NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2851 8.3149 119.9977 56.6076 33.9431 174.8266 5 L 4.4234 8.2580 121.7041 52.5916 43.6112 174.4373 6 A 4.5976 9.0311 125.7295 51.5478 21.0431 177.9778 7 L 4.4879 8.1840 120.3712 53.0074 43.4326 173.2894 8 K 4.2342 7.8049 120.2159 55.4136 31.9227 176.0095 9 T 4.0401 8.2228 123.5773 64.0895 69.0129 174.2865 10 I 4.1340 7.8503 124.1009 59.1406 40.6116 174.6828 11 D 4.7523 8.3355 126.2771 51.7857 40.9348 177.4305 12 W 4.1682 8.8166 125.4411 59.2952 28.9755 178.7648 13 V 3.8015 7.9453 118.1056 64.3921 31.3454 177.9072 14 A 4.1305 8.1923 121.1798 54.9636 18.2049 179.2604 15 F 4.1391 7.9894 119.2317 61.4321 39.2262 177.2442 16 G 3.8866 8.4745 104.4732 48.0167 0.0000 174.4710 17 E 4.4208 7.9754 117.6827 56.0580 29.7177 176.9610 18 I 4.2562 7.2244 110.8635 60.2824 38.5773 175.2750 19 I 4.0757 7.3010 122.7502 59.2019 37.8299 173.7212 20 P 4.3222 0.0000 0.0000 62.7363 32.1746 177.6477 21 R 3.8715 8.6407 119.8798 59.5594 30.1206 178.7878 22 N 4.7173 8.0963 109.9481 54.0347 36.9991 175.0571 23 Q 4.4890 8.3455 115.3774 54.4787 31.9354 176.5613 24 K 3.7953 7.7548 119.6046 59.9644 32.0379 177.4685 25 A 3.8935 8.2330 119.6442 55.5907 17.9786 179.1333 26 V 3.4455 7.8242 113.7800 66.3196 31.6095 178.0429 27 A 4.2271 8.1484 119.8258 55.6351 18.2582 178.9354 28 N 4.3304 8.7526 114.9497 57.0103 38.6755 177.3620 29 S 4.2493 8.2270 115.3435 60.7378 62.5515 176.0935 30 L 4.1135 8.4460 123.2923 58.0403 41.8088 179.1279 31 K 3.9728 8.4460 118.7381 59.5714 31.7247 179.5146 32 S 4.2286 8.2016 114.4912 61.0787 62.7865 176.0578 33 W 4.5378 8.4972 132.1801 60.3324 30.4500 177.0400 34 N 4.4142 8.1348 116.4756 56.9484 38.3206 176.3884 35 E 3.7662 8.1818 119.4626 60.0298 29.5532 178.9487 36 T 3.6994 8.5137 115.9208 67.1253 68.5316 175.9564 37 L 3.5435 8.4233 121.1170 58.2068 41.5191 179.9396 38 T 3.7563 7.9979 114.1173 66.8200 68.8613 176.2820 39 S 4.1972 8.2901 117.2943 61.6990 62.7980 176.5533 40 R 3.7921 8.0848 121.4402 59.7989 28.7122 178.5717 41 L 4.0140 7.9799 118.0334 57.5272 41.3303 179.4472 42 A 4.1673 7.6886 119.9730 54.3892 18.2948 178.6762 43 T 4.5534 7.9419 107.1136 61.5698 70.2625 174.6702 44 L 4.3072 7.0120 118.8908 52.4168 41.0487 174.6956 45 P 4.3812 0.0000 0.0000 62.5912 31.8748 176.5515 46 E 3.9381 8.3309 121.3759 59.1251 29.6673 177.4933 47 K 4.7160 7.5593 115.7049 53.7411 35.5637 174.3028 48 P 4.6091 0.0000 0.0000 60.9835 32.2325 174.4383 49 P 4.1600 0.0000 0.0000 62.6819 31.8977 177.3182 50 A 4.3182 8.2246 123.4017 51.9263 19.4744 176.3737 51 I 4.2331 7.7277 116.9025 58.8892 40.0159 176.8546 52 D 4.7133 8.4074 125.9294 53.9836 38.0732 176.0855 53 W 4.3254 8.3356 124.1207 59.1628 29.4908 176.9444 54 A 4.0534 8.3967 120.3244 55.6474 17.4846 178.5249 55 Y 4.1398 7.7378 116.2257 61.2844 39.0415 177.9846 56 Y 3.5920 7.7332 116.6543 60.7978 37.7862 178.1396 57 K 3.7937 8.5220 119.2819 59.9108 32.2466 178.1363 58 A 4.1885 8.4545 120.2866 53.5831 19.5359 177.3006 59 N 4.9049 7.5712 114.4531 50.9689 39.2767 174.8320 60 V 4.4055 6.9847 124.7145 61.1404 32.9808 175.7997 61 A 4.3169 8.2190 124.1715 52.8356 22.7374 177.1840 62 K 4.2384 8.0742 114.3259 55.7102 34.5531 175.2271 63 A 4.1606 8.9003 121.8019 54.2844 17.5373 179.1291 64 G 4.1232 9.0643 107.4521 45.8655 0.0000 174.9891 65 L 3.7740 7.9208 123.7293 57.7400 42.2810 177.4561 66 V 3.6484 7.6345 117.4924 66.3202 31.4225 177.3084 67 D 4.4089 8.1191 117.6950 57.5346 40.6347 177.9600 68 D 4.4484 8.3464 118.6794 57.7410 41.0520 178.7899 69 F 4.2740 9.0668 118.1561 60.5665 39.0357 177.0892 70 E 2.0000 8.5529 119.8008 59.3164 28.9225 178.2382 71 K 3.5932 7.6092 115.5949 60.0263 32.1220 178.3901 72 K 3.9414 8.5605 120.9592 60.2220 32.3798 178.7052 73 F 4.2120 8.9012 120.8644 60.5478 40.0173 175.2222 74 N 4.3625 8.2676 115.6166 54.0432 39.0583 174.8504 75 A 3.7824 8.4242 120.4544 52.8121 16.3957 176.4459 76 L 4.3331 7.4463 119.5991 54.7061 42.7358 176.2358 77 K 4.2839 8.3077 126.4818 54.3663 32.2341 176.5209 78 V 3.6599 8.1008 124.9872 61.7738 32.0120 174.0208 79 P 4.4063 0.0000 0.0000 62.5671 31.9543 175.8804 80 I 4.0385 8.1533 122.8862 59.7169 37.8759 174.1273 81 P 4.3099 0.0000 0.0000 62.7802 31.4103 176.0114 82 E 3.9658 8.8035 121.9973 56.9676 29.8570 177.5190 83 D 4.7825 8.4468 124.0178 53.5081 39.5818 175.0352 84 K 4.1843 6.8131 119.6040 56.2729 33.0473 177.8770 85 Y 4.6374 7.8465 118.1848 59.4555 39.9903 177.2171 86 T 4.2785 7.9871 116.9424 63.4884 66.3079 174.6205 87 A 5.2983 7.9224 124.9121 52.4026 19.5019 179.0051 88 Q 3.8911 8.1111 116.7001 59.6509 28.8437 178.7332 89 V 3.5954 7.6938 120.7455 65.5799 31.7043 177.3134 90 D 4.3041 8.0759 117.7554 57.3953 40.6319 178.2641 91 A 4.0084 8.2986 121.0258 55.8904 18.4538 178.5337 92 E 3.9669 9.2601 119.6221 58.3444 29.7678 178.3878 93 E 4.1051 8.6463 119.0290 59.0250 29.5599 179.5780 94 K 3.9306 8.2650 120.4533 59.2745 32.3801 178.1447 95 E 4.2353 8.3584 115.7153 57.6524 29.2450 177.8462 96 D 4.3501 7.7548 120.6608 56.6687 41.5624 178.1593 97 V 3.6831 7.5822 118.7659 67.0692 31.1987 177.4930 98 K 4.3110 7.9525 117.3611 59.3607 32.2398 179.3325 99 S 4.2045 9.5481 115.9156 58.6410 63.3815 177.5578 100 C 3.1507 8.1708 112.5812 60.7113 31.7898 175.8179 101 A 3.9831 5.8000 121.0456 55.6633 18.7065 179.2703 102 E 3.9068 7.9361 115.6564 59.4203 29.8412 179.0435 103 F 4.0021 8.1532 119.8810 61.3958 39.5195 176.9996 104 L 4.0841 8.3061 118.5806 58.1336 41.4947 179.6895 105 T 3.8178 8.5974 116.0138 66.7498 68.3362 176.7643 106 Q 3.8359 7.7352 119.3312 58.8873 28.6602 178.3992 107 S 3.8150 7.8594 114.4656 61.3998 62.1912 176.4346 108 K 3.8920 8.0355 120.9308 59.7926 31.7926 179.2709 109 T 3.8125 7.5662 112.7988 65.1131 67.2421 176.5513 110 R 3.8605 8.1311 121.8378 58.5685 29.9761 178.8281 111 I 3.8913 7.9991 118.7356 64.0217 37.9002 177.7696 112 Q 4.0014 8.4209 119.6621 58.9441 28.4309 178.8100 113 E 3.8738 8.0544 118.2238 59.7500 29.6201 178.3726 114 Y 4.6390 7.4295 118.4417 60.9493 37.9629 178.8924 115 E 4.0065 8.5170 119.0814 59.4169 29.4858 179.3307 116 K 3.8988 8.6609 119.9331 59.6315 32.3865 178.4165 117 E 4.0097 9.5120 119.8819 58.9365 29.2922 178.5375 118 L 4.2244 7.8341 118.3084 57.5483 41.9748 177.5497 119 E 3.8145 8.4819 119.2187 58.9892 29.2022 178.8935 120 K 3.9802 8.1974 117.3874 60.2539 32.3570 178.9037 121 M 3.5406 7.5386 116.8339 58.2662 31.9768 178.4744 122 R 4.0870 8.1052 117.8183 57.9582 30.2976 175.8717 123 N 4.6033 8.7538 121.4804 53.6297 39.1418 173.9967 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 4 K 8.31 4.29 0.00 1.88 1.89 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.47 7.81 5 L 8.26 4.42 0.00 1.72 1.62 0.91 0.50 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 A 9.03 4.60 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 7 L 8.18 4.49 0.00 1.59 1.57 0.92 0.88 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 8 K 7.80 4.23 0.00 1.68 1.69 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.55 7.81 9 T 8.22 4.04 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 1.20 0.00 0.00 10 I 7.85 4.13 1.55 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.25 -0.66 0.00 0.00 11 D 8.34 4.75 0.00 2.87 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 12 W 8.82 4.17 0.00 3.48 3.39 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 13 V 7.95 3.80 2.16 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 0.90 0.00 0.00 1.01 0.00 0.00 14 A 8.19 4.13 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 15 F 7.99 4.14 0.00 2.90 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 16 G 8.47 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 0.00 0.00 0.00 17 E 7.98 4.42 0.00 1.94 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 2.53 2.46 0.00 18 I 7.22 4.26 1.77 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 1.44 0.44 0.92 0.00 0.00 19 I 7.30 4.08 1.71 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.38 0.83 0.00 0.00 20 P 0.00 4.32 0.00 2.13 1.97 0.00 3.52 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 2.08 2.09 0.00 21 R 8.64 3.87 0.00 1.86 1.96 0.00 3.12 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 22 N 8.10 4.72 0.00 2.82 2.92 0.00 0.00 5.77 7.39 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 23 Q 8.35 4.49 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 24 K 7.75 3.80 0.00 1.93 1.94 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 25 A 8.23 3.89 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 26 V 7.82 3.45 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 1.17 0.00 0.00 0.94 0.00 0.00 27 A 8.15 4.23 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 28 N 8.75 4.33 0.00 2.93 2.95 0.00 0.00 6.69 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 29 S 8.23 4.25 0.00 3.91 4.03 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 30 L 8.45 4.11 0.00 2.30 2.05 1.03 0.84 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 31 K 8.45 3.97 0.00 2.26 1.79 0.00 1.43 0.00 0.00 0.61 0.00 0.00 2.98 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.63 1.88 7.81 32 S 8.20 4.23 0.00 4.13 4.15 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 33 W 8.50 4.54 0.00 3.50 3.30 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 34 N 8.13 4.41 0.00 3.06 3.07 0.00 0.00 7.30 6.96 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 35 E 8.18 3.77 0.00 2.07 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 2.09 2.03 0.00 36 T 8.51 3.70 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 0.91 0.00 0.00 37 L 8.42 3.54 0.00 1.49 1.44 0.42 0.22 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 38 T 8.00 3.76 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 1.16 0.00 0.00 39 S 8.29 4.20 0.00 3.74 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 40 R 8.08 3.79 0.00 1.83 1.96 0.00 3.09 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 41 L 7.98 4.01 0.00 1.82 1.67 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.69 4.17 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 43 T 7.94 4.55 4.22 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 1.24 0.00 0.00 44 L 7.01 4.31 0.00 1.76 1.67 0.90 1.00 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 45 P 0.00 4.38 0.00 2.38 2.05 0.00 3.80 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 1.99 1.99 0.00 46 E 8.33 3.94 0.00 1.99 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 0.00 2.33 2.34 0.00 47 K 7.56 4.72 0.00 1.73 1.73 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.43 7.81 48 P 0.00 4.61 0.00 2.12 2.02 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 49 P 0.00 4.16 0.00 2.03 2.02 0.00 3.96 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 50 A 8.22 4.32 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 51 I 7.73 4.23 0.70 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.35 -0.51 0.00 0.00 52 D 8.41 4.71 0.00 2.66 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 53 W 8.34 4.33 0.00 3.47 3.30 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 54 A 8.40 4.05 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 55 Y 7.74 4.14 0.00 2.87 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 56 Y 7.73 3.59 0.00 3.23 2.88 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 57 K 8.52 3.79 0.00 1.89 2.13 0.00 2.02 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 58 A 8.45 4.19 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 59 N 7.57 4.90 0.00 2.22 2.57 0.00 0.00 6.80 7.19 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 60 V 6.98 4.41 2.17 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 0.81 0.00 0.00 0.93 0.00 0.00 61 A 8.22 4.32 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 62 K 8.07 4.24 0.00 1.70 1.70 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.35 7.81 63 A 8.90 4.16 1.05 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 0.00 0.00 64 G 9.06 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 65 L 7.92 3.77 0.00 1.61 1.44 0.76 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.63 3.65 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 1.36 0.00 0.00 0.92 0.00 0.00 67 D 8.12 4.41 0.00 2.84 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 68 D 8.35 4.45 0.00 3.00 3.03 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 69 F 9.07 4.27 0.00 3.37 3.45 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 70 E 8.55 2.00 0.00 1.16 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 1.57 1.47 0.00 71 K 7.61 3.59 0.00 2.01 1.76 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.42 7.81 72 K 8.56 3.94 0.00 1.91 1.85 0.00 1.84 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.48 7.81 73 F 8.90 4.21 0.00 3.30 3.32 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 0.00 74 N 8.27 4.36 0.00 2.82 2.77 0.00 0.00 7.14 8.08 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 75 A 8.42 3.78 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 76 L 7.45 4.33 0.00 1.71 1.58 0.86 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.31 4.28 0.00 1.74 1.72 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.37 7.81 78 V 8.10 3.66 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 0.79 0.00 0.00 0.84 0.00 0.00 79 P 0.00 4.41 0.00 2.22 2.03 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 80 I 8.15 4.04 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 1.47 0.54 0.93 0.00 0.00 81 P 0.00 4.31 0.00 2.29 2.15 0.00 3.80 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 2.04 0.00 82 E 8.80 3.97 0.00 1.93 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 2.30 2.30 0.00 83 D 8.45 4.78 0.00 2.72 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 6.81 4.18 0.00 1.54 1.58 0.00 1.44 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.70 0.56 7.81 85 Y 7.85 4.64 0.00 3.01 3.09 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 86 T 7.99 4.28 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 1.24 0.00 0.00 87 A 7.92 5.30 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 88 Q 8.11 3.89 0.00 2.29 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.63 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 89 V 7.69 3.60 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 1.06 0.00 0.00 0.94 0.00 0.00 90 D 8.08 4.30 0.00 2.73 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 91 A 8.30 4.01 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 92 E 9.26 3.97 0.00 2.00 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 0.00 2.31 2.42 0.00 93 E 8.65 4.11 0.00 2.24 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 2.31 2.23 0.00 94 K 8.26 3.93 0.00 2.02 2.01 0.00 1.52 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.50 7.81 95 E 8.36 4.24 0.00 2.21 2.17 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 2.29 2.39 0.00 96 D 7.75 4.35 0.00 2.81 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 97 V 7.58 3.68 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 1.04 0.00 0.00 1.00 0.00 0.00 98 K 7.95 4.31 0.00 1.92 1.74 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.59 7.81 99 S 9.55 4.20 0.00 3.94 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 0.00 100 C 8.17 3.15 0.00 3.00 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 0.00 101 A 5.80 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 0.00 102 E 7.94 3.91 0.00 2.25 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 2.34 2.41 0.00 103 F 8.15 4.00 0.00 3.27 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 0.00 104 L 8.31 4.08 0.00 1.95 1.76 1.00 0.82 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 0.00 105 T 8.60 3.82 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 1.18 0.00 0.00 106 Q 7.74 3.84 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 107 S 7.86 3.81 0.00 2.94 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 0.00 108 K 8.04 3.89 0.00 2.02 1.81 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.50 7.81 109 T 7.57 3.81 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 1.17 0.00 0.00 110 R 8.13 3.86 0.00 1.83 1.70 0.00 3.09 0.00 0.00 3.07 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.34 0.00 111 I 8.00 3.89 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.91 1.03 0.00 0.00 112 Q 8.42 4.00 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 113 E 8.05 3.87 0.00 2.11 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 2.33 1.97 0.00 114 Y 7.43 4.64 0.00 3.35 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 0.00 115 E 8.52 4.01 0.00 2.24 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 2.39 2.58 0.00 116 K 8.66 3.90 0.00 1.77 1.97 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 117 E 9.51 4.01 0.00 2.30 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 0.00 2.38 2.44 0.00 118 L 7.83 4.22 0.00 1.84 1.72 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.48 3.81 0.00 2.19 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 2.32 2.42 0.00 120 K 8.20 3.98 0.00 1.79 1.87 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.54 7.81 121 M 7.54 3.54 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.56 0.00 122 R 8.11 4.09 0.00 1.79 2.20 0.00 3.20 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 123 N 8.75 4.60 0.00 2.74 2.65 0.00 0.00 6.81 7.44 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