NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 L 4.3986 8.0276 120.7680 53.7666 44.0230 178.5423 32 P 4.1568 0.0000 0.0000 64.9650 31.6748 177.2375 33 A 4.5519 8.3000 122.6914 55.3789 19.5427 180.3743 *34 Y 4.2428 7.9591 113.1330 58.5405 37.1581 179.2529 35 E 4.6971 7.6474 115.8994 57.2735 30.5294 176.0372 36 E 4.2952 7.8315 119.3877 55.8749 30.5357 176.8519 37 A 5.2402 8.3925 127.0149 51.4145 19.5772 175.0007 38 E 5.0402 8.4573 121.6213 55.4460 32.6820 176.9668 39 I 4.2715 6.2412 122.8810 60.2984 37.9115 175.7513 40 T 4.4459 8.3815 116.1908 61.1663 70.1125 173.9575 41 K 4.4446 7.1593 121.2306 55.6508 35.6614 173.6609 42 V 4.4000 8.9897 126.6175 60.9780 33.8846 174.7183 43 G 3.8587 8.1951 113.7853 44.3456 0.0000 170.7872 44 A 5.0316 7.6544 119.3773 50.3683 22.8268 174.7214 45 Y 4.9767 9.2080 117.6935 56.3914 41.9525 174.1796 46 H 5.1773 9.1545 123.1987 54.8901 31.6575 173.7831 47 R 5.1913 8.5149 124.6386 54.7065 32.4112 175.5506 48 F 4.9283 8.3790 116.4970 55.2980 41.7133 173.3040 49 Y 4.3345 8.6611 119.3402 58.3920 38.2182 175.2855 50 S 4.9324 8.5520 118.1074 56.5467 64.7754 174.3340 51 G 3.8288 8.8309 112.2358 46.9482 0.0000 173.7565 52 D 4.7696 8.1920 120.6968 54.1405 42.3049 175.3157 53 K 5.0510 8.2189 118.0259 54.4512 36.6936 175.7223 54 D 4.4656 8.9244 122.4260 53.8982 41.3510 177.0538 55 A 4.1279 8.8745 129.7979 55.3731 18.7813 178.5240 56 I 3.9277 8.1947 116.4476 63.9498 37.3545 177.1454 57 T 4.1960 8.1286 108.4077 61.1346 69.9114 175.8003 58 G 3.8987 8.7687 108.8058 45.0237 0.0000 172.9379 59 E 4.2747 8.0298 121.1851 55.5215 30.8723 176.0233 60 N 5.0998 8.8080 122.3204 53.6112 39.7707 174.0733 61 I 4.5637 8.2476 113.6122 59.2303 41.2063 174.1902 62 V 4.4909 8.1259 122.4166 61.2338 32.9534 174.9531 63 A 4.5143 8.2374 129.9967 50.7734 21.0691 175.5401 64 E 5.1549 8.0750 115.8523 54.8757 32.9664 174.5700 65 K 4.6022 9.0221 120.8282 54.4103 35.4731 175.1179 66 E 3.7090 8.6281 126.3951 55.6893 30.1065 176.3286 67 L 4.2612 8.1746 127.2891 54.3923 42.7859 176.7636 68 D 4.7522 8.6581 122.0705 54.6123 41.9694 175.6859 69 R 5.3273 8.4190 117.0959 54.9274 32.9822 174.0792 70 T 4.7470 8.5831 109.8355 60.0234 72.2950 172.3825 71 N 5.3085 8.5900 119.0731 51.5402 42.5949 173.8206 72 N 4.7840 9.3703 120.5086 52.1565 41.8314 172.8802 73 I 4.8487 8.3875 127.4345 59.7558 39.3342 175.4941 74 D 4.6061 9.4021 129.2187 52.7325 40.8153 176.8324 75 S 4.2538 8.7105 121.3526 61.1501 62.9007 176.2827 76 E 3.8558 8.2280 118.4197 58.9872 29.2228 177.2213 77 H 4.5702 7.9034 112.4927 54.5471 30.0362 174.2818 78 G 2.1515 7.0803 107.4885 45.7541 0.0000 174.2646 79 V 4.9195 7.8418 118.0437 60.9086 34.8430 174.5956 80 A 5.2987 9.5633 131.2068 50.5301 21.1588 174.9658 81 T 5.1862 8.8547 112.6464 60.2620 72.1282 173.2797 82 A 4.8243 8.6630 124.3138 50.1442 23.2419 174.8998 83 V 4.4465 7.9876 120.6775 61.0458 34.0754 174.3918 84 F 5.6919 8.9422 127.1462 56.0684 41.7139 174.9088 85 T 5.0272 8.8787 111.6703 60.0031 72.6252 172.5242 86 I 4.6230 8.2118 123.2014 59.2681 38.1978 174.4350 87 P 4.3879 0.0000 0.0000 62.0328 31.9347 176.1324 88 A 4.1315 8.4384 122.9091 51.8621 18.9119 177.5099 89 A 4.1518 8.5667 122.5569 53.0037 19.2640 177.7325 90 G 4.2412 8.7913 109.7116 44.8308 0.0000 172.6790 91 G 3.7206 7.4296 102.4729 47.4543 0.0000 174.3572 92 K 4.5924 7.9157 120.3736 55.2325 33.6571 176.5843 93 F 4.7895 8.0824 122.7229 56.4586 39.8940 174.6167 94 T 4.4584 7.6136 118.7779 60.4913 71.3879 175.2346 95 E 3.7503 8.3884 120.4059 59.2378 29.1755 179.3922 96 A 3.8949 7.7194 119.8154 55.1610 18.7727 178.8317 97 E 3.8253 7.8249 117.7473 59.1824 29.7191 179.0744 98 R 3.7072 7.3946 118.0038 59.0723 29.8727 178.5520 99 A 4.1291 7.4882 118.8872 53.8365 18.4595 178.6589 100 K 4.3116 7.5965 115.3720 55.4977 32.9069 177.1653 101 V 3.6324 6.9832 120.1033 62.8599 32.1540 175.0999 102 S 4.7328 8.3641 120.0209 56.6743 65.5152 174.6796 103 L 4.3214 8.6967 126.3358 57.3815 41.9377 179.3191 104 S 4.4088 8.2109 113.4512 60.6836 63.2452 173.4039 105 N 5.4820 7.7824 118.6329 52.4806 39.8267 172.5840 106 L 4.9119 9.4091 124.2745 52.6555 46.8612 175.0691 107 V 4.7866 8.4815 125.1285 61.1488 32.6822 174.5437 108 V 4.6283 8.4308 128.6692 61.3733 33.4962 174.0061 109 Y 5.2129 8.5157 124.6846 55.3160 41.5462 174.5726 110 V 4.9737 7.6076 111.7220 58.5104 36.0114 174.5202 111 N 4.8756 8.3308 119.3600 52.0405 40.6278 174.6373 112 V 4.7643 7.9538 114.8780 58.8995 35.7468 175.4125 113 S 4.2857 8.4177 117.6307 58.8893 63.9965 174.8257 114 T 3.9341 8.3992 118.8451 65.3597 68.4824 174.6232 115 A 3.7386 8.8539 127.2129 52.1566 16.5920 177.5990 116 A 4.3716 7.8104 118.8512 51.7958 19.3668 177.5098 117 R 4.6924 8.3248 118.1404 54.2657 33.4288 174.7168 118 V 4.7196 8.3825 121.3512 61.6857 33.5083 174.8392 119 T 4.7273 8.9699 124.5373 61.0359 71.1123 171.8841 120 P 4.4664 0.0000 0.0000 62.5568 32.2621 175.9294 121 L 4.5647 8.2434 123.1387 53.2591 44.5365 177.0935 122 D 3.9957 8.6069 119.9782 56.1870 38.9774 174.8761 123 G 3.9794 8.4630 115.3441 46.4547 0.0000 173.4842 124 S 3.7231 7.5167 116.0222 57.2206 63.1883 172.9012 125 P 4.3863 0.0000 0.0000 62.0038 31.9645 176.3643 126 K 4.1893 8.1781 118.5937 56.1882 32.6642 177.3713 127 F 4.6820 8.2430 120.3342 58.8537 39.4579 176.3299 128 G 4.0905 9.4389 112.0285 45.4271 0.0000 173.6972 129 V 4.6423 7.3246 112.0625 58.4655 35.7207 173.2334 130 P 4.8079 0.0000 0.0000 62.9528 31.9190 175.4904 131 A 4.6253 9.0955 124.6701 50.7946 23.6539 174.6062 132 D 4.9661 8.4698 119.0064 52.7986 40.7044 175.6332 133 W 4.8757 9.5012 127.4601 56.7441 30.0576 178.6534 134 T 4.1521 8.6641 112.7312 63.8413 68.4067 174.0145 135 R 4.7641 7.1091 116.6362 53.5516 34.1512 174.4380 136 E 4.5315 8.5297 117.0689 57.2440 30.4404 175.8996 137 H 5.0477 9.3327 117.1287 54.0960 33.5433 172.4861 138 K 5.3329 8.4769 119.2906 55.0917 35.6749 174.9752 139 Y 5.0688 9.2704 119.9499 56.4673 43.0218 174.0125 140 S 5.2154 9.3887 117.8476 57.1392 64.5546 173.8429 141 V 5.0778 9.0838 127.9589 60.7228 34.5440 173.9147 *143 A 4.5091 8.2653 121.4983 51.4774 19.5731 177.8751 144 A 3.9436 8.7807 121.7534 55.1896 18.4893 178.4842 145 D 4.5799 8.2271 113.3722 53.5797 39.5988 177.4467 146 G 3.9541 8.2195 108.6604 45.4178 0.0000 173.8297 147 T 4.1785 8.0067 117.3527 63.3538 68.8055 174.2440 148 K 4.9069 8.6903 126.0378 54.7697 34.3922 175.8487 149 K 4.6268 9.2521 124.8924 54.6037 35.2688 175.1894 150 I 4.5647 8.3875 128.1289 61.0576 38.6051 174.7589 151 W 5.1828 9.6480 126.5369 55.2292 32.7878 174.3289 152 T 5.1453 9.2431 121.4190 61.9953 70.5630 173.5175 153 V 5.0576 9.5211 127.1127 61.2159 34.1882 174.2904 154 K 5.2213 9.2549 127.4099 54.7797 35.0250 175.7433 155 V 5.1359 8.8017 117.4479 59.7740 35.4213 174.7265 156 T 4.8548 8.5811 112.4148 59.9132 72.9444 172.2781 157 L 5.1210 8.4835 123.2647 53.4047 44.4262 175.0082 158 N 4.8893 9.0230 126.9015 52.2052 39.5920 175.0373 159 K 4.1612 8.3533 124.8547 57.3360 32.4813 175.7347 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 31 L 8.03 4.40 0.00 1.59 1.63 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.16 0.00 2.30 2.35 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 33 A 8.30 4.55 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 *34 Y 7.96 4.24 0.00 2.29 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 0.00 0.00 0.00 0.00 35 E 7.65 4.70 0.00 2.10 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 2.52 2.41 0.00 36 E 7.83 4.30 0.00 2.10 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 2.35 2.48 0.00 37 A 8.39 5.24 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 38 E 8.46 5.04 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 39 I 6.24 4.27 0.56 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 -0.36 0.42 0.00 0.00 40 T 8.38 4.45 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 41 K 7.16 4.44 0.00 1.72 1.51 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.18 1.29 7.81 42 V 8.99 4.40 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 0.65 0.00 0.00 0.73 0.00 0.00 43 G 8.20 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 0.00 0.00 0.00 44 A 7.65 5.03 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 45 Y 9.21 4.98 0.00 2.79 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 46 H 9.15 5.18 0.00 3.31 3.26 0.00 5.75 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.51 5.19 0.00 1.61 1.58 0.00 3.15 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.54 0.00 48 F 8.38 4.93 0.00 3.05 3.18 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 49 Y 8.66 4.33 0.00 3.02 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 50 S 8.55 4.93 0.00 3.83 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 51 G 8.83 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.19 4.77 0.00 2.62 2.61 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 53 K 8.22 5.05 0.00 1.58 1.76 0.00 1.98 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.35 7.81 54 D 8.92 4.47 0.00 2.71 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 55 A 8.87 4.13 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 56 I 8.19 3.93 2.00 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 1.34 0.84 0.90 0.00 0.00 57 T 8.13 4.20 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 1.20 0.00 0.00 58 G 8.77 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 59 E 8.03 4.27 0.00 2.08 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 2.30 0.00 60 N 8.81 5.10 0.00 2.69 2.80 0.00 0.00 6.78 7.45 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 61 I 8.25 4.56 1.80 0.00 0.00 0.76 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 0.77 0.88 0.00 0.00 62 V 8.13 4.49 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.63 0.00 0.00 63 A 8.24 4.51 0.54 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 0.00 0.00 64 E 8.07 5.15 0.00 2.04 1.68 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 1.92 2.20 0.00 65 K 9.02 4.60 0.00 1.29 1.17 0.00 1.50 0.00 0.00 1.48 0.00 0.00 2.28 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.27 0.28 7.81 66 E 8.63 3.71 0.00 1.16 1.54 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 1.98 1.94 0.00 67 L 8.17 4.26 0.00 1.25 1.70 0.77 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.66 4.75 0.00 2.79 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.42 5.33 0.00 1.77 2.02 0.00 2.95 0.00 0.00 3.46 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 70 T 8.58 4.75 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 71 N 8.59 5.31 0.00 2.50 2.63 0.00 0.00 6.64 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 9.37 4.78 0.00 2.64 2.63 0.00 0.00 7.06 7.84 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 73 I 8.39 4.85 1.92 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.74 1.18 0.00 0.00 74 D 9.40 4.61 0.00 2.71 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 75 S 8.71 4.25 0.00 4.07 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.23 3.86 0.00 1.76 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 2.26 2.21 0.00 77 H 7.90 4.57 0.00 3.17 3.22 0.00 5.81 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 78 G 7.08 2.15 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 0.00 79 V 7.84 4.92 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 0.89 0.00 0.00 0.97 0.00 0.00 80 A 9.56 5.30 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 81 T 8.85 5.19 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 1.26 0.00 0.00 82 A 8.66 4.82 0.52 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 83 V 7.99 4.45 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.83 0.00 0.00 84 F 8.94 5.69 0.00 2.97 2.78 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 0.00 0.00 0.00 0.00 85 T 8.88 5.03 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 1.30 0.00 0.00 86 I 8.21 4.62 1.93 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 1.40 0.64 1.09 0.00 0.00 87 P 0.00 4.39 0.00 2.08 2.00 0.00 3.73 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 2.01 2.06 0.00 88 A 8.44 4.13 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 89 A 8.57 4.15 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 90 G 8.79 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 0.00 0.00 0.00 0.00 91 G 7.43 3.72 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 0.00 0.00 0.00 92 K 7.92 4.59 0.00 1.84 1.94 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.44 7.81 93 F 8.08 4.79 0.00 3.08 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 T 7.61 4.46 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 95 E 8.39 3.75 0.00 1.90 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 96 A 7.72 3.89 1.22 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 0.00 0.00 97 E 7.82 3.83 0.00 1.72 1.38 0.00 0.00 0.00 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 2.05 0.00 98 R 7.39 3.71 0.00 1.83 1.84 0.00 3.10 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.11 0.00 99 A 7.49 4.13 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 0.00 100 K 7.60 4.31 0.00 2.02 1.93 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.57 7.81 101 V 6.98 3.63 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 0.74 0.00 0.00 0.90 0.00 0.00 102 S 8.36 4.73 0.00 3.89 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 0.00 103 L 8.70 4.32 0.00 1.87 1.89 1.11 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.21 4.41 0.00 4.08 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 0.00 105 N 7.78 5.48 0.00 2.78 2.81 0.00 0.00 6.85 8.33 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 0.00 106 L 9.41 4.91 0.00 2.05 1.61 0.93 0.69 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 0.00 107 V 8.48 4.79 2.33 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 1.01 0.00 0.00 0.99 0.00 0.00 108 V 8.43 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 0.62 0.00 0.00 -0.33 0.00 0.00 109 Y 8.52 5.21 0.00 2.93 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 0.00 110 V 7.61 4.97 1.57 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 -0.01 0.00 0.00 -0.12 0.00 0.00 111 N 8.33 4.88 0.00 2.55 2.65 0.00 0.00 6.64 7.68 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 0.00 112 V 7.95 4.76 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 0.51 0.00 0.00 0.88 0.00 0.00 113 S 8.42 4.29 0.00 3.92 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 0.00 114 T 8.40 3.93 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 0.00 115 A 8.85 3.74 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 0.00 116 A 7.81 4.37 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 0.00 117 R 8.32 4.69 0.00 1.88 1.84 0.00 3.10 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 118 V 8.38 4.72 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 1.14 0.00 0.00 1.00 0.00 0.00 119 T 8.97 4.73 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 1.25 0.00 0.00 120 P 0.00 4.47 0.00 1.85 1.90 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.28 0.00 121 L 8.24 4.56 0.00 1.54 1.47 0.97 1.02 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 0.00 122 D 8.61 4.00 0.00 2.71 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.46 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 0.00 0.00 0.00 124 S 7.52 3.72 0.00 3.29 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 0.00 125 P 0.00 4.39 0.00 2.13 1.84 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.11 0.00 126 K 8.18 4.19 0.00 1.81 1.85 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.47 7.81 127 F 8.24 4.68 0.00 3.13 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 0.00 128 G 9.44 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 7.32 4.64 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 0.99 0.00 0.00 1.04 0.00 0.00 130 P 0.00 4.81 0.00 2.02 2.10 0.00 3.72 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 2.04 2.09 0.00 131 A 9.10 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 0.00 132 D 8.47 4.97 0.00 2.69 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 0.00 133 W 9.50 4.88 0.00 3.54 3.34 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 0.00 134 T 8.66 4.15 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 1.34 0.00 0.00 135 R 7.11 4.76 0.00 1.68 1.78 0.00 3.15 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 136 E 8.53 4.53 0.00 2.07 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 2.27 2.35 0.00 137 H 9.33 5.05 0.00 3.05 2.85 0.00 5.55 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.48 5.33 0.00 1.60 1.67 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.38 7.81 139 Y 9.27 5.07 0.00 3.23 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 0.00 140 S 9.39 5.22 0.00 3.93 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 0.00 141 V 9.08 5.08 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 1.24 0.00 0.00 1.05 0.00 0.00 *143 A 8.27 4.51 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 0.00 144 A 8.78 3.94 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 0.00 145 D 8.23 4.58 0.00 2.81 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 0.00 146 G 8.22 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 0.00 147 T 8.01 4.18 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 148 K 8.69 4.91 0.00 1.67 1.78 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.61 7.81 149 K 9.25 4.63 0.00 1.83 1.97 0.00 1.65 0.00 0.00 2.03 0.00 0.00 2.13 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.88 1.22 7.81 150 I 8.39 4.56 1.84 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 1.35 1.25 0.95 0.00 0.00 151 W 9.65 5.18 0.00 3.42 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 T 9.24 5.15 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 1.35 0.00 0.00 153 V 9.52 5.06 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 1.18 0.00 0.00 1.27 0.00 0.00 154 K 9.25 5.22 0.00 1.78 1.74 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.49 7.81 155 V 8.80 5.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.17 0.00 0.00 156 T 8.58 4.85 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 1.24 0.00 0.00 157 L 8.48 5.12 0.00 1.73 1.64 1.10 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 158 N 9.02 4.89 0.00 2.77 2.74 0.00 0.00 7.05 6.31 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 0.00 159 K 8.35 4.16 0.00 1.87 1.72 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.46 7.81 * Residues marked with a * may have inaccurate shift predictions.