NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 4.2230 8.1631 114.7919 61.0964 71.5024 173.3187 7 G 3.9124 7.3748 107.1228 45.4379 0.0000 170.7828 8 K 5.5724 10.0438 120.1834 54.5713 36.4087 174.1352 9 A 5.3819 9.5585 124.7046 50.3809 22.6377 175.1596 10 L 4.6594 8.0208 122.3387 51.9870 45.8652 174.6879 *12 V 4.0917 8.0553 117.4896 62.8178 32.5608 174.5131 13 L 5.0484 8.5048 127.2406 53.0901 44.5266 176.6704 14 G 4.0429 8.9648 111.8310 43.6505 0.0000 173.1390 15 C 4.0590 8.4679 114.2873 57.6415 29.7047 171.6807 16 P 4.5367 0.0000 0.0000 62.4964 31.1004 174.3870 17 E 4.4839 8.6613 120.6403 57.7984 32.2415 176.5820 18 S 4.2191 8.0165 115.0947 57.4882 63.3091 173.6464 19 P 4.3847 0.0000 0.0000 64.9294 31.3648 177.6722 20 V 3.6730 7.3424 111.3517 63.4400 31.7426 177.6881 21 Q 3.5253 7.6264 121.1487 58.8663 28.7684 177.9633 22 I 3.4851 7.4732 119.7625 64.0263 37.2886 176.4022 23 P 4.1861 0.0000 0.0000 65.8099 31.1348 178.7398 24 L 4.0267 7.8747 117.2438 57.4198 41.3863 179.4711 25 A 3.8934 7.8456 121.2782 55.1989 18.2932 179.7984 26 I 3.6769 7.7956 118.3777 64.4559 37.1177 178.0615 27 Y 3.8719 8.1158 120.5510 61.0337 38.6612 178.3349 28 T 3.9292 8.5061 117.0948 66.6832 68.5057 176.6968 29 S 4.1424 8.3730 115.2562 61.6004 62.3839 175.7182 30 H 4.2482 8.3191 121.0367 59.1098 29.3472 177.3856 31 K 3.7829 7.5332 119.4550 59.4317 32.1466 179.0108 32 L 4.1962 8.0635 119.2258 57.7831 41.5519 179.7563 33 K 4.5629 8.3655 119.8598 58.6512 31.7021 179.3327 34 K 4.0161 7.7516 119.4808 58.8052 32.1495 178.0287 35 K 4.3464 7.7319 116.5001 56.3649 32.3030 177.5413 36 G 3.9499 7.9399 108.8648 44.9093 0.0000 174.4902 37 F 4.5327 8.0315 118.2792 57.7044 40.5607 173.9497 38 R 4.7228 8.8549 122.3921 54.9800 31.9837 174.9103 39 V 4.9315 9.9830 127.6920 61.5804 33.7147 174.1445 40 T 5.1343 9.0595 125.0059 61.9215 70.8063 173.4471 41 V 4.3895 8.6679 126.8144 61.3937 33.2009 174.8280 42 T 5.2709 8.0876 120.5652 59.5246 70.8840 172.4389 43 A 4.4467 7.8693 127.9613 51.6300 23.0112 175.0131 44 N 4.5850 8.2941 114.7275 51.8584 38.6830 174.2446 45 P 4.1898 0.0000 0.0000 65.9190 31.3015 178.4849 46 A 3.9534 8.0412 118.3013 55.2039 18.3698 179.1406 47 A 3.8886 8.6323 119.4255 55.5480 18.4952 179.8571 48 L 3.9383 7.9984 117.2859 58.0867 41.6598 180.1004 49 R 3.9918 8.1903 118.0093 59.0302 29.9358 179.1309 50 L 3.9855 7.8687 119.1119 57.5928 41.7060 179.6215 51 V 3.5701 7.7019 118.1098 66.1840 30.9765 178.1374 52 Q 4.0380 8.1303 117.7499 59.0909 28.3108 179.1713 53 V 3.7604 7.6750 112.1682 63.8023 31.7458 178.0195 54 A 4.2730 8.0348 119.3916 53.3650 19.8762 177.0821 55 D 4.8278 7.9334 116.3038 51.6597 41.1997 174.0378 56 P 4.3739 0.0000 0.0000 64.6536 31.7125 177.7866 57 E 4.2699 8.1721 115.8562 55.4113 29.8648 175.7731 58 G 3.9447 7.9343 107.0902 46.7334 0.0000 175.6111 59 I 3.7563 8.0780 121.9743 63.1539 37.4632 176.8027 60 Y 4.8245 8.7849 115.7878 58.0767 38.3830 175.1624 61 T 4.8492 7.5527 108.6357 60.2656 72.1051 172.9588 62 D 4.7784 8.7178 121.3814 55.4910 42.8514 175.7209 63 E 4.4752 7.4491 117.3592 55.2205 33.2029 173.6815 *65 V 4.1584 8.2785 117.1263 62.6208 33.0996 175.3156 66 D 4.8682 8.5544 125.8277 54.4253 42.1901 176.6061 67 L 4.1316 8.3476 126.8783 57.6085 41.7357 180.1327 68 E 4.0501 8.2361 117.5047 59.4803 29.0902 179.4940 69 S 4.1685 8.6983 115.4970 61.6487 62.9197 176.2855 70 C 4.2363 8.4852 121.6393 62.7312 31.1726 175.6776 71 I 3.7557 7.9446 120.2019 64.2257 36.7169 177.3216 72 N 4.5637 8.0915 116.1687 54.7625 39.0146 174.7951 73 E 4.5578 7.5615 118.0269 56.0837 31.5331 175.7461 74 L 4.2792 7.9526 120.4351 55.2736 43.0612 175.6421 75 A 4.7620 8.7956 126.4058 50.0027 22.4638 175.2404 76 E 4.2886 8.1007 120.1253 57.4030 28.7132 177.6312 77 G 4.0623 9.0418 113.6773 45.5132 0.0000 174.6488 78 D 4.2428 7.6826 117.9281 56.2987 41.1207 176.0288 79 Y 4.9606 7.3055 115.3028 56.6688 41.9469 174.6609 80 E 4.6795 9.3443 122.2387 57.2204 30.8051 176.0962 81 F 5.2662 8.1133 121.3887 56.5986 43.5200 172.4843 82 L 4.8944 7.9945 126.4065 52.9909 45.0459 174.7615 83 A 4.7493 8.6145 128.0217 49.8606 21.7156 175.3684 84 G 4.0719 8.9998 109.5399 44.2989 0.0000 171.7478 85 F 4.7960 9.2731 125.0173 57.1481 40.1540 176.2130 86 V 4.3324 9.5993 123.7694 60.7770 32.1455 173.8196 87 P 3.9586 0.0000 0.0000 61.8562 32.1610 175.1801 88 N 4.4299 7.3030 114.2840 51.0723 39.7883 174.6495 89 D 4.3204 8.6591 117.0726 57.7260 40.7873 178.8601 90 A 3.9737 8.0220 120.2535 55.2447 18.4394 179.3899 91 A 4.1305 8.5778 119.0602 55.2607 18.4528 179.7423 92 A 3.9645 8.3106 119.2281 55.1893 18.4527 179.7242 93 A 3.9126 8.1851 119.3553 55.4427 18.3398 179.4507 94 Y 3.9451 7.9274 115.0500 61.1786 37.9269 178.5739 95 L 4.1402 8.1795 121.2906 58.1591 42.1648 179.1804 96 V 3.5804 7.9638 118.1294 66.2726 31.3545 178.1279 97 T 3.7837 7.9302 115.3021 66.8291 68.3467 176.7144 98 F 4.2505 8.4981 119.6934 60.5216 38.7828 177.6713 99 A 4.1927 8.5487 120.9023 54.9832 17.9407 179.9468 100 G 3.5495 8.0835 103.6381 47.7636 0.0000 175.8753 101 I 3.9812 7.5946 122.1736 64.3211 37.0781 178.4170 102 L 4.1786 8.0585 118.3946 55.2436 42.4082 176.6078 103 N 4.1118 8.4051 116.5499 55.0178 37.8008 171.4292 104 T 4.8094 7.2836 110.5102 60.1521 71.7629 172.4949 105 E 4.2182 8.9641 122.4762 57.0987 30.6519 176.2536 106 T 4.7845 8.6512 122.5664 61.5694 73.0693 172.5520 107 L 5.1250 8.7864 125.7661 53.2552 45.5949 174.6841 108 A 4.9576 8.8151 128.1636 50.2624 21.6393 175.3811 109 I 4.5364 8.6068 124.1605 59.6601 39.2696 174.2789 110 I 4.9802 8.9335 129.3213 59.7742 38.9507 175.1901 111 F 5.8712 7.9600 120.3875 55.8880 41.6306 172.7615 112 D 4.4114 8.3092 118.0124 54.2790 43.7218 177.0541 113 R 4.2545 8.9634 122.0402 58.3021 30.7863 176.9595 114 D 4.5875 8.8138 118.7361 53.0769 42.0416 176.5850 115 A 4.0349 8.6484 129.5259 55.3448 18.4220 178.9118 116 D 4.2660 8.5414 117.5310 57.5635 40.9340 179.0889 117 V 3.8515 7.8196 119.5260 65.4341 31.5665 177.8132 118 L 3.9595 7.9162 118.7471 57.6694 41.4434 178.9804 119 E 3.9029 8.2254 119.2402 59.4183 29.1916 178.7652 120 E 3.9537 8.1280 118.4166 59.5008 29.5519 179.4268 121 L 4.0393 7.9117 118.9917 57.6200 41.4166 179.7809 122 V 3.5567 8.0847 117.5787 66.1098 31.5998 177.5019 123 N 4.4546 8.3161 115.2654 56.1872 38.7257 176.5604 124 E 4.1336 8.3924 120.8831 59.3563 29.7129 180.1865 125 I 4.0343 7.5588 117.5462 61.8703 36.8391 177.7473 *127 E 4.5646 8.2090 121.3009 55.9353 31.3092 176.8258 128 T 4.3840 7.7252 106.7798 61.6199 70.3170 174.1871 129 L 4.8551 8.2367 120.1919 52.9415 45.4425 176.3071 130 D 4.8071 8.3817 119.5728 52.4692 40.0639 174.5879 131 A 4.9446 7.4753 121.8464 49.4285 23.0783 175.7130 132 E 4.2630 8.9523 121.5586 56.1329 31.1289 175.5639 133 I 4.9188 8.3417 126.1968 59.5088 40.3901 174.7765 134 I 4.5710 8.7744 127.1653 59.4377 39.7729 174.4905 135 A 5.7770 8.6836 127.4500 49.3196 22.4186 174.6951 136 A 4.4331 8.2342 119.2904 51.1875 22.7803 176.2490 137 R 5.2531 8.9941 120.1678 54.9239 29.3492 175.1852 138 A 4.6334 8.3078 123.4694 50.7392 22.1849 173.5356 139 H 4.7707 9.1685 118.9928 57.4816 32.0143 174.8755 140 H 4.6794 7.9371 111.9528 55.3577 30.2360 173.5431 141 N 4.6771 7.7748 118.9571 51.4686 39.2978 173.2887 142 P 4.2843 0.0000 0.0000 64.7741 31.5638 178.0219 143 A 3.8443 8.1706 121.7007 54.8920 18.2688 177.5598 144 P 4.1592 0.0000 0.0000 65.8381 31.3941 178.8923 145 L 3.9384 7.7483 117.0442 57.6763 41.5505 179.2546 146 R 3.7093 8.2050 119.0841 59.4182 29.9549 178.7326 147 V 3.5701 7.9387 118.0423 66.2098 31.6288 178.2893 148 R 4.0356 7.9656 117.5957 59.1598 29.5787 179.2075 149 I 3.8615 7.8674 119.5731 64.2988 37.2141 177.6404 150 D 4.6578 8.2441 119.0167 57.4978 40.7481 178.8827 151 R 4.1568 7.8859 117.2529 59.1622 30.3070 179.7954 152 F 4.1154 8.0157 117.6800 58.8569 39.2189 175.7335 *154 E 4.4052 7.9473 112.3703 54.9645 30.7782 175.5367 155 E 4.5642 7.6798 113.9749 57.1186 33.5150 175.4507 156 K 3.9744 6.7748 118.3366 57.0260 33.5180 174.6613 157 P 4.7544 0.0000 0.0000 62.3177 31.1338 176.4083 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 6 T 8.16 4.22 4.24 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 1.21 0.00 0.00 7 G 7.37 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 10.04 5.57 0.00 1.59 1.79 0.00 1.53 0.00 0.00 1.47 0.00 0.00 2.52 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.37 7.81 9 A 9.56 5.38 1.10 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 0.00 0.00 10 L 8.02 4.66 0.00 0.27 0.81 0.51 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 *12 V 8.06 4.09 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 0.99 0.00 0.00 0.26 0.00 0.00 13 L 8.50 5.05 0.00 1.49 1.46 0.79 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.96 4.04 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 0.00 15 C 8.47 4.06 0.00 3.10 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 16 P 0.00 4.54 0.00 2.19 2.11 0.00 3.71 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 1.98 2.05 0.00 17 E 8.66 4.48 0.00 1.96 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 2.22 2.31 0.00 18 S 8.02 4.22 0.00 4.17 4.04 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 19 P 0.00 4.38 0.00 2.14 2.15 0.00 3.51 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 20 V 7.34 3.67 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 0.70 0.00 0.00 0.59 0.00 0.00 21 Q 7.63 3.53 0.00 2.24 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 22 I 7.47 3.49 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.87 0.81 0.00 0.00 23 P 0.00 4.19 0.00 2.05 2.03 0.00 3.58 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 2.18 2.12 0.00 24 L 7.87 4.03 0.00 1.78 1.86 0.79 0.63 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 25 A 7.85 3.89 0.99 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 26 I 7.80 3.68 1.96 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 1.42 1.02 0.81 0.00 0.00 27 Y 8.12 3.87 0.00 3.02 3.12 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 0.00 0.00 0.00 28 T 8.51 3.93 4.56 0.00 0.00 0.00 0.00 0.00 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 29 S 8.37 4.14 0.00 3.94 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 H 8.32 4.25 0.00 3.11 3.22 0.00 5.65 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 31 K 7.53 3.78 0.00 1.91 1.79 0.00 1.56 0.00 0.00 1.23 0.00 0.00 3.16 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.15 1.44 7.81 32 L 8.06 4.20 0.00 1.87 1.66 0.98 0.17 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 33 K 8.37 4.56 0.00 1.98 1.91 0.00 1.80 0.00 0.00 1.89 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.68 1.53 7.81 34 K 7.75 4.02 0.00 1.87 1.88 0.00 1.62 0.00 0.00 1.50 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.48 7.81 35 K 7.73 4.35 0.00 2.22 1.91 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.60 7.81 36 G 7.94 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.03 4.53 0.00 3.21 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.85 4.72 0.00 1.99 1.90 0.00 3.08 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 39 V 9.98 4.93 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 0.95 0.00 0.00 1.08 0.00 0.00 40 T 9.06 5.13 4.31 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 1.24 0.00 0.00 41 V 8.67 4.39 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 0.67 0.00 0.00 0.93 0.00 0.00 42 T 8.09 5.27 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 0.73 0.00 0.00 43 A 7.87 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.29 4.58 0.00 2.87 2.92 0.00 0.00 5.94 7.76 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 45 P 0.00 4.19 0.00 2.17 2.16 0.00 3.61 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 2.12 2.18 0.00 46 A 8.04 3.95 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 47 A 8.63 3.89 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 48 L 8.00 3.94 0.00 1.85 1.72 0.86 0.89 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 49 R 8.19 3.99 0.00 1.99 1.97 0.00 3.12 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.94 0.00 50 L 7.87 3.99 0.00 1.85 1.68 0.90 0.80 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 51 V 7.70 3.57 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 1.03 0.00 0.00 0.95 0.00 0.00 52 Q 8.13 4.04 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 53 V 7.67 3.76 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 0.79 0.00 0.00 1.03 0.00 0.00 54 A 8.03 4.27 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 55 D 7.93 4.83 0.00 2.88 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.37 0.00 2.21 2.19 0.00 3.44 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 57 E 8.17 4.27 0.00 1.90 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 0.00 2.23 2.20 0.00 58 G 7.93 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 59 I 8.08 3.76 1.28 0.00 0.00 0.67 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 0.41 0.30 0.00 0.00 60 Y 8.78 4.82 0.00 3.07 2.91 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 0.00 0.00 0.00 0.00 61 T 7.55 4.85 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 1.27 0.00 0.00 62 D 8.72 4.78 0.00 2.87 2.77 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 63 E 7.45 4.48 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 *65 V 8.28 4.16 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 0.92 0.00 0.00 0.97 0.00 0.00 66 D 8.55 4.87 0.00 2.77 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 67 L 8.35 4.13 0.00 1.57 1.54 0.38 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.24 4.05 0.00 2.15 2.04 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 2.48 2.40 0.00 69 S 8.70 4.17 0.00 4.02 3.95 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 0.00 0.00 0.00 70 C 8.49 4.24 0.00 3.14 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.94 3.76 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.62 0.85 0.00 0.00 72 N 8.09 4.56 0.00 2.99 2.93 0.00 0.00 6.96 7.48 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 73 E 7.56 4.56 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 2.25 2.28 0.00 74 L 7.95 4.28 0.00 2.10 1.69 1.24 1.09 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 75 A 8.80 4.76 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 76 E 8.10 4.29 0.00 2.13 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 2.33 2.33 0.00 77 G 9.04 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 D 7.68 4.24 0.00 2.85 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 0.00 0.00 0.00 0.00 79 Y 7.31 4.96 0.00 3.04 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 80 E 9.34 4.68 0.00 2.18 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 2.38 2.39 0.00 81 F 8.11 5.27 0.00 2.93 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 82 L 7.99 4.89 0.00 1.55 1.18 0.66 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.61 4.75 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 9.00 4.07 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 0.00 0.00 0.00 85 F 9.27 4.80 0.00 3.00 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 86 V 9.60 4.33 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 1.02 0.00 0.00 0.98 0.00 0.00 87 P 0.00 3.96 0.00 1.87 1.47 0.00 3.78 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.88 0.00 88 N 7.30 4.43 0.00 2.84 2.83 0.00 0.00 6.25 8.07 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 89 D 8.66 4.32 0.00 2.69 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 90 A 8.02 3.97 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 91 A 8.58 4.13 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 92 A 8.31 3.96 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 93 A 8.19 3.91 1.24 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 0.00 0.00 94 Y 7.93 3.95 0.00 3.39 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 95 L 8.18 4.14 0.00 1.85 1.89 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.96 3.58 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 0.96 0.00 0.00 0.95 0.00 0.00 97 T 7.93 3.78 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 0.98 0.00 0.00 98 F 8.50 4.25 0.00 3.07 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 99 A 8.55 4.19 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 0.00 100 G 8.08 3.55 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 0.00 0.00 0.00 101 I 7.59 3.98 2.10 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 1.53 1.24 1.00 0.00 0.00 102 L 8.06 4.18 0.00 1.79 1.82 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.41 4.11 0.00 2.77 2.84 0.00 0.00 6.90 7.76 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 0.00 104 T 7.28 4.81 4.45 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 1.26 0.00 0.00 105 E 8.96 4.22 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.58 0.00 106 T 8.65 4.78 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 1.09 0.00 0.00 107 L 8.79 5.13 0.00 1.57 1.13 0.45 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.82 4.96 1.16 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 0.00 0.00 109 I 8.61 4.54 1.05 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 0.89 0.54 0.69 0.00 0.00 110 I 8.93 4.98 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 1.27 0.92 0.94 0.00 0.00 111 F 7.96 5.87 0.00 3.12 3.09 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 0.00 112 D 8.31 4.41 0.00 2.66 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 0.00 113 R 8.96 4.25 0.00 1.86 1.99 0.00 3.46 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 114 D 8.81 4.59 0.00 2.67 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 0.00 115 A 8.65 4.03 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 0.00 116 D 8.54 4.27 0.00 2.85 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 V 7.82 3.85 2.32 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 1.17 0.00 0.00 0.97 0.00 0.00 118 L 7.92 3.96 0.00 1.94 1.71 1.00 0.87 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 0.00 119 E 8.23 3.90 0.00 2.17 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 2.30 2.36 0.00 120 E 8.13 3.95 0.00 2.17 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 2.32 2.56 0.00 121 L 7.91 4.04 0.00 1.82 1.68 0.84 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.08 3.56 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 0.83 0.00 0.00 0.99 0.00 0.00 123 N 8.32 4.45 0.00 2.82 3.10 0.00 0.00 7.04 7.48 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 0.00 124 E 8.39 4.13 0.00 2.12 2.17 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 2.29 2.39 0.00 125 I 7.56 4.03 1.86 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 1.71 0.60 0.89 0.00 0.00 *127 E 8.21 4.56 0.00 2.03 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 2.21 2.30 0.00 128 T 7.73 4.38 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 1.31 0.00 0.00 129 L 8.24 4.86 0.00 1.71 1.58 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 130 D 8.38 4.81 0.00 2.62 2.58 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 0.00 131 A 7.48 4.94 1.15 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 0.00 0.00 132 E 8.95 4.26 0.00 2.32 1.94 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 2.74 2.50 0.00 133 I 8.34 4.92 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 1.32 0.96 0.89 0.00 0.00 134 I 8.77 4.57 1.71 0.00 0.00 0.64 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 0.54 0.86 0.00 0.00 135 A 8.68 5.78 1.18 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 0.00 0.00 136 A 8.23 4.43 1.22 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 0.00 0.00 0.00 137 R 8.99 5.25 0.00 1.73 1.94 0.00 3.23 0.00 0.00 3.90 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.50 0.00 138 A 8.31 4.63 1.19 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 0.00 0.00 139 H 9.17 4.77 0.00 3.19 3.29 0.00 5.63 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 H 7.94 4.68 0.00 3.29 3.39 0.00 5.57 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 0.00 141 N 7.77 4.68 0.00 2.63 2.69 0.00 0.00 7.02 7.69 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 0.00 142 P 0.00 4.28 0.00 2.13 2.16 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 143 A 8.17 3.84 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 0.00 144 P 0.00 4.16 0.00 2.15 2.11 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 145 L 7.75 3.94 0.00 1.73 1.64 0.70 0.81 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 0.00 146 R 8.20 3.71 0.00 1.58 1.89 0.00 3.08 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.06 0.00 147 V 7.94 3.57 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 0.98 0.00 0.00 0.97 0.00 0.00 148 R 7.97 4.04 0.00 2.04 1.98 0.00 3.18 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 149 I 7.87 3.86 2.13 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 1.48 0.55 1.09 0.00 0.00 150 D 8.24 4.66 0.00 2.90 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 0.00 151 R 7.89 4.16 0.00 2.02 2.04 0.00 3.21 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.97 0.00 152 F 8.02 4.12 0.00 3.20 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 *154 E 7.95 4.41 0.00 2.12 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 2.43 2.28 0.00 155 E 7.68 4.56 0.00 1.94 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 0.00 2.26 2.10 0.00 156 K 6.77 3.97 0.00 0.79 1.28 0.00 1.56 0.00 0.00 1.48 0.00 0.00 2.72 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.88 0.21 7.81 157 P 0.00 4.75 0.00 1.85 1.06 0.00 3.49 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.50 0.00 * Residues marked with a * may have inaccurate shift predictions.