NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0710 8.0549 120.3908 62.6516 32.6276 174.9370 2 L 4.2691 8.2443 126.9997 51.9426 43.0636 175.5368 3 S 4.5753 9.1786 117.2632 57.5729 66.4899 174.7655 4 E 4.2866 8.8134 122.7039 59.5698 29.3687 179.1953 5 G 3.6539 8.0815 105.3449 47.7692 0.0000 175.4585 6 E 3.9725 7.8586 120.7412 58.9433 29.4240 179.4264 7 W 4.3378 8.2051 119.0821 59.8272 29.0416 178.5345 8 Q 4.1563 8.3290 118.1102 59.1138 27.7867 178.9197 9 L 4.0719 7.8959 119.4983 57.6284 41.5721 179.9140 10 V 3.7874 7.7403 117.7635 66.2291 31.7685 178.2961 11 L 4.2793 8.6500 118.9313 57.7176 41.1506 179.0687 12 H 4.2908 8.4019 118.4292 59.2005 30.2633 177.3598 13 V 3.7463 7.7194 119.7649 64.2911 31.4676 178.2055 14 W 3.9442 8.4787 128.8784 59.9993 30.2865 177.8105 15 A 4.0684 7.8579 119.8862 54.6565 17.9887 179.4737 16 K 3.9470 7.6527 117.1885 59.3979 32.1934 179.5081 17 V 2.8570 7.1379 117.9609 65.8191 31.0595 177.5338 18 E 3.8879 7.5186 116.0208 58.2248 29.3055 178.4773 19 A 4.2062 7.6287 120.2448 53.5740 20.0649 177.6364 20 D 4.7003 7.8381 115.9033 52.1646 43.2872 175.7758 21 V 3.4706 7.8837 124.4285 64.5511 31.8680 178.2588 22 A 4.0818 8.0371 121.3980 54.6552 18.3779 179.6784 23 G 3.9956 8.0999 104.9960 47.9283 0.0000 175.5473 24 H 4.2205 8.3751 119.0936 58.1736 28.6999 178.1064 25 G 3.7660 8.4778 108.0698 47.9882 0.0000 175.7399 26 Q 4.0310 8.0491 120.7924 58.7325 28.7766 178.5344 27 D 4.3276 7.9301 119.5690 57.4664 40.8692 179.1170 28 I 3.5567 7.7441 120.0128 64.2276 37.0719 178.6529 29 W 3.5074 7.9722 119.5758 59.5426 28.8350 178.7337 30 I 3.7736 8.0544 120.1106 64.2936 36.4920 178.3328 31 R 3.7991 7.8874 119.5885 59.2301 29.8407 178.3494 32 L 3.7722 7.4240 119.8547 58.3026 41.9387 179.0264 33 F 4.6750 7.8990 117.7767 60.5720 38.5528 177.8811 34 K 4.0532 8.0610 117.5360 59.3569 31.9868 179.2419 35 S 4.2790 8.0068 114.6463 60.2401 64.4587 174.5157 36 H 4.8114 8.5364 118.1358 51.8284 29.1840 171.7562 37 P 4.5657 0.0000 0.0000 64.8152 31.5271 177.5593 38 E 4.1203 8.3516 116.1660 59.7378 29.3929 179.1745 39 T 3.9668 8.1026 110.5060 64.4734 68.7805 176.1052 40 L 4.0360 8.1709 123.1601 57.8003 41.8001 178.4657 41 E 4.2320 8.1796 117.4893 58.5935 29.4505 178.7350 42 K 4.4554 8.2765 117.8761 57.3544 32.6025 177.3467 43 F 4.5256 8.1834 118.3281 55.5726 39.1902 175.9777 44 D 4.5531 8.4546 122.7843 55.5755 40.8144 177.2698 45 R 4.3054 7.6276 117.9528 56.0687 31.1774 175.9260 46 F 5.1611 7.6269 113.7358 57.1470 40.9864 176.7133 47 K 3.9141 8.3828 120.3607 59.6374 32.2464 177.7847 48 H 4.4434 8.2595 113.7565 57.0992 29.1247 175.5933 49 L 3.8788 7.5871 121.4623 55.0616 41.7647 176.5960 50 K 4.2043 9.9358 124.7345 58.2595 33.1621 177.5220 51 T 4.5937 7.4459 107.7514 59.5884 72.6168 174.6040 52 E 3.9540 8.5534 120.7499 59.0331 29.4283 178.6167 53 A 3.9575 7.8807 120.6005 55.2262 18.3719 179.1835 54 E 3.9091 7.6554 115.7377 59.7768 29.7799 179.3315 55 M 4.1043 7.9155 118.4680 58.3377 31.9020 178.8044 56 K 3.9901 8.0484 117.6717 58.6368 32.3848 177.6808 57 A 4.5055 7.3644 119.0188 51.6423 19.4395 177.0011 58 S 4.1672 7.5115 113.8994 57.9374 62.8840 174.5557 59 E 3.9953 8.8739 128.9332 59.2925 29.5018 178.2840 60 D 4.4654 8.1378 118.7914 57.2367 41.0097 178.2456 61 L 3.5130 8.0760 120.9604 57.6774 42.0085 178.9660 62 K 3.9273 7.7645 119.8051 59.4391 32.1289 179.0591 63 K 4.0533 8.1424 118.8940 59.4989 31.8837 178.9065 64 H 4.2759 8.4769 118.8486 59.1724 29.7326 177.4590 65 G 3.7322 8.0537 107.5790 47.8955 0.0000 175.8034 66 V 3.6369 7.7694 120.4435 66.0773 31.5693 178.2642 67 T 3.9340 8.1064 115.5893 66.5071 68.2754 176.8109 68 V 3.6805 8.2289 120.4915 66.2715 31.6767 178.2448 69 L 4.3187 8.3796 118.7946 57.9907 41.3904 179.7766 70 T 4.0050 8.2201 115.8145 66.5523 68.3858 176.6111 71 A 4.0286 7.9516 122.3580 55.0517 18.3490 179.4758 72 L 3.7719 8.1577 119.0720 58.0012 42.1463 179.3463 73 G 3.3807 8.6090 105.9353 47.7924 0.0000 175.4671 74 A 4.0272 7.7841 122.1824 54.7287 18.5455 179.6660 75 I 3.7740 7.3866 117.8260 64.6340 37.3002 178.4600 76 L 3.9390 7.7403 119.8581 57.8875 41.2348 179.5874 77 K 4.0185 7.6869 116.2097 58.0439 32.2619 178.4789 78 K 4.0186 8.0202 118.5888 55.5593 32.7777 176.3816 79 K 2.0000 8.1452 118.3383 56.4313 29.8627 175.3203 80 G 3.9622 8.0296 105.8874 45.7549 0.0000 173.9920 81 H 5.1858 7.5587 118.4544 54.5005 27.5306 174.8146 82 H 5.5277 7.2142 110.6846 54.7310 29.5592 176.8927 83 E 3.9727 8.5229 120.6882 60.4855 28.9978 178.8272 84 A 4.0363 7.9737 118.5466 55.4637 18.5967 179.0878 85 E 4.1140 8.1670 116.4797 59.4020 29.6176 179.4368 86 L 4.0924 8.1731 119.2245 57.5155 41.7293 179.0603 87 K 3.8583 7.8512 118.8410 59.4923 32.1273 177.3730 88 P 4.3336 0.0000 0.0000 65.7610 31.1703 178.1457 89 L 4.0775 7.5517 117.2391 57.9687 42.0395 178.7625 90 A 4.2844 8.6901 121.2578 54.9553 18.2055 179.4791 91 Q 3.8424 8.2739 118.4720 59.4031 29.1757 178.5863 92 S 4.0051 7.9109 114.8445 61.9145 62.9732 176.0816 93 H 4.2322 8.5989 119.2997 57.5767 28.2208 177.2709 94 A 3.1284 7.5701 121.8252 53.9354 19.1468 178.8077 95 T 3.9312 7.6512 112.7736 64.9191 69.1441 175.8796 96 K 4.1133 7.4402 119.8099 58.6127 33.1302 177.2215 97 H 4.1872 7.9693 115.6718 56.6186 29.3976 175.8402 98 K 3.1509 7.5121 116.8313 57.0481 28.6545 175.7161 99 I 4.3457 8.1103 119.0430 58.8420 38.3195 175.0834 100 P 4.6752 0.0000 0.0000 62.2414 32.1616 177.4286 101 I 3.6252 8.2522 120.2093 64.4826 36.9758 178.4724 102 K 3.6466 7.8884 119.9708 59.6420 32.0056 178.1597 103 Y 4.2603 7.9497 116.7151 60.5322 37.9042 177.8521 104 L 4.2374 7.9357 120.1917 57.4032 41.7565 179.1351 105 E 4.0450 7.8649 118.4371 59.2263 29.5887 179.0723 106 F 4.5177 7.7973 117.7312 60.7153 38.9363 177.5581 107 I 3.6682 7.8889 117.9226 63.7161 37.7183 178.1227 108 S 4.1318 8.0547 116.3036 61.4108 62.6633 176.0996 109 E 3.9717 8.2231 121.8917 59.2558 29.3844 178.7904 110 A 3.9708 7.8651 120.5901 54.9840 18.3844 179.7067 111 I 3.6070 7.9260 118.4784 64.6171 37.1589 178.6808 112 I 3.8700 7.7426 120.5584 64.7320 37.0465 178.0053 113 H 4.1193 8.2306 118.9777 59.2672 29.6844 177.5531 114 V 3.5955 7.8708 120.1198 65.9331 31.3206 178.0649 115 L 3.7720 7.8589 118.8230 57.8713 41.0574 178.9606 116 H 4.4243 8.1132 117.5161 59.2524 29.8454 177.3591 117 S 4.2128 7.7156 116.0721 61.5972 62.9271 176.4479 118 R 4.0730 7.7814 118.6095 57.5962 31.3042 176.4024 119 H 5.0379 8.2258 115.9160 53.6995 29.4694 172.8216 120 P 4.3075 0.0000 0.0000 65.8956 31.6213 179.3656 121 G 3.6149 8.1442 106.5748 47.5122 0.0000 173.6840 122 N 4.9675 8.0595 114.5586 52.9506 39.5353 174.8774 123 F 4.9947 7.7484 118.7927 56.3114 39.3514 174.0463 124 G 3.9201 7.5515 109.9499 43.5642 0.0000 171.5247 125 A 3.8918 8.4476 120.6532 55.5914 18.2427 179.7048 126 D 4.2169 7.9604 116.4199 57.2990 40.9944 178.7129 127 A 3.9374 7.7380 120.9024 55.1450 18.4168 179.3284 128 Q 3.2613 7.8808 118.5113 58.7180 28.9732 178.5455 129 G 3.5357 7.8585 106.6823 47.7430 0.0000 175.5456 130 A 3.8490 7.7842 123.2763 54.9323 18.4224 179.3968 131 M 3.9930 8.1056 116.7664 58.7378 32.3412 177.9198 132 N 4.3115 8.5383 117.6580 56.6017 39.1666 176.6969 133 K 3.8380 8.0090 120.8117 59.4088 32.2402 178.6501 134 A 3.8089 8.0033 121.0726 55.1430 18.2346 179.6900 135 L 4.1070 8.0561 117.4903 57.8726 41.5782 179.5802 136 E 3.9960 8.4196 118.8199 58.9654 29.3650 179.0588 137 L 3.9488 7.8386 120.6356 57.9346 42.1957 178.6495 138 F 4.1468 8.3202 120.5649 61.6051 39.3559 177.2732 139 R 3.5585 8.2426 117.6935 58.9632 29.6754 179.0343 140 K 3.8363 8.3043 119.7561 59.6610 32.3107 178.7084 141 D 4.3302 8.0620 119.1183 57.0826 40.6169 178.9231 142 I 3.4356 7.4406 120.2808 64.1671 37.0708 178.2489 143 A 3.5779 7.7488 121.3725 54.8074 18.1999 179.6332 144 A 3.8908 7.6349 119.4736 55.1639 18.4180 179.7330 145 K 3.9119 7.9291 117.9720 59.8090 32.1926 178.1864 146 Y 4.3705 8.4201 117.5348 61.3417 37.8651 178.8503 147 K 3.9217 8.0022 119.4914 59.7968 32.1077 178.5671 148 E 4.0300 7.8359 116.9408 59.2455 29.4739 178.6796 149 L 4.3579 8.1108 116.9962 55.1788 41.9574 177.7211 150 G 3.9411 8.0992 107.4598 45.2363 0.0000 172.2572 151 Y 4.7848 7.8400 120.3031 55.1140 40.6844 175.5557 152 Q 3.8017 8.4057 128.5969 57.2189 29.5741 175.9737 153 G 3.7816 6.0712 109.9619 45.4944 0.0000 172.8119 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 V 8.05 4.07 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 1.04 0.00 0.00 0.95 0.00 0.00 2 L 8.24 4.27 0.00 0.93 0.86 0.62 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.18 4.58 0.00 4.00 3.97 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 0.00 0.00 0.00 4 E 8.81 4.29 0.00 2.19 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 2.43 2.51 0.00 5 G 8.08 3.65 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 0.00 0.00 0.00 6 E 7.86 3.97 0.00 1.90 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 2.23 2.26 0.00 7 W 8.21 4.34 0.00 3.55 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 8 Q 8.33 4.16 0.00 2.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.72 2.61 0.00 9 L 7.90 4.07 0.00 1.91 1.76 0.92 1.04 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 10 V 7.74 3.79 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.96 0.00 0.00 11 L 8.65 4.28 0.00 1.78 1.82 0.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.40 4.29 0.00 3.27 3.60 0.00 5.94 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.72 3.75 2.40 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 1.03 0.00 0.00 0.86 0.00 0.00 14 W 8.48 3.94 0.00 3.68 3.18 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 15 A 7.86 4.07 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 16 K 7.65 3.95 0.00 1.58 1.61 0.00 1.63 0.00 0.00 1.48 0.00 0.00 2.74 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.42 7.81 17 V 7.14 2.86 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.48 0.00 0.00 18 E 7.52 3.89 0.00 2.02 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 2.20 2.31 0.00 19 A 7.63 4.21 1.28 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 0.00 0.00 0.00 20 D 7.84 4.70 0.00 2.73 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.88 3.47 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 0.94 0.00 0.00 22 A 8.04 4.08 1.34 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 0.00 0.00 23 G 8.10 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.38 4.22 0.00 3.26 3.26 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.48 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.05 4.03 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 27 D 7.93 4.33 0.00 2.79 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 28 I 7.74 3.56 1.77 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 1.44 0.88 0.54 0.00 0.00 29 W 7.97 3.51 0.00 3.37 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 30 I 8.05 3.77 1.92 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 1.45 0.98 0.92 0.00 0.00 31 R 7.89 3.80 0.00 1.92 2.05 0.00 2.99 0.00 0.00 2.86 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 32 L 7.42 3.77 0.00 1.49 1.30 0.85 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.90 4.68 0.00 3.12 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 34 K 8.06 4.05 0.00 1.90 1.84 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.71 1.62 7.81 35 S 8.01 4.28 0.00 3.68 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.54 4.81 0.00 2.98 3.01 0.00 5.65 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 37 P 0.00 4.57 0.00 2.17 2.16 0.00 3.86 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 2.12 2.22 0.00 38 E 8.35 4.12 0.00 2.35 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 2.36 2.57 0.00 39 T 8.10 3.97 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 40 L 8.17 4.04 0.00 1.68 1.85 0.12 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.18 4.23 0.00 2.25 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 0.00 2.55 2.58 0.00 42 K 8.28 4.46 0.00 1.91 1.83 0.00 1.87 0.00 0.00 2.01 0.00 0.00 3.20 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.98 2.05 7.81 43 F 8.18 4.53 0.00 3.20 2.92 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 44 D 8.45 4.55 0.00 2.61 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 45 R 7.63 4.31 0.00 1.48 1.28 0.00 3.02 0.00 0.00 3.06 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.40 0.00 46 F 7.63 5.16 0.00 2.85 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.38 3.91 0.00 1.89 2.24 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.44 7.81 48 H 8.26 4.44 0.00 3.30 3.45 0.00 5.53 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 49 L 7.59 3.88 0.00 1.54 1.54 0.73 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.94 4.20 0.00 1.78 1.83 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.54 7.81 51 T 7.45 4.59 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 52 E 8.55 3.95 0.00 2.05 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 2.37 2.38 0.00 53 A 7.88 3.96 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 54 E 7.66 3.91 0.00 1.99 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 2.33 2.33 0.00 55 M 7.92 4.10 0.00 2.09 2.25 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 2.74 2.45 0.00 56 K 8.05 3.99 0.00 1.90 1.93 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 57 A 7.36 4.51 1.34 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 0.00 0.00 58 S 7.51 4.17 0.00 3.87 3.81 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 59 E 8.87 4.00 0.00 2.14 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 2.39 2.47 0.00 60 D 8.14 4.47 0.00 3.04 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.08 3.51 0.00 0.88 1.52 0.20 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.76 3.93 0.00 1.81 1.98 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 63 K 8.14 4.05 0.00 2.06 1.88 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.69 7.81 64 H 8.48 4.28 0.00 3.36 3.35 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.05 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 0.00 0.00 0.00 66 V 7.77 3.64 2.26 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 1.05 0.00 0.00 0.99 0.00 0.00 67 T 8.11 3.93 4.41 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 1.28 0.00 0.00 68 V 8.23 3.68 2.52 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 1.38 0.00 0.00 1.05 0.00 0.00 69 L 8.38 4.32 0.00 1.83 1.89 0.94 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.22 4.00 4.44 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 1.27 0.00 0.00 71 A 7.95 4.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.16 3.77 0.00 1.69 1.84 0.35 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.61 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 0.00 0.00 0.00 74 A 7.78 4.03 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 75 I 7.39 3.77 1.87 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 1.55 0.75 0.94 0.00 0.00 76 L 7.74 3.94 0.00 1.34 1.56 -0.21 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.69 4.02 0.00 1.79 1.79 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.56 7.81 78 K 8.02 4.02 0.00 1.84 1.81 0.00 1.94 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.55 1.74 7.81 79 K 8.15 2.00 0.00 1.26 0.74 0.00 1.37 0.00 0.00 1.31 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 0.75 7.81 80 G 8.03 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 81 H 7.56 5.19 0.00 3.20 3.22 0.00 5.58 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.21 5.53 0.00 3.32 3.48 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.52 3.97 0.00 2.10 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 2.50 0.00 84 A 7.97 4.04 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 85 E 8.17 4.11 0.00 2.27 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 2.41 2.48 0.00 86 L 8.17 4.09 0.00 1.88 1.72 0.80 0.87 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 87 K 7.85 3.86 0.00 1.77 1.92 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.68 7.81 88 P 0.00 4.33 0.00 2.31 2.34 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.06 0.00 89 L 7.55 4.08 0.00 1.95 1.98 1.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.69 4.28 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.27 3.84 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 92 S 7.91 4.01 0.00 4.03 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 93 H 8.60 4.23 0.00 3.61 3.66 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.57 3.13 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 95 T 7.65 3.93 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 1.11 0.00 0.00 96 K 7.44 4.11 0.00 1.53 1.62 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.20 1.33 7.81 97 H 7.97 4.19 0.00 3.07 3.19 0.00 5.86 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 98 K 7.51 3.15 0.00 1.78 1.69 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.96 1.36 7.81 99 I 8.11 4.35 2.17 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 1.46 1.02 1.23 0.00 0.00 100 P 0.00 4.68 0.00 2.01 2.05 0.00 3.35 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 1.11 1.26 0.00 101 I 8.25 3.63 1.77 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.68 0.79 0.00 0.00 102 K 7.89 3.65 0.00 1.66 1.63 0.00 1.70 0.00 0.00 1.90 0.00 0.00 3.37 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.66 1.24 7.81 103 Y 7.95 4.26 0.00 3.28 3.10 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 0.00 0.00 0.00 0.00 104 L 7.94 4.24 0.00 1.86 1.79 0.78 1.14 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 0.00 105 E 7.86 4.05 0.00 1.99 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 2.36 2.50 0.00 106 F 7.80 4.52 0.00 3.17 2.82 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 0.00 0.00 0.00 0.00 107 I 7.89 3.67 1.70 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.97 0.93 0.00 0.00 108 S 8.05 4.13 0.00 4.19 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 0.00 109 E 8.22 3.97 0.00 2.24 2.26 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 2.33 2.37 0.00 110 A 7.87 3.97 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.93 3.61 2.06 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 1.51 0.95 1.00 0.00 0.00 112 I 7.74 3.87 2.11 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 1.68 0.83 1.11 0.00 0.00 113 H 8.23 4.12 0.00 3.24 3.40 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.87 3.60 2.03 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 0.89 0.00 0.00 0.96 0.00 0.00 115 L 7.86 3.77 0.00 0.82 0.41 0.74 0.65 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 0.00 116 H 8.11 4.42 0.00 3.54 3.56 0.00 5.75 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.72 4.21 0.00 3.85 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 0.00 118 R 7.78 4.07 0.00 1.46 1.62 0.00 3.10 0.00 0.00 2.96 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 119 H 8.23 5.04 0.00 3.17 3.16 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.31 0.00 2.20 2.26 0.00 3.74 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 121 G 8.14 3.61 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 0.00 0.00 0.00 122 N 8.06 4.97 0.00 2.80 2.92 0.00 0.00 6.68 7.00 0.00 0.00 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 F 7.75 4.99 0.00 3.00 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 0.00 124 G 7.55 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 0.00 125 A 8.45 3.89 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 0.00 126 D 7.96 4.22 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 0.00 127 A 7.74 3.94 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 0.00 128 Q 7.88 3.26 0.00 1.42 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.14 0.00 129 G 7.86 3.54 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 0.00 130 A 7.78 3.85 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 0.00 131 M 8.11 3.99 0.00 2.49 2.38 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 2.77 2.91 0.00 132 N 8.54 4.31 0.00 2.89 2.93 0.00 0.00 6.86 6.23 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 0.00 133 K 8.01 3.84 0.00 1.88 1.81 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 1.35 7.81 134 A 8.00 3.81 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.06 4.11 0.00 1.90 1.79 0.98 0.66 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 0.00 136 E 8.42 4.00 0.00 2.13 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 2.33 2.59 0.00 137 L 7.84 3.95 0.00 1.88 1.98 0.98 1.08 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 0.00 138 F 8.32 4.15 0.00 3.15 3.28 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 0.00 139 R 8.24 3.56 0.00 1.98 1.85 0.00 3.15 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.96 0.00 140 K 8.30 3.84 0.00 1.83 1.94 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.43 7.81 141 D 8.06 4.33 0.00 2.66 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 0.00 142 I 7.44 3.44 1.22 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 -0.36 0.28 0.00 0.00 143 A 7.75 3.58 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 0.00 144 A 7.63 3.89 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 0.00 145 K 7.93 3.91 0.00 2.15 1.94 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.58 7.81 146 Y 8.42 4.37 0.00 3.10 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.00 3.92 0.00 1.85 2.00 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 7.84 4.03 0.00 2.26 2.03 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 2.36 2.38 0.00 149 L 8.11 4.36 0.00 1.76 1.70 0.96 1.04 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 0.00 150 G 8.10 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 0.00 151 Y 7.84 4.78 0.00 2.57 2.57 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 0.00 152 Q 8.41 3.80 0.00 1.91 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.43 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 153 G 6.07 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