NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.8175 8.1833 122.8456 57.1388 41.1280 174.8223 3 C 4.3254 8.2837 114.7663 59.8344 25.7574 171.9199 4 E 3.9774 8.0520 123.6699 59.1099 30.4203 177.7393 5 K 4.0065 8.1640 118.6053 59.4028 32.5602 178.9078 6 A 3.9820 7.4520 120.3899 52.2164 17.0210 178.3331 *8 E 4.2777 8.2209 120.1545 57.1696 30.2451 177.0108 9 L 4.0877 7.8542 119.9096 58.0687 42.5462 178.0702 10 I 4.0241 7.6253 111.6835 63.1800 37.7267 178.0962 11 R 4.0345 7.9051 120.2639 59.0211 29.9835 177.8437 12 E 3.9525 7.7972 117.1839 58.6072 29.6337 177.8929 13 L 4.4520 7.3130 117.6454 56.3661 42.4726 177.9635 14 H 4.2720 8.0284 117.6050 58.4600 30.0157 175.7531 15 R 4.2313 8.1820 117.1197 55.8296 29.7153 176.3982 16 A 4.5352 7.2788 122.9627 50.3892 19.2325 177.2942 17 P 3.2332 0.0000 0.0000 64.3931 32.1548 177.7570 18 E 4.1030 8.9650 122.1125 57.5285 30.9341 179.3029 19 G 4.2926 7.3840 107.2952 44.2416 0.0000 173.3749 20 Q 4.0490 8.4480 118.2842 55.6179 29.2614 176.2482 21 L 4.4856 8.1502 121.9406 52.5595 42.6610 174.5011 22 P 4.5274 0.0000 0.0000 61.5592 32.3587 176.0090 23 A 4.1386 8.0355 121.8132 51.9071 18.7822 177.4835 24 F 4.3243 8.8302 124.3054 58.8393 40.2849 176.4501 25 N 4.4740 8.0245 127.3939 51.4533 35.4759 174.9168 26 E 3.9035 7.7242 125.6530 59.4590 30.1740 178.2950 27 D 4.3455 8.0605 117.0482 57.4522 41.3427 178.3655 28 G 3.6045 7.7953 106.8334 47.0805 0.0000 175.1004 29 L 3.7688 7.6871 122.7801 57.6828 42.0114 179.0287 30 R 3.8627 7.8247 118.5466 59.6793 29.8683 178.6179 31 Q 3.9832 7.8228 116.1987 58.5123 28.6539 178.5144 32 V 3.7603 7.2071 118.5266 65.5287 31.5435 177.8792 33 L 4.0842 7.9679 118.7855 57.8994 41.8019 179.0297 34 E 4.0186 8.3703 118.5597 59.4901 29.3434 178.4670 35 E 4.3915 7.6438 117.5206 56.6069 30.0205 178.7086 *37 K 4.2062 8.0291 120.9313 56.5941 34.2762 177.3922 38 A 4.0242 7.9291 119.8713 55.4659 18.0856 179.6226 39 L 4.0779 7.8871 115.6606 58.3908 41.8505 178.5569 40 Y 4.4713 8.0183 119.8218 59.8720 38.8832 176.6423 41 E 3.7333 8.6286 118.9078 60.0068 29.7498 179.4951 42 Q 4.1363 7.8000 114.0850 57.3910 29.0580 177.0313 43 N 4.8172 7.6015 118.3391 54.6231 40.8699 175.9118 44 Q 3.8037 8.3796 121.3297 59.2633 29.0032 177.4451 45 S 3.9685 8.4378 114.3272 61.8629 62.4858 175.7299 46 D 3.8924 8.1301 120.9047 57.4576 40.6040 179.5303 47 V 3.6484 7.4908 118.2076 65.9381 31.5771 177.8825 48 N 4.2615 8.4166 116.5846 56.3386 38.4079 176.9218 49 E 4.0205 8.9744 120.6919 58.2479 29.3780 177.8651 50 A 4.4870 7.1069 117.9805 54.3683 20.1847 178.8642 51 K 4.1007 7.9906 116.4211 58.4717 32.2578 178.1176 52 S 4.7068 8.0263 112.2882 59.9389 64.3619 176.4388 53 G 4.0360 7.4373 108.1378 43.7771 0.0000 173.3827 54 G 4.0924 7.9192 114.8874 46.3073 0.0000 173.6650 55 R 3.7583 7.6495 125.7462 55.9166 29.4102 175.3169 56 S 4.4623 8.5011 120.3270 59.0205 63.0721 175.2701 57 D 4.5481 8.1461 117.1781 55.0292 39.0959 177.5195 58 L 4.2579 8.4206 121.7032 57.2321 41.6981 179.0792 59 I 3.5989 7.5307 119.8588 63.9352 37.0683 175.4180 60 P 4.2803 0.0000 0.0000 66.4389 31.0913 178.6007 61 T 3.8597 8.0167 113.4951 66.7231 68.0442 176.6568 62 I 4.5224 7.4097 122.2556 63.7818 37.6235 177.9349 63 K 4.0868 8.3248 119.6225 59.8265 32.0851 178.4894 64 F 3.9350 8.4554 120.4533 62.0751 39.2170 177.4020 65 R 4.1598 8.3744 117.2485 59.5954 29.8938 178.6829 66 H 4.2459 8.3640 118.1039 59.3981 29.8807 176.8701 67 C 3.9205 7.8432 118.0898 62.9868 27.8962 176.2087 68 S 3.9882 7.8844 115.8548 61.6452 62.5108 176.4118 69 L 3.9568 7.8313 121.3183 57.9689 41.4362 179.5753 70 L 3.8593 7.8161 118.3978 58.2155 41.6224 179.0062 71 R 3.7429 8.4837 118.3894 59.8274 30.0190 177.8765 72 N 4.1403 8.7032 116.3722 56.4270 38.6479 177.4403 73 R 3.8578 7.6864 119.3398 59.1709 30.2724 177.9892 74 R 3.8636 8.3534 118.8887 59.9486 29.9591 178.1165 75 C 4.1316 8.1084 115.9731 63.1611 28.2857 176.0270 76 T 3.9272 7.8344 113.5597 64.1324 66.8156 176.2222 77 V 3.8617 7.9090 120.0897 65.6711 31.8446 177.4595 78 A 4.0713 8.1927 120.7857 55.4423 18.1881 178.8250 79 Y 3.9699 8.2440 117.7546 61.0749 39.1361 178.5024 80 L 4.1063 8.0027 118.2158 57.5065 41.5745 178.9464 81 Y 4.1679 7.9584 119.8547 60.3960 38.9420 176.8752 82 D 4.1132 8.2830 118.9970 57.2290 41.1621 178.4766 83 R 3.7763 7.5541 118.3414 58.9134 29.9146 178.9218 84 L 3.2833 6.9986 117.6218 57.3897 41.2051 179.4877 85 L 3.7448 7.2806 118.3673 57.5044 41.6068 179.6142 86 R 4.0430 7.6193 117.9146 59.3280 30.0814 178.8923 87 I 3.6612 8.1108 120.0455 64.3238 36.9855 178.1807 88 R 3.9860 8.3407 119.6407 59.6885 29.8680 178.1192 89 A 4.2766 7.8604 120.3992 55.5640 18.4168 179.3493 90 L 4.2312 7.9310 116.9044 57.9774 41.2239 180.0781 91 R 4.3462 8.5799 118.9641 59.3022 29.9588 177.8258 92 W 4.5764 8.1240 114.6277 57.4073 28.7327 175.8042 93 E 4.5164 7.7053 115.3255 57.9257 31.2557 176.6594 94 Y 4.3261 8.3609 114.9069 58.1213 39.2669 176.5303 95 G 4.0049 8.2048 105.0341 44.5672 0.0000 174.4176 96 S 4.3182 8.6775 113.9980 60.4698 62.9690 175.1940 97 I 4.2638 7.5274 112.3302 59.8056 38.6174 174.9048 98 L 4.3083 8.2076 123.3222 52.7633 42.8704 174.8341 99 P 4.1255 0.0000 0.0000 62.8941 31.2377 176.7930 100 N 4.2822 8.9977 121.7071 55.8517 38.6015 176.0789 101 A 3.7909 7.6124 120.6114 55.5182 18.8929 179.0828 102 L 4.0046 8.2909 117.8714 57.7926 41.5807 179.4499 103 R 3.7916 7.9658 116.5350 59.4771 30.0751 178.2238 104 F 4.1576 7.7786 118.1174 59.8129 40.2255 174.8257 105 H 4.8673 8.8324 116.7102 55.3811 29.2619 173.6743 *107 A 4.1349 7.6425 120.7814 51.4720 19.6655 178.1041 108 A 4.2507 8.5567 123.2102 55.2391 18.7999 179.2946 109 E 4.1700 7.9766 115.1109 59.3961 29.9171 178.1234 110 E 4.1611 8.3140 118.3913 56.8376 29.6355 178.5717 *112 E 4.2629 8.3795 120.7693 56.0910 31.5621 177.3788 113 W 4.1399 8.3413 127.9993 60.3535 30.5621 177.6910 114 F 4.1402 8.9983 120.8618 61.6179 39.0180 177.0339 115 N 4.2834 8.3892 115.4206 56.2004 37.9156 176.9840 116 N 4.2905 8.0190 117.9815 55.8558 38.6340 176.9440 117 Y 3.5876 7.4362 121.3076 60.1518 38.8525 177.8823 118 K 3.3438 8.0555 120.0828 60.0687 32.7248 178.7177 119 R 3.9402 7.7065 120.6929 58.5584 29.6848 178.1551 120 S 4.2263 7.2243 112.9584 60.6619 63.4961 175.9028 121 L 3.7782 7.1559 122.7784 57.5973 41.6413 178.4559 122 A 4.0154 7.9621 119.8113 55.5841 18.3962 179.2935 123 T 3.9207 7.0561 111.1194 67.0029 68.8196 175.9989 124 Y 4.1632 8.3003 120.8082 59.5387 39.3063 177.6535 *126 R 4.3144 7.7293 115.3067 55.8431 31.8234 175.7524 127 S 4.6405 7.9945 111.4373 57.9147 63.4889 174.8798 128 L 4.0291 7.6739 120.3603 56.0321 41.7173 176.1399 129 G 3.8485 7.3679 106.6246 44.6276 0.0000 172.7008 130 G 3.5587 8.2626 108.9659 45.9881 0.0000 173.3882 131 D 4.2463 9.0820 115.0491 54.7452 38.0400 173.8193 132 E 3.4599 6.8915 124.8960 61.6237 27.2053 176.3143 133 G 3.8015 7.0423 108.5309 43.4995 0.0000 176.4963 134 L 4.3827 8.1744 129.4964 52.6234 43.9077 174.6810 135 D 4.3456 8.7918 126.7976 54.5966 41.0508 175.2407 136 I 4.4187 8.3566 119.7786 60.9833 37.9632 176.4435 137 T 4.4748 8.5307 113.1782 63.7556 69.2588 175.1594 138 Q 4.2014 8.1387 120.3591 54.9182 30.0591 171.9392 139 D 4.1174 8.4390 123.0956 54.2584 39.3217 173.8870 *141 K 4.1054 8.3456 122.4068 54.9168 33.3014 174.3385 142 P 4.2839 0.0000 0.0000 62.3002 31.5219 174.4120 143 P 4.2469 0.0000 0.0000 63.3377 31.6433 175.9294 144 K 4.4718 8.2984 120.7620 56.0423 33.0375 175.8197 145 S 4.1766 7.7167 117.1750 59.5293 62.1064 174.1148 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 F 8.18 4.82 0.00 3.02 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 3 C 8.28 4.33 0.00 3.17 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.05 3.98 0.00 2.16 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 2.38 2.33 0.00 5 K 8.16 4.01 0.00 1.87 1.78 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.40 1.36 7.81 6 A 7.45 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.22 4.28 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 9 L 7.85 4.09 0.00 1.69 1.53 0.51 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.63 4.02 1.94 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 1.67 0.72 0.99 0.00 0.00 11 R 7.91 4.03 0.00 1.90 2.04 0.00 3.26 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 12 E 7.80 3.95 0.00 2.14 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 2.37 2.39 0.00 13 L 7.31 4.45 0.00 2.07 1.69 0.82 0.60 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 14 H 8.03 4.27 0.00 3.11 3.36 0.00 5.94 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.18 4.23 0.00 1.83 1.91 0.00 3.20 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 16 A 7.28 4.54 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 17 P 0.00 3.23 0.00 2.27 1.82 0.00 3.68 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 18 E 8.97 4.10 0.00 2.06 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 0.00 2.30 2.38 0.00 19 G 7.38 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.45 4.05 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 21 L 8.15 4.49 0.00 1.52 1.56 0.84 0.90 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 22 P 0.00 4.53 0.00 2.22 2.05 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.15 0.00 23 A 8.04 4.14 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.83 4.32 0.00 2.89 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 25 N 8.02 4.47 0.00 2.84 2.31 0.00 0.00 6.99 7.17 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 26 E 7.72 3.90 0.00 2.05 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 2.80 2.66 0.00 27 D 8.06 4.35 0.00 2.72 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 28 G 7.80 3.60 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 0.00 0.00 0.00 29 L 7.69 3.77 0.00 1.47 1.71 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.82 3.86 0.00 2.03 2.05 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 31 Q 7.82 3.98 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 32 V 7.21 3.76 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 0.81 0.00 0.00 0.88 0.00 0.00 33 L 7.97 4.08 0.00 1.87 1.68 0.93 0.69 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 34 E 8.37 4.02 0.00 2.11 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 2.35 2.39 0.00 35 E 7.64 4.39 0.00 2.30 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 *37 K 8.03 4.21 0.00 1.84 2.06 0.00 1.76 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.53 7.81 38 A 7.93 4.02 1.44 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 0.00 0.00 39 L 7.89 4.08 0.00 1.76 1.85 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 8.02 4.47 0.00 2.98 3.15 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 41 E 8.63 3.73 0.00 2.06 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 2.37 2.72 0.00 42 Q 7.80 4.14 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 43 N 7.60 4.82 0.00 3.08 2.89 0.00 0.00 6.79 6.68 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 44 Q 8.38 3.80 0.00 1.60 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.52 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 45 S 8.44 3.97 0.00 3.82 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 46 D 8.13 3.89 0.00 2.93 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.49 3.65 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 1.01 0.00 0.00 1.00 0.00 0.00 48 N 8.42 4.26 0.00 2.82 2.82 0.00 0.00 6.70 7.56 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 49 E 8.97 4.02 0.00 2.03 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 2.47 0.00 50 A 7.11 4.49 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.99 4.10 0.00 1.88 1.88 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.59 7.81 52 S 8.03 4.71 0.00 4.03 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 53 G 7.44 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 0.00 0.00 0.00 54 G 7.92 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 55 R 7.65 3.76 0.00 1.77 2.10 0.00 3.22 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.66 0.00 56 S 8.50 4.46 0.00 3.89 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 57 D 8.15 4.55 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 58 L 8.42 4.26 0.00 1.69 1.74 1.00 0.91 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 59 I 7.53 3.60 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 1.65 0.59 0.93 0.00 0.00 60 P 0.00 4.28 0.00 2.16 2.15 0.00 3.77 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 2.13 2.22 0.00 61 T 8.02 3.86 4.36 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 1.19 0.00 0.00 62 I 7.41 4.52 1.96 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 1.76 0.89 0.99 0.00 0.00 63 K 8.32 4.09 0.00 1.98 1.93 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.66 7.81 64 F 8.46 3.94 0.00 3.29 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 65 R 8.37 4.16 0.00 2.31 2.11 0.00 3.44 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.01 0.00 66 H 8.36 4.25 0.00 3.40 3.48 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 C 7.84 3.92 0.00 2.94 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 68 S 7.88 3.99 0.00 4.09 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 69 L 7.83 3.96 0.00 1.84 1.71 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.82 3.86 0.00 1.74 1.63 0.81 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.48 3.74 0.00 1.85 1.80 0.00 3.22 0.00 0.00 3.10 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 72 N 8.70 4.14 0.00 2.98 2.87 0.00 0.00 6.82 7.20 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 73 R 7.69 3.86 0.00 2.01 2.03 0.00 3.09 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 74 R 8.35 3.86 0.00 1.81 2.04 0.00 3.10 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 75 C 8.11 4.13 0.00 2.99 2.94 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 76 T 7.83 3.93 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 77 V 7.91 3.86 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 0.92 0.00 0.00 0.96 0.00 0.00 78 A 8.19 4.07 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Y 8.24 3.97 0.00 3.15 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 80 L 8.00 4.11 0.00 2.04 1.79 1.05 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 7.96 4.17 0.00 3.11 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 82 D 8.28 4.11 0.00 2.96 2.51 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 83 R 7.55 3.78 0.00 1.66 1.83 0.00 2.45 0.00 0.00 2.93 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.28 0.00 84 L 7.00 3.28 0.00 1.32 0.71 0.32 -0.57 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 85 L 7.28 3.74 0.00 1.53 1.55 0.79 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.62 4.04 0.00 1.93 1.92 0.00 3.05 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.86 0.00 87 I 8.11 3.66 1.77 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.42 1.03 0.00 0.00 88 R 8.34 3.99 0.00 1.98 2.18 0.00 3.36 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.83 0.00 89 A 7.86 4.28 1.44 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 0.00 0.00 90 L 7.93 4.23 0.00 2.12 1.76 1.05 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.58 4.35 0.00 2.13 2.16 0.00 3.33 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.13 0.00 92 W 8.12 4.58 0.00 3.43 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 93 E 7.71 4.52 0.00 2.27 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.16 0.00 94 Y 8.36 4.33 0.00 2.95 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 95 G 8.20 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.68 4.32 0.00 3.82 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 97 I 7.53 4.26 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 1.45 1.03 0.94 0.00 0.00 98 L 8.21 4.31 0.00 1.55 1.42 0.44 1.28 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 99 P 0.00 4.13 0.00 1.82 1.83 0.00 3.22 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.94 0.00 100 N 9.00 4.28 0.00 2.81 2.80 0.00 0.00 7.08 8.15 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 0.00 101 A 7.61 3.79 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 0.00 102 L 8.29 4.00 0.00 1.49 1.53 0.78 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 103 R 7.97 3.79 0.00 1.80 2.02 0.00 3.39 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 104 F 7.78 4.16 0.00 3.19 3.23 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 0.00 105 H 8.83 4.87 0.00 3.29 3.41 0.00 5.72 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *107 A 7.64 4.13 0.43 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 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.56 4.25 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 0.00 109 E 7.98 4.17 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 110 E 8.31 4.16 0.00 2.00 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 0.00 2.12 1.93 0.00 *112 E 8.38 4.26 0.00 2.25 2.27 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 2.32 2.34 0.00 113 W 8.34 4.14 0.00 3.51 3.42 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 0.00 114 F 9.00 4.14 0.00 3.52 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 0.00 115 N 8.39 4.28 0.00 2.82 2.86 0.00 0.00 7.07 6.92 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 0.00 116 N 8.02 4.29 0.00 2.73 2.69 0.00 0.00 6.51 7.31 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 0.00 117 Y 7.44 3.59 0.00 1.63 2.36 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 0.00 118 K 8.06 3.34 0.00 1.68 1.51 0.00 1.36 0.00 0.00 1.49 0.00 0.00 2.87 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.32 1.28 7.81 119 R 7.71 3.94 0.00 2.03 2.01 0.00 3.01 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 120 S 7.22 4.23 0.00 3.96 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.16 3.78 0.00 0.96 1.43 1.06 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.96 4.02 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 T 7.06 3.92 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 1.21 0.00 0.00 124 Y 8.30 4.16 0.00 2.89 3.14 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 0.00 0.00 0.00 0.00 *126 R 7.73 4.31 0.00 1.95 1.94 0.00 3.15 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.83 0.00 127 S 7.99 4.64 0.00 3.89 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 0.00 128 L 7.67 4.03 0.00 1.55 1.64 0.19 0.62 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 0.00 129 G 7.37 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.26 3.56 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 0.00 131 D 9.08 4.25 0.00 2.84 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 E 6.89 3.46 0.00 2.12 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 0.00 2.16 2.26 0.00 133 G 7.04 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.17 4.38 0.00 1.50 1.44 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 135 D 8.79 4.35 0.00 2.64 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 0.00 136 I 8.36 4.42 2.01 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.17 1.02 0.00 0.00 137 T 8.53 4.47 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 0.85 0.00 0.00 138 Q 8.14 4.20 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.24 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 139 D 8.44 4.12 0.00 2.85 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 *141 K 8.35 4.11 0.00 1.78 1.79 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.45 7.81 142 P 0.00 4.28 0.00 2.17 2.08 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 143 P 0.00 4.25 0.00 2.06 2.05 0.00 3.63 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 144 K 8.30 4.47 0.00 1.68 1.76 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.38 7.81 145 S 7.72 4.18 0.00 3.82 3.64 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 * Residues marked with a * may have inaccurate shift predictions.