NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5853 0.0000 0.0000 62.5436 32.6982 175.0469 2 I 4.1264 8.0733 119.0663 58.4287 37.9607 174.1432 3 I 4.6777 8.3419 117.8868 59.2071 41.2439 175.1291 4 D 5.0041 8.4663 119.1706 52.6943 39.9817 174.9431 5 Q 4.5943 8.0123 115.5457 56.0921 31.1356 172.6938 6 G 3.6959 8.7023 104.5642 43.4261 0.0000 171.6317 7 P 4.4149 0.0000 0.0000 62.2614 31.7868 176.0189 8 L 4.1291 8.1373 119.9575 53.9622 42.1616 175.7287 9 P 4.4880 0.0000 0.0000 62.6419 32.1154 175.5330 10 T 4.4673 8.0247 116.3171 61.6510 70.3376 174.4108 11 L 4.2634 8.3236 126.9206 54.2767 42.1488 177.7048 12 T 4.2626 8.8529 115.6330 60.9126 71.2172 175.3266 13 D 4.4246 8.5496 120.5716 57.3382 40.7482 179.2980 14 G 3.5807 7.9736 105.7762 47.7694 0.0000 175.1730 15 D 4.3224 8.0484 121.5145 57.1907 40.8182 179.1783 16 K 3.8140 8.0015 118.7381 59.1970 31.9229 179.3473 17 K 3.8692 8.1925 119.7019 59.3716 32.2241 178.7506 18 A 4.0130 8.0350 120.9775 55.2326 18.2524 179.6116 19 I 3.3918 7.6494 118.2701 64.6214 36.9494 178.3818 20 N 4.4790 8.1850 115.4044 55.2804 38.3774 176.8648 21 K 4.2211 7.6351 120.6008 58.9725 32.8831 178.2528 22 I 4.1465 7.9593 119.8001 63.5540 37.2838 177.8354 23 W 4.5973 8.8170 129.5867 60.3501 30.5305 175.9181 24 P 4.3235 0.0000 0.0000 65.8706 30.5039 178.3244 25 K 4.0118 7.5320 115.9794 59.3773 32.3483 178.8136 26 I 3.1928 7.2176 119.5885 64.2827 36.9480 177.3404 27 Y 4.1895 7.4275 119.5173 60.6549 38.6133 178.1911 28 K 4.1795 8.1027 118.2162 58.6748 33.4632 176.5854 29 E 4.6286 8.2834 120.5243 54.9547 30.5286 177.0874 30 Y 3.4044 7.8582 119.5251 59.9609 38.0437 177.3312 31 E 3.5368 6.6166 119.6305 59.2760 29.5439 179.0063 32 Q 3.7647 7.4971 118.8565 59.0915 29.1793 177.5508 33 Y 3.9472 7.6409 118.1024 60.9266 38.0106 178.5105 34 S 4.1426 7.8493 115.3445 61.3837 62.8751 176.3039 35 L 3.8258 7.6722 124.0134 57.8357 41.8214 178.5137 36 N 4.2233 8.2936 116.7165 56.3931 38.4708 177.3905 37 I 3.6563 7.7967 120.9466 64.3671 37.1627 178.2761 38 L 4.1116 7.7460 120.5639 58.1838 41.9461 178.9243 39 L 3.9372 8.1544 119.1564 57.8539 41.4523 179.7387 40 R 3.9475 8.2524 118.1241 59.1471 29.9198 178.8323 41 F 4.4739 8.4537 120.4335 61.5817 39.3173 177.2726 42 L 3.7454 8.2985 118.5966 57.3944 41.1006 179.6762 43 K 3.9593 7.7939 118.0657 59.5020 32.1044 178.8963 44 C 4.1487 8.0994 116.3576 61.0894 29.4639 174.1232 45 F 4.8157 7.8743 119.1662 53.9131 38.9504 173.4492 46 P 4.4209 0.0000 0.0000 64.6926 31.1617 177.6144 47 Q 4.1407 8.1391 115.0923 58.3796 28.4810 177.6904 48 A 3.2142 7.7484 122.8312 53.6800 18.4396 178.9571 49 Q 4.1461 7.9727 118.1531 58.9000 28.8388 177.9237 50 A 4.1212 7.2963 120.5180 54.4111 18.4579 178.7710 51 S 4.3444 7.6945 111.9805 58.5971 64.2561 174.7310 52 F 4.5803 7.5875 121.9840 53.7333 39.0580 173.4408 53 P 4.2663 0.0000 0.0000 64.7351 31.1878 179.5169 54 K 4.2780 7.8961 116.7006 58.5406 32.3113 177.9705 55 F 5.0210 8.0928 112.2878 57.2117 39.1534 176.4462 56 S 4.2713 7.9197 117.7882 61.3223 62.8198 175.4998 57 T 4.4656 7.8201 109.0434 61.1125 69.1007 173.9890 58 K 4.3579 7.8677 124.5826 55.3826 33.0370 175.6726 59 K 4.5015 8.0847 126.5490 55.2786 35.6066 172.6660 60 S 3.9806 8.9227 124.9994 58.9903 64.0462 170.3119 61 N 4.8277 8.6174 117.6668 54.2951 36.0463 176.6237 62 L 3.9582 7.2214 118.8224 57.5298 41.9195 179.7559 63 E 3.9131 8.0822 115.5574 58.5612 29.5022 177.4650 64 Q 4.2695 7.6182 116.4121 55.7749 29.7361 175.5814 65 D 4.4142 7.7301 119.6305 53.2471 41.9986 174.6720 66 P 4.2263 0.0000 0.0000 65.8459 31.3107 178.4941 67 E 4.0199 8.6424 117.5184 59.2046 29.3870 179.5936 68 V 2.6758 7.4527 117.7678 65.6137 31.6441 178.0685 69 K 3.8608 7.9296 118.2717 59.6755 31.8928 178.8871 70 H 4.1000 8.4794 118.7172 59.2052 29.9098 176.9599 71 Q 4.0579 8.4155 121.4067 59.2075 28.8908 178.1930 72 A 4.0846 8.0671 121.8805 55.3461 18.4309 180.0808 73 V 3.8320 7.8718 117.5341 64.6981 31.3933 178.8335 74 V 3.6825 7.9543 119.2230 65.8723 31.5038 178.1354 75 I 3.8820 7.8700 119.1246 64.4094 36.9608 178.0655 76 F 4.5336 8.6051 121.5132 61.8006 39.2037 176.9541 77 N 4.6101 9.0940 116.4224 56.1057 38.2895 177.4225 78 K 3.9412 8.0665 121.2206 59.4739 32.2900 179.0622 79 V 3.2537 7.6783 118.2193 65.8071 31.3352 177.4255 80 N 4.1361 8.3474 117.0768 56.6375 38.6019 176.5866 81 E 3.9181 8.0648 119.0407 59.5543 29.9135 179.1325 82 I 3.6892 7.5531 119.5885 64.4247 36.9004 178.5755 83 I 3.3674 7.2072 119.4633 64.2489 36.9068 177.9294 84 N 4.5131 7.8862 115.8639 54.6839 38.7513 175.2292 85 S 4.7020 7.8836 116.1336 57.8667 63.4286 175.8838 86 M 3.9635 8.1260 121.3822 58.9146 31.9216 177.3792 87 D 4.4929 7.8593 116.8469 55.0765 41.8794 176.2624 88 N 4.8024 7.7937 119.3770 50.9611 38.4919 174.3331 89 Q 3.9622 8.3093 122.2525 58.6151 29.0894 177.9112 90 E 3.9091 8.0974 118.8712 59.3239 29.4665 178.8865 91 E 3.8737 8.0415 118.7058 59.3214 29.7876 178.6729 92 I 3.6011 7.4987 119.3163 64.4472 37.0981 178.3046 93 I 3.6055 7.8136 120.5218 64.2067 36.9112 178.0155 94 K 3.7685 8.0941 120.2222 59.7796 32.1300 178.4033 95 S 4.0408 8.1379 113.0093 61.7137 62.3435 176.3516 96 L 4.0462 8.0286 121.2109 57.3661 41.3943 179.6681 97 K 3.9913 8.2654 119.0566 59.1870 32.0642 178.8530 98 D 4.2778 7.9045 118.1618 57.3115 41.2170 178.1121 99 L 4.0520 7.8358 120.4464 57.9925 42.1263 178.8089 100 S 4.2431 8.1421 113.3440 61.5071 62.3659 175.9548 101 Q 3.8596 7.9782 121.9597 58.9881 28.7155 178.1591 102 K 3.6456 7.8874 120.2452 59.7443 32.2036 178.6048 103 H 4.4535 8.4164 116.5194 58.5916 28.4811 177.7242 104 K 3.6965 8.0236 121.6948 59.4928 31.8492 178.8305 105 T 4.0081 7.6502 108.6298 63.4077 69.3134 176.0590 106 V 3.8100 7.2245 119.8310 65.1010 31.9846 176.9634 107 F 4.6792 7.8934 116.6741 58.0162 39.3156 175.6653 108 K 4.2242 7.8691 118.1845 56.0806 29.4292 175.0408 109 V 4.1664 8.2549 117.1721 61.4008 33.1984 174.5603 110 D 4.5661 8.6196 126.4670 53.6214 41.0854 177.0726 111 S 3.1841 8.1851 122.2384 60.5243 62.3949 176.0614 112 I 3.4608 7.3369 121.8173 63.6001 37.8360 177.3321 113 W 4.5046 7.5107 119.8332 59.1005 28.7957 178.1867 114 F 4.4387 7.1077 117.3774 60.9114 38.4484 177.7146 115 K 4.0518 8.1566 118.2726 59.4448 31.6140 178.5800 116 E 4.0701 8.1280 118.5805 59.3090 29.4937 178.8714 117 L 3.6725 7.9498 120.3796 58.1271 41.9900 179.0770 118 S 3.8066 8.2649 115.1645 61.5817 62.6384 176.9009 119 S 4.1071 8.1425 117.7985 61.8080 62.6127 176.9077 120 I 3.9283 7.6255 123.2907 63.4557 36.6528 178.3172 121 F 3.9593 8.2369 121.8347 61.2364 39.1543 177.3587 122 V 3.5742 7.8709 118.2974 66.0898 31.0967 178.1546 123 S 4.1414 8.3409 114.1677 61.7089 62.5451 176.5506 124 T 3.9676 7.9622 118.9102 65.9936 68.2566 175.6390 125 I 4.1270 7.3141 111.9844 59.5713 38.4111 175.2246 126 D 4.3424 7.8385 118.4472 55.5669 38.8963 174.0945 127 G 3.8667 8.1273 106.3364 45.2021 0.0000 174.1781 128 G 4.4143 8.4072 108.4769 44.2482 0.0000 174.2146 129 A 4.2370 8.8114 119.7638 55.4241 18.2957 179.7028 130 E 3.8759 8.2505 116.5546 59.8535 29.5424 179.5312 131 F 4.0968 8.3248 117.0749 60.3366 39.0769 177.5743 132 E 4.1667 8.3172 118.3156 59.1281 29.2005 179.2711 133 K 3.9245 8.3011 119.9025 59.2508 32.3030 178.5544 134 L 3.7057 7.6805 120.6203 58.3348 41.9300 179.0520 135 F 3.9492 8.6162 117.3376 59.8131 38.6855 178.0660 136 S 4.3890 7.9028 116.9256 60.9714 62.6467 176.4394 137 I 3.6201 7.5963 122.4632 64.4420 36.8122 178.4873 138 I 3.5063 7.5056 120.4016 64.6560 36.9100 178.4058 139 C 4.0660 8.3839 117.8106 62.6834 27.7176 176.1599 140 I 4.1150 7.6957 122.1581 63.9964 36.8883 178.2343 141 L 4.1030 7.8228 119.7103 57.6741 41.2000 179.4960 142 L 3.8671 7.7367 117.9778 56.7660 41.8495 178.6335 143 R 4.4523 7.7617 116.9815 56.5672 30.2333 178.3288 144 S 4.1887 7.6149 114.4012 61.4823 62.9543 175.5045 145 A 4.1345 8.3754 123.9716 54.0240 18.5843 176.8203 146 Y 4.2082 8.0813 117.8120 58.2906 37.9613 175.3400 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 P 0.00 4.59 0.00 2.23 2.19 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.02 0.00 2 I 8.07 4.13 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 1.72 0.75 0.99 0.00 0.00 3 I 8.34 4.68 1.88 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 1.36 0.98 0.92 0.00 0.00 4 D 8.47 5.00 0.00 2.85 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 5 Q 8.01 4.59 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.97 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 6 G 8.70 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.41 0.00 2.17 2.06 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 8 L 8.14 4.13 0.00 1.62 1.60 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.49 0.00 2.00 1.96 0.00 3.59 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 10 T 8.02 4.47 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 11 L 8.32 4.26 0.00 1.53 1.51 0.74 0.77 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 12 T 8.85 4.26 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 13 D 8.55 4.42 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 14 G 7.97 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.05 4.32 0.00 2.88 2.62 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 16 K 8.00 3.81 0.00 1.87 1.76 0.00 1.59 0.00 0.00 1.47 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.54 7.81 17 K 8.19 3.87 0.00 1.92 1.94 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 18 A 8.04 4.01 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 19 I 7.65 3.39 1.69 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.11 0.42 0.00 0.00 20 N 8.19 4.48 0.00 2.77 2.90 0.00 0.00 7.04 8.47 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 21 K 7.64 4.22 0.00 2.05 1.91 0.00 1.71 0.00 0.00 1.84 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.56 7.81 22 I 7.96 4.15 2.37 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.87 1.01 0.00 0.00 23 W 8.82 4.60 0.00 3.69 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 24 P 0.00 4.32 0.00 2.27 2.20 0.00 3.90 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 25 K 7.53 4.01 0.00 1.87 2.01 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.21 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.54 7.81 26 I 7.22 3.19 0.99 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.40 0.28 0.00 0.00 27 Y 7.43 4.19 0.00 2.34 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 28 K 8.10 4.18 0.00 2.03 2.20 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.67 1.50 7.81 29 E 8.28 4.63 0.00 2.11 1.73 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 2.12 2.21 0.00 30 Y 7.86 3.40 0.00 2.32 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 6.62 3.54 0.00 1.52 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 0.00 2.04 1.47 0.00 32 Q 7.50 3.76 0.00 1.91 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.91 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 33 Y 7.64 3.95 0.00 3.02 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 34 S 7.85 4.14 0.00 4.22 3.76 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 35 L 7.67 3.83 0.00 1.74 1.72 0.79 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.29 4.22 0.00 2.88 2.81 0.00 0.00 7.10 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 37 I 7.80 3.66 1.88 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.91 0.80 0.00 0.00 38 L 7.75 4.11 0.00 1.80 1.62 1.02 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.15 3.94 0.00 1.81 1.65 0.83 1.03 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 40 R 8.25 3.95 0.00 2.17 2.05 0.00 3.14 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 41 F 8.45 4.47 0.00 3.21 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 42 L 8.30 3.75 0.00 1.82 1.66 0.90 0.92 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 43 K 7.79 3.96 0.00 1.85 1.80 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.58 7.81 44 C 8.10 4.15 0.00 2.75 2.25 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 0.00 45 F 7.87 4.82 0.00 2.44 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 46 P 0.00 4.42 0.00 2.13 2.08 0.00 3.85 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 47 Q 8.14 4.14 0.00 2.37 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.70 2.75 0.00 48 A 7.75 3.21 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.97 4.15 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.64 0.00 50 A 7.30 4.12 1.29 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 51 S 7.69 4.34 0.00 3.30 3.45 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 52 F 7.59 4.58 0.00 1.79 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 0.00 0.00 0.00 53 P 0.00 4.27 0.00 2.20 2.31 0.00 3.83 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 54 K 7.90 4.28 0.00 1.87 2.03 0.00 1.79 0.00 0.00 1.94 0.00 0.00 3.09 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.45 7.81 55 F 8.09 5.02 0.00 3.13 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 56 S 7.92 4.27 0.00 4.07 4.20 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 4.47 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 1.23 0.00 0.00 58 K 7.87 4.36 0.00 1.99 1.83 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.86 7.81 59 K 8.08 4.50 0.00 1.71 1.62 0.00 1.94 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.38 7.81 60 S 8.92 3.98 0.00 4.20 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 61 N 8.62 4.83 0.00 2.90 2.88 0.00 0.00 7.10 6.74 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 62 L 7.22 3.96 0.00 1.64 1.52 0.84 0.82 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 63 E 8.08 3.91 0.00 1.98 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 2.20 2.21 0.00 64 Q 7.62 4.27 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.90 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 65 D 7.73 4.41 0.00 2.63 2.46 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 66 P 0.00 4.23 0.00 2.19 2.08 0.00 3.63 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 67 E 8.64 4.02 0.00 2.20 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 2.38 2.75 0.00 68 V 7.45 2.68 1.96 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 0.65 0.00 0.00 -0.12 0.00 0.00 69 K 7.93 3.86 0.00 1.79 1.78 0.00 1.83 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.40 7.81 70 H 8.48 4.10 0.00 3.34 3.34 0.00 5.60 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 71 Q 8.42 4.06 0.00 2.50 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 72 A 8.07 4.08 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 73 V 7.87 3.83 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 1.01 0.00 0.00 1.13 0.00 0.00 74 V 7.95 3.68 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.94 0.00 0.00 75 I 7.87 3.88 2.28 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.30 1.24 0.00 0.00 76 F 8.61 4.53 0.00 3.52 3.41 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 77 N 9.09 4.61 0.00 2.97 2.98 0.00 0.00 6.71 7.73 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 78 K 8.07 3.94 0.00 2.01 1.99 0.00 1.58 0.00 0.00 1.60 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.45 7.81 79 V 7.68 3.25 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 0.24 0.00 0.00 0.66 0.00 0.00 80 N 8.35 4.14 0.00 3.18 3.20 0.00 0.00 7.23 8.22 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 81 E 8.06 3.92 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 2.36 2.60 0.00 82 I 7.55 3.69 1.68 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 1.36 0.88 0.64 0.00 0.00 83 I 7.21 3.37 1.31 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 0.86 -0.25 0.42 0.00 0.00 84 N 7.89 4.51 0.00 2.86 2.81 0.00 0.00 6.81 7.16 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 85 S 7.88 4.70 0.00 3.88 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 86 M 8.13 3.96 0.00 1.87 2.03 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.32 0.00 87 D 7.86 4.49 0.00 2.61 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 88 N 7.79 4.80 0.00 2.66 2.61 0.00 0.00 7.04 6.82 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 89 Q 8.31 3.96 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 90 E 8.10 3.91 0.00 2.02 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 2.37 2.40 0.00 91 E 8.04 3.87 0.00 2.16 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 2.34 2.31 0.00 92 I 7.50 3.60 1.94 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.50 0.79 0.00 0.00 93 I 7.81 3.61 1.97 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 1.69 0.80 0.88 0.00 0.00 94 K 8.09 3.77 0.00 1.79 2.02 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.45 7.81 95 S 8.14 4.04 0.00 3.89 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 96 L 8.03 4.05 0.00 1.76 1.60 0.77 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.27 3.99 0.00 1.89 1.83 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.41 7.81 98 D 7.90 4.28 0.00 2.94 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 99 L 7.84 4.05 0.00 1.99 1.81 1.15 0.71 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 0.00 100 S 8.14 4.24 0.00 4.20 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 0.00 101 Q 7.98 3.86 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 102 K 7.89 3.65 0.00 1.77 1.33 0.00 1.67 0.00 0.00 1.52 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.95 1.29 7.81 103 H 8.42 4.45 0.00 3.86 3.90 0.00 5.86 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.02 3.70 0.00 0.79 1.58 0.00 0.98 0.00 0.00 1.39 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.12 0.74 7.81 105 T 7.65 4.01 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 1.09 0.00 0.00 106 V 7.22 3.81 1.54 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 0.76 0.00 0.00 0.74 0.00 0.00 107 F 7.89 4.68 0.00 3.20 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 0.00 108 K 7.87 4.22 0.00 1.92 1.90 0.00 1.81 0.00 0.00 0.68 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.50 7.81 109 V 8.25 4.17 2.36 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 0.64 0.00 0.00 1.02 0.00 0.00 110 D 8.62 4.57 0.00 2.78 2.45 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 0.00 111 S 8.19 3.18 0.00 3.54 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.34 3.46 1.59 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.25 -0.03 0.00 0.00 113 W 7.51 4.50 0.00 3.13 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 0.00 114 F 7.11 4.44 0.00 3.12 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 0.00 115 K 8.16 4.05 0.00 1.86 1.82 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.34 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.57 7.81 116 E 8.13 4.07 0.00 2.44 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 2.46 2.01 0.00 117 L 7.95 3.67 0.00 0.66 1.47 0.77 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.26 3.81 0.00 4.12 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 0.00 119 S 8.14 4.11 0.00 4.18 4.01 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 0.00 0.00 0.00 120 I 7.63 3.93 2.21 0.00 0.00 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 1.56 1.63 1.08 0.00 0.00 121 F 8.24 3.96 0.00 3.08 2.46 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 0.00 122 V 7.87 3.57 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 1.14 0.00 0.00 0.79 0.00 0.00 123 S 8.34 4.14 0.00 4.12 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 7.96 3.97 4.39 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 1.30 0.00 0.00 125 I 7.31 4.13 1.69 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 1.81 0.40 0.83 0.00 0.00 126 D 7.84 4.34 0.00 2.84 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 0.00 127 G 8.13 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 0.00 128 G 8.41 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 0.00 0.00 0.00 0.00 129 A 8.81 4.24 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 0.00 130 E 8.25 3.88 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 131 F 8.32 4.10 0.00 3.40 3.30 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 0.00 0.00 0.00 0.00 132 E 8.32 4.17 0.00 2.30 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 2.42 2.62 0.00 133 K 8.30 3.92 0.00 1.81 1.92 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.41 7.81 134 L 7.68 3.71 0.00 1.48 1.62 0.53 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 135 F 8.62 3.95 0.00 3.30 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 0.00 136 S 7.90 4.39 0.00 4.10 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 0.00 137 I 7.60 3.62 1.91 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.66 0.79 0.00 0.00 138 I 7.51 3.51 1.78 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.38 0.72 0.00 0.00 139 C 8.38 4.07 0.00 3.04 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 0.00 140 I 7.70 4.12 1.88 0.00 0.00 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 1.53 1.65 0.93 0.00 0.00 141 L 7.82 4.10 0.00 1.80 1.63 0.83 0.63 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 0.00 142 L 7.74 3.87 0.00 1.15 0.20 0.35 0.46 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 0.00 143 R 7.76 4.45 0.00 2.14 1.98 0.00 3.12 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 144 S 7.61 4.19 0.00 3.98 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 0.00 145 A 8.38 4.13 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 0.00 146 Y 8.08 4.21 0.00 3.14 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