NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3647 8.2549 120.8604 56.0305 32.5749 172.9447 3 R 3.6546 9.0973 126.0114 57.3334 28.5105 177.1653 4 R 3.9215 9.3205 119.8267 57.1623 32.2402 175.9296 5 V 4.1043 8.2463 122.5412 61.7850 32.7013 174.9551 6 I 4.6241 8.2136 126.8766 59.5807 40.3908 176.3307 7 G 4.1333 8.2072 112.2863 45.6033 0.0000 173.2100 8 Q 4.1943 8.5136 125.3905 54.7594 29.9456 175.4229 9 R 4.1115 8.4464 126.0055 54.9890 30.0411 175.7627 10 K 3.9025 8.6685 127.2151 56.9753 32.5834 175.7944 11 I 4.4737 7.9818 126.3120 59.0242 39.3799 175.1087 12 L 4.0837 8.3193 125.7581 53.9925 42.4325 175.2213 13 P 4.3686 0.0000 0.0000 62.4175 31.8914 175.2948 14 D 4.4030 8.7882 118.1301 54.5673 41.1751 175.7817 15 P 4.5770 0.0000 0.0000 64.2643 31.6262 176.4153 16 K 4.2624 8.2190 117.2482 55.9255 33.4482 175.9657 17 F 4.7068 8.6933 113.1976 56.8954 42.1417 174.9528 18 G 3.9908 8.6469 107.8229 45.9083 0.0000 173.0251 19 S 4.4451 7.6224 113.3869 56.2392 65.7695 175.4243 20 E 3.9952 9.2172 126.5764 59.5935 29.1649 178.8856 21 L 4.0061 8.0144 118.9456 59.3172 40.2272 179.2059 22 L 3.7575 7.8010 119.9149 56.9400 41.4656 178.8257 23 A 3.9339 8.4089 120.4449 55.8965 18.1961 179.4021 24 K 3.8062 8.3316 116.3241 59.3782 32.3022 179.1248 25 F 4.0471 7.8254 119.5663 61.3485 39.2367 177.3616 26 V 3.7869 8.0267 109.7579 63.3097 31.1895 177.3562 27 N 4.6036 7.6828 116.6486 55.1536 38.6906 177.4187 28 I 3.6709 7.4223 120.6862 64.3240 37.3172 178.0555 29 L 3.9217 7.2134 119.0030 56.7760 42.2134 176.9937 30 M 4.1494 6.6518 116.8932 55.8111 32.9366 175.4781 31 V 4.4639 7.8369 121.5407 61.0659 34.5653 174.2362 32 D 4.4393 9.7575 118.4571 55.1466 38.4729 173.7840 33 G 3.9426 8.0745 103.1025 47.0789 0.0000 176.1848 34 K 4.4322 8.1568 117.5470 54.0298 29.0367 176.0725 35 K 3.8377 7.8145 124.5955 59.9720 32.5724 177.0920 36 S 4.2472 8.2026 113.4959 62.0403 62.6150 176.0868 37 T 3.8664 7.9828 119.0915 66.3980 68.2812 175.4623 38 A 3.9319 8.1644 121.8331 55.2809 18.2521 179.1043 39 E 3.7337 8.9153 115.5345 59.8196 29.7414 179.9767 40 S 4.3746 8.4116 114.5747 62.1191 62.5238 177.0727 41 I 3.7172 7.9267 122.0754 64.3368 36.8579 178.5379 42 V 3.6420 8.0035 119.2962 66.4056 31.2767 177.7197 43 Y 4.2636 7.8137 116.3636 61.0051 37.6519 178.0544 44 S 4.3066 8.5317 114.2315 61.9946 62.3491 176.4427 45 A 4.1427 7.8841 121.9985 54.4862 18.2013 179.3747 46 L 3.8826 7.9772 119.2792 58.5878 42.1726 179.1618 47 E 4.1018 9.1052 119.4053 59.4856 29.2629 179.4480 48 T 3.8739 7.7189 115.5717 66.4843 68.4698 176.3140 49 L 3.9049 8.2270 122.0853 58.1802 42.1872 178.5246 50 A 4.5392 7.8134 121.9576 54.7895 18.2609 179.3403 51 Q 3.8871 8.4700 118.0716 59.7026 28.9408 178.2632 52 R 4.0275 7.9967 118.0833 59.6062 30.4333 178.6866 53 S 4.3137 8.6617 112.8753 59.1313 62.9405 176.2054 54 G 4.0910 7.9365 113.2285 45.8379 0.0000 174.6300 55 K 4.2625 7.8562 118.4991 55.6095 33.8067 176.3437 56 S 4.3574 8.5749 114.5299 58.7612 64.0667 175.3099 57 E 3.8864 8.6663 126.5815 59.6409 29.4216 179.4855 58 L 3.3940 7.0355 118.6564 59.0405 40.0051 179.3735 59 E 3.9069 8.0186 118.3372 59.2830 29.8115 178.6103 60 A 4.1525 7.7462 120.5524 55.0962 18.2880 179.4399 61 F 3.9555 8.9380 120.1397 61.4874 39.4838 176.8550 62 E 3.6085 8.1206 118.6618 59.1145 29.1652 178.6598 63 V 4.3135 8.1689 118.5808 65.4196 31.8375 177.2870 64 A 4.1810 7.7997 120.0252 55.4136 18.0297 179.4980 65 L 3.7312 7.4142 117.0566 58.0088 41.7139 179.5018 66 E 3.4270 8.6153 118.5833 58.9459 29.1222 178.6441 67 N 4.6291 7.6724 114.8647 54.6981 40.0277 176.4412 68 V 3.7955 7.5923 118.5902 65.4954 31.9915 176.5128 69 R 3.8358 8.6924 120.2079 56.0630 30.9733 174.7286 70 P 5.0291 0.0000 0.0000 62.6523 31.0271 176.7383 71 T 4.3904 8.3653 115.2687 62.3411 69.2985 172.7803 72 V 5.1499 7.7837 112.6768 59.8907 35.9131 174.0688 73 E 4.7967 9.5481 121.5176 55.5813 33.6644 173.8712 74 V 4.7586 8.2758 112.5073 59.8742 33.6491 176.1608 75 K 4.4369 9.0517 125.3411 54.3328 34.0895 175.6109 76 S 4.2973 8.7276 121.9371 58.7162 62.7352 174.7139 77 R 4.3941 8.6332 125.8359 55.0450 31.7397 172.8318 78 R 4.3817 8.4271 124.6078 55.7309 28.2993 173.9203 79 V 4.2296 7.7345 121.0744 61.3059 34.6506 175.5465 80 G 3.6042 8.9343 114.5999 47.1912 0.0000 174.7344 81 G 3.9217 8.1949 103.2379 45.8636 0.0000 173.3205 82 S 4.5280 7.8764 114.7340 56.1228 65.4115 173.9296 83 T 4.1274 8.1084 114.1384 61.8917 70.1519 173.2964 84 Y 4.8323 8.0303 118.8928 55.9748 42.6064 176.0728 85 Q 4.8587 7.9503 124.4134 54.8667 28.0586 176.1862 86 V 3.6805 7.3777 120.1295 62.7805 32.9448 174.6659 87 P 5.1373 0.0000 0.0000 62.5525 32.9485 175.7061 88 V 4.1655 8.2894 116.6639 60.9740 34.5979 171.8867 89 E 4.6753 8.9488 123.1521 56.7453 30.7336 176.3372 90 V 4.3803 8.3514 114.3425 59.4706 34.1071 176.6521 91 R 3.9570 8.8129 124.8839 55.4732 30.2438 174.5329 92 P 4.2061 0.0000 0.0000 65.6734 30.4089 178.6097 93 V 3.5366 7.6541 111.1414 63.6812 31.8750 178.7153 94 R 3.8262 7.8643 117.5810 59.4720 30.1290 177.7693 95 R 3.7146 7.9572 118.4828 59.8773 29.8512 177.7092 96 N 4.1200 8.0357 115.1101 56.5044 38.5828 176.7597 97 A 3.9201 7.5306 121.3116 55.3895 18.3787 179.2451 98 L 3.4172 7.7177 116.1150 57.7859 41.7214 179.5390 99 A 3.4200 7.0375 120.0114 55.4705 18.2219 179.4494 100 M 4.1705 8.0624 116.9928 58.6241 32.1047 178.8781 101 R 3.8177 8.1271 118.9445 59.3516 30.2328 178.3080 102 W 4.4552 8.4101 118.9840 60.0208 29.0006 178.2898 103 I 3.8064 8.0682 119.5601 65.0025 36.6364 178.0953 104 V 3.5826 7.8877 118.7354 65.7841 31.0351 177.4076 105 E 3.9115 8.2243 118.4688 59.6905 29.9941 179.4144 106 A 4.1245 8.2695 120.0520 55.0611 18.4391 179.3950 107 A 3.9603 8.2790 119.5310 55.6565 18.3055 180.0211 108 R 3.9875 8.3975 115.1898 58.8453 30.3858 178.3756 109 K 4.4724 7.6375 116.1461 56.3685 31.8453 178.0081 110 R 4.2251 8.4401 119.5415 56.2154 29.7113 177.0358 111 G 4.1713 7.4358 105.6065 46.2217 0.0000 175.8094 112 D 4.7540 7.3999 119.7476 53.9743 39.9270 176.5219 113 K 4.2270 8.2271 121.0674 58.6113 33.2479 177.0317 114 S 4.8470 7.3670 113.5957 56.1164 67.7084 174.4920 115 M 3.8149 8.6600 123.3407 59.1723 31.8673 178.2641 116 A 4.0050 8.1471 119.9951 55.3458 18.3823 179.0776 117 L 3.8749 7.9122 117.7650 58.4119 42.1796 178.9984 118 R 3.9100 7.8762 117.8016 59.2637 30.0200 178.5596 119 L 3.9721 8.5816 119.9441 58.2425 41.9363 178.7494 120 A 4.0167 8.4141 120.7657 55.4748 18.3861 179.2840 121 N 4.2934 8.5248 115.2341 56.5966 38.6271 177.3575 122 E 4.0141 8.5578 120.8351 59.1595 29.5072 178.8100 123 L 4.1132 7.9721 118.3870 57.5632 41.8187 179.2004 124 S 4.2966 7.8070 115.8930 61.0523 62.4437 175.8142 125 D 4.8366 8.4008 122.3906 57.0837 40.6759 179.3628 126 A 4.0721 8.0349 120.5226 55.0460 18.1198 179.2906 127 A 4.2365 7.6771 114.5960 52.8912 18.4346 178.0970 128 E 4.5237 8.8446 115.4004 56.7025 30.7391 174.1134 129 N 4.0385 8.4387 117.3872 54.3746 35.2322 172.5638 130 K 4.5360 8.5251 117.1047 57.4218 38.6652 176.5831 131 G 3.9599 7.7819 107.4104 44.8262 0.0000 173.9433 132 T 3.9196 8.6212 108.5352 64.3101 68.6295 176.1597 133 A 4.0761 8.3206 124.6066 55.1746 18.6116 179.6498 134 V 3.6715 7.8789 109.5804 64.3557 31.7569 178.6528 135 K 3.8305 7.7858 119.3188 59.3645 31.9706 178.5097 136 K 4.1450 7.6831 121.0147 58.8252 31.9653 178.1219 137 R 3.9834 7.6623 118.7471 60.0208 29.9351 178.1296 138 E 4.0134 8.0639 117.4872 59.4077 29.4160 179.1731 139 D 4.2789 7.7954 118.7685 57.2653 40.8963 178.8086 140 V 3.4787 7.7901 118.8091 66.5817 30.5158 177.8554 141 H 4.3191 8.0080 115.6393 58.7884 28.2436 177.8414 142 R 4.2026 7.8753 120.1861 59.2820 29.6844 178.0054 143 M 4.1529 8.0844 117.9178 57.8950 32.3122 176.4385 144 A 4.2926 6.9275 120.0339 52.6884 19.6600 176.4968 145 E 4.0406 9.0399 123.3926 57.6243 28.8518 175.9999 146 A 4.2799 7.3342 117.7264 53.7470 18.5212 177.3575 147 N 5.0453 7.8330 111.3140 52.1615 40.5529 175.8032 148 K 3.8308 8.4333 121.2472 58.4551 32.4672 178.2227 149 A 3.7739 7.7969 120.5180 55.3705 18.1738 178.4214 150 F 4.1929 7.9414 112.9184 57.4543 39.3927 176.6891 151 A 3.6375 7.8076 124.2602 52.2057 18.0081 175.8098 152 H 4.3120 7.8096 110.0093 54.1210 30.4750 173.4871 153 Y 4.0394 7.5009 121.5510 58.5452 37.7655 169.4586 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 8.25 4.36 0.00 1.79 1.92 0.00 3.20 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 3 R 9.10 3.65 0.00 1.93 1.68 0.00 3.44 0.00 0.00 3.23 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 4 R 9.32 3.92 0.00 1.80 1.89 0.00 3.20 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 5 V 8.25 4.10 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 0.81 0.00 0.00 0.93 0.00 0.00 6 I 8.21 4.62 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 1.35 0.77 0.91 0.00 0.00 7 G 8.21 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 0.00 0.00 0.00 8 Q 8.51 4.19 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.98 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 9 R 8.45 4.11 0.00 1.81 1.85 0.00 3.31 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 10 K 8.67 3.90 0.00 1.76 1.73 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.48 7.81 11 I 7.98 4.47 1.89 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 0.76 0.92 0.00 0.00 12 L 8.32 4.08 0.00 1.61 1.60 0.94 0.95 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 13 P 0.00 4.37 0.00 2.24 2.08 0.00 3.87 0.00 0.00 3.60 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 14 D 8.79 4.40 0.00 2.98 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 15 P 0.00 4.58 0.00 2.25 2.21 0.00 3.94 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 2.26 2.26 0.00 16 K 8.22 4.26 0.00 1.05 1.28 0.00 1.09 0.00 0.00 0.61 0.00 0.00 2.55 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.76 0.64 7.81 17 F 8.69 4.71 0.00 3.23 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 18 G 8.65 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 0.00 0.00 0.00 19 S 7.62 4.45 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 20 E 9.22 4.00 0.00 2.05 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 2.43 2.41 0.00 21 L 8.01 4.01 0.00 1.98 1.97 0.99 0.37 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 22 L 7.80 3.76 0.00 1.76 1.69 0.62 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.41 3.93 1.44 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 0.00 0.00 24 K 8.33 3.81 0.00 1.90 1.89 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 25 F 7.83 4.05 0.00 3.31 3.14 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 0.00 0.00 0.00 26 V 8.03 3.79 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 0.79 0.00 0.00 0.97 0.00 0.00 27 N 7.68 4.60 0.00 2.82 2.82 0.00 0.00 6.86 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 28 I 7.42 3.67 1.68 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 1.54 0.65 0.79 0.00 0.00 29 L 7.21 3.92 0.00 1.31 1.49 0.86 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 30 M 6.65 4.15 0.00 2.22 2.10 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 2.60 2.48 0.00 31 V 7.84 4.46 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 0.77 0.00 0.00 0.92 0.00 0.00 32 D 9.76 4.44 0.00 2.77 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 33 G 8.07 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 34 K 8.16 4.43 0.00 1.81 1.76 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.61 7.81 35 K 7.81 3.84 0.00 1.82 1.84 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.76 1.54 7.81 36 S 8.20 4.25 0.00 4.11 4.11 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 37 T 7.98 3.87 4.38 0.00 0.00 0.00 0.00 0.00 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 38 A 8.16 3.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.92 3.73 0.00 2.28 2.37 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 2.42 2.59 0.00 40 S 8.41 4.37 0.00 4.04 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 41 I 7.93 3.72 2.07 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 1.43 1.30 0.93 0.00 0.00 42 V 8.00 3.64 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.90 0.00 0.00 43 Y 7.81 4.26 0.00 3.13 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 44 S 8.53 4.31 0.00 3.94 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 45 A 7.88 4.14 1.45 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 0.00 0.00 46 L 7.98 3.88 0.00 2.05 1.89 0.69 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 47 E 9.11 4.10 0.00 2.04 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 2.78 2.60 0.00 48 T 7.72 3.87 4.46 0.00 0.00 0.00 0.00 0.00 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 49 L 8.23 3.90 0.00 1.90 1.67 0.94 1.43 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 50 A 7.81 4.54 1.44 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 0.00 0.00 51 Q 8.47 3.89 0.00 2.18 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 52 R 8.00 4.03 0.00 2.00 1.96 0.00 3.29 0.00 0.00 3.29 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 53 S 8.66 4.31 0.00 4.03 4.11 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 54 G 7.94 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 55 K 7.86 4.26 0.00 2.13 1.94 0.00 1.34 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.37 7.81 56 S 8.57 4.36 0.00 3.93 3.96 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 57 E 8.67 3.89 0.00 1.71 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 2.64 2.51 0.00 58 L 7.04 3.39 0.00 1.90 1.77 0.89 0.10 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 59 E 8.02 3.91 0.00 2.02 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 2.38 2.46 0.00 60 A 7.75 4.15 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 61 F 8.94 3.96 0.00 2.94 3.07 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 62 E 8.12 3.61 0.00 2.27 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 2.30 2.46 0.00 63 V 8.17 4.31 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 0.83 0.00 0.00 0.93 0.00 0.00 64 A 7.80 4.18 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 65 L 7.41 3.73 0.00 1.56 1.49 -0.02 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.62 3.43 0.00 2.16 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 2.29 2.69 0.00 67 N 7.67 4.63 0.00 2.93 2.85 0.00 0.00 6.92 7.70 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 68 V 7.59 3.80 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 1.00 0.00 0.00 0.99 0.00 0.00 69 R 8.69 3.84 0.00 1.69 1.84 0.00 3.14 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 70 P 0.00 5.03 0.00 2.36 2.21 0.00 3.71 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.64 0.00 71 T 8.37 4.39 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 1.02 0.00 0.00 72 V 7.78 5.15 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 0.68 0.00 0.00 0.86 0.00 0.00 73 E 9.55 4.80 0.00 2.00 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 2.23 2.33 0.00 74 V 8.28 4.76 2.10 0.00 0.00 0.00 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 75 K 9.05 4.44 0.00 1.67 1.67 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.49 7.81 76 S 8.73 4.30 0.00 3.91 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 77 R 8.63 4.39 0.00 1.96 1.77 0.00 3.21 0.00 0.00 3.11 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 78 R 8.43 4.38 0.00 1.83 1.82 0.00 3.30 0.00 0.00 3.09 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 79 V 7.73 4.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.95 0.00 0.00 80 G 8.93 3.60 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 0.00 0.00 0.00 81 G 8.19 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 0.00 0.00 0.00 82 S 7.88 4.53 0.00 3.65 3.79 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 83 T 8.11 4.13 4.17 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 1.14 0.00 0.00 84 Y 8.03 4.83 0.00 2.80 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 0.00 0.00 0.00 85 Q 7.95 4.86 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.07 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 86 V 7.38 3.68 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 0.93 0.00 0.00 0.75 0.00 0.00 87 P 0.00 5.14 0.00 2.10 2.07 0.00 3.92 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 1.98 2.00 0.00 88 V 8.29 4.17 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 0.71 0.00 0.00 0.92 0.00 0.00 89 E 8.95 4.68 0.00 1.83 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 0.00 2.27 2.26 0.00 90 V 8.35 4.38 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 0.72 0.00 0.00 0.97 0.00 0.00 91 R 8.81 3.96 0.00 1.90 1.90 0.00 3.19 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 92 P 0.00 4.21 0.00 2.24 2.19 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 2.07 2.06 0.00 93 V 7.65 3.54 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 0.92 0.00 0.00 94 R 7.86 3.83 0.00 1.82 2.00 0.00 3.35 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 95 R 7.96 3.71 0.00 2.04 2.00 0.00 3.12 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 96 N 8.04 4.12 0.00 2.86 2.85 0.00 0.00 7.00 7.31 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 97 A 7.53 3.92 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 98 L 7.72 3.42 0.00 1.13 0.43 0.88 0.74 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 99 A 7.04 3.42 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 0.00 100 M 8.06 4.17 0.00 2.32 2.35 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.90 0.00 101 R 8.13 3.82 0.00 1.89 2.05 0.00 3.25 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 1.70 0.00 102 W 8.41 4.46 0.00 3.53 3.08 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 0.00 103 I 8.07 3.81 2.28 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 1.50 1.06 1.10 0.00 0.00 104 V 7.89 3.58 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 0.91 0.00 0.00 0.64 0.00 0.00 105 E 8.22 3.91 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 2.38 2.39 0.00 106 A 8.27 4.12 1.43 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 0.00 107 A 8.28 3.96 1.53 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 0.00 108 R 8.40 3.99 0.00 1.89 2.03 0.00 3.12 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 109 K 7.64 4.47 0.00 1.98 1.81 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.60 7.81 110 R 8.44 4.23 0.00 1.99 2.20 0.00 3.30 0.00 0.00 3.29 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 111 G 7.44 4.17 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 0.00 112 D 7.40 4.75 0.00 2.70 2.53 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 0.00 113 K 8.23 4.23 0.00 1.75 1.78 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.41 7.81 114 S 7.37 4.85 0.00 3.83 3.73 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 0.00 115 M 8.66 3.81 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.72 0.00 116 A 8.15 4.01 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 0.00 117 L 7.91 3.87 0.00 1.81 1.74 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.88 3.91 0.00 2.01 2.15 0.00 3.21 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 119 L 8.58 3.97 0.00 1.82 1.98 1.15 1.33 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 0.00 120 A 8.41 4.02 1.43 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 0.00 121 N 8.52 4.29 0.00 2.89 2.90 0.00 0.00 6.75 7.21 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 0.00 122 E 8.56 4.01 0.00 2.17 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 2.52 2.45 0.00 123 L 7.97 4.11 0.00 1.89 1.74 1.00 0.97 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 0.00 124 S 7.81 4.30 0.00 3.98 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 0.00 125 D 8.40 4.84 0.00 2.80 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 0.00 126 A 8.03 4.07 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 0.00 127 A 7.68 4.24 1.39 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 0.00 0.00 128 E 8.84 4.52 0.00 2.05 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 2.30 2.38 0.00 129 N 8.44 4.04 0.00 2.87 2.89 0.00 0.00 6.82 7.61 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 0.00 130 K 8.53 4.54 0.00 1.75 1.73 0.00 1.99 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.53 7.81 131 G 7.78 3.96 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 0.00 132 T 8.62 3.92 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 1.19 0.00 0.00 133 A 8.32 4.08 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.88 3.67 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 1.06 0.00 0.00 1.00 0.00 0.00 135 K 7.79 3.83 0.00 1.85 1.89 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.56 7.81 136 K 7.68 4.14 0.00 1.48 1.49 0.00 1.14 0.00 0.00 1.10 0.00 0.00 2.13 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.30 0.21 7.81 137 R 7.66 3.98 0.00 2.49 2.30 0.00 3.42 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.32 0.00 138 E 8.06 4.01 0.00 2.17 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 2.35 2.51 0.00 139 D 7.80 4.28 0.00 2.75 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 0.00 140 V 7.79 3.48 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 1.15 0.00 0.00 0.76 0.00 0.00 141 H 8.01 4.32 0.00 3.25 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 R 7.88 4.20 0.00 2.06 2.11 0.00 3.25 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 143 M 8.08 4.15 0.00 2.27 2.03 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 144 A 6.93 4.29 1.39 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 0.00 0.00 145 E 9.04 4.04 0.00 2.23 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 2.26 2.35 0.00 146 A 7.33 4.28 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 0.00 147 N 7.83 5.05 0.00 2.89 3.05 0.00 0.00 6.73 8.30 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 0.00 148 K 8.43 3.83 0.00 1.70 1.84 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.41 7.81 149 A 7.80 3.77 0.69 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 0.00 0.00 150 F 7.94 4.19 0.00 2.90 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 0.00 151 A 7.81 3.64 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 0.00 152 H 7.81 4.31 0.00 3.13 3.46 0.00 5.68 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Y 7.50 4.04 0.00 3.17 2.86 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