NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4034 8.3144 120.0786 56.2549 33.7934 174.4221 3 L 4.2319 8.6540 128.2634 52.9503 43.2943 173.8648 4 Q 4.3635 8.6630 126.6477 55.7404 30.0102 175.3765 5 V 3.9997 8.1462 124.9263 61.6698 32.4314 175.0748 6 L 4.8993 8.2013 127.2062 51.8017 45.4962 174.1819 7 P 4.7200 0.0000 0.0000 62.9863 31.8808 176.0720 8 L 4.0337 8.5187 127.4193 54.9641 42.5905 176.3699 9 S 4.6107 8.0878 119.2424 55.3907 66.6945 174.2780 10 Q 3.9479 8.8824 122.7376 59.9189 28.3609 179.2287 11 E 3.9841 8.0889 117.0917 59.3675 29.6765 178.8026 12 A 4.2522 7.6701 119.3773 54.2738 18.7971 178.5352 13 F 4.5409 7.8256 118.1443 59.4018 39.3553 177.6586 14 S 4.4475 8.1380 115.3127 61.0217 62.3339 176.2144 15 A 3.6304 7.8134 122.0848 53.7976 18.3792 177.7261 16 Y 4.5749 8.9899 114.2145 58.1852 39.6698 176.2526 17 G 3.5685 5.8173 105.9830 45.7352 0.0000 170.4104 18 D 5.0530 8.2459 120.1225 52.5232 45.2237 175.1877 19 V 4.2507 8.4353 121.9358 62.0027 32.8606 175.0864 20 I 4.3670 8.3720 129.9845 60.6503 38.2100 174.6861 21 E 4.9179 8.2798 123.6710 56.5515 31.3835 175.5677 22 T 3.9036 7.8811 109.1472 62.0877 70.3553 174.8450 23 Q 3.9307 7.8733 119.5938 57.8076 28.4097 176.3961 24 Q 3.6409 8.8248 119.3370 56.5201 26.5203 173.2613 25 R 4.6123 7.9368 116.7721 54.5665 30.2964 176.0997 26 D 4.6223 8.4916 121.4714 54.6063 41.8711 175.3720 27 F 4.9495 7.8971 116.6328 55.1848 41.7371 173.3599 28 F 5.0209 8.6660 117.5335 56.0604 41.4448 175.0163 29 H 5.0949 9.0037 120.5787 55.5699 29.2541 174.7058 30 I 4.4365 8.9103 124.9221 59.4426 40.6416 175.1484 31 N 3.8774 8.8851 120.4543 56.3535 37.5615 173.8700 32 N 4.1437 9.1205 110.7436 54.5790 36.3368 175.7093 33 G 4.0728 8.1483 101.7396 45.9243 0.0000 173.8132 34 L 4.1594 7.7534 119.8925 56.8426 42.0043 177.8322 35 V 4.5414 7.9396 111.3339 59.3941 35.5013 174.7918 36 E 4.8552 8.7936 124.0950 54.8527 30.9612 175.8676 37 R 4.2579 9.0685 127.6028 55.4816 30.8667 175.0186 38 Y 4.8986 8.6485 125.8207 57.3425 37.2007 174.9984 39 H 4.6842 8.1183 118.4220 54.5005 30.6176 174.5791 40 D 4.4716 8.5926 116.1357 55.6510 38.1593 175.3768 41 L 4.1426 8.0968 119.2460 57.4075 42.3305 177.6047 42 A 4.6193 7.5454 118.0684 50.8142 21.8627 174.6642 43 L 4.6625 8.3000 121.7967 53.0070 44.2379 175.9533 44 V 4.0070 8.3111 126.0773 62.3849 32.6555 175.1232 45 E 4.6121 9.2302 126.9631 54.6225 32.1064 174.1854 46 I 4.7951 8.0568 124.2668 59.0837 39.7983 175.3562 47 L 4.0226 8.9057 129.9140 57.8424 42.0445 176.9126 48 E 4.5677 7.8067 116.0951 54.3425 31.0966 175.1969 49 Q 4.0347 8.8372 125.7005 59.6964 29.0563 178.2552 50 D 4.6877 8.0730 112.8815 54.7960 39.4175 176.3130 51 R 4.5548 8.3126 118.4886 56.6335 32.1743 175.6075 52 T 4.7708 8.0531 117.7513 62.4756 67.8226 173.2440 53 L 4.8192 8.6385 125.6398 52.6711 45.0797 175.1913 54 I 5.0434 8.3232 123.5835 59.9595 39.0799 174.9558 55 S 4.8012 9.1233 120.5822 57.0354 67.3925 172.4315 56 I 5.0910 8.2689 119.2734 59.7348 40.2195 174.9150 57 N 4.9339 9.2901 125.0162 51.6740 40.5604 173.8629 58 R 5.0193 8.7479 124.8886 54.9208 31.4334 175.0332 59 A 4.9391 8.9316 128.5007 50.1344 22.2147 175.4420 60 Q 4.6089 8.7176 120.7553 54.8267 30.4516 173.8363 61 P 4.9573 0.0000 0.0000 62.6944 32.2638 176.0135 62 A 4.3565 8.7781 124.2093 51.7891 19.2430 177.2506 63 N 4.5118 8.6783 117.9493 52.7648 39.4920 174.8811 64 L 4.9544 8.0096 121.8157 52.8625 43.1819 174.6257 65 P 4.5129 0.0000 0.0000 62.7488 32.3480 174.9531 66 L 4.6897 8.5062 121.6189 53.6885 44.1655 174.6718 67 T 5.2042 8.5462 120.6530 60.1947 69.9598 172.8434 68 I 4.7749 8.9402 121.3327 59.4278 41.3428 175.9302 69 H 4.9185 8.4883 115.6906 56.1400 30.8594 171.9167 70 E 5.1437 7.7593 115.0175 56.2374 32.1019 173.8564 71 L 5.1237 8.8857 119.5138 53.1349 46.7133 175.2733 72 E 5.5160 9.5265 118.4246 54.8331 33.3421 174.9034 73 R 4.6743 8.5246 115.8342 55.0495 33.5236 173.8629 74 H 4.6038 8.4454 117.4933 53.3554 30.4307 172.5167 75 P 4.1976 0.0000 0.0000 64.7355 31.5706 177.7762 76 L 4.4028 7.7367 116.3679 54.8799 42.3310 175.7898 77 G 4.4173 7.2775 103.2493 45.1819 0.0000 173.5084 78 T 4.5062 8.6013 112.9014 61.7868 70.2170 173.8340 79 Q 4.4126 8.7298 122.9921 55.0189 32.3463 172.8429 80 A 5.1244 8.7023 128.9912 50.1472 22.1038 175.0883 81 F 5.4768 9.2080 119.7838 55.8437 43.1704 174.2003 82 I 4.8920 9.1265 124.1734 58.9080 40.4670 174.5151 83 P 4.1814 0.0000 0.0000 61.7151 31.3636 176.6328 *85 K 3.9631 8.4247 115.0872 57.0174 33.2598 176.5922 86 G 4.0811 8.4675 104.3319 45.1786 0.0000 174.1444 87 E 4.2142 7.7221 119.4804 55.7913 30.5936 176.6467 88 V 4.0088 8.5269 124.2456 63.2880 32.6707 174.6508 89 F 5.1426 8.9970 121.1477 55.7558 42.0621 172.8181 90 V 4.6053 8.1138 117.2007 61.1817 34.3707 174.9221 91 V 4.7800 8.8839 119.3658 59.6233 36.1919 174.6168 92 V 4.9705 8.5945 122.3442 61.4190 34.9052 174.6024 93 V 5.3555 9.0391 119.4169 60.2135 36.5512 173.9991 94 A 5.1715 9.2450 123.0134 51.2472 23.2671 176.4988 95 L 4.8613 9.2017 120.9891 52.8401 44.9736 174.5480 96 G 4.4008 9.0201 106.6178 45.5253 0.0000 173.3211 97 D 4.5377 8.2830 127.0532 57.0408 41.5495 177.3103 98 D 4.7227 8.0102 122.4039 56.7715 41.6905 176.9908 99 K 4.3809 7.7430 116.1164 53.6469 36.1918 173.4823 100 P 3.3329 0.0000 0.0000 62.8238 31.5377 176.3242 101 D 4.5335 9.0525 124.0828 52.9726 40.2412 176.5646 102 L 4.2846 8.3118 127.7135 57.0853 41.8493 179.5004 103 S 4.4065 7.8888 111.9493 59.8900 63.2068 174.6074 104 T 4.5937 8.0331 110.6846 61.4009 69.6315 174.5556 105 L 4.4109 7.4724 125.0197 55.6096 42.5136 176.2515 106 R 4.6495 8.8906 123.8859 54.4687 35.2975 173.8550 107 A 4.9729 7.6645 121.1329 50.2665 22.7103 175.0836 108 F 5.3649 9.1887 118.9091 55.7280 44.0126 173.5250 109 I 4.7043 8.4817 121.8610 59.3877 40.6690 175.4158 110 T 4.6053 8.1357 119.9856 60.7056 70.4765 174.0970 111 N 4.6391 9.2537 117.1490 52.4397 37.4923 176.1584 112 G 4.0203 8.3030 108.0489 45.0836 0.0000 174.3318 113 E 4.8422 8.6575 117.9267 55.9107 30.5493 175.7116 114 Q 4.7988 8.1483 117.8352 54.1514 32.4390 174.8639 115 G 4.4489 9.0607 109.9995 44.6754 0.0000 172.0851 116 V 4.8628 8.8140 111.4666 59.3725 36.3645 174.9081 117 N 5.1988 9.1396 121.9949 51.9557 41.5616 172.9100 118 Y 4.6021 8.8039 125.6424 57.7723 39.1838 175.6370 119 H 4.5461 8.8699 121.4706 55.5432 30.3811 175.2883 120 R 4.0949 8.3935 119.1172 58.1266 30.2341 177.0208 121 N 4.2272 8.6667 119.6644 53.2447 38.7096 173.9908 122 V 3.9848 7.1718 117.2369 62.7355 32.4940 175.7491 123 W 4.7687 8.8816 128.5715 57.2744 30.3163 174.9945 124 H 6.0304 9.1116 118.6350 55.2460 31.9969 171.8637 125 H 4.7551 8.8242 118.6912 54.7042 30.6039 172.9906 126 P 4.2328 0.0000 0.0000 62.5336 31.7953 175.9931 127 L 3.7575 8.4372 123.4839 55.5540 42.3223 176.1281 128 F 5.1883 7.9606 119.1799 55.2415 41.4270 173.8754 129 A 4.7731 8.8780 122.1783 51.1557 20.9545 175.8583 130 W 5.0288 8.7041 128.8648 57.1528 32.0097 174.8627 131 Q 3.7904 9.0606 133.7690 56.7117 26.7502 174.4264 132 R 4.7828 7.3329 113.9610 54.2950 33.7501 176.8026 133 V 3.9356 8.4937 119.7694 64.4223 32.2367 175.5119 134 T 4.5017 8.6785 123.1733 61.8787 72.2422 172.4911 135 D 5.0347 8.4346 125.9261 53.3116 42.9962 175.2322 136 F 4.9247 9.2156 122.6505 55.1822 41.7128 174.6876 137 L 4.5202 9.0608 127.8398 55.5591 43.0911 175.8123 138 T 5.1072 9.2987 122.8255 61.8244 72.3655 173.2062 139 I 4.9466 8.2715 125.7208 60.2548 40.8195 174.0765 140 D 5.0131 8.4435 126.4462 52.9526 42.4663 176.4147 141 R 4.6700 8.2680 115.9857 56.5570 30.2755 178.2717 142 G 3.7385 8.5976 107.9866 45.0673 0.0000 173.6788 143 G 3.9430 8.5056 108.4447 45.3093 0.0000 173.6180 144 S 4.6937 8.3323 111.3901 58.0366 63.1506 174.3217 145 D 4.3933 8.0284 123.4946 55.8530 41.8291 176.1538 146 N 4.2481 8.4613 120.3887 53.6648 34.9616 173.5255 147 C 4.8407 7.4235 119.9112 58.2325 33.6764 173.0270 148 D 4.8469 8.5364 126.9211 53.2645 42.2432 175.6175 149 V 5.0585 8.4900 123.0054 61.2201 33.8714 174.4898 150 E 4.7431 9.2775 126.6500 54.3026 33.2560 175.5783 151 S 4.8066 8.8726 120.3310 58.8960 63.8576 173.4771 152 I 4.6448 8.8136 115.5482 57.9816 41.2893 172.8083 153 P 4.2066 0.0000 0.0000 63.1320 31.6579 175.9218 154 E 4.4455 8.7917 125.7085 56.7256 30.2551 175.7414 155 Q 4.6473 9.0144 123.4055 54.9954 32.8088 172.5895 156 E 5.0517 8.5388 121.2807 54.3608 31.9222 174.8996 157 L 4.4921 8.9733 127.9982 54.8331 42.6757 176.0239 158 C 4.7564 8.6483 123.3255 57.1112 34.5463 174.4982 159 F 4.9241 8.7995 126.2843 56.8374 39.4765 175.5976 160 A 4.2245 7.5975 128.3253 52.6902 18.0667 178.2241 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 2 K 8.31 4.40 0.00 1.62 1.78 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.38 7.81 3 L 8.65 4.23 0.00 1.84 1.43 0.80 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.66 4.36 0.00 1.87 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 5 V 8.15 4.00 1.28 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 0.60 0.00 0.00 0.04 0.00 0.00 6 L 8.20 4.90 0.00 1.56 1.55 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.72 0.00 1.96 2.00 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 8 L 8.52 4.03 0.00 1.50 1.34 -0.07 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.09 4.61 0.00 3.93 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.88 3.95 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 11 E 8.09 3.98 0.00 1.98 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 2.32 2.44 0.00 12 A 7.67 4.25 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 13 F 7.83 4.54 0.00 2.81 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 14 S 8.14 4.45 0.00 4.11 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.81 3.63 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 16 Y 8.99 4.57 0.00 2.04 2.70 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 17 G 5.82 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.25 5.05 0.00 2.59 2.68 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 19 V 8.44 4.25 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 0.75 0.00 0.00 0.72 0.00 0.00 20 I 8.37 4.37 1.86 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 1.28 0.55 0.90 0.00 0.00 21 E 8.28 4.92 0.00 1.97 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 22 T 7.88 3.90 2.69 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 0.54 0.00 0.00 23 Q 7.87 3.93 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.60 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 24 Q 8.82 3.64 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 25 R 7.94 4.61 0.00 2.13 1.97 0.00 3.34 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.88 0.00 26 D 8.49 4.62 0.00 2.46 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 F 7.90 4.95 0.00 2.21 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.67 5.02 0.00 2.99 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 29 H 9.00 5.09 0.00 3.09 3.34 0.00 5.66 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.91 4.44 1.93 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 1.16 0.57 0.94 0.00 0.00 31 N 8.89 3.88 0.00 2.95 2.81 0.00 0.00 7.22 6.71 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 32 N 9.12 4.14 0.00 2.84 2.82 0.00 0.00 7.19 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 33 G 8.15 4.07 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 0.00 34 L 7.75 4.16 0.00 1.89 1.77 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.94 4.54 2.12 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 0.79 0.00 0.00 0.97 0.00 0.00 36 E 8.79 4.86 0.00 1.64 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 2.04 2.17 0.00 37 R 9.07 4.26 0.00 1.96 2.02 0.00 3.18 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 38 Y 8.65 4.90 0.00 2.92 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 39 H 8.12 4.68 0.00 3.22 3.38 0.00 5.91 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.59 4.47 0.00 2.82 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 41 L 8.10 4.14 0.00 1.65 1.73 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.55 4.62 1.21 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 0.00 0.00 0.00 43 L 8.30 4.66 0.00 1.58 1.55 0.93 0.96 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 44 V 8.31 4.01 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 0.83 0.00 0.00 0.93 0.00 0.00 45 E 9.23 4.61 0.00 1.92 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 2.20 2.25 0.00 46 I 8.06 4.80 1.86 0.00 0.00 0.84 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 0.60 1.02 0.00 0.00 47 L 8.91 4.02 0.00 1.66 1.71 0.91 1.24 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 48 E 7.81 4.57 0.00 1.96 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 2.23 2.33 0.00 49 Q 8.84 4.03 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.03 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 50 D 8.07 4.69 0.00 2.82 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 51 R 8.31 4.55 0.00 1.95 1.90 0.00 3.11 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 52 T 8.05 4.77 4.24 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 1.20 0.00 0.00 53 L 8.64 4.82 0.00 1.75 1.53 0.97 0.77 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 54 I 8.32 5.04 1.88 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 1.40 0.54 0.97 0.00 0.00 55 S 9.12 4.80 0.00 3.85 3.95 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.01 4.95 0.00 1.84 1.63 0.94 0.35 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 65 P 0.00 4.51 0.00 2.29 2.20 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 66 L 8.51 4.69 0.00 1.87 1.70 0.71 0.07 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 67 T 8.55 5.20 4.24 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 1.21 0.00 0.00 68 I 8.94 4.77 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 1.36 0.68 0.73 0.00 0.00 69 H 8.49 4.92 0.00 3.14 3.47 0.00 5.66 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.76 5.14 0.00 2.00 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 1.97 2.21 0.00 71 L 8.89 5.12 0.00 1.63 1.83 0.92 0.83 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 72 E 9.53 5.52 0.00 1.85 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 2.20 1.93 0.00 73 R 8.52 4.67 0.00 0.81 0.66 0.00 2.21 0.00 0.00 3.06 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.10 0.00 74 H 8.45 4.60 0.00 3.09 3.22 0.00 5.82 0.00 0.00 0.00 0.00 6.56 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 4.20 0.00 1.99 2.04 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 76 L 7.74 4.40 0.00 1.70 1.68 0.92 0.84 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 77 G 7.28 4.42 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 0.00 78 T 8.60 4.51 4.32 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 1.38 0.00 0.00 79 Q 8.73 4.41 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 80 A 8.70 5.12 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 81 F 9.21 5.48 0.00 2.95 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 82 I 9.13 4.89 1.91 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 1.31 0.79 0.93 0.00 0.00 83 P 0.00 4.18 0.00 2.11 1.49 0.00 3.49 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.20 0.00 *85 K 8.42 3.96 0.00 2.05 1.87 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.33 7.81 86 G 8.47 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 87 E 7.72 4.21 0.00 1.86 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 2.32 2.33 0.00 88 V 8.53 4.01 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 1.02 0.00 0.00 89 F 9.00 5.14 0.00 3.23 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.11 4.61 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 1.07 0.00 0.00 0.43 0.00 0.00 91 V 8.88 4.78 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 0.64 0.00 0.00 0.98 0.00 0.00 92 V 8.59 4.97 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 1.09 0.00 0.00 1.02 0.00 0.00 93 V 9.04 5.36 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 1.22 0.00 0.00 0.34 0.00 0.00 94 A 9.24 5.17 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 95 L 9.20 4.86 0.00 1.71 1.73 0.72 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 96 G 9.02 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 0.00 0.00 0.00 0.00 97 D 8.28 4.54 0.00 2.76 2.69 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 98 D 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3.43 0.00 0.00 3.49 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.75 0.00 107 A 7.66 4.97 0.96 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 0.00 0.00 108 F 9.19 5.36 0.00 2.84 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 0.00 109 I 8.48 4.70 1.75 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.09 0.86 0.00 0.00 110 T 8.14 4.61 4.11 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 0.17 0.00 0.00 111 N 9.25 4.64 0.00 2.76 2.88 0.00 0.00 7.15 6.69 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 0.00 112 G 8.30 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 0.00 0.00 0.00 113 E 8.66 4.84 0.00 1.84 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 2.20 2.35 0.00 114 Q 8.15 4.80 0.00 1.76 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 115 G 9.06 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.81 4.86 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.78 0.00 0.00 117 N 9.14 5.20 0.00 2.71 2.65 0.00 0.00 7.36 7.13 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 0.00 118 Y 8.80 4.60 0.00 3.03 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 0.00 119 H 8.87 4.55 0.00 3.13 3.19 0.00 5.65 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.39 4.09 0.00 1.78 1.85 0.00 3.39 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 121 N 8.67 4.23 0.00 2.81 2.91 0.00 0.00 7.15 7.83 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 0.00 122 V 7.17 3.98 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 1.16 0.00 0.00 1.13 0.00 0.00 123 W 8.88 4.77 0.00 3.59 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 0.00 124 H 9.11 6.03 0.00 3.02 3.15 0.00 5.53 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 H 8.82 4.76 0.00 3.34 3.46 0.00 5.76 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.23 0.00 2.06 2.01 0.00 3.15 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.21 0.00 127 L 8.44 3.76 0.00 1.19 1.41 -1.12 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 128 F 7.96 5.19 0.00 3.09 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 0.00 129 A 8.88 4.77 1.56 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 0.00 0.00 130 W 8.70 5.03 0.00 3.41 3.25 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 0.00 131 Q 9.06 3.79 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.56 0.00 0.00 0.00 0.00 0.00 1.48 1.16 0.00 132 R 7.33 4.78 0.00 1.53 1.63 0.00 3.28 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 133 V 8.49 3.94 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 0.98 0.00 0.00 0.99 0.00 0.00 134 T 8.68 4.50 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 0.36 0.00 0.00 135 D 8.43 5.03 0.00 2.52 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.22 4.92 0.00 3.01 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 0.00 137 L 9.06 4.52 0.00 1.78 1.70 1.00 0.59 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 0.00 138 T 9.30 5.11 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 1.06 0.00 0.00 139 I 8.27 4.95 1.82 0.00 0.00 0.84 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 0.59 0.88 0.00 0.00 140 D 8.44 5.01 0.00 2.60 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.27 4.67 0.00 1.80 2.02 0.00 3.52 0.00 0.00 3.88 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 142 G 8.60 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 0.00 143 G 8.51 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 0.00 0.00 0.00 144 S 8.33 4.69 0.00 3.86 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 0.00 145 D 8.03 4.39 0.00 2.68 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 N 8.46 4.25 0.00 2.87 2.67 0.00 0.00 6.51 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 0.00 147 C 7.42 4.84 0.00 3.06 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 0.00 148 D 8.54 4.85 0.00 2.65 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 0.00 149 V 8.49 5.06 2.12 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 0.89 0.00 0.00 0.95 0.00 0.00 150 E 9.28 4.74 0.00 1.35 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 2.37 2.27 0.00 151 S 8.87 4.81 0.00 3.72 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 0.00 152 I 8.81 4.64 1.80 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 1.21 0.93 0.76 0.00 0.00 153 P 0.00 4.21 0.00 1.92 2.04 0.00 3.63 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 154 E 8.79 4.45 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 155 Q 9.01 4.65 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 156 E 8.54 5.05 0.00 2.05 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 2.31 2.41 0.00 157 L 8.97 4.49 0.00 1.57 1.10 1.05 0.74 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 0.00 158 C 8.65 4.76 0.00 2.89 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 0.00 159 F 8.80 4.92 0.00 3.16 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 0.00 160 A 7.60 4.22 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.