NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1851 8.1127 119.7066 56.6909 30.7102 175.0288 3 V 2.9776 8.4654 119.9899 62.0540 30.9442 171.6314 4 K 4.2747 8.4944 118.5178 57.8191 33.8816 176.0428 5 M 4.2469 7.4265 117.7471 54.4603 32.9498 173.9346 6 H 4.4321 8.8097 113.0113 55.9572 29.9467 176.2866 7 V 2.4409 6.5902 107.6141 60.2403 32.9591 178.1690 8 K 4.8185 7.6138 123.8111 54.8188 36.8317 176.1004 9 K 4.3964 8.3573 122.1042 56.3933 32.8240 179.0880 10 G 3.8698 8.8874 104.3895 45.6458 0.0000 173.1520 11 D 4.8958 7.4343 122.9660 52.9359 38.1317 179.0070 12 T 4.6905 8.4311 116.9628 62.0029 71.5852 172.5055 13 V 4.6574 8.7727 120.0699 59.3357 35.2886 175.0559 14 L 4.7671 8.9166 125.6358 54.3534 43.9277 175.6976 15 V 4.6453 8.3216 123.0039 61.2615 34.3588 175.4822 16 A 4.9375 8.5255 125.0059 52.7558 19.9995 178.3359 17 S 4.3878 8.9088 117.0213 60.2996 62.1215 174.7841 18 G 4.2030 9.0541 108.2316 46.2609 0.0000 175.0439 19 K 3.9994 8.9054 120.3311 58.8014 33.0852 177.7957 20 Y 4.2984 7.5574 113.6588 57.4106 38.1690 174.7567 21 K 3.7268 7.5280 123.1737 57.1306 32.0450 175.3804 22 G 4.3125 8.4767 116.9045 46.4567 0.0000 171.8289 23 R 4.3115 7.7707 116.9296 55.0461 32.7244 173.4280 24 V 3.4785 8.0225 125.1261 62.2415 32.7010 171.3147 25 G 4.0208 8.0652 113.2961 44.9353 0.0000 174.2413 26 K 4.4678 8.5253 121.6570 55.6249 33.5556 176.2183 27 V 3.5846 8.1213 116.0481 63.2013 32.2831 177.4905 28 K 4.4408 8.6405 122.6041 56.1441 33.1551 176.4864 29 E 3.6614 8.6313 116.4765 56.3759 27.4842 175.0073 30 V 2.9994 7.6919 112.2519 63.7861 29.7744 172.7897 31 L 4.0229 7.7397 130.8053 54.8046 42.0180 175.5704 32 P 4.7652 0.0000 0.0000 62.3104 32.6217 177.2473 33 K 3.9125 8.0686 118.9992 59.2375 31.9582 177.3275 34 K 4.3136 7.9554 114.8903 55.3473 33.8674 174.9122 35 Y 3.2936 8.5476 119.8102 58.5522 37.3966 168.0909 36 A 5.2161 7.3036 121.0313 50.8975 24.3038 176.5725 37 V 4.3997 8.1843 113.3191 60.9961 30.1710 176.9074 38 I 3.8624 8.3795 131.2386 62.6754 43.7877 177.1800 39 V 3.6142 8.2977 118.8868 63.4718 30.4914 173.1520 40 E 4.6902 8.9819 110.9922 57.1694 33.5897 176.3041 41 G 3.3702 7.8571 110.6660 47.5066 0.0000 175.2340 42 V 2.5939 5.7955 120.0506 62.1550 31.1190 175.9867 43 N 5.2395 8.0029 124.9221 52.0825 37.9193 173.4858 44 I 4.4851 7.2971 122.2202 60.6500 38.9659 175.2632 45 V 4.7206 7.8872 119.7648 61.2640 36.1858 176.7643 46 K 4.2290 8.1174 123.3731 56.0027 31.7437 177.6212 47 K 3.8649 8.9754 112.3784 58.1331 34.0598 174.3622 48 A 4.0026 6.7509 126.2394 52.8606 17.3023 178.3209 49 V 4.1616 7.9963 119.8218 61.1070 33.9963 178.4095 50 R 3.5338 7.6655 117.6230 57.7164 28.0438 177.4326 51 V 3.8536 8.4303 120.2876 65.9564 32.1925 177.0918 52 S 4.5098 7.5159 114.0742 56.4618 65.2408 174.0353 53 P 4.3877 0.0000 0.0000 62.2379 30.4586 176.0320 54 K 3.4475 8.7296 120.3875 57.7693 32.5274 176.7733 55 Y 3.6171 9.3680 115.3982 58.9348 37.6665 172.0005 56 P 3.8715 0.0000 0.0000 61.6570 34.3398 179.3734 57 Q 4.6637 8.9407 132.2083 56.5639 30.1678 173.3921 58 G 4.1173 8.3724 110.3493 45.3147 0.0000 173.6443 59 G 4.0761 8.6415 106.4763 45.7828 0.0000 173.2622 60 F 5.4657 8.8984 114.4962 56.6291 39.9577 177.0899 61 I 4.5875 7.4789 120.5899 60.6750 37.5913 176.5497 62 E 4.5726 7.2913 130.6750 55.7945 29.1650 180.2023 63 K 4.6792 8.1110 129.5228 56.2501 36.2625 173.5466 64 E 5.1991 8.9545 119.1041 54.8934 31.3749 176.3667 65 A 4.3982 9.3691 126.6144 51.5143 19.8767 177.4128 66 P 4.4204 0.0000 0.0000 67.7419 32.5218 172.6812 67 L 3.6110 7.8250 129.5659 54.0084 43.5328 173.0010 68 H 4.4289 8.8375 124.9223 56.4678 29.9395 175.5067 69 A 3.8014 8.8763 129.8250 55.2762 18.2103 179.5292 70 S 4.0611 8.3783 108.8693 60.6501 62.9946 175.0741 71 K 4.2132 8.4477 119.9699 58.3375 32.2738 177.1693 72 V 4.7348 6.9689 111.0339 60.6185 33.4537 176.0818 73 R 4.7474 8.7890 120.8258 54.4806 35.1636 173.9339 74 P 4.9247 0.0000 0.0000 62.7150 34.1702 174.6380 75 I 4.6952 7.2289 117.5722 60.5119 40.8411 173.8704 76 C 4.6779 8.9367 123.2921 60.1533 34.2102 173.5699 77 P 3.9194 0.0000 0.0000 62.1757 27.6334 174.7746 78 A 4.3157 6.3461 121.6391 52.5768 23.5237 175.3240 79 C 4.7800 7.9843 115.0308 58.5720 35.8267 178.6637 80 G 3.6147 8.4301 108.4950 44.9332 0.0000 177.6983 81 K 3.9335 9.1309 134.3730 55.8757 30.8142 173.6935 82 P 4.3469 0.0000 0.0000 63.3633 31.9659 176.0169 83 T 4.4686 8.1777 116.6706 63.1481 70.1547 174.1365 84 R 4.8501 8.6194 123.0595 54.4485 34.6426 174.2673 85 V 4.8550 8.1697 118.1294 61.7625 34.1279 174.1956 86 R 4.7878 8.9653 127.0498 54.5501 33.3854 176.3161 87 K 3.9941 8.7203 120.0727 58.6673 33.2997 179.1211 88 K 4.1140 8.3025 115.5908 55.4515 29.8199 176.4324 89 F 3.9889 8.6369 115.8399 57.3343 35.8150 174.8252 90 L 4.8636 7.3142 130.7364 56.1918 41.8287 173.4991 91 E 4.7316 7.4586 119.0725 55.3941 30.1279 176.1792 92 N 4.8560 7.9609 123.6653 54.8051 41.7106 174.3243 93 G 4.4324 8.6010 112.6073 44.5001 0.0000 170.9954 94 K 5.1065 8.5627 119.5814 55.6525 34.9208 175.4370 95 K 4.7349 8.4611 119.6417 54.7281 37.3360 175.8542 96 I 4.3133 8.2787 121.9260 61.1903 38.6235 175.2949 97 R 4.1989 8.2246 119.4738 56.7226 30.2379 177.3678 98 V 3.0893 8.0230 115.4386 63.2445 28.7443 172.7176 99 C 6.0909 8.3103 135.0000 59.2140 33.1743 173.1480 100 A 3.8820 7.4682 120.5060 52.9719 18.0523 177.7990 101 K 4.0233 8.4413 119.7226 56.7626 33.6249 175.0266 *102 C 4.3630 8.7009 122.3089 57.8583 28.5244 171.4775 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 R 8.11 4.19 0.00 1.86 1.96 0.00 3.41 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 3 V 8.47 2.98 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 0.75 0.00 0.00 0.93 0.00 0.00 4 K 8.49 4.27 0.00 1.86 1.96 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.34 7.81 5 M 7.43 4.25 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 6 H 8.81 4.43 0.00 3.16 3.51 0.00 5.74 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 6.59 2.44 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 0.73 0.00 0.00 0.89 0.00 0.00 8 K 7.61 4.82 0.00 1.60 1.94 0.00 1.48 0.00 0.00 1.65 0.00 0.00 3.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.40 7.81 9 K 8.36 4.40 0.00 1.88 1.46 0.00 1.30 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.35 7.81 10 G 8.89 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 11 D 7.43 4.90 0.00 2.77 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 0.00 0.00 0.00 12 T 8.43 4.69 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 13 V 8.77 4.66 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 0.84 0.00 0.00 0.90 0.00 0.00 14 L 8.92 4.77 0.00 1.73 1.65 0.95 0.89 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 15 V 8.32 4.65 2.41 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 1.13 0.00 0.00 0.96 0.00 0.00 16 A 8.53 4.94 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 17 S 8.91 4.39 0.00 4.04 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 18 G 9.05 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 0.00 0.00 0.00 0.00 19 K 8.91 4.00 0.00 2.02 1.96 0.00 1.87 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 20 Y 7.56 4.30 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 21 K 7.53 3.73 0.00 1.80 1.81 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.49 7.81 22 G 8.48 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 0.00 0.00 0.00 23 R 7.77 4.31 0.00 1.89 2.06 0.00 3.53 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 24 V 8.02 3.48 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 0.74 0.00 0.00 0.94 0.00 0.00 25 G 8.07 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.53 4.47 0.00 1.72 1.76 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.42 7.81 27 V 8.12 3.58 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 1.01 0.00 0.00 0.99 0.00 0.00 28 K 8.64 4.44 0.00 1.90 1.96 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.35 1.39 7.81 29 E 8.63 3.66 0.00 2.04 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 2.21 2.31 0.00 30 V 7.69 3.00 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 0.73 0.00 0.00 0.87 0.00 0.00 31 L 7.74 4.02 0.00 1.87 1.56 0.91 1.04 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 32 P 0.00 4.77 0.00 2.11 2.18 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 33 K 8.07 3.91 0.00 1.77 1.96 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.50 7.81 34 K 7.96 4.31 0.00 1.74 1.86 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.40 7.81 35 Y 8.55 3.29 0.00 3.15 2.89 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 36 A 7.30 5.22 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 37 V 8.18 4.40 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 0.74 0.00 0.00 0.98 0.00 0.00 38 I 8.38 3.86 2.17 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 1.25 0.57 0.87 0.00 0.00 39 V 8.30 3.61 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 1.02 0.00 0.00 0.89 0.00 0.00 40 E 8.98 4.69 0.00 1.96 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 0.00 2.19 2.22 0.00 41 G 7.86 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 5.80 2.59 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 0.91 0.00 0.00 0.77 0.00 0.00 43 N 8.00 5.24 0.00 2.83 2.68 0.00 0.00 7.11 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 44 I 7.30 4.49 1.87 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 1.32 0.75 0.93 0.00 0.00 45 V 7.89 4.72 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 0.70 0.00 0.00 0.93 0.00 0.00 46 K 8.12 4.23 0.00 1.57 0.84 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.22 1.31 7.81 47 K 8.98 3.86 0.00 1.88 1.92 0.00 1.50 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.33 7.81 48 A 6.75 4.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.00 4.16 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 0.81 0.00 0.00 1.05 0.00 0.00 50 R 7.67 3.53 0.00 1.93 1.73 0.00 3.21 0.00 0.00 3.12 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 51 V 8.43 3.85 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 0.80 0.00 0.00 0.90 0.00 0.00 52 S 7.52 4.51 0.00 3.93 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 53 P 0.00 4.39 0.00 2.02 2.13 0.00 3.68 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 54 K 8.73 3.45 0.00 1.43 1.29 0.00 1.84 0.00 0.00 1.64 0.00 0.00 3.42 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.40 7.81 55 Y 9.37 3.62 0.00 3.18 3.17 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 0.00 56 P 0.00 3.87 0.00 2.16 1.50 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 57 Q 8.94 4.66 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 58 G 8.37 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 59 G 8.64 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 60 F 8.90 5.47 0.00 2.93 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 61 I 7.48 4.59 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.49 0.94 0.00 0.00 62 E 7.29 4.57 0.00 1.99 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 2.21 2.29 0.00 63 K 8.11 4.68 0.00 1.58 1.66 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.39 7.81 64 E 8.95 5.20 0.00 1.77 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 2.20 2.25 0.00 65 A 9.37 4.40 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 66 P 0.00 4.42 0.00 1.96 2.06 0.00 3.80 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 67 L 7.83 3.61 0.00 2.06 1.63 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.84 4.43 0.00 3.24 3.25 0.00 5.75 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 69 A 8.88 3.80 0.53 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 0.00 0.00 70 S 8.38 4.06 0.00 4.09 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 0.00 71 K 8.45 4.21 0.00 2.07 1.86 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.44 7.81 72 V 6.97 4.73 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.90 0.00 0.00 73 R 8.79 4.75 0.00 1.70 1.76 0.00 3.13 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 74 P 0.00 4.92 0.00 2.10 2.20 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 75 I 7.23 4.70 2.01 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 1.33 0.57 0.91 0.00 0.00 76 C 8.94 4.68 0.00 2.91 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 77 P 0.00 3.92 0.00 2.15 2.31 0.00 3.86 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 1.98 2.09 0.00 78 A 6.35 4.32 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 C 7.98 4.78 0.00 2.90 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 80 G 8.43 3.61 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 0.00 0.00 0.00 81 K 9.13 3.93 0.00 2.02 2.19 0.00 1.71 0.00 0.00 1.93 0.00 0.00 3.11 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.46 7.81 82 P 0.00 4.35 0.00 2.08 2.02 0.00 3.73 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 2.05 2.15 0.00 83 T 8.18 4.47 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 1.22 0.00 0.00 84 R 8.62 4.85 0.00 1.88 1.83 0.00 3.08 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 85 V 8.17 4.86 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 0.94 0.00 0.00 86 R 8.97 4.79 0.00 1.90 1.73 0.00 3.14 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 87 K 8.72 3.99 0.00 2.03 2.08 0.00 1.81 0.00 0.00 1.95 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.58 7.81 88 K 8.30 4.11 0.00 1.99 2.13 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.52 7.81 89 F 8.64 3.99 0.00 3.07 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 L 7.31 4.86 0.00 1.75 1.79 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.46 4.73 0.00 2.01 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 92 N 7.96 4.86 0.00 2.68 2.66 0.00 0.00 7.04 7.98 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 93 G 8.60 4.43 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 0.00 94 K 8.56 5.11 0.00 1.79 1.90 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.46 7.81 95 K 8.46 4.73 0.00 1.71 1.70 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.40 7.81 96 I 8.28 4.31 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 1.40 1.06 0.91 0.00 0.00 97 R 8.22 4.20 0.00 1.89 1.94 0.00 3.14 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 98 V 8.02 3.09 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 0.75 0.00 0.00 0.93 0.00 0.00 99 C 8.31 6.09 0.00 3.07 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 0.00 100 A 7.47 3.88 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 0.00 101 K 8.44 4.02 0.00 1.66 1.69 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.19 1.28 7.81 *102 C 8.70 4.36 0.00 2.74 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 * Residues marked with a * may have inaccurate shift predictions.