3.9484 8.4856 119.2379 61.5778 39.2475 177.2667 66 S 4.2395 8.2480 111.6856 61.5304 62.2823 175.7251 67 S 4.2608 8.3162 115.2346 60.8970 62.2043 175.5409 68 L 4.2209 7.7860 121.1413 55.9927 41.8412 177.4812 69 T 4.1694 6.7493 107.5245 59.5170 69.8940 172.5694 70 P 4.3011 0.0000 0.0000 63.7258 31.5000 176.9022 71 R 4.2539 8.8658 121.2255 56.6188 30.7857 175.6974 72 E 4.5533 7.6118 114.4087 55.0536 32.1888 175.9707 73 A 3.9702 8.6721 122.3704 55.5442 18.2877 179.7082 74 E 4.3016 8.1647 114.3705 58.7449 29.8467 177.0357 75 E 4.3794 8.0844 116.2959 56.6039 30.0186 176.5452 76 L 4.3000 7.7002 120.0541 54.4750 42.3828 175.5755 77 P 4.6147 0.0000 0.0000 62.1797 31.7860 175.4910 78 L 4.7106 8.3225 120.3809 54.5969 42.3291 178.7400 79 S 4.4736 9.2656 117.2389 61.0961 63.4939 175.3887 80 K 4.4017 7.1013 116.4163 56.2661 33.5341 174.0752 *82 N 4.2424 7.7852 126.6669 54.0391 41.2412 175.6957 83 L 3.4908 8.2843 118.7570 56.1966 37.3909 176.8069 84 G 4.1426 8.4175 119.9849 45.1953 0.0000 172.6399 85 G 4.0761 7.4657 110.1911 46.2252 0.0000 176.1483 86 I 4.0097 8.7579 124.3316 63.8503 35.8308 181.5641 87 G 4.0129 7.8751 106.0058 47.7702 0.0000 175.1894 88 K 4.0169 7.8778 122.0317 58.7160 32.2819 178.7976 89 K 3.9409 7.7427 116.2929 57.5337 31.8221 177.6145 *91 L 4.2053 7.7462 120.0840 54.7686 43.6345 177.9237 92 L 4.0767 7.9213 117.2393 57.7655 41.8394 178.0928 93 E 4.1276 7.8671 120.8882 55.4868 27.5929 176.2782 *96 K 4.2095 8.1062 123.8359 55.9060 34.3567 177.4877 97 E 3.9747 8.3136 117.1093 59.4616 28.7857 177.8968 98 E 4.2494 8.2348 115.5174 55.8717 29.9858 176.5215 99 K 3.9663 7.8158 117.0902 56.9270 30.4279 175.0852 100 A 4.1892 7.3246 121.8003 51.0223 18.8866 176.9406 101 P 4.4257 0.0000 0.0000 62.2482 32.3379 177.1747 102 K 4.3291 8.5454 119.8171 55.9335 34.0987 177.8933 103 L 3.7882 8.5833 123.0839 58.6801 41.8219 179.7550 104 S 4.1407 8.5390 113.8890 61.3076 62.8012 176.2483 105 D 4.3042 8.0194 122.0303 57.3385 40.6695 178.4601 106 L 3.9541 7.9113 119.3997 57.7201 41.4999 179.4818 107 L 3.9586 8.0410 120.3302 58.0481 41.9279 179.1232 108 S 4.0445 8.1696 115.3296 61.3991 62.7002 176.7830 109 G 3.6277 8.3263 108.4013 47.9357 0.0000 175.4943 110 A 4.0627 8.3882 124.0567 54.8570 18.3583 179.9951 111 R 3.9647 8.2401 116.6929 59.3853 29.8941 179.4760 112 K 4.0450 8.1750 117.7089 59.0153 32.1303 178.6889 113 K 4.2238 8.2584 116.2441 55.4879 32.6747 176.3983 114 E 3.7525 7.9083 117.4995 56.8523 27.4239 175.1411 115 V 3.5462 7.6360 117.3692 63.4235 32.7868 175.7098 116 K 4.2258 8.8446 127.1524 55.1749 33.4786 175.3706 117 F 5.0799 8.4195 124.4917 56.1380 40.9979 174.7140 118 Y 5.3290 9.4277 120.9818 55.5159 41.6028 174.9164 119 A 5.0966 8.9864 123.2610 52.5384 22.0861 178.7393 *121 Q 4.1376 8.8170 114.4805 57.8887 31.0152 176.9900 122 L 3.8812 7.8953 118.5011 58.2401 41.8824 178.7917 123 S 3.4965 7.6199 113.1139 61.4583 62.8928 176.2665 124 V 3.7555 7.6081 120.1681 66.1472 30.9591 177.7807 125 E 3.9406 7.8965 116.8071 59.3833 29.3868 179.6580 126 I 3.6549 7.4953 114.7973 62.4259 36.9691 176.9290 *128 G 3.6891 7.7433 106.7901 44.8084 0.0000 173.3460 129 F 4.7254 7.4539 119.2240 56.8441 39.7416 175.2667 130 K 4.6172 8.6453 123.4813 54.5787 35.0919 177.1171 131 K 3.8152 8.8073 121.2649 59.7349 31.9333 178.6277 132 E 4.1081 8.0446 114.1526 58.5614 29.8563 177.3927 133 E 4.6492 8.1535 118.3334 56.9284 29.9420 176.2802 134 L 4.6737 7.1857 118.3331 52.1097 44.1198 176.1810 135 F 4.2650 7.5932 118.9799 57.5854 39.4534 175.3058 136 P 4.2975 0.0000 0.0000 65.6827 31.2291 177.4932 137 E 4.1753 8.1074 113.4018 57.3811 30.0312 176.9899 138 V 4.0162 7.6299 121.1163 63.3342 32.2173 175.0761 139 Q 4.8831 8.5451 125.9247 54.2393 31.7283 175.5311 140 I 5.0553 8.5961 123.3750 60.0918 38.9383 174.5326 *142 D 4.5866 8.3708 122.5746 52.8943 40.4025 176.9016 143 V 3.7645 8.2510 118.7009 64.8530 31.1546 178.5307 144 K 3.9773 8.3728 119.3764 59.2523 31.8309 179.1550 145 E 3.8560 8.2187 118.5891 59.2009 29.4266 178.2456 146 Y 3.5549 7.6275 119.5647 60.6502 38.5893 178.3243 147 L 3.4544 7.9083 119.7455 57.4337 41.4992 179.3940 148 K 3.7427 7.6328 118.1772 59.5028 32.4628 177.9645 149 N 4.4183 7.8152 116.8640 56.6382 39.0130 176.5145 150 A 3.8144 7.9193 122.3787 55.2512 18.1413 179.6602 151 L 3.9665 7.8754 116.3873 57.1701 41.7440 178.5452 152 E 4.3308 7.5282 115.7583 55.8168 29.9859 176.4837 153 S 4.5831 7.0175 115.2642 57.8533 64.1311 173.6943 154 D 4.6429 8.6600 121.2438 54.8818 41.4907 177.1091 155 L 4.7143 7.7378 119.8096 53.1049 44.6167 175.0163 156 Q 4.9784 8.7551 124.0862 54.2662 31.8437 174.6659 157 L 5.0452 9.0350 122.8150 52.8917 46.7110 175.1383 158 F 5.2630 8.9854 122.7524 56.6149 41.7899 174.9647 159 I 4.3335 8.4833 126.4515 61.4731 37.6078 175.5531 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 3 N 8.42 4.75 0.00 2.76 2.77 0.00 0.00 6.74 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 4 K 7.76 4.36 0.00 1.75 1.75 0.00 1.59 0.00 0.00 1.90 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.48 7.81 5 K 9.02 5.29 0.00 1.64 1.69 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.33 7.81 *7 N 8.51 4.92 0.00 2.91 2.78 0.00 0.00 6.79 6.66 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 8 L 8.85 5.15 0.00 1.68 1.61 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 9 L 9.18 4.80 0.00 1.82 1.51 0.62 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.78 4.62 0.00 1.84 1.59 1.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.82 4.42 0.00 2.67 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 12 S 8.36 4.66 0.00 4.04 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 13 G 8.56 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 14 D 7.79 5.12 0.00 2.73 2.85 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 0.00 0.00 0.00 15 Y 9.03 3.98 0.00 3.18 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 16 D 8.27 4.47 0.00 2.98 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.09 4.04 0.00 1.88 1.95 0.00 1.90 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.58 1.56 7.81 18 A 8.32 4.00 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 19 L 8.03 3.75 0.00 1.89 1.86 0.84 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.01 4.02 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 21 S 8.17 4.12 0.00 4.11 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.20 4.09 0.00 1.71 1.77 0.96 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 23 I 8.06 3.69 2.06 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 1.53 1.05 0.92 0.00 0.00 24 I 7.85 3.69 2.04 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 1.47 0.69 0.93 0.00 0.00 25 A 8.24 3.96 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 26 N 8.42 4.24 0.00 2.88 2.88 0.00 0.00 6.97 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 27 A 7.68 3.98 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 28 A 8.16 4.08 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 29 R 7.89 4.07 0.00 1.94 2.00 0.00 3.54 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.79 0.00 30 E 8.06 4.30 0.00 2.14 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 2.34 2.32 0.00 *32 E 8.03 4.31 0.00 2.01 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 2.13 1.91 0.00 33 I 7.71 4.41 1.90 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 1.23 0.96 0.95 0.00 0.00 34 E 8.96 4.21 0.00 1.94 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 2.32 2.25 0.00 35 V 8.42 4.40 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 0.98 0.00 0.00 1.00 0.00 0.00 36 T 8.55 5.07 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 1.54 0.00 0.00 37 I 8.96 4.82 1.63 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.40 1.02 0.00 0.00 38 F 9.47 5.37 0.00 3.26 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 39 C 8.83 5.02 0.00 2.87 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 40 A 8.58 4.41 1.15 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 0.00 0.00 41 F 8.50 2.88 0.00 2.42 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 42 W 6.99 4.47 0.00 3.63 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 43 G 8.14 3.74 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 0.00 0.00 0.00 44 L 7.76 3.96 0.00 1.83 1.60 0.88 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.97 3.86 0.00 1.86 1.73 1.13 0.64 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 46 L 7.67 4.00 0.00 1.65 1.84 0.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.72 4.34 0.00 1.64 1.56 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 48 R 6.99 3.82 0.00 1.55 1.67 0.00 2.72 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.04 0.00 49 D 8.27 4.35 0.00 2.13 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 50 P 0.00 4.18 0.00 2.19 2.13 0.00 3.79 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 1.98 2.08 0.00 51 E 8.23 4.06 0.00 2.05 1.90 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 2.26 2.12 0.00 52 K 7.78 4.41 0.00 1.55 1.68 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.26 1.24 7.81 53 A 8.10 4.66 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 54 S 8.36 4.53 0.00 3.80 3.74 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 55 Q 8.55 4.64 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.67 0.00 0.00 0.00 0.00 0.00 2.16 1.87 0.00 56 E 7.91 4.21 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 2.24 2.12 0.00 57 D 8.87 4.52 0.00 2.87 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 58 K 7.46 4.85 0.00 1.67 1.66 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.31 1.40 7.81 59 S 8.77 4.39 0.00 4.05 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 60 L 8.48 3.98 0.00 1.85 1.86 0.98 0.99 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 61 Y 8.17 4.10 0.00 2.97 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 62 E 8.18 3.94 0.00 2.12 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 2.16 2.27 0.00 63 Q 8.46 3.96 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 64 A 8.18 3.97 1.33 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 0.00 0.00 65 F 8.49 3.95 0.00 3.19 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 66 S 8.25 4.24 0.00 3.95 4.15 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 67 S 8.32 4.26 0.00 3.94 3.88 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 68 L 7.79 4.22 0.00 1.59 1.61 0.89 0.62 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 69 T 6.75 4.17 4.09 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 0.44 0.00 0.00 70 P 0.00 4.30 0.00 2.06 1.96 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 71 R 8.87 4.25 0.00 1.77 1.93 0.00 3.18 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.54 0.00 72 E 7.61 4.55 0.00 2.09 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 2.21 2.26 0.00 73 A 8.67 3.97 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 74 E 8.16 4.30 0.00 1.99 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 2.36 2.50 0.00 75 E 8.08 4.38 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 76 L 7.70 4.30 0.00 1.75 1.87 0.92 1.13 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 77 P 0.00 4.61 0.00 2.08 2.13 0.00 3.93 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 78 L 8.32 4.71 0.00 1.60 1.83 1.04 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 79 S 9.27 4.47 0.00 3.99 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.10 4.40 0.00 1.87 1.82 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.34 7.81 *82 N 7.79 4.24 0.00 2.74 2.80 0.00 0.00 7.37 6.66 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 83 L 8.28 3.49 0.00 1.69 1.89 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.42 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.47 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 86 I 8.76 4.01 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 1.45 0.77 0.91 0.00 0.00 87 G 7.88 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 88 K 7.88 4.02 0.00 1.72 1.84 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.56 0.00 0.00 2.22 0.00 0.00 0.00 0.00 1.21 1.06 7.81 89 K 7.74 3.94 0.00 2.09 1.89 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.33 7.81 *91 L 7.75 4.21 0.00 1.63 1.79 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.92 4.08 0.00 1.76 1.66 0.77 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 93 E 7.87 4.13 0.00 2.05 1.83 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 2.29 2.28 0.00 *96 K 8.11 4.21 0.00 2.07 1.98 0.00 1.90 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.04 7.81 97 E 8.31 3.97 0.00 1.99 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 2.35 2.58 0.00 98 E 8.23 4.25 0.00 2.01 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 2.38 2.28 0.00 99 K 7.82 3.97 0.00 1.89 1.87 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.51 7.81 100 A 7.32 4.19 1.33 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 0.00 0.00 101 P 0.00 4.43 0.00 2.20 2.07 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 102 K 8.55 4.33 0.00 1.87 2.19 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.54 7.81 103 L 8.58 3.79 0.00 0.77 1.45 0.70 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.54 4.14 0.00 4.10 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 0.00 105 D 8.02 4.30 0.00 2.89 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 0.00 106 L 7.91 3.95 0.00 1.82 1.71 0.90 0.37 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 0.00 107 L 8.04 3.96 0.00 1.76 1.72 0.51 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.17 4.04 0.00 4.01 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 0.00 109 G 8.33 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 0.00 110 A 8.39 4.06 1.52 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 0.00 0.00 0.00 111 R 8.24 3.96 0.00 1.88 1.97 0.00 2.21 0.00 0.00 2.63 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 112 K 8.17 4.05 0.00 1.89 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.53 7.81 113 K 8.26 4.22 0.00 1.69 1.83 0.00 2.02 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.63 7.81 114 E 7.91 3.75 0.00 2.09 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 2.24 2.22 0.00 115 V 7.64 3.55 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 -0.20 0.00 0.00 0.82 0.00 0.00 116 K 8.84 4.23 0.00 1.75 1.40 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.35 7.81 117 F 8.42 5.08 0.00 2.88 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 9.43 5.33 0.00 3.17 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 0.00 119 A 8.99 5.10 1.08 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 0.00 0.00 0.00 0.00 0.00 *121 Q 8.82 4.14 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.72 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 122 L 7.90 3.88 0.00 1.78 1.57 0.88 1.00 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 0.00 123 S 7.62 3.50 0.00 3.52 3.41 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 0.00 124 V 7.61 3.76 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 1.15 0.00 0.00 0.92 0.00 0.00 125 E 7.90 3.94 0.00 2.07 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 2.30 2.38 0.00 126 I 7.50 3.65 1.66 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 1.33 0.48 0.69 0.00 0.00 *128 G 7.74 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 0.00 0.00 0.00 129 F 7.45 4.73 0.00 2.99 2.85 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 0.00 0.00 0.00 130 K 8.65 4.62 0.00 2.09 1.93 0.00 1.35 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.42 7.81 131 K 8.81 3.82 0.00 1.86 1.88 0.00 1.62 0.00 0.00 1.89 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.53 7.81 132 E 8.04 4.11 0.00 2.10 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 2.28 2.28 0.00 133 E 8.15 4.65 0.00 2.29 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.26 0.00 134 L 7.19 4.67 0.00 1.62 1.39 0.84 0.20 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 0.00 135 F 7.59 4.26 0.00 3.09 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 0.00 136 P 0.00 4.30 0.00 2.06 2.14 0.00 3.79 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 2.07 2.12 0.00 137 E 8.11 4.18 0.00 2.09 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 2.29 2.27 0.00 138 V 7.63 4.02 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 0.80 0.00 0.00 1.03 0.00 0.00 139 Q 8.55 4.88 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.63 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 140 I 8.60 5.06 1.93 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 1.07 1.43 1.01 0.00 0.00 *142 D 8.37 4.59 0.00 2.98 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 V 8.25 3.76 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 0.95 0.00 0.00 1.10 0.00 0.00 144 K 8.37 3.98 0.00 2.10 1.88 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.50 7.81 145 E 8.22 3.86 0.00 2.09 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 2.32 2.30 0.00 146 Y 7.63 3.55 0.00 1.43 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.91 3.45 0.00 1.79 1.60 0.96 1.16 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 0.00 148 K 7.63 3.74 0.00 2.01 1.85 0.00 1.92 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.33 7.81 149 N 7.82 4.42 0.00 2.62 2.69 0.00 0.00 7.16 8.71 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 0.00 150 A 7.92 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 L 7.88 3.97 0.00 1.71 1.68 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 152 E 7.53 4.33 0.00 2.01 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 2.26 2.40 0.00 153 S 7.02 4.58 0.00 4.02 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 0.00 154 D 8.66 4.64 0.00 2.73 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 0.00 155 L 7.74 4.71 0.00 1.53 1.51 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 8.76 4.98 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 157 L 9.03 5.05 0.00 1.65 1.60 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 158 F 8.99 5.26 0.00 3.08 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 0.00 159 I 8.48 4.33 1.89 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 1.16 0.66 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.