NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.6875 8.4545 109.7285 45.2584 0.0000 174.9715 *2 E 4.0287 8.5351 113.2369 55.6170 32.0429 176.7970 3 Y 4.6851 7.4628 116.9334 55.9813 40.9159 173.5794 4 Q 4.4223 8.4363 119.9500 54.0065 30.9226 175.0881 5 L 4.6935 8.2868 125.7953 54.5410 43.1350 175.6871 6 Q 4.7470 9.1144 124.4231 54.1497 33.3456 173.7370 7 Q 5.3080 8.9242 122.7075 54.4272 31.6200 174.3511 8 L 5.0002 9.0614 125.6417 52.7964 44.5794 176.4128 9 A 4.6325 8.6337 125.1550 51.1364 19.8227 176.6971 10 S 4.4013 8.6463 113.7084 59.2441 62.9221 173.4977 11 L 4.8838 8.8512 125.4274 53.2548 46.1220 175.5034 12 T 4.8461 8.3215 118.0984 62.2221 70.5235 173.4098 13 L 4.8584 8.9582 127.6967 53.1028 43.9903 175.7823 14 V 4.6201 8.6820 123.9751 60.6794 33.8855 174.4861 15 G 4.2472 7.9530 116.2733 46.2780 0.0000 171.4918 16 I 5.1132 8.6709 123.8849 59.3834 40.4021 175.1149 17 K 4.8930 9.8230 128.4138 54.6282 34.4496 174.9530 18 E 4.5302 8.9967 126.1094 54.6086 33.1849 175.0805 19 T 4.4160 7.8124 118.1280 61.7812 70.2719 173.3613 20 Y 4.8547 7.7541 122.6421 55.6999 40.9513 176.3363 21 E 4.1114 8.8090 123.2430 59.3324 30.1008 176.1222 22 N 5.5024 7.1958 113.2743 51.3654 41.6389 175.3533 23 G 3.7533 8.7128 106.7917 48.0755 0.0000 175.7051 24 R 3.8904 8.0013 120.3657 59.4025 30.0270 178.5171 25 Q 4.1289 8.8155 116.7711 58.7109 28.9644 178.3190 26 A 3.2595 8.1384 121.8745 55.1581 18.2800 179.6697 27 Q 3.9498 8.0191 115.3281 59.2700 28.8500 178.9636 28 Q 4.0806 8.0723 117.6147 58.0678 28.9955 177.1383 29 H 4.6015 7.7064 116.1784 56.2716 29.8500 176.9373 30 I 3.5862 7.4574 121.4565 64.2940 36.8953 177.8998 31 A 4.2064 8.0883 121.2197 55.2330 18.2193 179.7845 32 G 3.5911 8.0952 103.7949 47.7168 0.0000 175.5859 33 F 4.5251 8.4888 123.0917 61.0935 39.3852 177.1947 34 W 3.9545 8.5257 118.8096 59.7888 28.7937 178.2228 35 Q 4.0999 8.4599 119.5486 59.3002 28.4288 178.6282 36 R 3.9672 8.5454 119.3914 59.6757 30.2118 178.8954 37 C 4.0715 8.2822 116.7242 62.7744 28.0762 175.6142 38 Y 4.2037 8.4156 121.7019 60.9021 38.3313 178.0586 39 Q 3.8598 8.2763 117.6211 58.9325 28.8859 177.4036 40 E 4.2289 8.2745 118.6095 56.7173 29.8823 177.5546 41 G 3.8788 7.7834 107.9858 45.7224 0.0000 175.7137 42 V 3.6010 7.9728 120.9200 65.8966 31.5918 178.2821 43 I 3.7450 7.7773 118.8630 64.2458 36.8235 177.9729 44 A 4.0376 7.9667 119.9371 55.4496 18.5718 178.9455 45 D 4.4908 8.4671 117.6163 57.6013 40.9408 179.0768 46 L 3.9484 8.5541 119.7619 57.5674 41.6611 179.2679 47 Q 4.0182 7.9476 117.8973 59.3543 28.5099 179.2895 48 L 4.2102 7.6282 117.3139 56.7695 41.8337 178.7779 49 K 4.2778 7.6553 117.0775 56.3469 32.2989 176.3954 50 N 4.5332 7.1692 117.7783 53.6049 38.7457 174.0714 51 N 4.5161 9.0649 123.5946 52.9423 37.6751 176.2869 52 G 3.9618 8.8719 107.9353 45.6733 0.0000 174.4521 53 D 4.4870 8.5841 120.0673 56.5415 40.9802 177.0798 54 L 4.5996 7.7211 117.1130 52.8628 44.7534 177.5084 55 A 4.3565 8.4259 129.2866 49.3827 17.5419 174.9969 56 G 4.0793 6.9095 107.1009 46.1044 0.0000 171.7377 57 I 4.5943 8.1512 120.6373 60.0608 39.1338 175.4736 58 L 5.0954 9.1745 127.1292 53.4567 44.0263 176.0798 59 G 4.6822 9.4760 110.4104 43.9075 0.0000 171.3936 60 L 5.0986 7.6357 126.8251 52.6544 44.3727 175.4555 61 C 4.7356 8.7361 122.2059 58.6245 29.7741 172.8067 62 I 4.5377 8.6738 125.5135 58.5783 38.2840 173.5979 63 P 4.4162 0.0000 0.0000 62.6946 31.1643 176.8562 64 E 4.2400 9.1136 121.5366 56.1280 29.8564 177.4919 65 L 3.8738 8.1933 117.4961 55.4439 38.9138 174.2351 66 D 4.7618 7.8699 115.4568 53.0246 40.6331 175.3458 67 G 4.1225 8.5231 110.0983 46.2118 0.0000 174.9028 68 K 4.9713 8.0357 118.1227 55.3763 33.8259 175.8004 *70 S 4.5806 8.2704 114.1192 59.6763 64.6428 172.2321 71 Y 5.7115 8.4282 122.0795 54.9804 43.3070 173.6223 *73 I 3.9421 8.1187 119.4602 61.0951 38.7121 175.1786 74 A 4.9819 8.4659 127.1379 51.2348 23.4280 174.7993 75 V 4.7234 8.5469 111.9653 59.2449 36.4514 175.6930 76 T 4.2429 8.2621 113.0464 62.0310 69.3620 172.5199 77 G 4.0970 8.7168 116.7481 45.2569 0.0000 169.6069 78 D 4.7802 8.2608 120.2872 52.2846 42.4202 175.3723 79 N 4.6939 8.5908 114.7744 54.3252 38.4614 176.4321 80 S 4.2583 8.3012 113.2505 59.6931 63.6584 174.8027 81 A 3.9842 7.4213 124.3142 51.9258 18.7404 176.6863 82 D 4.4894 8.8478 121.5374 54.0565 40.9846 176.9130 83 I 3.9980 8.3773 120.2578 62.3306 37.9602 176.5806 84 A 4.2622 8.3386 123.7319 53.1453 19.0984 177.9234 85 K 4.1170 7.8029 115.3978 56.8781 33.4533 175.6395 86 Y 4.9618 7.5495 114.4781 55.8811 41.2382 175.5529 87 D 4.6498 9.2357 123.0020 54.1666 42.4144 175.6205 88 V 4.9677 8.4129 122.5785 61.1187 34.0279 174.3866 89 I 4.7349 8.6241 120.6381 59.4010 41.4997 174.1869 90 T 4.8067 8.3642 119.5777 62.2221 70.0306 174.2386 91 L 4.4631 9.0168 129.7755 53.3718 42.8426 175.5864 92 A 4.4703 8.5956 128.6423 51.7351 19.1685 176.7594 93 S 4.4853 8.5851 115.1904 58.8441 62.9750 173.4186 94 S 4.6437 8.5934 118.6533 57.3244 65.8277 173.3805 95 K 4.9377 8.4423 122.9361 55.8779 33.6844 175.0754 96 Y 4.4759 9.1360 122.9548 57.2027 42.6040 176.0269 *98 V 3.8316 8.3864 125.8869 63.7727 32.8459 174.5734 99 F 5.0924 9.1322 126.4641 55.7346 42.3694 174.2216 100 E 5.1707 8.7802 119.4324 54.5961 32.0955 175.1835 101 A 4.6837 9.0602 126.4792 50.2477 21.4363 175.1295 102 Q 4.7928 10.0659 124.3279 54.7933 30.8185 175.3338 103 G 4.2113 8.6809 113.5404 42.2187 0.0000 172.1151 104 A 4.2406 8.2341 122.9890 52.1380 18.8749 176.8206 105 V 4.3481 8.5106 122.6887 61.4523 32.6798 174.8886 106 P 4.5853 0.0000 0.0000 63.1505 31.7549 177.5393 107 K 3.9056 8.0862 120.0902 60.0492 31.9386 178.0124 108 A 3.9935 8.3455 121.0011 55.1110 18.0288 179.8377 109 V 3.5992 7.7056 115.5613 66.0837 31.8331 177.7255 110 Q 4.2202 8.3032 117.2659 59.2443 28.8985 178.7621 111 Q 4.2017 8.3392 119.0856 58.5751 28.8029 179.7670 112 K 4.4385 8.0908 121.5431 55.9675 32.1554 178.2258 *114 E 4.3075 8.1967 119.7562 55.8199 31.4460 177.3906 115 E 3.9880 8.1022 118.2421 59.3757 29.3685 179.5704 116 V 3.2460 8.1896 118.5686 66.1230 31.4231 177.8026 117 H 4.1295 7.9627 115.4773 59.0834 28.7070 177.0491 118 H 4.1882 8.5519 120.2725 59.3929 29.6971 176.6015 119 Y 4.2779 8.4090 121.6161 60.8780 38.5897 178.1174 120 I 3.4407 8.1426 121.0577 64.6851 37.0059 177.8387 121 H 4.0727 8.2593 117.9317 58.9978 29.6404 176.5036 122 Q 3.9891 7.5819 117.8336 57.1900 29.3266 176.6191 123 Y 4.6192 7.9019 114.5449 57.4162 39.8585 175.9705 124 Q 4.5408 8.0697 119.5785 55.1863 30.3246 177.3916 125 A 3.9191 8.3497 123.2229 54.9372 18.4678 179.0960 126 N 4.8622 8.0233 109.7938 53.2686 39.2835 175.1325 127 T 4.6606 7.3864 109.2691 61.8285 71.7330 174.7489 128 V 4.1532 7.8091 121.7501 61.7327 32.0664 176.0576 129 K 4.5777 8.6351 122.1345 54.6872 34.8331 176.8164 130 S 4.5229 8.5373 117.5247 58.8835 62.6471 174.4591 131 A 4.4978 7.4078 124.9569 50.4463 19.4318 176.0981 132 P 4.9315 0.0000 0.0000 62.9787 32.0744 176.4890 133 F 5.6587 8.8844 117.8954 55.4608 41.5767 173.7007 134 F 5.4949 8.9802 113.9893 56.0738 41.7941 172.5376 135 E 5.2460 9.5442 119.4008 54.7338 32.2095 174.8891 136 L 5.1972 8.9224 125.3701 53.5254 45.4141 174.5717 137 Y 5.0824 9.0481 124.0985 55.4829 40.0680 175.5791 138 Q 4.8466 8.8372 123.3483 55.0201 30.1001 175.8994 139 D 4.5650 8.8070 120.2835 53.7788 42.0970 177.0819 140 G 3.8703 7.8469 110.0741 45.6883 0.0000 171.6163 141 D 4.5397 8.1005 121.0253 52.9384 40.3172 177.7081 142 T 3.0479 7.8352 116.3700 62.5651 69.0393 176.0791 143 T 4.2317 7.7786 111.9056 62.2469 69.8980 175.0284 144 S 4.4369 7.8470 118.4152 57.7090 62.7609 174.6278 145 E 4.1914 8.8093 125.2093 58.4394 29.3935 177.9896 146 K 4.5906 8.0614 116.9962 56.0372 33.3882 176.1048 147 Y 4.2006 8.0437 123.2411 57.7124 39.9398 174.4017 148 I 4.4961 7.3055 126.5703 59.8066 39.4195 174.8956 149 T 4.5050 8.7323 123.7098 61.7394 71.3487 173.2331 150 E 4.9767 8.7358 125.1523 55.2775 32.0492 175.1511 151 I 4.9845 8.9276 124.2772 59.6268 40.2088 175.2535 152 W 4.7707 9.3003 127.4117 54.0845 32.5184 173.0434 *154 P 4.2406 0.0000 0.0000 62.9840 32.1017 176.0378 155 V 4.9650 8.2167 114.6740 59.3657 35.6356 175.6415 156 K 4.0873 9.1028 123.0123 56.8518 33.0446 177.7314 157 G 4.0134 8.7055 109.7976 45.9885 0.0000 173.7205 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 0 G 8.45 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 *2 E 8.54 4.03 0.00 2.03 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 2.13 1.88 0.00 3 Y 7.46 4.69 0.00 1.83 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 0.00 0.00 0.00 4 Q 8.44 4.42 0.00 1.64 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.80 0.00 0.00 0.00 0.00 0.00 2.10 2.25 0.00 5 L 8.29 4.69 0.00 1.69 1.55 1.10 0.72 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 6 Q 9.11 4.75 0.00 1.77 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.02 1.90 0.00 7 Q 8.92 5.31 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 8 L 9.06 5.00 0.00 1.93 1.63 0.56 0.62 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 9 A 8.63 4.63 1.26 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 0.00 0.00 10 S 8.65 4.40 0.00 3.91 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 11 L 8.85 4.88 0.00 1.52 1.38 0.77 0.36 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 12 T 8.32 4.85 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 1.16 0.00 0.00 13 L 8.96 4.86 0.00 1.44 1.43 0.73 0.36 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 14 V 8.68 4.62 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 0.54 0.00 0.00 0.80 0.00 0.00 15 G 7.95 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.67 5.11 1.97 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 1.20 1.04 1.15 0.00 0.00 17 K 9.82 4.89 0.00 1.65 1.62 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.43 7.81 18 E 9.00 4.53 0.00 1.16 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 1.84 1.47 0.00 19 T 7.81 4.42 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 1.12 0.00 0.00 20 Y 7.75 4.85 0.00 2.99 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 21 E 8.81 4.11 0.00 2.07 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 0.00 2.40 2.40 0.00 22 N 7.20 5.50 0.00 3.01 2.91 0.00 0.00 6.57 6.80 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 23 G 8.71 3.75 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 0.00 24 R 8.00 3.89 0.00 1.90 2.10 0.00 3.19 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.72 0.00 25 Q 8.82 4.13 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 26 A 8.14 3.26 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 27 Q 8.02 3.95 0.00 2.41 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 28 Q 8.07 4.08 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 29 H 7.71 4.60 0.00 2.35 2.96 0.00 5.82 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.46 3.59 1.74 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 0.66 0.55 0.55 0.00 0.00 31 A 8.09 4.21 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 32 G 8.10 3.59 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 0.00 0.00 0.00 33 F 8.49 4.53 0.00 3.17 3.26 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 34 W 8.53 3.95 0.00 3.56 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 35 Q 8.46 4.10 0.00 2.24 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 36 R 8.55 3.97 0.00 2.13 2.19 0.00 3.29 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 37 C 8.28 4.07 0.00 2.69 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 38 Y 8.42 4.20 0.00 3.18 3.22 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 0.00 0.00 0.00 0.00 39 Q 8.28 3.86 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.73 0.00 0.00 0.00 0.00 0.00 2.68 2.41 0.00 40 E 8.27 4.23 0.00 2.01 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 2.34 2.45 0.00 41 G 7.78 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 0.00 0.00 0.00 42 V 7.97 3.60 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.93 0.00 0.00 43 I 7.78 3.74 2.07 0.00 0.00 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 1.66 0.91 1.13 0.00 0.00 44 A 7.97 4.04 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 45 D 8.47 4.49 0.00 2.98 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 46 L 8.55 3.95 0.00 1.79 1.67 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 7.95 4.02 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.65 2.61 0.00 48 L 7.63 4.21 0.00 1.75 1.72 0.93 1.13 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 49 K 7.66 4.28 0.00 1.65 1.61 0.00 1.53 0.00 0.00 1.54 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 0.98 7.81 50 N 7.17 4.53 0.00 2.74 2.72 0.00 0.00 7.18 7.67 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 51 N 9.06 4.52 0.00 2.80 2.86 0.00 0.00 7.15 6.75 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 52 G 8.87 3.96 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 0.00 53 D 8.58 4.49 0.00 2.63 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 54 L 7.72 4.60 0.00 1.40 1.37 0.32 0.31 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 55 A 8.43 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 56 G 6.91 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 57 I 8.15 4.59 2.18 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 1.36 1.17 1.22 0.00 0.00 58 L 9.17 5.10 0.00 1.55 1.37 0.74 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 59 G 9.48 4.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.64 5.10 0.00 1.38 1.43 0.68 0.75 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 61 C 8.74 4.74 0.00 1.23 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 62 I 8.67 4.54 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.53 0.97 0.00 0.00 63 P 0.00 4.42 0.00 2.27 2.11 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 64 E 9.11 4.24 0.00 2.26 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 2.44 2.41 0.00 65 L 8.19 3.87 0.00 1.83 1.82 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.87 4.76 0.00 2.90 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 67 G 8.52 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 0.00 0.00 0.00 68 K 8.04 4.97 0.00 1.97 1.91 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.67 1.47 7.81 *70 S 8.27 4.58 0.00 3.89 3.81 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 71 Y 8.43 5.71 0.00 3.28 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.12 3.94 1.32 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 -0.17 -0.11 0.41 0.00 0.00 74 A 8.47 4.98 1.09 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 0.00 0.00 75 V 8.55 4.72 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 0.68 0.00 0.00 0.87 0.00 0.00 76 T 8.26 4.24 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 77 G 8.72 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 D 8.26 4.78 0.00 2.82 2.72 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 0.00 0.00 0.00 79 N 8.59 4.69 0.00 2.71 2.89 0.00 0.00 6.85 7.57 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 80 S 8.30 4.26 0.00 3.98 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 81 A 7.42 3.98 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 82 D 8.85 4.49 0.00 2.77 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 83 I 8.38 4.00 1.89 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 1.36 0.72 0.99 0.00 0.00 84 A 8.34 4.26 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 85 K 7.80 4.12 0.00 1.49 1.57 0.00 1.52 0.00 0.00 1.42 0.00 0.00 2.69 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 1.00 7.81 86 Y 7.55 4.96 0.00 2.88 2.74 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 87 D 9.24 4.65 0.00 2.70 2.58 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 88 V 8.41 4.97 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.01 0.00 0.00 89 I 8.62 4.73 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.78 0.88 0.00 0.00 90 T 8.36 4.81 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 1.26 0.00 0.00 91 L 9.02 4.46 0.00 1.65 1.53 1.02 0.82 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 92 A 8.60 4.47 1.26 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 0.00 0.00 93 S 8.59 4.49 0.00 3.94 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 94 S 8.59 4.64 0.00 3.83 3.28 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 95 K 8.44 4.94 0.00 1.75 1.74 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.51 7.81 96 Y 9.14 4.48 0.00 2.90 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 *98 V 8.39 3.83 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 -0.42 0.00 0.00 99 F 9.13 5.09 0.00 2.94 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 0.00 100 E 8.78 5.17 0.00 1.78 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 2.13 2.19 0.00 101 A 9.06 4.68 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 0.00 102 Q 10.07 4.79 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.13 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 103 G 8.68 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 0.00 0.00 0.00 0.00 104 A 8.23 4.24 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 0.00 105 V 8.51 4.35 1.86 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 0.56 0.00 0.00 1.08 0.00 0.00 106 P 0.00 4.59 0.00 2.25 2.12 0.00 3.70 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 107 K 8.09 3.91 0.00 1.83 1.87 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.54 7.81 108 A 8.35 3.99 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.71 3.60 2.31 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 1.07 0.00 0.00 1.10 0.00 0.00 110 Q 8.30 4.22 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.73 0.00 0.00 0.00 0.00 0.00 2.44 2.59 0.00 111 Q 8.34 4.20 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.13 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 112 K 8.09 4.44 0.00 1.94 1.77 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.17 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.29 7.81 *114 E 8.20 4.31 0.00 2.06 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 0.00 2.29 2.29 0.00 115 E 8.10 3.99 0.00 2.22 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 2.41 0.00 116 V 8.19 3.25 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 0.41 0.00 0.00 0.23 0.00 0.00 117 H 7.96 4.13 0.00 3.33 3.25 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 H 8.55 4.19 0.00 3.33 3.56 0.00 5.79 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 0.00 119 Y 8.41 4.28 0.00 3.11 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 0.00 120 I 8.14 3.44 1.97 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 1.40 0.68 0.85 0.00 0.00 121 H 8.26 4.07 0.00 3.14 3.53 0.00 5.93 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 7.58 3.99 0.00 1.74 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.49 0.00 0.00 0.00 0.00 0.00 2.12 2.32 0.00 123 Y 7.90 4.62 0.00 2.13 2.72 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 0.00 0.00 0.00 124 Q 8.07 4.54 0.00 1.85 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.78 0.00 0.00 0.00 0.00 0.00 1.86 2.33 0.00 125 A 8.35 3.92 1.19 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 0.00 0.00 0.00 126 N 8.02 4.86 0.00 2.69 2.82 0.00 0.00 6.68 7.54 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 0.00 127 T 7.39 4.66 4.23 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 1.21 0.00 0.00 128 V 7.81 4.15 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 0.68 0.00 0.00 0.94 0.00 0.00 129 K 8.64 4.58 0.00 1.73 1.74 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.36 1.42 7.81 130 S 8.54 4.52 0.00 3.90 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 0.00 131 A 7.41 4.50 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 0.00 132 P 0.00 4.93 0.00 2.11 2.06 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 133 F 8.88 5.66 0.00 3.33 3.19 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 0.00 134 F 8.98 5.49 0.00 3.13 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 0.00 135 E 9.54 5.25 0.00 2.28 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 2.38 2.48 0.00 136 L 8.92 5.20 0.00 1.93 1.66 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 9.05 5.08 0.00 3.17 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 Q 8.84 4.85 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.99 0.00 0.00 0.00 0.00 0.00 2.68 2.40 0.00 139 D 8.81 4.57 0.00 2.69 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 0.00 140 G 7.85 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 0.00 0.00 0.00 141 D 8.10 4.54 0.00 2.77 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 0.00 142 T 7.84 3.05 3.71 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 0.54 0.00 0.00 143 T 7.78 4.23 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 1.12 0.00 0.00 144 S 7.85 4.44 0.00 4.09 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 0.00 145 E 8.81 4.19 0.00 2.18 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 2.40 1.90 0.00 146 K 8.06 4.59 0.00 1.64 1.83 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.51 7.81 147 Y 8.04 4.20 0.00 3.33 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 0.00 148 I 7.31 4.50 1.61 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 1.36 0.92 0.79 0.00 0.00 149 T 8.73 4.50 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 0.82 0.00 0.00 150 E 8.74 4.98 0.00 2.22 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 2.26 2.32 0.00 151 I 8.93 4.98 1.98 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 1.32 0.81 0.99 0.00 0.00 152 W 9.30 4.77 0.00 1.78 2.26 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 *154 P 0.00 4.24 0.00 2.04 2.03 0.00 3.80 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 155 V 8.22 4.97 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 0.65 0.00 0.00 0.92 0.00 0.00 156 K 9.10 4.09 0.00 1.59 1.73 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.57 7.81 157 G 8.71 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 * Residues marked with a * may have inaccurate shift predictions.