NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3027 8.2649 123.5814 52.0628 20.5809 176.9546 2 T 4.4141 7.4506 110.4457 59.6044 70.4544 173.1283 3 S 4.2345 8.3661 119.6213 58.5984 64.4521 173.5045 4 T 4.5569 8.3512 113.8041 59.6670 71.1337 172.7738 5 K 4.7742 8.4354 128.0198 54.2944 35.0264 174.1204 6 K 4.4998 8.1693 117.2072 55.7310 34.9510 177.9306 7 L 3.3691 8.2790 123.4518 55.7286 40.9147 172.4824 8 H 4.6807 8.7321 118.0859 55.0196 30.5417 174.0230 9 K 4.7536 8.4394 126.8703 55.3570 33.3278 176.1419 10 E 5.0414 8.8277 123.6843 53.6521 33.3652 174.0083 11 P 4.8898 0.0000 0.0000 63.2723 32.6789 174.6031 12 A 4.9098 8.2843 120.9942 51.5598 22.9293 175.2416 13 T 4.5804 8.5331 113.4558 61.8709 72.3206 174.3333 14 L 4.5101 8.5293 127.3908 54.7690 41.3358 176.4798 15 I 4.0181 8.5082 126.5834 62.3354 37.8052 176.8033 16 K 4.2219 7.5491 123.2269 55.6439 34.7537 173.7741 17 A 4.3696 8.8181 131.6751 52.3615 18.5858 176.0841 18 I 4.1442 7.7673 123.4017 61.8715 38.6609 177.4493 19 D 5.2432 7.4686 122.9706 52.7640 43.7472 175.9759 20 G 4.2552 8.7914 107.7912 48.2337 0.0000 174.0823 21 D 5.0858 7.8786 118.8856 52.6490 40.9867 176.2802 22 T 5.1826 7.7351 115.2069 63.6914 73.2450 173.2409 23 V 4.8374 8.8181 119.1731 59.8820 37.0639 173.9499 24 K 5.3149 8.7012 124.3878 55.0992 33.5388 176.0534 25 L 5.9306 8.7247 123.5976 52.3703 46.6040 174.4898 26 M 4.9533 8.4839 118.9963 54.2992 34.8680 173.8574 27 Y 4.8330 8.7129 126.0869 56.0258 42.1210 175.3938 28 K 3.6724 9.3584 127.6881 57.3884 30.0432 174.4269 29 G 3.6973 8.7461 99.9816 46.2637 0.0000 175.2397 30 Q 4.4318 8.0853 121.9758 53.7317 31.7224 171.6426 31 P 5.0609 0.0000 0.0000 63.0019 32.0271 174.9834 32 M 4.8465 8.9994 124.0048 53.8121 36.8147 173.4820 33 T 4.8153 8.1527 115.1596 60.4914 69.3291 172.8963 34 F 5.4394 9.0172 127.7160 55.2286 41.5787 174.8196 35 R 5.1112 8.3185 121.9066 54.0646 32.4225 175.0089 36 L 3.9887 8.3138 126.1442 55.6118 40.8000 177.1716 37 L 4.3502 8.3676 122.4255 54.8273 43.1618 176.6695 38 L 4.9008 8.7618 118.3521 55.4558 39.0771 174.2975 39 V 4.9518 7.3971 108.8701 60.2221 36.2882 175.0294 40 D 4.7192 8.9923 123.4719 53.3058 43.7157 174.5734 41 T 4.4115 8.7421 117.5385 60.8026 69.4688 173.5221 42 P 4.3614 0.0000 0.0000 65.5018 32.3950 178.3631 43 E 3.8326 8.2727 120.2246 58.9196 29.8042 176.4586 44 T 3.7283 7.4312 109.3321 62.1407 69.1773 174.6671 45 K 4.6688 8.2237 126.8822 55.9795 32.5089 175.7937 46 H 4.3401 8.1473 119.4293 58.7977 29.3668 174.9939 47 P 4.7055 0.0000 0.0000 61.2504 32.8094 176.3521 48 K 4.2130 8.4437 116.4028 58.0072 31.7089 178.4819 49 K 3.6705 7.1522 117.5228 58.4653 32.2252 178.8935 50 G 3.8668 7.9220 103.9294 44.8050 0.0000 172.3379 51 V 4.4873 7.8294 117.7594 61.1486 31.2985 174.8723 52 E 3.9427 8.4716 128.0435 57.6417 29.6884 177.8676 53 K 4.5468 7.0555 116.6911 57.1853 33.7658 174.5992 54 Y 4.2596 8.2434 116.6022 57.8658 40.1049 173.4679 55 G 4.1181 8.3223 108.6684 44.6780 0.0000 171.6836 56 P 4.7978 0.0000 0.0000 61.7925 34.1724 175.9167 57 E 4.6920 8.4283 111.1026 55.7615 30.0238 177.0081 58 A 4.0305 8.1032 124.1553 55.6840 18.8977 179.1599 59 S 4.0486 8.3093 112.8145 62.1031 62.9314 176.9500 60 A 4.0223 7.9287 122.5770 55.2088 18.1288 178.8808 61 F 3.8111 8.3879 119.0248 62.3643 39.5081 177.6014 62 T 4.0866 8.1105 114.3043 66.2403 68.3624 175.8122 63 K 3.9659 8.0854 122.6771 59.5466 32.1971 178.7363 64 K 4.0614 8.3672 118.8926 59.6791 32.1415 178.2164 65 M 3.9179 7.9262 119.4655 58.6483 31.7589 178.3987 66 V 3.6821 7.9513 115.1359 64.3402 32.0738 178.2823 67 E 4.0903 7.9504 117.8447 59.0335 29.4006 178.2700 68 N 4.8108 7.9537 113.7224 52.4374 38.9797 174.9611 69 A 4.1505 7.5390 124.5485 52.2606 18.4295 178.5908 70 K 3.8253 8.8396 123.4008 59.2660 32.6887 178.0195 71 K 4.5660 7.9149 118.5583 55.1205 36.9245 175.0829 72 I 4.8260 8.5253 126.0770 59.8115 39.4424 174.7276 73 E 5.2963 8.7820 125.2947 54.5920 33.9778 175.2651 74 V 4.6388 8.6169 112.7998 59.7329 36.5212 174.6845 75 E 4.5969 8.6680 124.7047 54.1958 31.8383 174.8531 76 F 4.6513 8.8202 126.0258 57.6183 39.9469 175.8405 77 D 4.9204 8.6540 121.9985 53.4897 43.0381 175.3590 78 K 4.3974 8.6562 116.5718 58.2366 34.1007 179.3711 79 G 4.5779 7.8128 112.0117 44.6996 0.0000 172.5259 80 Q 4.2627 8.5991 123.8841 56.0625 29.8919 175.4809 81 R 4.5150 8.3847 116.9384 56.9217 31.4317 175.0062 82 T 5.6621 7.3307 104.8208 60.0583 72.2609 171.9005 83 D 4.8590 8.0544 121.0627 52.5627 43.1266 177.1996 84 K 3.9968 8.3962 117.7321 59.4703 32.5886 176.9518 85 Y 4.1864 7.8878 115.9394 57.8443 38.4713 176.3876 86 G 3.9328 8.0231 108.6002 44.8106 0.0000 174.1501 87 R 3.9274 7.6845 119.0027 56.0451 31.8001 175.8163 88 G 3.6829 8.1108 110.2097 45.4460 0.0000 172.4008 89 L 5.1091 8.0727 124.9819 53.1941 43.2400 176.0141 90 A 4.1762 7.9362 121.9460 50.9273 22.2210 175.2393 91 Y 4.1471 7.9771 119.6971 58.0955 39.0180 175.6990 92 I 4.5364 7.9755 124.7580 61.1043 39.1949 174.6207 93 Y 5.2654 8.4918 120.4797 56.7394 43.2782 174.5847 94 A 5.1731 9.1417 121.3776 52.7506 22.5830 176.6444 95 D 4.2145 9.9694 121.0916 55.3334 38.5504 174.4337 96 G 3.9391 8.6745 105.6366 45.5525 0.0000 173.3339 97 K 4.5407 8.0243 119.6679 53.8183 34.8979 174.9483 98 M 3.9264 8.5999 125.1036 54.6631 32.7420 176.7208 99 V 3.6203 7.9123 127.6472 66.1867 31.6839 177.4499 100 N 4.2605 7.9401 115.5008 56.5446 38.5749 176.8000 101 E 4.0663 8.1057 118.9782 58.2711 29.8689 178.4222 102 A 4.0331 7.9416 121.2878 55.4560 18.6480 179.5013 103 L 3.2519 7.7655 117.1538 57.7830 41.4916 180.1105 104 V 3.6931 7.6233 117.3709 65.5440 31.1742 177.8832 105 R 3.9712 7.8114 117.8096 58.4462 29.9906 176.6995 106 Q 4.2710 7.5451 115.2146 54.9001 29.3658 175.4595 107 G 4.2641 7.4580 104.9400 46.7608 0.0000 173.8053 108 L 4.5264 8.1374 117.5317 55.3025 44.5864 178.7517 109 A 4.7471 7.8689 118.2486 50.0337 21.4722 176.1154 110 K 4.5909 8.2257 120.2348 54.6459 34.2217 176.6554 111 V 4.2680 8.2409 123.9860 63.3165 32.4974 175.2132 112 A 3.9813 8.5814 125.6283 53.2424 24.1681 174.1022 113 Y 4.2179 8.3264 112.3031 58.8178 34.3587 168.5921 114 V 4.2839 7.3403 117.8071 61.1572 33.2560 174.9027 115 Y 4.5609 8.1691 125.1154 55.1006 38.9384 175.0056 116 K 4.3373 8.4733 123.2534 56.2212 32.9187 174.3441 117 P 4.7905 0.0000 0.0000 63.6452 32.3102 177.0889 118 N 5.0200 7.8249 118.1591 51.9307 37.2591 175.9115 119 N 5.0139 8.0283 114.4938 52.9505 38.4842 177.7175 120 T 3.8105 8.0800 118.7128 67.8253 69.0367 175.0679 121 H 4.6313 7.7778 118.7915 54.8815 28.2909 175.5678 122 E 4.2375 8.2053 121.9106 58.7081 30.2006 177.1933 123 Q 4.0516 7.9055 117.7491 58.4021 29.0447 177.9662 124 L 3.9442 7.7903 120.9790 58.0651 42.2810 178.8955 125 L 3.9715 7.5738 117.6134 57.8975 41.6209 179.3919 126 R 3.9045 7.9151 118.3892 59.1405 29.9908 178.4470 127 K 3.8334 7.9463 119.7364 59.5832 32.3097 178.9939 128 S 4.1181 7.8698 113.9218 61.3972 62.8005 176.0436 129 E 3.8163 8.1357 122.8714 58.9272 29.3362 178.5998 130 A 3.7620 7.7636 121.0430 54.9062 18.3778 179.4376 131 Q 3.7703 7.8592 117.6260 59.1621 29.0101 178.1698 132 A 3.9423 7.7742 121.5172 54.3513 18.1616 179.8338 133 K 2.9792 6.9520 117.2987 58.9218 31.8966 179.6342 134 K 3.9668 7.4823 117.9176 59.8005 32.6431 178.6999 135 E 4.0241 8.0041 118.3391 56.1877 30.7609 176.5869 136 K 4.4278 7.1976 117.0166 56.3331 29.5860 175.2658 137 L 4.5852 7.9120 119.2620 54.2215 44.5367 175.9565 138 N 4.4815 8.1377 126.0702 54.1853 36.8531 177.3092 139 I 2.0000 7.5760 126.9958 64.4967 37.1261 175.5177 140 W 4.6375 7.3513 120.3063 56.9453 28.9667 176.8825 141 S 4.9949 7.6679 108.4458 58.2868 63.0764 174.3273 142 E 4.2936 8.1226 121.0887 57.2576 30.5108 177.0081 143 D 4.7539 8.1025 118.8052 53.1807 39.6740 176.5009 144 N 4.5567 7.9669 116.4756 53.2423 37.2537 173.9774 145 A 4.5925 8.0993 122.0628 53.7778 21.4538 177.9124 146 D 4.3343 8.1091 114.0742 55.6247 41.3023 175.3041 147 S 3.8157 8.0031 116.6241 56.9059 63.0621 170.7918 148 G 4.3166 7.8597 114.8124 45.4855 0.0000 173.0694 149 Q 4.1455 8.7211 121.8713 56.1343 28.7966 176.0021 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 1 A 8.26 4.30 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 2 T 7.45 4.41 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 3 S 8.37 4.23 0.00 3.96 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 4 T 8.35 4.56 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 5 K 8.44 4.77 0.00 1.65 1.69 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.22 1.31 7.81 6 K 8.17 4.50 0.00 1.66 1.59 0.00 1.85 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.47 7.81 7 L 8.28 3.37 0.00 1.98 1.76 1.07 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.73 4.68 0.00 3.19 3.33 0.00 5.72 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.44 4.75 0.00 1.63 1.70 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.13 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.36 1.34 7.81 10 E 8.83 5.04 0.00 2.32 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 2.48 2.75 0.00 11 P 0.00 4.89 0.00 2.08 2.07 0.00 3.83 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 1.98 1.98 0.00 12 A 8.28 4.91 1.21 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 13 T 8.53 4.58 4.34 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 1.23 0.00 0.00 14 L 8.53 4.51 0.00 1.64 1.62 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.51 4.02 2.05 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 1.15 0.71 0.94 0.00 0.00 16 K 7.55 4.22 0.00 1.84 1.64 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.46 7.81 17 A 8.82 4.37 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 18 I 7.77 4.14 1.88 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 1.31 0.78 0.90 0.00 0.00 19 D 7.47 5.24 0.00 2.63 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 20 G 8.79 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 0.00 0.00 0.00 0.00 21 D 7.88 5.09 0.00 2.81 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 22 T 7.74 5.18 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 1.21 0.00 0.00 23 V 8.82 4.84 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 0.89 0.00 0.00 0.97 0.00 0.00 24 K 8.70 5.31 0.00 1.80 1.80 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.41 7.81 25 L 8.72 5.93 0.00 1.63 1.73 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.48 4.95 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.58 0.00 27 Y 8.71 4.83 0.00 3.33 3.01 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 28 K 9.36 3.67 0.00 1.41 1.70 0.00 0.88 0.00 0.00 1.57 0.00 0.00 2.57 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.20 1.09 7.81 29 G 8.75 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 0.00 0.00 0.00 30 Q 8.09 4.43 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.99 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 31 P 0.00 5.06 0.00 2.17 2.14 0.00 3.81 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 32 M 9.00 4.85 0.00 1.86 1.97 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.30 0.00 33 T 8.15 4.82 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 1.12 0.00 0.00 34 F 9.02 5.44 0.00 3.07 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 35 R 8.32 5.11 0.00 1.70 1.70 0.00 3.49 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.73 0.00 36 L 8.31 3.99 0.00 1.60 1.63 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.37 4.35 0.00 1.10 1.43 0.67 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.76 4.90 0.00 2.05 1.88 1.22 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.40 4.95 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 0.82 0.00 0.00 1.01 0.00 0.00 40 D 8.99 4.72 0.00 2.71 2.42 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 41 T 8.74 4.41 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 1.27 0.00 0.00 42 P 0.00 4.36 0.00 2.24 2.29 0.00 3.66 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 2.05 1.86 0.00 43 E 8.27 3.83 0.00 2.07 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 2.38 2.35 0.00 44 T 7.43 3.73 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 1.39 0.00 0.00 45 K 8.22 4.67 0.00 1.83 1.83 0.00 1.57 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.25 1.34 7.81 46 H 8.15 4.34 0.00 3.13 3.30 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.71 0.00 2.27 2.26 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 48 K 8.44 4.21 0.00 1.79 1.92 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.48 7.81 49 K 7.15 3.67 0.00 1.82 1.86 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.58 7.81 50 G 7.92 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 51 V 7.83 4.49 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 0.99 0.00 0.00 1.02 0.00 0.00 52 E 8.47 3.94 0.00 1.99 1.93 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 2.30 2.22 0.00 53 K 7.06 4.55 0.00 1.72 1.78 0.00 1.48 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.15 1.27 7.81 54 Y 8.24 4.26 0.00 2.87 2.79 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 0.00 0.00 0.00 55 G 8.32 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 56 P 0.00 4.80 0.00 2.23 2.18 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 57 E 8.43 4.69 0.00 2.08 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 2.32 2.30 0.00 58 A 8.10 4.03 1.32 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 0.00 0.00 59 S 8.31 4.05 0.00 3.90 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 0.00 60 A 7.93 4.02 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 61 F 8.39 3.81 0.00 3.18 3.20 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 62 T 8.11 4.09 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 1.25 0.00 0.00 63 K 8.09 3.97 0.00 2.02 1.74 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.64 7.81 64 K 8.37 4.06 0.00 1.78 1.73 0.00 1.70 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.40 7.81 65 M 7.93 3.92 0.00 2.19 1.88 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 66 V 7.95 3.68 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 1.03 0.00 0.00 67 E 7.95 4.09 0.00 2.15 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 2.34 2.45 0.00 68 N 7.95 4.81 0.00 2.87 2.83 0.00 0.00 7.10 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 69 A 7.54 4.15 1.32 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 0.00 0.00 70 K 8.84 3.83 0.00 1.78 1.89 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.60 1.71 7.81 71 K 7.91 4.57 0.00 1.45 1.66 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.57 7.81 72 I 8.53 4.83 1.87 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 1.34 1.01 0.87 0.00 0.00 73 E 8.78 5.30 0.00 1.97 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 2.22 2.27 0.00 74 V 8.62 4.64 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 0.36 0.00 0.00 0.86 0.00 0.00 75 E 8.67 4.60 0.00 2.23 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 0.00 2.39 2.37 0.00 76 F 8.82 4.65 0.00 3.07 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 77 D 8.65 4.92 0.00 2.81 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 78 K 8.66 4.40 0.00 1.95 1.98 0.00 1.69 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.48 7.81 79 G 7.81 4.58 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 0.00 0.00 0.00 80 Q 8.60 4.26 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 81 R 8.38 4.51 0.00 1.73 1.77 0.00 2.87 0.00 0.00 2.77 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.36 0.00 82 T 7.33 5.66 4.35 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 1.14 0.00 0.00 83 D 8.05 4.86 0.00 2.72 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 84 K 8.40 4.00 0.00 1.47 1.71 0.00 0.91 0.00 0.00 1.43 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.21 0.64 7.81 85 Y 7.89 4.19 0.00 2.94 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 86 G 8.02 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 0.00 0.00 0.00 87 R 7.68 3.93 0.00 1.71 1.75 0.00 3.03 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 88 G 8.11 3.68 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 89 L 8.07 5.11 0.00 1.58 1.53 0.98 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.94 4.18 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 91 Y 7.98 4.15 0.00 3.14 2.76 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 0.00 0.00 0.00 92 I 7.98 4.54 1.75 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 1.00 1.06 0.91 0.00 0.00 93 Y 8.49 5.27 0.00 2.96 2.83 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 94 A 9.14 5.17 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 95 D 9.97 4.21 0.00 2.86 2.79 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 0.00 0.00 0.00 96 G 8.67 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 0.00 0.00 0.00 97 K 8.02 4.54 0.00 2.01 1.67 0.00 1.55 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.42 7.81 98 M 8.60 3.93 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.49 0.00 99 V 7.91 3.62 1.99 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 1.11 0.00 0.00 0.88 0.00 0.00 100 N 7.94 4.26 0.00 2.85 2.91 0.00 0.00 6.95 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 0.00 101 E 8.11 4.07 0.00 2.01 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 2.37 2.36 0.00 102 A 7.94 4.03 1.58 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 0.00 0.00 103 L 7.77 3.25 0.00 1.63 1.51 0.99 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.62 3.69 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 1.07 0.00 0.00 1.08 0.00 0.00 105 R 7.81 3.97 0.00 1.98 2.12 0.00 3.46 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 106 Q 7.55 4.27 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.67 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 107 G 7.46 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 0.00 0.00 0.00 0.00 108 L 8.14 4.53 0.00 1.40 1.50 0.67 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.87 4.75 1.17 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 0.00 0.00 110 K 8.23 4.59 0.00 1.65 1.70 0.00 1.50 0.00 0.00 1.13 0.00 0.00 2.63 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.17 1.15 7.81 111 V 8.24 4.27 2.32 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 0.76 0.00 0.00 1.00 0.00 0.00 112 A 8.58 3.98 0.96 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 0.00 113 Y 8.33 4.22 0.00 3.31 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 0.00 114 V 7.34 4.28 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 0.96 0.00 0.00 1.03 0.00 0.00 115 Y 8.17 4.56 0.00 3.15 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 0.00 116 K 8.47 4.34 0.00 1.79 1.83 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.49 7.81 117 P 0.00 4.79 0.00 2.23 2.17 0.00 3.81 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 2.00 2.02 0.00 118 N 7.82 5.02 0.00 3.17 2.92 0.00 0.00 6.67 7.24 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 0.00 119 N 8.03 5.01 0.00 2.88 3.03 0.00 0.00 6.09 7.25 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 0.00 120 T 8.08 3.81 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 1.07 0.00 0.00 121 H 7.78 4.63 0.00 2.67 3.08 0.00 5.61 0.00 0.00 0.00 0.00 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.21 4.24 0.00 2.25 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 2.28 2.39 0.00 123 Q 7.91 4.05 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 124 L 7.79 3.94 0.00 1.82 1.70 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.57 3.97 0.00 1.89 1.73 1.07 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 126 R 7.92 3.90 0.00 2.16 1.91 0.00 3.24 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 127 K 7.95 3.83 0.00 2.00 1.96 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.45 7.81 128 S 7.87 4.12 0.00 4.07 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 0.00 129 E 8.14 3.82 0.00 2.06 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 0.00 2.07 2.42 0.00 130 A 7.76 3.76 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 0.00 131 Q 7.86 3.77 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 132 A 7.77 3.94 1.21 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 0.00 133 K 6.95 2.98 0.00 1.44 1.42 0.00 0.95 0.00 0.00 1.16 0.00 0.00 2.75 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.52 0.21 7.81 134 K 7.48 3.97 0.00 1.86 1.84 0.00 1.54 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.44 7.81 135 E 8.00 4.02 0.00 1.97 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 2.32 2.46 0.00 136 K 7.20 4.43 0.00 1.88 2.02 0.00 1.80 0.00 0.00 1.51 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.59 7.81 137 L 7.91 4.59 0.00 1.77 1.80 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 138 N 8.14 4.48 0.00 3.08 1.90 0.00 0.00 7.35 7.24 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 0.00 139 I 7.58 2.00 0.76 0.00 0.00 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 0.88 -0.36 -0.02 0.00 0.00 140 W 7.35 4.64 0.00 3.38 3.16 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 0.00 141 S 7.67 4.99 0.00 4.14 4.34 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 0.00 142 E 8.12 4.29 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 2.36 2.33 0.00 143 D 8.10 4.75 0.00 2.62 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 0.00 144 N 7.97 4.56 0.00 2.77 2.81 0.00 0.00 7.02 7.36 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 0.00 145 A 8.10 4.59 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 0.00 146 D 8.11 4.33 0.00 2.69 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 0.00 147 S 8.00 3.82 0.00 3.99 3.84 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 0.00 0.00 0.00 0.00 148 G 7.86 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 0.00 0.00 0.00 0.00 149 Q 8.72 4.15 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00