NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4217 8.4045 118.7948 54.4073 34.3657 176.6890 2 Q 4.1906 7.8594 117.0392 53.9683 26.6671 178.5738 3 A 5.0004 7.2991 123.3184 51.2077 22.0841 177.6498 4 R 4.7906 8.7855 114.9621 54.8118 33.4639 174.3596 5 V 5.0985 8.4094 112.5038 59.5425 35.4476 174.9218 6 K 4.7589 9.3762 124.9761 54.0299 35.4090 175.1892 7 W 3.8061 9.1560 135.0000 57.5890 31.0462 175.3093 8 V 3.6904 8.2311 127.0339 63.2800 31.5879 175.4618 9 E 4.2756 7.7641 114.9197 56.1231 32.4738 180.1641 10 G 4.0527 8.6127 110.6392 47.1714 0.0000 174.1469 11 L 5.1604 8.6767 121.5369 54.5379 43.4069 174.3178 12 T 5.0267 8.8529 117.1025 62.5090 70.3815 174.2294 13 F 5.2282 9.7404 124.9053 55.5165 42.9871 174.0542 14 L 4.8818 9.3484 125.2930 54.3370 43.8600 175.5281 15 G 4.5215 9.2274 112.4598 44.3593 0.0000 170.9018 16 E 5.3443 9.3977 125.8202 54.2629 32.5924 175.4411 17 S 4.8075 9.2918 121.8295 57.2785 64.4917 174.8445 18 A 4.2439 8.4078 123.6237 53.6246 18.3622 178.3788 19 S 4.3915 7.9950 109.6088 58.3220 63.4371 174.5889 20 G 3.7671 8.3111 108.9204 46.5982 0.0000 172.9117 21 H 5.1277 8.0205 114.6745 53.6315 32.8718 172.8560 22 Q 5.3202 8.6498 117.7948 54.4251 32.4805 174.5303 23 I 4.8193 9.0750 114.7003 59.6400 42.0795 173.3509 24 L 5.2626 8.4817 120.8993 53.2736 44.5175 176.2428 25 M 4.9885 9.4106 123.2414 53.5842 35.2319 174.4085 26 D 5.3084 8.9065 121.9648 52.6167 43.7576 176.1435 27 G 3.9025 9.3831 113.2905 46.6661 0.0000 174.1060 28 N 4.7668 9.5230 122.2907 53.0295 37.0554 175.2639 29 S 3.9762 8.5894 113.0342 59.6869 61.3301 172.7588 30 G 4.4833 7.8190 103.1441 46.4424 0.0000 175.3885 31 D 4.4144 8.0745 118.9131 56.6550 41.6085 177.0219 32 K 4.3852 8.3308 115.8003 56.4887 33.4608 175.8154 33 A 4.5820 7.4063 118.8153 50.0553 22.7146 173.8002 34 P 4.8670 0.0000 0.0000 62.9824 32.7159 176.6380 35 S 4.7335 9.3999 118.0690 57.5943 64.2778 173.2799 36 P 4.2396 0.0000 0.0000 66.5585 31.0912 178.8612 37 M 4.1108 7.9642 116.5483 58.2865 31.7838 178.5212 38 E 4.0900 8.1293 118.5571 59.4498 29.5337 178.8557 39 M 4.0124 8.1502 118.9009 58.7797 32.1491 179.0062 40 V 3.6217 7.9788 117.8652 65.8567 31.7019 177.8069 41 L 3.8465 8.0329 119.8745 58.5639 41.9340 178.8985 42 M 4.0616 8.3145 118.5299 58.3344 31.7924 178.6930 43 A 3.9845 8.2862 120.9933 54.8525 18.5426 179.5663 44 A 4.0422 8.2113 119.5666 55.3258 18.4623 180.0052 45 G 3.6976 8.2458 104.4207 47.8479 0.0000 176.1775 46 G 3.5829 8.2772 108.1413 47.5425 0.0000 174.9693 47 C 4.2432 8.5355 121.7702 59.5233 44.7340 175.7379 48 S 4.2207 8.4346 117.5960 61.1770 62.4695 176.7717 49 A 4.2302 8.3843 123.3130 55.0157 18.0923 179.5987 50 I 3.6337 8.1503 118.8413 64.9529 36.9532 178.4388 51 D 4.3223 8.0404 119.3772 57.1217 40.4321 179.1257 52 V 3.4321 7.7075 118.8963 66.0914 31.5549 178.6390 53 V 3.6432 7.9889 112.2344 64.1091 31.2278 178.8485 54 S 4.0387 8.0567 115.1256 61.5918 62.7223 176.4804 55 I 3.5313 7.5312 122.3278 64.5702 36.7843 178.4571 56 L 3.9414 7.5455 119.3654 57.8221 41.3390 179.7637 57 Q 3.9246 8.1031 117.9430 58.9118 28.4796 178.5680 58 K 3.9793 7.9963 118.5523 59.4472 32.0959 178.5665 59 G 3.9482 8.0199 105.5178 44.7825 0.0000 174.4524 60 R 3.9452 7.6806 116.0841 56.6053 27.6053 179.8602 61 Q 4.2458 8.0693 117.5373 56.6728 29.7199 176.9202 62 D 4.6166 8.3565 123.5813 52.9945 39.8263 175.2438 63 V 3.9842 7.4105 120.1966 61.4066 32.7313 176.8460 64 V 4.2993 8.8711 124.3800 63.6281 33.6701 174.7761 65 D 4.7908 7.8034 117.6112 53.4347 44.8306 173.6770 66 C 5.2118 8.3954 122.6270 58.2212 34.6639 172.5610 67 E 4.8149 9.3806 126.4558 54.3558 33.2932 174.2423 68 V 4.5793 8.2253 124.1099 60.9813 34.3252 174.7496 69 K 4.3113 8.9935 128.7826 55.6044 33.1393 175.7023 70 L 5.0911 8.4028 125.9128 53.2522 43.2390 176.2163 71 T 4.8669 8.3510 113.4977 60.1607 72.3250 172.9214 72 S 5.1230 8.3253 115.4773 57.4003 65.8641 173.0603 73 E 5.0993 9.1829 119.4010 54.7895 32.8153 174.7677 74 R 5.2163 8.3930 115.7854 54.3949 32.8488 174.8435 75 R 4.0078 8.7670 119.8067 55.9393 31.3222 177.1138 76 E 4.0672 8.2997 123.5930 56.3821 29.2573 176.8610 *80 R 4.4090 7.5381 110.3835 55.8716 32.0906 176.6965 81 L 4.0091 7.6642 116.7499 54.2407 42.4603 177.0046 82 F 4.8568 8.2937 121.0353 58.3687 39.5070 175.4747 83 T 4.4009 9.3586 116.4243 63.9911 70.6628 174.4568 84 H 5.3952 8.0154 120.6657 54.9748 33.6328 172.2401 85 I 4.6565 8.5711 126.1321 59.3511 40.5687 173.7495 86 N 5.1968 8.7792 126.1968 51.1368 40.8704 173.6241 87 L 4.0816 8.8919 128.0400 54.0268 42.9218 175.6999 88 H 5.0862 8.7062 126.3385 54.6113 30.9933 173.9750 89 F 4.7236 9.1972 126.5760 57.1798 40.4988 175.0540 90 I 4.8078 9.2123 125.0943 59.7960 39.1681 174.3341 91 V 4.7692 8.8161 128.3850 61.5618 33.3290 174.5748 92 T 5.0702 8.6646 124.9499 62.3071 71.3643 174.2669 93 G 3.6510 8.5178 112.7830 47.5350 0.0000 172.4252 94 R 4.4741 8.3615 116.7669 56.8598 29.9195 173.2622 95 D 4.9574 7.5755 117.7794 53.6128 42.0315 176.5791 96 L 4.1912 8.0636 121.8274 55.5089 42.3439 178.1901 97 K 4.5363 8.2860 127.2527 55.3238 34.6209 175.2402 98 D 4.5987 8.6177 119.7759 57.8601 41.2481 178.7792 99 A 3.9882 8.0179 120.4266 55.0603 18.3523 179.3314 100 A 3.9032 7.7382 118.9647 55.1781 18.5001 179.8994 101 V 3.2987 7.7587 116.6787 65.5978 31.5256 178.2127 102 A 3.3810 7.9882 120.9805 54.9531 18.2197 179.0665 103 R 3.6958 7.7978 116.9325 59.9444 30.0737 178.2753 104 A 3.8004 7.9207 120.0290 55.1928 18.3143 179.8293 105 V 3.0302 7.6519 116.8324 65.7427 31.5158 177.9479 106 D 4.2207 8.4114 118.9607 57.5415 40.6703 178.8954 107 L 4.1136 8.2021 119.7258 57.6308 41.2071 179.4926 108 S 4.0786 7.9145 112.8569 61.5951 62.1877 176.2772 109 A 4.1263 7.9605 121.8806 54.0288 18.2400 178.2471 110 E 4.6304 8.1606 113.8499 56.0101 31.2541 176.5954 111 K 4.3193 8.0474 116.9931 56.5974 34.5896 175.9536 112 Y 4.2513 8.3561 114.3265 57.8644 39.7085 174.6987 113 C 4.8295 8.2645 119.9837 54.2173 44.7130 174.0068 114 S 4.0518 8.6790 124.1384 61.5845 62.5632 176.4609 115 V 3.5739 7.7763 121.1838 65.4710 31.3012 177.7797 116 A 3.9922 7.8968 120.0945 55.3149 18.1910 179.5543 117 L 4.1418 7.8938 116.1066 57.9806 41.6482 179.3949 118 M 4.2343 8.2783 119.1320 58.3147 31.8785 178.7427 119 L 4.1513 7.8767 118.8223 57.6360 41.6159 178.9650 120 E 4.3387 8.2727 121.7604 59.2916 29.4995 179.6461 121 K 4.3103 7.5928 119.3950 57.8532 31.9879 180.6694 122 A 4.8458 8.6629 118.2794 52.1423 20.7650 176.2657 123 V 4.4934 7.5001 114.9212 60.8556 35.3805 174.6358 124 N 4.5524 9.0470 125.8153 53.7501 39.2521 173.4100 125 I 4.9847 8.2798 127.7796 59.9495 38.7220 175.3640 126 T 4.8692 8.9222 118.2816 60.0033 71.6422 172.9563 127 H 5.6640 8.3737 117.9400 54.4252 32.1159 172.2389 128 S 5.0145 9.3501 112.8912 58.1742 66.5286 172.6669 129 Y 5.5092 8.1784 117.8929 56.0695 41.0422 173.3369 130 E 4.7354 9.5877 117.3732 54.8709 33.8155 174.0617 131 V 4.9008 8.4113 119.8161 61.1839 34.2146 174.5927 132 V 4.5569 8.8336 127.7047 60.6635 34.1535 174.6665 133 A 4.6865 8.6555 128.9185 51.9324 19.2669 177.1305 134 A 4.2294 8.5572 122.0572 52.1930 18.2964 177.5509 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 8.40 4.42 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 Q 7.86 4.19 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.88 0.00 0.00 0.00 0.00 0.00 2.27 1.99 0.00 3 A 7.30 5.00 1.24 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 0.00 0.00 4 R 8.79 4.79 0.00 1.89 2.00 0.00 2.74 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 5 V 8.41 5.10 2.30 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 0.73 0.00 0.00 0.99 0.00 0.00 6 K 9.38 4.76 0.00 1.81 1.67 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.40 7.81 7 W 9.16 3.81 0.00 3.24 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 8 V 8.23 3.69 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 0.75 0.00 0.00 0.95 0.00 0.00 9 E 7.76 4.28 0.00 1.97 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 2.02 2.09 0.00 10 G 8.61 4.05 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 0.00 0.00 0.00 11 L 8.68 5.16 0.00 1.69 1.81 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.85 5.03 4.40 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 1.23 0.00 0.00 13 F 9.74 5.23 0.00 2.91 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 14 L 9.35 4.88 0.00 1.68 1.74 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.23 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 0.00 0.00 0.00 0.00 16 E 9.40 5.34 0.00 2.01 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 2.20 2.23 0.00 17 S 9.29 4.81 0.00 4.02 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 18 A 8.41 4.24 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 19 S 8.00 4.39 0.00 4.07 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 20 G 8.31 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 21 H 8.02 5.13 0.00 3.19 3.20 0.00 5.75 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 22 Q 8.65 5.32 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 23 I 9.08 4.82 1.91 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 1.27 1.10 0.94 0.00 0.00 24 L 8.48 5.26 0.00 1.54 1.62 1.01 0.85 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 25 M 9.41 4.99 0.00 1.95 2.04 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 2.57 2.48 0.00 26 D 8.91 5.31 0.00 2.75 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 27 G 9.38 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 0.00 0.00 0.00 28 N 9.52 4.77 0.00 2.81 2.81 0.00 0.00 7.03 6.95 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 29 S 8.59 3.98 0.00 4.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.82 4.48 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 31 D 8.07 4.41 0.00 2.93 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 32 K 8.33 4.39 0.00 1.99 1.84 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.41 7.81 33 A 7.41 4.58 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 34 P 0.00 4.87 0.00 2.11 2.02 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 35 S 9.40 4.73 0.00 3.88 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 36 P 0.00 4.24 0.00 2.12 2.12 0.00 3.57 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 2.04 2.16 0.00 37 M 7.96 4.11 0.00 1.82 1.99 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.31 0.00 38 E 8.13 4.09 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 2.40 2.40 0.00 39 M 8.15 4.01 0.00 2.06 2.28 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 2.66 2.75 0.00 40 V 7.98 3.62 2.43 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 1.11 0.00 0.00 1.06 0.00 0.00 41 L 8.03 3.85 0.00 2.04 1.64 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 42 M 8.31 4.06 0.00 2.10 2.21 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 2.70 2.56 0.00 43 A 8.29 3.98 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 44 A 8.21 4.04 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 45 G 8.25 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.28 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 C 8.54 4.24 0.00 3.00 3.30 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 48 S 8.43 4.22 0.00 4.29 4.41 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 49 A 8.38 4.23 1.47 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 0.00 0.00 50 I 8.15 3.63 2.10 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 0.98 0.91 0.00 0.00 51 D 8.04 4.32 0.00 2.68 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 52 V 7.71 3.43 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 0.81 0.00 0.00 0.24 0.00 0.00 53 V 7.99 3.64 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 0.87 0.00 0.00 0.97 0.00 0.00 54 S 8.06 4.04 0.00 3.98 3.82 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 55 I 7.53 3.53 1.70 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.82 0.75 0.00 0.00 56 L 7.55 3.94 0.00 1.57 1.66 0.83 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.10 3.92 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 58 K 8.00 3.98 0.00 1.76 1.84 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.43 7.81 59 G 8.02 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 60 R 7.68 3.95 0.00 2.00 1.88 0.00 3.27 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.45 0.00 61 Q 8.07 4.25 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.45 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 62 D 8.36 4.62 0.00 2.70 2.56 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 0.00 0.00 0.00 0.00 63 V 7.41 3.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.97 0.00 0.00 64 V 8.87 4.30 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 0.76 0.00 0.00 0.99 0.00 0.00 65 D 7.80 4.79 0.00 2.73 2.44 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 0.00 0.00 0.00 0.00 66 C 8.40 5.21 0.00 3.00 2.77 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 67 E 9.38 4.81 0.00 2.06 1.72 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 0.00 2.18 2.22 0.00 68 V 8.23 4.58 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.89 0.00 0.00 69 K 8.99 4.31 0.00 1.70 1.70 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.57 7.81 70 L 8.40 5.09 0.00 1.43 1.46 0.85 0.78 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 71 T 8.35 4.87 4.21 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 0.00 0.00 0.00 1.17 0.00 0.00 72 S 8.33 5.12 0.00 3.57 3.44 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 0.00 0.00 0.00 0.00 73 E 9.18 5.10 0.00 2.05 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 0.00 2.25 2.40 0.00 74 R 8.39 5.22 0.00 1.96 2.03 0.00 2.96 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 75 R 8.77 4.01 0.00 1.73 1.89 0.00 3.28 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 76 E 8.30 4.07 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 *80 R 7.54 4.41 0.00 1.76 1.88 0.00 3.44 0.00 0.00 4.01 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 81 L 7.66 4.01 0.00 1.70 1.57 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.29 4.86 0.00 3.07 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 83 T 9.36 4.40 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 1.31 0.00 0.00 84 H 8.02 5.40 0.00 3.22 3.15 0.00 5.80 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 85 I 8.57 4.66 1.69 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.35 0.69 0.00 0.00 86 N 8.78 5.20 0.00 2.75 2.60 0.00 0.00 7.04 6.23 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 87 L 8.89 4.08 0.00 1.59 1.20 1.04 0.61 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 88 H 8.71 5.09 0.00 3.22 3.25 0.00 5.77 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 9.20 4.72 0.00 3.15 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 90 I 9.21 4.81 1.90 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 1.14 0.99 0.95 0.00 0.00 91 V 8.82 4.77 2.14 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 1.00 0.00 0.00 0.99 0.00 0.00 92 T 8.66 5.07 4.33 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 1.28 0.00 0.00 93 G 8.52 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 R 8.36 4.47 0.00 1.65 1.74 0.00 3.22 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 95 D 7.58 4.96 0.00 2.61 2.65 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 0.00 0.00 0.00 0.00 96 L 8.06 4.19 0.00 1.64 1.59 0.94 0.90 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 97 K 8.29 4.54 0.00 1.75 1.67 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.05 7.81 98 D 8.62 4.60 0.00 2.85 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 99 A 8.02 3.99 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 0.00 100 A 7.74 3.90 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 0.00 101 V 7.76 3.30 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.91 0.00 0.00 102 A 7.99 3.38 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 0.00 103 R 7.80 3.70 0.00 2.00 2.04 0.00 3.06 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 104 A 7.92 3.80 1.18 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 0.00 105 V 7.65 3.03 1.74 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 0.92 0.00 0.00 0.51 0.00 0.00 106 D 8.41 4.22 0.00 2.98 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 0.00 107 L 8.20 4.11 0.00 1.60 1.91 0.87 0.76 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 0.00 108 S 7.91 4.08 0.00 3.79 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 0.00 109 A 7.96 4.13 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 0.00 110 E 8.16 4.63 0.00 2.09 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 2.26 2.32 0.00 111 K 8.05 4.32 0.00 1.62 1.93 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.58 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.57 1.18 7.81 112 Y 8.36 4.25 0.00 2.93 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 0.00 113 C 8.26 4.83 0.00 3.17 3.08 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 0.00 114 S 8.68 4.05 0.00 4.09 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 0.00 115 V 7.78 3.57 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 1.08 0.00 0.00 0.95 0.00 0.00 116 A 7.90 3.99 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 0.00 117 L 7.89 4.14 0.00 1.84 1.74 0.88 0.94 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 0.00 118 M 8.28 4.23 0.00 2.07 2.12 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 2.80 2.58 0.00 119 L 7.88 4.15 0.00 1.84 1.75 0.96 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 0.00 120 E 8.27 4.34 0.00 2.11 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 2.38 2.35 0.00 121 K 7.59 4.31 0.00 1.90 1.71 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.32 7.81 122 A 8.66 4.85 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 0.00 123 V 7.50 4.49 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 1.06 0.00 0.00 1.14 0.00 0.00 124 N 9.05 4.55 0.00 2.95 2.93 0.00 0.00 7.06 7.23 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 0.00 125 I 8.28 4.98 1.90 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 1.37 0.92 0.93 0.00 0.00 126 T 8.92 4.87 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 1.29 0.00 0.00 127 H 8.37 5.66 0.00 3.43 3.47 0.00 5.57 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 S 9.35 5.01 0.00 3.93 4.04 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 0.00 129 Y 8.18 5.51 0.00 3.10 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 0.00 130 E 9.59 4.74 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 131 V 8.41 4.90 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 0.86 0.00 0.00 1.15 0.00 0.00 132 V 8.83 4.56 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 0.92 0.00 0.00 0.96 0.00 0.00 133 A 8.66 4.69 1.24 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 0.00 0.00 134 A 8.56 4.23 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 * Residues marked with a * may have inaccurate shift predictions.