NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5071 8.3044 120.6219 55.5454 33.5667 174.1492 2 V 4.3611 8.2278 125.8680 61.5526 33.8757 172.8947 3 T 4.8772 9.0201 123.8806 61.5795 71.8240 172.4410 4 L 4.7392 8.7884 128.7734 53.4448 44.4014 174.8089 5 Y 5.0625 8.9054 126.5910 57.6408 39.1616 175.0740 6 T 5.2174 8.9870 114.9543 59.9488 73.2758 172.8006 7 S 4.6771 8.2836 115.5904 56.4462 64.8251 172.3170 8 P 4.5040 0.0000 0.0000 63.1523 32.4313 176.5081 9 S 4.0066 8.8306 112.6293 58.5206 60.8402 168.5979 10 S 4.7192 7.3416 114.4097 56.6766 63.4795 174.9212 11 T 3.8764 8.5969 125.5132 66.7047 68.3030 176.7782 12 S 3.9889 8.0019 115.7406 61.6034 62.8825 176.2835 13 C 4.1045 7.8944 120.1283 62.5246 27.8390 175.9090 14 R 3.8341 7.8790 120.2778 59.3077 29.6141 178.7608 15 K 3.7123 8.0376 118.1484 59.1665 31.9030 179.2099 16 A 4.1340 7.7697 121.0133 55.1674 18.3188 179.5920 17 R 3.4773 8.1423 117.2300 59.5207 30.0844 178.5985 18 A 4.1740 8.1693 120.6103 54.8133 18.4619 179.4173 19 W 4.0095 8.4123 126.9562 60.5679 30.7583 178.2727 20 L 4.0595 8.2237 118.9243 57.8536 41.0381 179.3345 21 E 4.0745 8.3338 118.5219 59.5771 29.2459 179.1039 22 E 3.8943 8.2919 118.2688 58.8359 29.6169 177.5288 23 H 4.4034 7.3595 113.2626 54.1191 29.3365 174.6037 24 E 3.7348 7.6998 118.8026 57.4377 27.4015 174.8920 25 I 4.3874 7.8283 119.2352 59.3497 38.4087 175.1793 26 P 4.5586 0.0000 0.0000 62.7744 32.1790 175.4902 27 F 5.1945 8.1513 117.5945 55.9128 41.0063 173.5500 28 V 4.3105 8.8174 113.4021 59.5431 34.4586 174.2383 29 E 5.0605 8.8009 125.8480 54.7821 31.1887 174.8473 30 R 4.5855 8.7459 126.6205 54.5338 32.6830 174.9801 31 N 5.0229 8.7947 123.9551 52.5665 39.4161 175.3423 32 I 3.8424 8.6662 122.2088 64.1330 38.1833 178.8423 33 F 4.6983 8.3500 121.5161 60.4612 39.0486 177.0598 34 S 4.3173 8.4973 113.8120 60.6364 63.0784 173.7631 35 E 4.5104 8.1531 119.9321 53.0795 30.5594 173.3927 36 P 4.8643 0.0000 0.0000 61.3290 32.1843 176.6262 37 L 4.2072 8.0791 120.3306 54.7782 42.2047 178.2615 38 S 4.4639 9.0710 118.7174 57.6877 65.4384 175.6096 39 I 3.5699 8.1095 122.2857 64.6293 36.7667 178.4597 40 D 4.2913 7.9275 119.2434 57.2950 40.6916 178.5010 41 E 4.0019 8.1211 119.1924 59.3506 29.1994 179.4608 42 I 3.5739 7.3247 119.0550 64.2433 37.3338 178.3519 43 K 3.9144 7.6269 119.2546 59.1812 31.5689 179.1453 44 Q 3.9405 7.8615 119.0796 59.2183 29.2849 178.3097 45 I 3.8967 7.7049 120.6557 64.5066 37.2098 178.3502 46 L 4.0182 7.9276 119.3021 57.9257 41.2412 179.3700 47 R 3.9308 8.1377 117.9238 59.3415 30.0304 177.5569 48 M 4.3591 7.8497 116.1211 55.0037 32.5349 176.3544 49 T 4.3620 7.3627 112.3163 61.5695 70.3963 174.8208 50 E 4.5273 8.5215 117.0709 57.2139 31.6360 177.9098 51 D 4.5706 8.2636 117.6545 55.2388 42.5173 176.7473 52 G 4.0878 7.7893 105.0983 44.0452 0.0000 175.8948 53 T 3.9148 8.7859 109.9309 65.1158 68.4154 176.0629 54 D 4.4333 8.1442 119.9691 56.6703 40.8753 177.5938 55 E 4.2301 8.0461 118.7917 57.5024 30.0624 176.4607 56 I 4.5250 7.8170 110.5290 60.6797 40.1923 175.6707 57 I 4.4385 7.8618 124.2381 61.2211 38.1470 175.2809 58 S 4.7210 9.3503 122.9823 57.3139 62.7574 174.9479 59 T 3.9019 8.7688 118.4879 63.7657 69.0889 175.4762 60 R 4.2124 7.9110 116.7564 55.7477 29.7078 175.8369 61 S 4.1089 7.8822 114.3549 58.8528 62.3935 175.0708 62 K 3.7908 8.9594 127.8380 59.4183 32.1964 177.5963 63 V 4.1933 7.6610 116.8347 61.3792 32.0382 176.4879 64 F 4.4668 9.3678 123.5011 59.2792 39.1176 175.4395 65 Q 4.4623 7.7118 118.1398 56.7495 28.3645 174.5021 66 K 3.8748 8.5092 121.0454 55.9841 31.4958 175.0985 67 L 3.6567 8.1655 123.6667 51.5468 43.6570 177.4503 68 N 4.1767 7.3094 119.9187 52.6185 34.9660 172.9091 69 V 4.0916 8.0142 120.9174 61.6536 34.9659 173.8539 70 N 4.6636 8.5961 124.1503 51.7444 38.4149 174.8943 71 V 3.5915 8.6170 126.8375 66.1183 31.6305 178.1419 72 E 4.0312 8.4145 117.5258 58.6509 29.4224 177.7648 73 S 4.5148 7.8980 112.1839 58.9328 64.0927 174.5916 74 M 4.3014 7.3998 118.4529 53.8228 31.9163 174.2546 75 P 4.2705 0.0000 0.0000 62.1783 32.4597 176.9801 76 L 3.6170 8.7662 125.0840 58.7286 41.3363 179.3384 77 Q 3.6962 7.7799 116.8153 58.9867 28.5926 178.5173 78 D 4.3709 8.1429 120.1060 56.7965 40.7737 178.5450 79 L 3.9021 7.4754 120.7215 58.2426 42.1206 178.2194 80 Y 4.4149 7.5502 116.5790 61.4452 37.8333 179.0914 81 R 3.9446 7.8253 118.2523 59.0146 30.1515 178.8326 82 L 3.9672 7.8869 120.1639 58.3198 41.8949 179.1746 83 I 3.7519 7.9672 118.8586 64.3716 37.1013 177.5856 84 N 4.5363 8.2088 117.0951 56.7168 38.8195 176.3285 85 E 4.2883 8.0457 118.9243 57.4748 31.0338 176.4836 86 H 4.9058 8.3807 116.7531 52.3865 29.3067 171.9778 87 P 4.2549 0.0000 0.0000 65.2543 31.6421 178.6326 88 G 4.0596 8.2910 105.1313 47.2810 0.0000 174.3606 89 L 4.1455 8.3097 120.3975 56.5037 41.9923 176.4715 90 L 5.1818 7.2880 117.6632 52.8329 43.4606 177.0312 91 R 4.3938 8.8704 121.7262 56.7448 30.8138 176.0672 92 R 4.8105 8.1031 116.1322 54.2961 32.5016 172.8100 93 P 4.7670 0.0000 0.0000 62.9652 33.4050 174.7734 94 I 5.0219 8.7012 120.9545 59.6306 40.4143 174.6324 95 I 4.8305 9.0727 127.8985 59.4718 39.8207 174.5908 96 I 5.4124 8.6901 126.2018 60.1000 42.0487 173.5352 97 D 4.5658 8.7742 125.1079 52.5615 41.9141 173.8848 98 E 4.0896 9.2113 118.4615 59.4623 29.2972 178.4494 99 K 4.6659 8.1754 112.8589 55.7014 33.7094 175.8117 100 R 4.6144 8.7429 118.3539 54.2151 33.6982 173.9116 101 L 5.3766 8.2644 121.9797 53.5342 45.4349 175.1266 102 Q 4.5153 9.5596 127.0464 54.4070 32.2964 173.6159 103 V 4.4610 8.8366 126.8185 62.8202 32.9103 176.3125 104 G 4.0639 9.3694 113.5786 45.8166 0.0000 171.6023 105 Y 4.1639 8.1507 120.9945 56.6447 39.6257 175.2809 106 N 4.3710 7.4633 124.4851 50.9477 41.4083 173.9491 107 E 3.4552 8.2676 129.2263 59.4633 30.0321 178.0766 108 D 4.4084 7.9867 119.4343 57.9244 41.5597 178.3752 109 E 3.8685 8.9920 119.3855 61.2049 29.5796 180.7113 110 I 3.7096 7.5657 119.6018 63.6503 37.7768 177.9149 111 R 4.0463 7.4979 118.2729 59.0446 29.5924 178.7988 112 R 3.9506 7.6565 116.9806 58.5197 30.0316 177.9565 113 F 4.4135 8.1875 115.9346 57.2925 39.5431 175.9547 114 L 4.4172 7.4762 119.5362 53.9364 42.2109 175.3258 115 P 4.4799 0.0000 0.0000 63.1587 31.5367 176.0759 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 M 8.30 4.51 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 V 8.23 4.36 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 0.78 0.00 0.00 1.11 0.00 0.00 3 T 9.02 4.88 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 0.48 0.00 0.00 4 L 8.79 4.74 0.00 1.45 1.48 0.78 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 8.91 5.06 0.00 3.04 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 6 T 8.99 5.22 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 1.18 0.00 0.00 7 S 8.28 4.68 0.00 3.56 3.33 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 8 P 0.00 4.50 0.00 2.30 2.27 0.00 4.04 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.07 0.00 9 S 8.83 4.01 0.00 4.08 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 10 S 7.34 4.72 0.00 4.00 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 11 T 8.60 3.88 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 1.16 0.00 0.00 12 S 8.00 3.99 0.00 4.11 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 13 C 7.89 4.10 0.00 3.09 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 14 R 7.88 3.83 0.00 1.87 2.04 0.00 3.08 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 15 K 8.04 3.71 0.00 1.05 0.74 0.00 1.23 0.00 0.00 1.11 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.16 1.41 7.81 16 A 7.77 4.13 1.36 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 0.00 0.00 17 R 8.14 3.48 0.00 1.81 2.06 0.00 3.16 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 18 A 8.17 4.17 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 19 W 8.41 4.01 0.00 3.71 3.44 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 20 L 8.22 4.06 0.00 1.36 1.51 0.27 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.33 4.07 0.00 2.06 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 2.63 2.78 0.00 22 E 8.29 3.89 0.00 1.86 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 0.00 2.16 1.99 0.00 23 H 7.36 4.40 0.00 2.43 2.88 0.00 5.86 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 7.70 3.73 0.00 2.09 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 2.21 2.19 0.00 25 I 7.83 4.39 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.99 1.08 0.00 0.00 26 P 0.00 4.56 0.00 2.10 1.97 0.00 3.69 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 27 F 8.15 5.19 0.00 3.06 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 28 V 8.82 4.31 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 0.65 0.00 0.00 0.89 0.00 0.00 29 E 8.80 5.06 0.00 2.28 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 2.27 2.53 0.00 30 R 8.75 4.59 0.00 1.95 2.04 0.00 3.40 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 31 N 8.79 5.02 0.00 2.82 2.77 0.00 0.00 6.94 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 32 I 8.67 3.84 1.72 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.28 0.88 0.00 0.00 33 F 8.35 4.70 0.00 3.29 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 34 S 8.50 4.32 0.00 4.02 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 35 E 8.15 4.51 0.00 1.97 1.92 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 0.00 2.26 2.42 0.00 36 P 0.00 4.86 0.00 2.07 2.06 0.00 3.76 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.26 0.00 37 L 8.08 4.21 0.00 1.48 1.41 0.47 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 38 S 9.07 4.46 0.00 4.00 3.99 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 39 I 8.11 3.57 1.83 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.22 0.83 0.00 0.00 40 D 7.93 4.29 0.00 2.65 2.68 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 41 E 8.12 4.00 0.00 2.07 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 2.39 2.35 0.00 42 I 7.32 3.57 1.65 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 1.39 0.46 0.81 0.00 0.00 43 K 7.63 3.91 0.00 1.82 1.75 0.00 1.55 0.00 0.00 1.52 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.02 1.03 7.81 44 Q 7.86 3.94 0.00 2.15 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 45 I 7.70 3.90 1.97 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.90 0.93 0.00 0.00 46 L 7.93 4.02 0.00 1.70 1.78 1.13 0.88 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 47 R 8.14 3.93 0.00 1.87 2.16 0.00 3.26 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 1.65 1.69 0.00 48 M 7.85 4.36 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.55 0.00 49 T 7.36 4.36 4.45 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 1.30 0.00 0.00 50 E 8.52 4.53 0.00 1.98 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 2.16 2.11 0.00 51 D 8.26 4.57 0.00 2.85 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 52 G 7.79 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 53 T 8.79 3.91 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 1.25 0.00 0.00 54 D 8.14 4.43 0.00 2.67 2.81 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 55 E 8.05 4.23 0.00 2.01 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 2.32 2.32 0.00 56 I 7.82 4.52 1.88 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 1.35 0.99 0.93 0.00 0.00 57 I 7.86 4.44 2.00 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 1.51 0.89 1.22 0.00 0.00 58 S 9.35 4.72 0.00 3.98 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 59 T 8.77 3.90 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 1.11 0.00 0.00 60 R 7.91 4.21 0.00 1.95 2.08 0.00 3.09 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 61 S 7.88 4.11 0.00 4.21 4.18 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 62 K 8.96 3.79 0.00 1.90 2.01 0.00 1.51 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.60 7.81 63 V 7.66 4.19 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 0.83 0.00 0.00 64 F 9.37 4.47 0.00 3.01 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 65 Q 7.71 4.46 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 66 K 8.51 3.87 0.00 1.66 1.73 0.00 1.62 0.00 0.00 1.19 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.37 7.81 67 L 8.17 3.66 0.00 1.77 1.53 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 68 N 7.31 4.18 0.00 2.85 2.87 0.00 0.00 5.90 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 69 V 8.01 4.09 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 0.66 0.00 0.00 0.92 0.00 0.00 70 N 8.60 4.66 0.00 2.84 2.78 0.00 0.00 6.80 7.71 0.00 0.00 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 V 8.62 3.59 2.19 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 0.95 0.00 0.00 0.91 0.00 0.00 72 E 8.41 4.03 0.00 2.13 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 2.35 2.35 0.00 73 S 7.90 4.51 0.00 3.96 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 74 M 7.40 4.30 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.71 0.00 75 P 0.00 4.27 0.00 2.32 1.96 0.00 3.69 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 2.18 2.03 0.00 76 L 8.77 3.62 0.00 1.59 1.47 0.80 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 7.78 3.70 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 78 D 8.14 4.37 0.00 2.77 2.67 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 0.00 0.00 0.00 0.00 79 L 7.48 3.90 0.00 1.64 1.69 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.55 4.41 0.00 3.19 2.84 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 81 R 7.83 3.94 0.00 2.06 2.14 0.00 3.14 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 82 L 7.89 3.97 0.00 1.92 1.85 0.93 1.04 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 83 I 7.97 3.75 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 1.41 0.83 0.88 0.00 0.00 84 N 8.21 4.54 0.00 2.73 3.07 0.00 0.00 7.30 7.83 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 85 E 8.05 4.29 0.00 1.92 1.75 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 2.28 2.53 0.00 86 H 8.38 4.91 0.00 3.16 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.25 0.00 2.52 2.25 0.00 3.76 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.17 0.00 88 G 8.29 4.06 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 0.00 0.00 0.00 89 L 8.31 4.15 0.00 1.84 1.68 0.85 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.29 5.18 0.00 1.50 1.55 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.87 4.39 0.00 1.67 1.88 0.00 3.35 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 92 R 8.10 4.81 0.00 1.73 1.79 0.00 3.19 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 93 P 0.00 4.77 0.00 2.11 2.20 0.00 3.67 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 2.10 2.19 0.00 94 I 8.70 5.02 2.11 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 1.27 0.77 1.09 0.00 0.00 95 I 9.07 4.83 1.60 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 0.72 -0.04 0.00 0.00 96 I 8.69 5.41 2.00 0.00 0.00 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 1.37 1.85 1.02 0.00 0.00 97 D 8.77 4.57 0.00 2.76 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 98 E 9.21 4.09 0.00 1.95 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 0.00 2.31 2.44 0.00 99 K 8.18 4.67 0.00 1.71 1.72 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.41 7.81 100 R 8.74 4.61 0.00 1.77 1.22 0.00 3.01 0.00 0.00 3.49 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.40 0.00 101 L 8.26 5.38 0.00 1.61 1.50 1.00 0.72 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 0.00 102 Q 9.56 4.52 0.00 2.44 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.53 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 103 V 8.84 4.46 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 0.93 0.00 0.00 0.96 0.00 0.00 104 G 9.37 4.06 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 0.00 0.00 0.00 105 Y 8.15 4.16 0.00 3.01 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 0.00 106 N 7.46 4.37 0.00 2.55 2.36 0.00 0.00 6.79 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.27 3.46 0.00 1.94 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 2.35 2.54 0.00 108 D 7.99 4.41 0.00 2.76 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 0.00 109 E 8.99 3.87 0.00 1.97 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 2.25 2.20 0.00 110 I 7.57 3.71 1.27 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.16 0.88 -0.59 0.00 0.00 111 R 7.50 4.05 0.00 1.88 2.05 0.00 3.60 0.00 0.00 3.37 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 112 R 7.66 3.95 0.00 1.45 1.72 0.00 3.00 0.00 0.00 3.11 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 113 F 8.19 4.41 0.00 3.25 3.31 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 0.00 114 L 7.48 4.42 0.00 1.86 1.71 1.08 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.48 0.00 2.21 2.07 0.00 3.86 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00