NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3388 8.3049 120.3422 55.2491 32.5987 174.7310 2 K 4.4019 7.8881 123.6479 54.8981 34.0708 173.8960 3 K 5.2164 10.5089 124.4016 54.9045 36.5187 174.6200 4 I 5.1427 9.1035 126.9277 59.4311 40.7491 174.0492 5 L 5.1839 8.9269 127.9755 53.2704 44.7006 174.5236 6 L 5.1619 9.2398 129.2411 53.6969 43.9445 174.8506 7 L 5.5540 9.3103 126.5393 53.0803 45.1641 175.2220 8 N 5.3886 9.2689 120.4375 51.7513 42.0116 175.0291 9 G 4.2908 8.9463 113.8589 43.8294 0.0000 170.8411 10 P 4.3309 0.0000 0.0000 64.4558 31.5385 176.5888 11 N 4.3867 9.6831 117.1378 53.7450 37.7539 176.2919 12 L 4.1344 7.4437 118.4788 57.1021 41.8105 178.5316 13 N 4.5166 7.9996 114.4878 54.7225 37.6681 175.4058 14 M 4.2864 7.9087 118.6186 55.4495 32.8692 176.0545 15 L 4.1068 7.6120 120.7336 56.2554 42.0531 178.2545 16 G 4.0282 8.7636 110.0881 46.2683 0.0000 173.8847 17 K 4.3623 7.7753 118.3881 57.0981 33.2417 178.2643 18 R 3.9365 7.8904 117.3684 58.8567 30.2526 177.4783 *25 S 4.3904 7.8671 110.4675 57.8191 63.8144 173.7961 26 Q 4.1254 7.9436 121.7379 56.3910 29.5049 175.4720 27 T 4.9912 8.3105 116.8950 59.0621 72.4417 175.5830 28 L 3.8117 8.1047 121.6200 58.3220 41.9763 178.5315 29 S 4.2399 7.8378 113.8821 60.8278 62.2868 175.6473 30 D 4.2777 7.8225 121.3521 57.3867 40.4796 178.9571 31 I 3.5972 7.3599 119.6478 64.2562 36.9602 178.2581 32 E 3.5817 8.0771 119.7205 59.4498 29.1978 179.5135 33 Q 3.9429 7.9548 118.1147 59.0682 28.7595 178.3559 34 H 4.1213 8.1353 119.1352 59.3989 29.8679 177.3562 35 L 3.8848 8.0109 120.8947 57.6923 41.3247 179.3223 36 Q 4.0153 8.2024 119.5505 59.3206 29.1106 178.3356 37 Q 3.9885 8.1965 119.1078 58.9441 28.8544 178.7218 38 S 4.0468 8.1642 113.9479 61.1988 62.4307 176.1097 39 A 4.1062 8.2398 123.6378 55.4734 18.1353 179.6986 40 Q 4.4194 8.7100 117.2756 57.9126 28.5216 178.3914 41 A 4.1254 7.8787 121.9502 54.1379 18.7013 178.0327 42 Q 4.3600 7.6410 112.3545 55.7939 29.0894 176.5823 43 G 3.7955 8.0577 106.5797 45.1697 0.0000 172.6500 44 Y 4.6723 7.9773 117.5454 55.7300 40.6897 174.8633 45 E 4.4108 8.8380 125.0934 55.9821 31.2514 175.1005 46 L 5.3604 8.4134 126.4169 53.6672 45.1427 175.1220 47 D 5.1818 9.1293 125.8617 52.7988 43.8799 174.8617 48 Y 5.5141 7.6341 117.7597 55.8708 41.5764 174.0567 49 F 5.0076 9.1044 121.0916 57.5352 43.4693 172.5981 50 Q 5.3507 7.6144 124.0791 54.0806 31.9919 173.3928 51 A 4.4847 8.3100 125.2180 51.0372 22.3003 175.5373 52 N 4.7745 8.8028 115.7892 53.0342 39.3526 175.8902 53 G 4.5215 7.7057 104.4601 42.0221 0.0000 173.6328 54 E 3.7703 8.6562 121.5153 59.1402 29.4513 179.3365 55 E 3.8589 8.1204 118.6630 59.4872 29.8374 178.8704 56 S 4.2051 8.1005 114.5256 61.6577 63.0205 176.6078 57 L 4.1850 7.9764 121.1595 57.9110 41.3236 179.6668 58 I 3.5781 8.2602 120.0339 64.4241 37.0156 178.1857 59 N 4.1822 8.3578 117.6980 56.3629 38.1008 177.4716 60 R 3.6520 7.4545 118.9158 59.0945 30.3247 178.3936 61 I 3.8340 7.6208 119.7554 64.7147 37.1195 178.0779 62 H 4.2564 8.3783 117.3671 59.0445 28.2927 177.8757 63 Q 4.1147 7.9711 118.4794 58.3379 28.7803 177.9805 64 A 4.2444 7.9483 121.4011 52.4538 18.5668 177.0479 65 F 4.3505 7.4233 119.7671 60.1975 39.6046 175.2269 66 Q 3.3946 8.5582 124.7070 56.2673 26.0949 173.3897 67 N 4.9781 8.2269 112.4223 52.0340 38.8867 174.3006 68 T 4.6850 7.8190 115.4515 62.1604 71.2225 173.3134 69 D 4.8716 8.9155 125.0564 55.2295 42.2816 176.3680 70 F 4.8061 7.9013 118.8924 57.1117 43.1221 172.5573 71 I 5.2565 8.4590 124.7788 59.6369 40.9182 174.3676 72 I 5.1642 9.0664 127.3993 59.6620 39.7742 174.4682 73 I 5.1286 9.0955 127.3318 59.2921 41.6209 173.4204 74 N 5.4790 9.5005 128.7311 50.5129 39.7693 173.0305 75 P 4.5384 0.0000 0.0000 62.5358 33.0799 177.9056 76 G 3.7263 8.6067 108.6936 46.3222 0.0000 175.7628 77 A 4.1925 8.3610 121.5123 54.9539 18.8068 179.5558 78 F 4.9205 7.7668 115.9114 59.8595 38.7444 177.3786 79 T 4.0130 8.0748 113.1958 65.0464 66.8657 175.1010 80 H 5.0124 8.4130 118.1423 56.1242 29.5572 175.8726 81 T 4.7188 8.0421 108.6864 61.3173 70.6587 173.2175 82 S 4.6508 8.4890 118.3332 56.8531 61.0854 174.2199 83 V 3.3436 7.6368 126.6006 65.0951 31.4965 177.0717 84 A 3.8709 7.7210 120.3617 55.1890 18.1785 179.5065 85 I 3.6475 7.7963 118.3054 64.0089 37.1477 178.4440 86 R 3.8485 7.6551 119.8731 59.8323 29.8999 178.4465 87 D 4.3631 8.3555 118.3454 56.9954 40.5674 178.7981 88 A 3.9669 7.7589 121.3547 55.1558 17.2891 179.6768 89 L 3.8818 7.9589 117.6139 57.9224 41.4936 179.8312 90 L 4.2243 8.1646 118.7865 57.6526 41.3180 179.3638 91 A 3.9334 8.0817 120.1691 54.6508 18.3826 179.1858 92 V 3.9390 7.4509 108.4687 60.6348 32.7929 176.0081 93 S 3.7721 7.7076 114.3853 59.9872 60.8263 172.6513 94 I 4.5085 7.1004 116.5032 58.4015 39.6976 174.6425 95 P 4.4846 0.0000 0.0000 62.9693 32.3934 175.1979 96 F 5.3822 8.0503 115.3308 55.4233 42.0217 172.8704 97 I 4.8814 8.9662 120.4957 59.5986 40.2066 174.1419 98 E 5.0550 8.8957 127.9856 55.0794 31.2794 174.8337 99 V 4.8732 8.7504 126.4177 61.4259 35.1932 173.8549 100 H 4.9373 8.8804 123.1154 54.1031 32.5386 174.3216 101 L 4.0681 8.8940 123.4366 57.5397 42.5007 177.7955 102 S 4.6575 7.8980 111.1627 56.6335 64.9945 173.5126 103 N 4.5931 8.2974 119.5393 52.4172 37.5772 175.7365 104 V 3.6037 8.1745 119.9900 64.3427 31.7791 177.4904 105 H 4.2977 8.2446 114.8120 56.9002 28.7958 175.6157 106 A 4.6308 7.9134 121.6525 51.7609 19.4973 177.4595 107 R 4.7882 7.2836 117.0726 55.8409 32.0603 175.5673 108 E 3.9438 8.1689 120.1946 56.5955 30.3507 176.0080 109 P 3.6405 0.0000 0.0000 65.4829 31.4989 178.6619 110 F 4.3539 7.6907 111.3515 58.9558 37.8986 175.9152 111 R 3.8248 7.0821 119.1347 56.8273 30.0735 176.9906 112 H 4.4181 7.9152 115.6416 57.5741 28.9433 174.8654 113 H 4.8109 8.0242 119.3307 54.3580 31.2923 173.3365 114 S 4.9045 7.7992 118.9083 57.1004 65.3451 173.0532 115 Y 4.7226 8.9588 123.0239 58.0428 38.5570 176.2521 116 L 4.8300 8.2516 120.8825 55.9508 44.2693 178.7966 117 S 4.2147 8.4054 114.6532 61.6939 62.8310 176.3003 118 D 4.3828 8.1582 117.6895 55.4048 39.3449 177.0860 119 V 4.1839 7.5705 110.5984 60.8329 32.2895 175.7172 120 A 2.7375 7.2157 123.4721 50.7123 19.1970 177.8908 121 K 3.9795 8.1309 122.7350 59.4190 32.8853 176.9778 122 G 4.0347 7.3244 104.3479 45.4059 0.0000 172.0166 123 V 5.0773 8.1250 118.9615 60.9471 34.9399 174.6255 124 I 4.6910 8.8966 127.7723 59.5964 40.2680 174.1826 125 C 5.0688 8.7656 121.7071 57.5991 31.9917 174.4887 126 G 3.9499 9.3255 111.5829 45.4714 0.0000 173.3355 127 L 4.5085 7.7656 117.6280 53.8163 42.4630 178.5389 128 G 3.8480 8.0530 109.3248 45.6392 0.0000 174.7357 129 A 4.2941 8.4907 118.9205 55.0798 18.3688 179.9664 130 K 4.4638 7.5194 117.7748 58.2894 32.0501 179.2906 131 G 3.6124 7.9659 106.7174 47.9565 0.0000 175.3977 132 Y 4.1597 7.8205 118.7930 60.9147 37.8324 178.2457 133 D 4.3521 7.8180 119.4594 57.6052 40.9674 178.2735 134 Y 4.4140 7.5245 117.0466 60.9814 37.8220 178.3160 135 A 4.0776 8.2248 121.8480 55.1125 18.4996 179.4633 136 L 3.8662 8.2223 118.9836 58.2746 42.1297 178.6548 137 D 4.2788 8.4173 118.2424 57.1979 41.1137 178.0708 138 F 3.8486 8.4520 120.9902 61.0497 39.4567 176.8182 139 A 2.7009 7.8003 120.3748 55.0106 17.9858 179.7468 140 I 3.0294 7.4411 118.0954 64.2182 37.0830 178.8715 141 S 3.9735 7.8022 116.1113 61.4742 62.6046 176.5910 142 E 3.7324 7.6971 121.1221 59.4582 29.1592 179.5010 143 L 4.0672 7.7445 118.8637 57.8985 41.6099 179.6754 144 Q 4.0814 8.4444 118.5246 58.8372 28.6301 178.9018 145 K 4.0211 8.0199 119.5825 59.3484 32.0818 179.5308 146 I 3.7357 7.7730 120.2359 64.3897 37.0230 178.2775 147 Q 3.9867 8.3666 120.6422 59.1010 28.8272 178.0366 148 L 4.0863 8.1061 121.6476 57.8972 41.8713 179.1017 149 G 3.6263 7.9467 104.9955 47.9670 0.0000 175.1941 150 E 4.1265 8.2988 121.1605 59.1188 29.1854 179.2303 151 M 4.0669 7.7176 117.5057 58.8861 32.4993 177.6270 152 M 4.4930 7.9926 114.8921 54.8258 32.1066 175.5531 153 N 4.7667 7.3164 118.1503 51.2517 40.6574 174.9320 *154 G 3.7274 8.6676 111.3879 45.7934 0.0000 172.0846 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 8.30 4.34 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.62 0.00 2 K 7.89 4.40 0.00 2.12 1.95 0.00 1.92 0.00 0.00 1.92 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.60 1.64 7.81 3 K 10.51 5.22 0.00 1.80 1.78 0.00 1.90 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.62 7.81 4 I 9.10 5.14 1.96 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.72 1.04 0.00 0.00 5 L 8.93 5.18 0.00 1.81 1.59 1.02 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.24 5.16 0.00 1.89 1.81 1.04 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 7 L 9.31 5.55 0.00 1.67 1.65 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 8 N 9.27 5.39 0.00 2.61 2.68 0.00 0.00 6.56 7.12 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 9 G 8.95 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 0.00 0.00 0.00 0.00 10 P 0.00 4.33 0.00 1.86 1.64 0.00 3.81 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.44 0.00 11 N 9.68 4.39 0.00 2.86 2.98 0.00 0.00 6.86 6.62 0.00 0.00 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 L 7.44 4.13 0.00 1.82 1.71 1.00 0.56 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 13 N 8.00 4.52 0.00 2.78 3.08 0.00 0.00 6.05 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 14 M 7.91 4.29 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.62 0.00 15 L 7.61 4.11 0.00 1.70 1.60 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.76 4.03 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 0.00 0.00 0.00 17 K 7.78 4.36 0.00 1.85 1.85 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.51 7.81 18 R 7.89 3.94 0.00 1.80 1.98 0.00 3.24 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 *25 S 7.87 4.39 0.00 3.84 3.92 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 26 Q 7.94 4.13 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.48 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 27 T 8.31 4.99 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 1.22 0.00 0.00 28 L 8.10 3.81 0.00 1.89 1.62 0.78 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.84 4.24 0.00 3.85 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 30 D 7.82 4.28 0.00 3.01 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 31 I 7.36 3.60 1.74 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.67 0.34 0.00 0.00 32 E 8.08 3.58 0.00 1.34 1.12 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 1.94 2.23 0.00 33 Q 7.95 3.94 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 34 H 8.14 4.12 0.00 3.26 3.47 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.01 3.88 0.00 1.66 1.69 0.79 1.24 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 36 Q 8.20 4.02 0.00 2.40 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.64 0.00 37 Q 8.20 3.99 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 38 S 8.16 4.05 0.00 3.81 3.90 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 39 A 8.24 4.11 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.71 4.42 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.60 2.43 0.00 41 A 7.88 4.13 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 42 Q 7.64 4.36 0.00 2.52 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.75 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 43 G 8.06 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 44 Y 7.98 4.67 0.00 3.06 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 45 E 8.84 4.41 0.00 2.12 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 2.28 0.00 46 L 8.41 5.36 0.00 1.81 1.56 0.99 1.35 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 47 D 9.13 5.18 0.00 2.65 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 7.63 5.51 0.00 2.89 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 49 F 9.10 5.01 0.00 3.17 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 50 Q 7.61 5.35 0.00 1.94 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.52 0.00 0.00 0.00 0.00 0.00 2.29 2.07 0.00 51 A 8.31 4.48 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 52 N 8.80 4.77 0.00 2.73 2.83 0.00 0.00 6.65 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.71 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 0.00 0.00 0.00 0.00 54 E 8.66 3.77 0.00 1.81 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 1.70 1.47 0.00 55 E 8.12 3.86 0.00 2.01 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 2.47 2.38 0.00 56 S 8.10 4.21 0.00 4.10 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 0.00 57 L 7.98 4.19 0.00 1.93 1.80 1.23 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.26 3.58 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.72 0.63 0.00 0.00 59 N 8.36 4.18 0.00 2.87 2.79 0.00 0.00 6.70 7.29 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 60 R 7.45 3.65 0.00 0.92 1.73 0.00 2.95 0.00 0.00 2.39 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.47 0.00 61 I 7.62 3.83 1.92 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 1.47 0.62 0.89 0.00 0.00 62 H 8.38 4.26 0.00 3.25 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.97 4.11 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 64 A 7.95 4.24 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 7.42 4.35 0.00 2.97 3.12 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 66 Q 8.56 3.39 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 1.28 1.16 0.00 67 N 8.23 4.98 0.00 2.77 2.81 0.00 0.00 6.67 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 7.82 4.68 4.39 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 1.35 0.00 0.00 69 D 8.92 4.87 0.00 2.74 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 70 F 7.90 4.81 0.00 3.14 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.46 5.26 1.97 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 1.31 0.81 0.99 0.00 0.00 72 I 9.07 5.16 2.08 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.00 1.14 0.00 0.00 73 I 9.10 5.13 1.93 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.97 0.98 0.00 0.00 74 N 9.50 5.48 0.00 2.85 3.05 0.00 0.00 6.84 7.52 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 75 P 0.00 4.54 0.00 2.41 2.36 0.00 3.78 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 76 G 8.61 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 77 A 8.36 4.19 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 78 F 7.77 4.92 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 79 T 8.07 4.01 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 0.93 0.00 0.00 80 H 8.41 5.01 0.00 3.36 3.47 0.00 5.61 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 81 T 8.04 4.72 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 1.36 0.00 0.00 82 S 8.49 4.65 0.00 3.62 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 83 V 7.64 3.34 1.78 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 0.90 0.00 0.00 -0.09 0.00 0.00 84 A 7.72 3.87 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 85 I 7.80 3.65 1.80 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 1.31 0.37 0.83 0.00 0.00 86 R 7.66 3.85 0.00 2.01 2.16 0.00 3.28 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 87 D 8.36 4.36 0.00 2.66 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 88 A 7.76 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 89 L 7.96 3.88 0.00 1.66 1.49 -0.11 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.16 4.22 0.00 1.84 1.73 0.96 0.77 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 91 A 8.08 3.93 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 92 V 7.45 3.94 2.32 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 0.82 0.00 0.00 1.08 0.00 0.00 93 S 7.71 3.77 0.00 4.07 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 94 I 7.10 4.51 1.91 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 1.50 0.91 0.95 0.00 0.00 95 P 0.00 4.48 0.00 1.58 2.04 0.00 3.56 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 1.47 1.90 0.00 96 F 8.05 5.38 0.00 3.15 3.02 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 97 I 8.97 4.88 2.11 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.18 0.95 0.00 0.00 98 E 8.90 5.06 0.00 2.32 1.89 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 2.28 2.30 0.00 99 V 8.75 4.87 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 0.29 0.00 0.00 0.84 0.00 0.00 100 H 8.88 4.94 0.00 3.05 3.21 0.00 5.67 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.89 4.07 0.00 1.63 1.73 1.00 1.01 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 0.00 102 S 7.90 4.66 0.00 3.96 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 0.00 103 N 8.30 4.59 0.00 2.75 2.77 0.00 0.00 6.87 7.71 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 0.00 104 V 8.17 3.60 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 0.57 0.00 0.00 0.65 0.00 0.00 105 H 8.24 4.30 0.00 3.20 3.24 0.00 5.83 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.91 4.63 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.28 4.79 0.00 1.61 1.63 0.00 3.18 0.00 0.00 3.15 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.71 0.00 108 E 8.17 3.94 0.00 1.16 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 2.37 2.27 0.00 109 P 0.00 3.64 0.00 2.11 2.01 0.00 3.49 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 110 F 7.69 4.35 0.00 3.01 3.16 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 0.00 111 R 7.08 3.82 0.00 1.63 1.80 0.00 2.88 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.50 0.00 112 H 7.92 4.42 0.00 3.22 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.02 4.81 0.00 3.13 3.09 0.00 5.61 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.80 4.90 0.00 3.81 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 0.00 115 Y 8.96 4.72 0.00 3.08 2.96 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 0.00 0.00 0.00 116 L 8.25 4.83 0.00 1.84 1.95 0.98 0.76 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 0.00 117 S 8.41 4.21 0.00 3.89 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.16 4.38 0.00 2.79 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 7.57 4.18 2.19 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 0.77 0.00 0.00 1.27 0.00 0.00 120 A 7.22 2.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.13 3.98 0.00 1.64 1.92 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.54 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.82 1.39 7.81 122 G 7.32 4.03 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 0.00 0.00 0.00 123 V 8.13 5.08 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 0.93 0.00 0.00 0.91 0.00 0.00 124 I 8.90 4.69 1.85 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 1.27 0.56 0.98 0.00 0.00 125 C 8.77 5.07 0.00 2.93 2.90 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 0.00 126 G 9.33 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 0.00 127 L 7.77 4.51 0.00 1.73 1.84 1.06 0.96 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 0.00 128 G 8.05 3.85 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 0.00 0.00 0.00 129 A 8.49 4.29 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 0.00 130 K 7.52 4.46 0.00 1.82 1.34 0.00 1.98 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.31 7.81 131 G 7.97 3.61 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 0.00 132 Y 7.82 4.16 0.00 3.13 2.96 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 0.00 0.00 0.00 133 D 7.82 4.35 0.00 2.55 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 0.00 134 Y 7.52 4.41 0.00 3.15 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 0.00 135 A 8.22 4.08 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.22 3.87 0.00 1.87 1.87 0.89 0.99 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 0.00 137 D 8.42 4.28 0.00 2.90 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 0.00 138 F 8.45 3.85 0.00 3.27 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.80 2.70 0.66 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 0.00 0.00 140 I 7.44 3.03 1.63 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 0.56 0.38 0.69 0.00 0.00 141 S 7.80 3.97 0.00 3.61 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 0.00 142 E 7.70 3.73 0.00 1.93 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 1.53 2.35 0.00 143 L 7.74 4.07 0.00 1.69 1.88 0.85 0.97 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 0.00 144 Q 8.44 4.08 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.66 0.00 145 K 8.02 4.02 0.00 1.94 1.83 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.60 7.81 146 I 7.77 3.74 2.06 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 1.43 1.13 0.94 0.00 0.00 147 Q 8.37 3.99 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 148 L 8.11 4.09 0.00 1.82 1.65 0.92 1.09 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 0.00 149 G 7.95 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 0.00 150 E 8.30 4.13 0.00 2.18 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 2.34 2.69 0.00 151 M 7.72 4.07 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 152 M 7.99 4.49 0.00 2.02 2.08 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 2.78 2.57 0.00 153 N 7.32 4.77 0.00 2.72 2.72 0.00 0.00 6.82 7.51 0.00 0.00 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 G 8.67 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 * Residues marked with a * may have inaccurate shift predictions.