NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 N 4.6426 8.4249 119.2010 53.6196 41.0736 174.6952 24 R 4.3017 8.3397 115.1665 55.6780 31.3495 173.6936 25 I 4.8285 8.4412 121.3215 59.0201 39.9757 175.8085 26 Q 4.7425 8.0470 128.3327 54.7726 27.8421 176.2218 27 L 4.4573 7.7192 118.3665 54.0956 43.5199 177.4545 28 T 4.4039 8.3924 117.5146 60.5525 68.5668 175.1295 29 N 4.3882 8.8072 123.6096 55.6820 38.6308 177.3184 30 K 4.1001 8.0510 119.3142 57.0296 32.3045 182.2136 31 H 5.0253 8.4970 114.5624 54.6615 29.3114 174.9510 32 A 4.0292 7.9431 123.5720 55.4643 18.6926 179.1120 33 D 4.3059 8.0460 116.9951 57.4584 40.8859 178.8709 34 V 3.6590 7.6249 118.4768 65.9666 31.1745 178.2693 35 K 3.9872 7.8210 118.3642 59.0350 31.7276 179.4516 36 K 4.0398 7.8426 118.6362 59.2855 32.1737 179.1822 37 Q 3.9841 8.0998 118.4133 58.7835 28.5880 178.7367 38 L 3.9602 8.1409 120.1714 57.8798 41.6074 179.4002 39 K 3.8537 7.7045 118.0074 59.8403 31.8216 178.6876 40 M 3.7321 8.0392 117.7980 58.7334 32.1857 177.9415 41 V 4.0173 7.7106 109.0633 60.2290 32.4266 175.8486 42 R 3.7488 8.4941 117.5274 57.3206 27.5787 176.9660 43 L 4.3558 8.2858 121.7896 53.4202 41.6045 174.7134 44 G 4.2661 9.0354 115.1823 42.7004 0.0000 171.4300 45 D 4.3938 8.7468 117.6351 57.4645 40.5821 179.4990 46 A 4.0196 7.9694 120.4612 55.4629 18.5819 179.4902 47 E 4.0076 8.1244 116.4949 59.3689 29.5894 179.4491 48 L 4.0334 8.0974 119.3251 57.7755 41.7779 178.7637 49 Y 4.2763 8.3792 119.8414 60.6427 38.4716 178.2420 50 V 3.5347 7.4803 118.2360 65.6447 31.8739 177.8406 51 L 4.3091 7.8031 118.8405 57.6527 41.5339 178.7267 52 E 4.6342 8.5357 120.9817 59.1009 29.3285 179.1146 53 Q 3.9258 7.5248 115.9876 58.5068 29.0519 178.0911 54 L 4.1719 7.7954 118.8529 55.8335 41.8605 178.6119 55 Q 3.8029 7.9170 120.6686 58.8208 28.8617 176.3246 56 P 4.2129 0.0000 0.0000 65.5725 30.9077 178.3425 57 L 3.9110 7.6931 118.4630 58.2697 41.9664 178.8189 58 I 3.3046 7.1612 118.2647 64.3442 37.0894 177.9983 59 Q 4.2033 7.9957 119.0338 58.2782 28.5887 177.4193 60 E 4.3423 7.7654 116.0285 57.4936 30.0964 176.7914 61 N 4.9500 7.5328 115.7304 52.3726 40.6092 175.8854 62 I 3.6445 7.5485 119.6924 63.9897 37.7949 178.0089 63 V 3.6143 7.6619 118.8481 65.9667 31.4637 177.6768 64 N 4.4064 8.0659 115.8140 56.0520 38.4415 177.3320 65 I 3.7233 7.9765 121.7217 64.5055 37.2888 178.9108 66 V 3.7639 7.8118 119.9072 64.8566 31.1527 178.0017 67 D 4.5189 8.4719 118.5011 56.2424 40.8056 178.3106 68 A 4.2045 7.9731 121.5992 54.9415 18.2558 178.9325 69 F 3.8289 8.2934 119.3326 62.0793 39.2995 177.1399 70 Y 4.1206 8.6216 121.0606 60.9983 38.3364 178.6064 71 K 4.0915 8.2694 124.7659 59.4972 32.1893 181.8058 72 N 4.7247 7.7380 115.2132 54.8566 38.7618 175.9006 73 L 4.0058 6.9987 118.7293 55.9290 42.0564 177.1356 74 D 4.3445 7.5284 119.2688 55.5327 39.8361 177.8564 75 H 4.1665 7.5292 114.9726 57.4425 28.6645 175.5426 76 E 4.2034 7.8676 120.9184 53.5527 30.5094 175.2227 77 S 3.9785 8.7548 122.2372 61.8409 62.8964 176.5506 78 S 3.9197 7.8313 115.9374 61.5489 62.8076 176.0443 79 L 3.7491 7.1610 123.3459 57.6149 41.5639 179.3764 80 M 3.9477 7.8160 116.9696 58.8673 31.5920 177.8052 81 D 4.4094 8.0016 118.9993 56.9809 40.9599 178.7662 82 I 3.6291 7.9404 120.9160 64.2796 37.0857 178.4582 83 I 3.7393 7.6323 120.0928 64.5742 36.9033 178.1054 84 N 4.5571 7.8904 114.1303 55.0709 38.3043 176.1786 85 D 4.6391 7.2781 119.5894 56.6899 41.9289 177.6450 86 H 4.6310 7.8263 113.2144 56.6095 29.3286 176.1179 87 S 4.7781 8.0541 116.9660 57.4958 67.4740 176.9028 88 S 4.6625 7.7813 112.3118 55.8208 66.6802 175.3223 89 V 3.4947 8.3161 122.2386 66.4893 31.3097 178.1062 90 D 4.3259 7.9167 117.9802 57.1986 40.5650 178.8270 91 R 3.9466 7.8716 118.3908 58.9630 30.0730 178.7836 92 L 3.9693 8.0030 120.2214 57.9657 42.1123 179.1204 93 K 3.8863 8.0705 118.4451 59.5741 31.7851 178.7495 94 Q 3.9535 7.8764 119.3995 59.8842 28.7062 178.9667 95 T 3.9457 7.6647 116.3734 66.3578 68.5839 176.4557 96 L 3.9234 8.2357 121.1206 58.1439 41.6331 179.7205 97 K 3.8222 8.5525 118.1266 59.6673 32.1206 179.2598 98 R 3.8531 7.5760 118.2796 59.6648 30.1986 177.9674 99 H 4.3079 8.9050 118.4578 59.5183 29.7029 177.0813 100 I 3.7458 8.1539 120.4497 64.5373 37.1233 178.1513 101 Q 4.2943 7.9653 118.5252 59.2711 28.5584 178.5264 102 E 4.0258 8.1576 119.3391 60.0132 29.2837 179.3603 103 M 4.2181 7.8005 117.1463 57.4730 32.1823 177.1914 104 F 4.7230 8.2291 116.8940 57.0392 39.5457 177.4609 105 A 3.9602 8.2626 127.5020 53.7382 18.1808 179.9017 106 G 3.8669 10.0091 101.9979 45.0779 0.0000 173.8732 107 V 4.9412 7.5000 118.9493 61.3087 32.7112 172.9673 108 I 3.8596 8.0386 121.2873 59.7147 39.2053 174.4299 109 D 5.3495 8.2380 127.5926 51.3773 42.6261 175.8253 110 D 4.2857 8.8419 116.6222 57.8833 40.6742 178.3428 111 E 3.9258 8.1660 119.3434 59.0497 29.6218 178.0842 112 F 3.9496 8.2657 120.4828 61.6504 39.2620 177.1268 113 I 3.8342 7.7151 119.1555 64.6273 36.9454 178.1640 114 E 3.9816 8.2776 119.8930 58.8333 29.2542 178.8128 115 K 3.8313 8.3054 119.3454 59.6790 32.1189 179.3764 116 R 3.8957 7.6641 118.1533 59.2259 29.9443 178.8257 117 N 4.3277 7.8794 116.5212 56.2525 38.5029 177.4647 118 R 3.8913 7.9391 119.4325 59.3594 30.2028 178.8536 119 I 3.4807 7.3172 119.2093 64.7156 37.1853 177.6683 120 A 3.8307 8.0916 120.8776 55.6733 18.2079 179.5343 121 S 3.9902 8.2322 111.9840 61.9201 63.0380 177.3994 122 I 3.6479 7.7013 121.7408 65.0072 36.9030 178.1552 123 H 4.1952 8.6041 117.2233 58.8516 28.5240 177.6067 124 L 3.9386 7.8952 121.9049 58.1524 41.8567 178.5560 125 R 3.8980 7.5415 116.4769 59.6683 30.1813 178.5401 126 I 3.4368 7.5871 111.5595 62.3981 37.7541 176.5454 127 G 3.9851 8.0158 107.9698 45.5243 0.0000 173.6697 128 L 4.4546 7.9084 122.2560 52.9964 42.5888 176.5151 129 L 4.1939 8.6278 127.3852 54.1659 43.3884 176.3076 130 P 4.3913 0.0000 0.0000 65.9304 31.0121 178.7820 131 K 3.9541 7.9088 118.2741 59.4200 32.4785 179.1245 132 W 4.3405 7.8588 118.9007 59.4277 29.6565 177.2362 133 Y 4.2005 8.1359 119.5248 61.0392 38.0567 178.0119 134 M 4.3561 8.3107 118.6263 58.8329 32.0498 178.2834 135 G 3.7849 8.0691 104.1234 46.5571 0.0000 175.3876 136 A 3.6588 7.6860 123.3870 55.2429 18.3790 179.5466 137 F 4.2543 7.7064 116.2231 60.6847 38.7865 177.6693 138 Q 4.2061 7.7522 118.9604 59.3733 28.7944 177.8190 139 E 3.8775 8.2775 119.6956 59.3427 29.5033 178.5950 140 L 4.0792 7.7458 119.9578 58.0790 42.2153 178.4105 141 L 4.0091 8.8254 121.4509 58.4685 41.9996 178.8691 142 L 3.9833 8.2630 118.9400 57.9515 41.5145 179.7087 143 S 4.0918 7.7540 115.0854 61.9660 62.8277 176.7963 144 M 3.6529 7.8946 121.0633 58.2038 31.6986 178.7603 145 I 3.7266 7.8717 120.2523 64.4506 37.0328 178.0278 146 D 4.3131 8.1583 118.8355 57.5242 40.9993 178.3513 147 I 3.7867 7.3943 120.0005 64.8394 37.0619 177.9032 148 Y 4.3122 7.5086 117.0150 61.2745 37.6280 178.2793 149 E 3.9407 8.2336 118.4786 58.4655 29.7732 177.5898 150 A 4.6580 7.6108 117.5020 52.2177 20.3144 176.8067 151 S 4.6070 8.7419 111.4222 57.7141 64.9190 174.0260 152 I 4.4912 7.6397 120.6624 59.7557 39.1136 175.2857 153 T 4.0680 8.5966 122.8995 65.9665 69.1017 175.6628 154 N 4.4315 8.0004 120.6233 53.0486 39.7196 174.5823 155 Q 3.9637 8.8607 129.2506 59.8382 29.0457 178.2802 156 Q 3.9719 8.1703 117.9552 59.5132 28.8750 178.9517 157 E 4.1064 8.3500 118.5850 59.0994 29.4359 179.3543 158 L 3.8697 7.8685 120.5909 58.1375 42.1827 178.9834 159 L 3.9434 8.2500 119.2810 57.6503 41.2907 179.1010 160 K 3.7598 8.6045 119.7151 59.8739 32.0356 178.5211 161 A 3.8377 7.8341 120.4888 54.7962 17.9333 179.7404 162 I 3.7729 7.3129 117.6108 64.5134 37.5597 178.3674 163 K 4.1447 8.6006 120.6873 58.8357 31.9430 179.0162 164 A 3.9867 7.6255 120.5232 55.8320 18.1885 179.9539 165 T 3.9531 7.9283 113.5792 66.6101 68.0333 176.7961 166 T 4.0722 7.9542 111.5631 63.7394 69.0253 177.2808 167 K 3.9438 7.7266 121.3497 59.3964 32.4573 178.8190 168 I 3.6817 7.7246 118.8166 63.8796 37.9071 177.9393 169 L 3.6930 7.5627 120.0274 57.6822 41.4565 178.9186 170 N 4.9509 7.7562 117.7606 56.0767 38.8257 176.3579 171 L 3.9203 8.3890 122.0127 58.2826 42.0112 178.7179 172 E 4.0245 8.0147 118.1657 59.8080 29.4758 179.2037 173 Q 4.2983 7.7263 117.5149 59.5001 28.6264 179.4970 174 Q 4.0410 8.2312 118.8288 58.8754 28.5180 178.7750 175 L 4.0534 7.8897 119.2695 57.6419 41.8605 179.0263 176 V 3.9851 8.0245 115.3217 63.5139 31.6216 175.9146 177 L 4.7732 7.3229 117.3930 55.0329 42.8353 176.2633 178 E 4.2027 8.3420 122.3808 56.5492 29.8747 175.8600 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 23 N 8.42 4.64 0.00 2.70 3.12 0.00 0.00 7.01 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.34 4.30 0.00 1.79 2.08 0.00 3.27 0.00 0.00 3.42 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 25 I 8.44 4.83 1.84 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 1.26 0.55 0.87 0.00 0.00 26 Q 8.05 4.74 0.00 1.82 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 27 L 7.72 4.46 0.00 1.63 1.61 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.39 4.40 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 1.46 0.00 0.00 29 N 8.81 4.39 0.00 2.73 2.88 0.00 0.00 6.79 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 30 K 8.05 4.10 0.00 1.77 1.73 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.36 1.04 7.81 31 H 8.50 5.03 0.00 3.17 3.27 0.00 5.79 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.94 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 33 D 8.05 4.31 0.00 2.74 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 34 V 7.62 3.66 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.00 0.00 0.00 35 K 7.82 3.99 0.00 1.98 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.69 7.81 36 K 7.84 4.04 0.00 1.98 1.84 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.66 7.81 37 Q 8.10 3.98 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 38 L 8.14 3.96 0.00 1.82 1.85 0.86 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.70 3.85 0.00 2.01 1.84 0.00 1.57 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.49 7.81 40 M 8.04 3.73 0.00 1.99 2.21 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 2.62 2.61 0.00 41 V 7.71 4.02 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 0.89 0.00 0.00 1.02 0.00 0.00 42 R 8.49 3.75 0.00 1.91 2.03 0.00 3.13 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 43 L 8.29 4.36 0.00 1.49 1.55 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.04 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.75 4.39 0.00 2.71 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 46 A 7.97 4.02 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 47 E 8.12 4.01 0.00 2.17 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 2.55 2.46 0.00 48 L 8.10 4.03 0.00 1.89 1.89 0.86 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.38 4.28 0.00 3.12 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 50 V 7.48 3.53 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 0.84 0.00 0.00 1.07 0.00 0.00 51 L 7.80 4.31 0.00 1.98 1.77 0.79 0.74 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 52 E 8.54 4.63 0.00 2.08 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 2.28 2.40 0.00 53 Q 7.52 3.93 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.71 0.00 0.00 0.00 0.00 0.00 2.02 1.84 0.00 54 L 7.80 4.17 0.00 1.96 1.58 0.86 0.42 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 55 Q 7.92 3.80 0.00 2.47 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 56 P 0.00 4.21 0.00 2.15 2.07 0.00 3.68 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 2.08 2.13 0.00 57 L 7.69 3.91 0.00 1.77 1.62 1.01 1.09 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 58 I 7.16 3.30 1.64 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 -0.36 0.84 0.00 0.00 59 Q 8.00 4.20 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 60 E 7.77 4.34 0.00 2.05 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 2.56 2.32 0.00 61 N 7.53 4.95 0.00 2.73 2.76 0.00 0.00 6.55 7.22 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 62 I 7.55 3.64 2.01 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 1.41 1.22 0.97 0.00 0.00 63 V 7.66 3.61 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 1.14 0.00 0.00 0.92 0.00 0.00 64 N 8.07 4.41 0.00 2.85 2.85 0.00 0.00 7.13 6.91 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 65 I 7.98 3.72 2.03 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 1.56 0.81 0.96 0.00 0.00 66 V 7.81 3.76 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 0.86 0.00 0.00 0.91 0.00 0.00 67 D 8.47 4.52 0.00 2.78 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 68 A 7.97 4.20 1.46 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 0.00 0.00 0.00 69 F 8.29 3.83 0.00 3.24 3.38 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 70 Y 8.62 4.12 0.00 3.28 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 71 K 8.27 4.09 0.00 1.87 1.71 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.32 7.81 72 N 7.74 4.72 0.00 2.75 2.73 0.00 0.00 7.18 6.54 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 73 L 7.00 4.01 0.00 1.20 1.34 0.79 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 74 D 7.53 4.34 0.00 2.92 2.78 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 75 H 7.53 4.17 0.00 3.12 3.41 0.00 5.85 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 7.87 4.20 0.00 1.30 1.12 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 1.47 1.52 0.00 77 S 8.75 3.98 0.00 3.80 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.83 3.92 0.00 3.90 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 79 L 7.16 3.75 0.00 1.46 1.57 0.62 0.92 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 80 M 7.82 3.95 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.63 0.00 81 D 8.00 4.41 0.00 2.87 2.66 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 82 I 7.94 3.63 2.04 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 1.54 0.73 1.00 0.00 0.00 83 I 7.63 3.74 2.11 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.77 1.04 0.00 0.00 84 N 7.89 4.56 0.00 2.74 2.88 0.00 0.00 7.09 7.40 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 85 D 7.28 4.64 0.00 2.48 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 86 H 7.83 4.63 0.00 3.18 3.33 0.00 5.73 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 87 S 8.05 4.78 0.00 3.85 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.78 4.66 0.00 4.03 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.32 3.49 1.83 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 -0.04 0.00 0.00 0.85 0.00 0.00 90 D 7.92 4.33 0.00 2.76 2.65 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 0.00 0.00 0.00 0.00 91 R 7.87 3.95 0.00 2.11 1.97 0.00 3.24 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.50 0.00 92 L 8.00 3.97 0.00 1.98 1.81 1.10 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.07 3.89 0.00 1.93 1.81 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.66 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.41 1.60 7.81 94 Q 7.88 3.95 0.00 2.20 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 95 T 7.66 3.95 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 1.17 0.00 0.00 96 L 8.24 3.92 0.00 1.76 1.62 0.41 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.55 3.82 0.00 1.82 1.88 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.45 7.81 98 R 7.58 3.85 0.00 2.03 2.14 0.00 3.16 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 99 H 8.91 4.31 0.00 3.15 3.35 0.00 5.67 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 0.00 100 I 8.15 3.75 1.97 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.74 1.07 0.00 0.00 101 Q 7.97 4.29 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 102 E 8.16 4.03 0.00 2.24 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 2.38 2.66 0.00 103 M 7.80 4.22 0.00 1.67 2.35 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 2.63 2.66 0.00 104 F 8.23 4.72 0.00 3.22 3.19 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 0.00 0.00 0.00 0.00 105 A 8.26 3.96 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 0.00 106 G 10.01 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 0.00 107 V 7.50 4.94 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 0.58 0.00 0.00 0.96 0.00 0.00 108 I 8.04 3.86 0.88 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.66 0.27 0.00 0.00 109 D 8.24 5.35 0.00 2.74 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 0.00 110 D 8.84 4.29 0.00 2.73 2.78 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 0.00 111 E 8.17 3.93 0.00 2.06 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 2.39 2.38 0.00 112 F 8.27 3.95 0.00 3.26 3.21 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 0.00 113 I 7.72 3.83 1.91 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 1.71 0.82 0.94 0.00 0.00 114 E 8.28 3.98 0.00 2.13 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 2.31 2.39 0.00 115 K 8.31 3.83 0.00 1.76 1.67 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.52 7.81 116 R 7.66 3.90 0.00 2.03 2.00 0.00 2.95 0.00 0.00 2.91 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 117 N 7.88 4.33 0.00 2.94 2.87 0.00 0.00 6.98 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.94 3.89 0.00 1.89 1.94 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.61 0.82 0.00 0.00 127 G 8.02 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 0.00 128 L 7.91 4.45 0.00 1.61 1.78 1.04 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 129 L 8.63 4.19 0.00 2.05 1.65 1.17 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.39 0.00 2.27 2.33 0.00 3.71 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 2.07 2.04 0.00 131 K 7.91 3.95 0.00 1.64 1.90 0.00 0.87 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.16 0.40 7.81 132 W 7.86 4.34 0.00 3.35 3.21 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 0.00 133 Y 8.14 4.20 0.00 3.11 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 0.00 134 M 8.31 4.36 0.00 2.28 2.39 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 2.73 2.69 0.00 135 G 8.07 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 0.00 0.00 0.00 136 A 7.69 3.66 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 0.00 137 F 7.71 4.25 0.00 3.22 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 0.00 138 Q 7.75 4.21 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 139 E 8.28 3.88 0.00 2.01 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 2.25 2.46 0.00 140 L 7.75 4.08 0.00 2.08 1.97 1.18 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.83 4.01 0.00 1.81 1.89 1.01 0.70 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 0.00 142 L 8.26 3.98 0.00 1.87 1.71 0.92 1.05 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 0.00 143 S 7.75 4.09 0.00 4.05 3.90 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 0.00 144 M 7.89 3.65 0.00 1.83 2.12 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.59 0.00 145 I 7.87 3.73 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.17 0.95 0.00 0.00 146 D 8.16 4.31 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.39 3.79 1.65 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.20 0.86 0.00 0.00 148 Y 7.51 4.31 0.00 3.13 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 0.00 149 E 8.23 3.94 0.00 2.02 2.18 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 2.35 2.38 0.00 150 A 7.61 4.66 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 0.00 151 S 8.74 4.61 0.00 3.86 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 I 7.64 4.49 1.90 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.66 0.90 0.00 0.00 153 T 8.60 4.07 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 1.22 0.00 0.00 154 N 8.00 4.43 0.00 2.79 2.70 0.00 0.00 6.80 7.15 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 0.00 155 Q 8.86 3.96 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.62 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 156 Q 8.17 3.97 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.63 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 157 E 8.35 4.11 0.00 2.12 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 2.39 2.54 0.00 158 L 7.87 3.87 0.00 1.90 1.82 0.95 0.53 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 0.00 159 L 8.25 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 1.71 0.00 0.00 0.00 0.00 0.00 0.00 160 K 8.60 3.76 0.00 1.87 1.91 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.48 7.81 161 A 7.83 3.84 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 0.00 162 I 7.31 3.77 2.06 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 1.73 0.97 0.98 0.00 0.00 163 K 8.60 4.14 0.00 1.77 1.86 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.49 7.81 164 A 7.63 3.99 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 0.00 165 T 7.93 3.95 4.61 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 1.48 0.00 0.00 166 T 7.95 4.07 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 1.32 0.00 0.00 167 K 7.73 3.94 0.00 1.94 1.85 0.00 1.65 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.64 1.65 7.81 168 I 7.72 3.68 1.72 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.16 0.75 0.00 0.00 169 L 7.56 3.69 0.00 1.83 1.48 0.98 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 170 N 7.76 4.95 0.00 2.88 2.91 0.00 0.00 6.36 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 L 8.39 3.92 0.00 1.85 1.78 0.88 1.00 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 0.00 172 E 8.01 4.02 0.00 2.04 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 2.46 2.50 0.00 173 Q 7.73 4.30 0.00 2.28 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.11 0.00 174 Q 8.23 4.04 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 175 L 7.89 4.05 0.00 1.82 1.79 1.09 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 176 V 8.02 3.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 1.15 0.00 0.00 177 L 7.32 4.77 0.00 1.67 1.59 1.03 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 178 E 8.34 4.20 0.00 2.08 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 2.24 2.30 0.00