NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3956 8.3044 120.3508 55.4839 33.3725 174.7973 2 E 4.3240 8.4777 125.8116 54.6856 32.0980 172.5288 3 L 4.5643 9.3190 128.0099 53.5008 44.0023 175.4948 4 I 4.4765 8.3050 123.8419 59.3869 39.2041 174.7836 5 R 4.6948 8.6373 125.1088 54.3612 31.6701 174.8951 6 F 5.0752 8.2634 118.8597 55.2002 41.1678 173.9152 7 S 4.7392 8.5697 117.5393 56.9111 64.8861 173.7564 8 I 4.6813 7.8065 114.9361 59.2603 40.4365 174.7464 9 S 4.6378 8.6001 117.6420 57.0140 64.3740 173.7059 10 I 4.4549 7.9452 125.8209 58.2976 39.7168 174.4548 11 P 4.2521 0.0000 0.0000 62.7673 31.9365 177.3591 12 S 4.1296 8.9107 119.0475 62.0625 62.5838 176.9797 13 K 4.0044 7.9768 121.1744 58.6269 31.8031 179.0747 14 L 3.9182 7.8026 120.4073 57.9719 42.1405 178.5661 15 L 3.9878 8.2953 120.7356 58.2513 42.0678 178.3751 16 E 3.9928 8.5119 119.6088 59.2879 29.4454 178.8323 17 K 3.9696 8.1405 119.6453 59.2765 32.2178 178.3830 18 F 4.2562 8.4368 121.1720 61.5387 39.1886 176.4718 19 D 4.1211 8.5818 118.6775 57.5273 40.5625 178.7200 20 Q 3.9673 7.9413 119.6221 59.4337 28.8862 178.8912 21 I 3.7232 7.8027 120.6171 64.3949 37.1976 178.4996 22 I 3.6098 7.5086 113.7590 63.5651 36.7126 177.8922 23 E 3.8583 7.7862 121.6570 59.0907 29.3312 177.8360 24 E 3.8014 7.5385 117.9167 59.5324 29.7435 178.3916 25 I 3.9368 7.7675 118.4182 65.5416 37.3801 175.8208 26 G 3.2919 6.9144 107.7196 45.0255 0.0000 173.3679 27 Y 4.0777 7.9505 119.4536 57.8678 38.4152 176.2856 28 E 4.2121 8.8381 123.3096 58.5087 29.7863 176.5319 29 N 5.1172 7.7116 113.7707 49.9810 40.8650 175.1103 30 R 3.8647 8.4783 118.3583 59.3199 30.1286 178.5267 31 S 4.1007 8.1083 114.6968 61.6324 62.8172 175.7495 32 E 3.9454 9.8099 122.4970 59.5943 29.3290 178.6284 33 A 3.7709 7.6722 119.5474 55.4677 18.2633 179.7450 34 I 3.7265 8.2650 118.4702 64.4257 37.0402 178.9454 35 R 3.9838 8.5783 119.4778 59.3488 29.9273 178.6626 36 D 4.4326 8.5238 118.9888 57.3987 40.8706 178.8307 37 L 4.0138 8.1152 119.2741 57.9804 41.6538 179.5977 38 I 3.7687 7.9739 119.5739 64.5663 37.0726 178.5121 39 R 3.9981 8.7674 119.2878 59.5268 29.8721 178.5484 40 D 4.3595 8.7981 117.8700 57.3025 41.3392 177.9489 41 F 4.1639 8.7723 121.4890 61.5538 39.3683 177.2098 42 I 3.6595 8.3866 119.7643 64.3713 36.6499 178.5523 43 I 4.1140 7.6294 121.2059 63.9139 37.2474 178.3703 44 R 4.0257 8.2722 119.2639 59.5156 29.8148 178.5350 45 H 4.0563 7.9218 117.6883 59.2430 29.3933 176.6866 46 E 4.1077 8.2624 122.4339 58.4043 29.0757 178.7124 47 W 4.0611 8.1424 117.7866 58.8675 29.4017 178.0782 48 E 4.1607 8.3433 117.8021 57.6872 30.1911 177.6925 49 V 3.9722 8.0853 121.3666 66.6354 30.1523 177.3203 50 G 3.5747 6.2347 109.7489 47.1819 0.0000 172.6669 51 N 4.9343 10.5451 115.7040 52.4765 40.1027 173.3267 52 E 5.6884 8.3433 130.9393 55.5928 31.1961 176.0732 53 E 4.0139 8.3116 125.0586 57.2759 30.6776 176.0120 54 V 4.5661 8.7237 118.6366 59.5555 36.7805 173.9910 55 A 5.2572 8.6237 121.7023 50.7906 22.7713 175.2080 56 G 4.5428 9.1784 106.5459 45.7893 0.0000 172.1919 57 T 5.5939 8.5934 109.5291 59.7023 71.7619 173.5066 58 I 4.4061 8.5010 128.7029 60.9142 38.5054 174.9454 59 T 5.1036 8.9531 125.6471 61.8728 70.5172 174.2237 60 I 5.2205 9.1473 119.2024 59.2263 41.8953 174.2236 61 V 4.8515 8.6267 122.9144 61.5240 34.8971 173.8826 62 Y 5.0688 8.0988 123.9312 56.4449 42.1191 172.3596 63 N 5.7424 9.0445 118.3253 51.4578 40.1544 175.2617 64 H 4.4410 9.3305 122.4546 58.6518 29.1013 175.8899 65 D 4.5598 7.9302 117.5927 54.5333 40.6803 175.6120 66 E 4.3874 7.7715 121.5080 55.5822 32.0669 176.9003 67 G 4.0812 7.4963 108.5987 46.0778 0.0000 175.5807 68 D 4.8328 8.0818 125.6531 53.4008 40.8229 179.4319 69 V 3.3077 7.3670 121.4512 64.7283 31.5247 177.7222 70 V 3.3597 7.8372 119.7197 65.3513 31.1176 177.7599 71 K 3.9309 8.3063 118.7712 59.3191 32.1856 178.2538 72 A 3.9712 8.0307 120.6441 55.4189 18.1166 179.3691 73 L 3.8865 8.4548 117.3306 57.9236 41.6290 179.6531 74 L 4.0254 7.4700 117.4133 58.0243 41.3982 179.0551 75 D 4.6677 7.9432 117.1868 57.6004 41.1279 178.6100 76 L 4.2568 7.9262 118.9532 58.3045 41.7316 179.7627 77 Q 4.1149 8.5916 117.9125 59.4443 28.5358 178.4720 78 H 4.3496 9.0682 115.9494 57.4640 28.8562 176.5080 79 E 4.1458 8.0560 120.4064 57.0964 30.9762 175.4192 80 Y 4.7859 7.9527 115.6495 57.2935 38.4533 176.7398 81 L 4.0806 7.8356 120.2008 57.8449 42.4885 179.2090 82 D 4.5443 8.0629 117.0562 56.2342 41.5216 177.0101 83 E 4.8053 8.1086 117.4436 57.1736 30.5360 176.2699 84 I 4.4636 7.6406 119.6537 61.1502 37.9472 175.5292 85 I 4.2282 8.5945 127.5035 62.3189 37.8110 176.2531 86 S 4.8063 7.2107 114.2027 57.9093 65.2034 175.1979 87 S 5.2277 8.8369 115.0943 56.5512 65.9664 172.6727 88 L 4.8317 8.4926 122.9980 53.6887 44.5943 174.5430 89 H 5.2776 8.7074 123.9147 54.3911 33.0937 172.3552 90 V 4.3673 8.7251 125.0074 61.3723 34.7194 174.2725 91 H 4.9751 8.7252 125.1032 54.8381 28.5067 175.0550 92 M 4.2694 8.5454 125.9485 58.0597 32.3569 176.1611 93 D 4.4713 7.3409 115.7870 52.8894 41.2788 174.3992 94 E 4.0534 8.9569 117.8568 59.2123 30.2320 178.0730 95 H 4.8998 9.9712 115.5838 56.2379 32.4180 173.6930 96 N 5.3120 8.4948 114.9829 52.2158 40.6300 174.2318 97 C 5.0891 9.0294 120.0982 57.6867 32.2022 172.5285 98 L 4.9270 8.6187 124.2110 53.1810 44.3481 174.7313 99 E 5.1727 9.3579 127.1197 54.2514 33.5942 174.7533 100 V 4.8529 8.7698 125.3957 60.0149 34.0559 174.4664 101 I 4.4168 8.8629 127.9340 60.5762 38.8397 175.2310 102 V 4.7774 8.3823 126.1906 61.2605 33.3856 174.5941 103 V 5.0091 8.8411 127.7245 61.1457 35.1616 174.1802 104 K 4.8589 9.6008 126.7811 54.0094 35.7099 176.3095 105 G 4.0506 8.0752 114.4115 44.6641 0.0000 170.3888 106 E 4.0472 8.1090 119.8417 55.8512 30.6674 176.9759 107 A 3.2201 8.2940 126.3612 55.2152 18.0683 179.6538 108 K 3.8447 7.1121 114.8286 59.6170 32.4651 178.9109 109 K 3.9873 8.0349 119.0613 59.9108 32.0892 178.2437 110 I 3.6729 7.8134 119.6209 64.6956 37.1214 178.5873 111 K 4.1115 8.3860 119.1141 59.6120 31.8278 179.0987 112 M 4.0582 8.0361 118.6265 58.4568 32.0699 178.3730 113 I 3.2309 7.4660 119.2340 64.2981 37.2984 177.9615 114 A 3.9647 7.9342 121.4510 55.3169 18.1370 179.5080 115 D 4.2646 8.0906 117.2374 57.6069 40.7432 179.1699 116 K 4.0392 7.9204 117.6277 59.1720 32.2621 179.3501 117 L 4.1309 8.0866 119.4005 57.8775 41.5675 179.5104 118 L 4.0695 7.9907 117.6872 57.4723 41.6594 178.5222 119 S 4.3941 7.7151 110.7319 58.7100 63.7272 174.5350 120 L 4.0058 7.7803 123.5205 54.7548 41.8634 177.4837 121 K 3.7779 9.1178 125.5381 59.7402 31.9659 177.8563 122 G 3.6593 7.9267 104.7029 46.2081 0.0000 173.4018 123 V 4.0077 7.5925 120.4508 61.9145 31.0524 175.7977 124 K 4.1219 8.6478 128.5702 59.2710 32.3939 177.3869 125 H 5.0106 7.8753 113.4993 53.7791 33.5555 173.0024 126 G 5.1265 7.9349 109.2461 46.2979 0.0000 172.2163 127 K 4.7815 7.9302 123.9314 54.3386 36.3157 174.1269 128 L 4.8245 8.4775 127.5126 53.4192 43.9923 175.3768 129 V 4.1240 8.1837 126.0128 61.4122 33.4786 174.3435 130 M 3.6632 8.1141 128.5839 54.6549 31.9531 174.9781 131 T 4.7897 8.4836 122.8706 61.0937 70.7681 171.5271 132 S 4.9516 8.8550 113.9887 57.1331 65.6574 174.3402 133 T 4.4232 8.4959 109.2913 60.7765 69.2104 174.6636 134 G 4.3506 7.8510 115.3990 46.5063 0.0000 176.5272 135 K 4.0451 7.0090 119.8055 58.5396 32.4195 176.4158 136 E 4.6397 8.1273 113.9066 55.6754 29.8516 174.9697 137 L 4.7406 8.0660 119.8006 54.1187 44.2890 177.0680 138 V 4.0224 7.9837 111.6688 62.4175 32.4376 173.5524 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 4.40 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.61 0.00 2 E 8.48 4.32 0.00 2.01 1.78 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 2.21 2.41 0.00 3 L 9.32 4.56 0.00 1.70 1.62 0.94 0.90 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 4 I 8.31 4.48 1.93 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 0.60 0.99 0.00 0.00 5 R 8.64 4.69 0.00 1.77 1.84 0.00 3.18 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 6 F 8.26 5.08 0.00 3.16 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 7 S 8.57 4.74 0.00 3.88 3.78 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 8 I 7.81 4.68 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.59 0.99 0.00 0.00 9 S 8.60 4.64 0.00 3.83 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 10 I 7.95 4.45 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.76 0.84 0.00 0.00 11 P 0.00 4.25 0.00 2.13 1.98 0.00 3.58 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 2.08 2.12 0.00 12 S 8.91 4.13 0.00 4.04 4.16 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 13 K 7.98 4.00 0.00 1.79 1.90 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.43 7.81 14 L 7.80 3.92 0.00 1.73 1.88 0.89 0.47 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 15 L 8.30 3.99 0.00 1.76 1.80 1.02 0.78 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 16 E 8.51 3.99 0.00 2.11 2.14 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 2.32 2.33 0.00 17 K 8.14 3.97 0.00 1.96 2.08 0.00 1.61 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.54 7.81 18 F 8.44 4.26 0.00 3.13 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 19 D 8.58 4.12 0.00 2.76 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 20 Q 7.94 3.97 0.00 2.22 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 21 I 7.80 3.72 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.61 0.90 0.00 0.00 22 I 7.51 3.61 1.54 0.00 0.00 0.50 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 0.39 -0.14 0.00 0.00 23 E 7.79 3.86 0.00 1.98 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 2.29 2.29 0.00 24 E 7.54 3.80 0.00 1.94 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 2.41 0.00 25 I 7.77 3.94 2.06 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.82 0.98 0.00 0.00 26 G 6.91 3.29 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 27 Y 7.95 4.08 0.00 2.95 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 28 E 8.84 4.21 0.00 1.98 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 0.00 2.30 2.28 0.00 29 N 7.71 5.12 0.00 2.89 2.87 0.00 0.00 5.91 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.48 3.86 0.00 1.88 1.97 0.00 3.22 0.00 0.00 3.42 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.99 0.00 31 S 8.11 4.10 0.00 4.15 3.92 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 0.00 0.00 0.00 32 E 9.81 3.95 0.00 2.05 2.29 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 2.48 2.73 0.00 33 A 7.67 3.77 0.78 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 0.00 0.00 34 I 8.26 3.73 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.92 0.90 0.00 0.00 35 R 8.58 3.98 0.00 2.11 2.05 0.00 3.20 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 36 D 8.52 4.43 0.00 3.05 2.87 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 37 L 8.12 4.01 0.00 1.87 1.71 0.72 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.97 3.77 2.09 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.89 1.00 0.00 0.00 39 R 8.77 4.00 0.00 2.13 2.06 0.00 3.19 0.00 0.00 3.50 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 40 D 8.80 4.36 0.00 2.85 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 41 F 8.77 4.16 0.00 3.12 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 42 I 8.39 3.66 2.10 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 1.61 0.73 0.95 0.00 0.00 43 I 7.63 4.11 2.08 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 1.63 1.36 1.00 0.00 0.00 44 R 8.27 4.03 0.00 1.89 1.92 0.00 3.15 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 45 H 7.92 4.06 0.00 2.89 3.34 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.26 4.11 0.00 2.36 2.23 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 2.24 2.41 0.00 47 W 8.14 4.06 0.00 3.48 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 48 E 8.34 4.16 0.00 1.97 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 2.38 2.49 0.00 49 V 8.09 3.97 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 0.95 0.00 0.00 0.78 0.00 0.00 50 G 6.23 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 0.00 0.00 0.00 51 N 10.55 4.93 0.00 2.63 2.69 0.00 0.00 6.89 7.54 0.00 0.00 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 E 8.34 5.69 0.00 2.07 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 1.96 1.89 0.00 53 E 8.31 4.01 0.00 2.06 1.84 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 2.35 2.37 0.00 54 V 8.72 4.57 1.71 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 0.16 0.00 0.00 -0.18 0.00 0.00 55 A 8.62 5.26 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 56 G 9.18 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.59 5.59 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 1.24 0.00 0.00 58 I 8.50 4.41 1.88 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 1.35 0.69 0.92 0.00 0.00 59 T 8.95 5.10 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 1.20 0.00 0.00 60 I 9.15 5.22 2.01 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.32 0.96 0.00 0.00 61 V 8.63 4.85 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 0.95 0.00 0.00 0.89 0.00 0.00 62 Y 8.10 5.07 0.00 3.21 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 63 N 9.04 5.74 0.00 2.96 2.79 0.00 0.00 7.44 7.89 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 64 H 9.33 4.44 0.00 3.46 3.71 0.00 5.58 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 7.93 4.56 0.00 2.83 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 66 E 7.77 4.39 0.00 1.98 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 2.24 2.24 0.00 67 G 7.50 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 68 D 8.08 4.83 0.00 2.82 2.87 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 69 V 7.37 3.31 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 0.81 0.00 0.00 0.52 0.00 0.00 70 V 7.84 3.36 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 1.05 0.00 0.00 1.03 0.00 0.00 71 K 8.31 3.93 0.00 1.84 1.85 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.44 7.81 72 A 8.03 3.97 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 73 L 8.45 3.89 0.00 1.77 1.68 0.46 0.83 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 74 L 7.47 4.03 0.00 1.88 1.75 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 75 D 7.94 4.67 0.00 2.80 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 76 L 7.93 4.26 0.00 2.02 1.81 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.59 4.11 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.72 0.00 78 H 9.07 4.35 0.00 3.24 3.38 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.06 4.15 0.00 2.10 2.24 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 1.73 2.16 0.00 80 Y 7.95 4.79 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 81 L 7.84 4.08 0.00 1.63 1.74 0.93 1.11 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 82 D 8.06 4.54 0.00 2.69 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 83 E 8.11 4.81 0.00 2.17 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 0.00 2.41 2.37 0.00 84 I 7.64 4.46 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.63 0.95 0.00 0.00 85 I 8.59 4.23 1.98 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 1.30 0.52 0.92 0.00 0.00 86 S 7.21 4.81 0.00 3.85 3.92 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 0.00 0.00 0.00 87 S 8.84 5.23 0.00 3.88 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 88 L 8.49 4.83 0.00 1.75 1.53 0.92 0.97 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 89 H 8.71 5.28 0.00 3.15 3.04 0.00 5.74 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.73 4.37 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 0.88 0.00 0.00 0.90 0.00 0.00 91 H 8.73 4.98 0.00 3.20 3.25 0.00 5.76 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.55 4.27 0.00 2.01 2.27 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 2.57 2.55 0.00 93 D 7.34 4.47 0.00 2.73 2.61 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 94 E 8.96 4.05 0.00 1.91 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 1.99 2.25 0.00 95 H 9.97 4.90 0.00 2.97 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.49 5.31 0.00 2.76 2.67 0.00 0.00 6.93 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 C 9.03 5.09 0.00 1.86 2.34 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 98 L 8.62 4.93 0.00 1.53 1.37 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 99 E 9.36 5.17 0.00 1.97 1.80 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 2.25 2.39 0.00 100 V 8.77 4.85 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 0.73 0.00 0.00 0.93 0.00 0.00 101 I 8.86 4.42 1.89 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 1.15 0.92 0.99 0.00 0.00 102 V 8.38 4.78 2.24 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 1.05 0.00 0.00 0.95 0.00 0.00 103 V 8.84 5.01 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 1.02 0.00 0.00 0.95 0.00 0.00 104 K 9.60 4.86 0.00 1.78 1.58 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.39 7.81 105 G 8.08 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 0.00 0.00 0.00 106 E 8.11 4.05 0.00 1.96 1.80 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 2.31 2.31 0.00 107 A 8.29 3.22 0.84 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 0.00 0.00 108 K 7.11 3.84 0.00 1.55 1.89 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.43 7.81 109 K 8.03 3.99 0.00 1.86 1.95 0.00 1.74 0.00 0.00 1.87 0.00 0.00 3.45 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.74 1.74 7.81 110 I 7.81 3.67 2.03 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.73 1.12 0.00 0.00 111 K 8.39 4.11 0.00 2.05 1.92 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.61 1.87 7.81 112 M 8.04 4.06 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.70 0.00 113 I 7.47 3.23 1.85 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.09 0.69 0.00 0.00 114 A 7.93 3.96 1.37 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 0.00 115 D 8.09 4.26 0.00 2.90 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 0.00 116 K 7.92 4.04 0.00 1.83 1.89 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.68 7.81 117 L 8.09 4.13 0.00 1.68 1.70 0.91 0.47 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 0.00 118 L 7.99 4.07 0.00 1.66 1.74 0.92 1.26 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 0.00 119 S 7.72 4.39 0.00 3.99 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 0.00 120 L 7.78 4.01 0.00 2.08 1.63 0.96 0.68 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 0.00 121 K 9.12 3.78 0.00 1.68 1.87 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.54 7.81 122 G 7.93 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.59 4.01 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 0.88 0.00 0.00 1.02 0.00 0.00 124 K 8.65 4.12 0.00 1.79 1.68 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.45 7.81 125 H 7.88 5.01 0.00 3.03 3.11 0.00 5.72 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 0.00 126 G 7.93 5.13 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 0.00 0.00 0.00 127 K 7.93 4.78 0.00 1.82 1.57 0.00 1.55 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.42 7.81 128 L 8.48 4.82 0.00 1.64 1.48 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 129 V 8.18 4.12 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 0.84 0.00 0.00 0.88 0.00 0.00 130 M 8.11 3.66 0.00 0.51 1.05 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.81 0.00 131 T 8.48 4.79 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 1.36 0.00 0.00 132 S 8.85 4.95 0.00 3.92 3.78 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 0.00 133 T 8.50 4.42 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 1.29 0.00 0.00 134 G 7.85 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 0.00 0.00 0.00 0.00 135 K 7.01 4.05 0.00 1.60 1.86 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.44 7.81 136 E 8.13 4.64 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 2.18 2.30 0.00 137 L 8.07 4.74 0.00 1.63 1.68 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 138 V 7.98 4.02 2.11 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 0.59 0.00 0.00 0.97 0.00 0.00