NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 M 4.4089 8.1627 120.3490 55.7745 34.7463 177.3383 14 M 3.8117 8.0974 118.0562 58.2554 32.3213 176.5694 15 A 4.0553 8.1215 120.6423 54.7801 19.1232 178.9690 16 K 3.9229 7.9677 117.9164 59.7236 32.4207 179.0135 17 L 4.2290 8.0406 119.3573 57.8183 41.2907 179.2077 18 D 4.3863 7.9179 118.0889 57.2733 41.2066 178.1082 19 E 4.0720 8.3653 119.8444 59.3521 29.4956 178.8409 20 L 4.2206 7.7621 117.2146 57.1848 41.9930 179.2006 21 K 3.6231 8.0770 119.2425 58.9765 31.6692 179.0976 22 Q 4.0282 7.4628 116.0736 58.4795 28.3630 177.4149 23 K 4.3583 7.6443 117.2801 55.8790 32.6642 175.7886 24 L 4.8369 7.3631 119.0228 52.4820 44.8332 177.0351 25 T 4.1856 8.4342 112.1894 60.9582 71.1052 175.7639 26 A 3.9751 8.3968 123.0030 55.2709 18.2448 179.8866 27 K 4.0360 8.0014 117.6081 59.8095 32.4195 178.9666 28 Q 3.6687 7.8254 118.0407 58.7024 28.4983 178.8337 29 I 3.7862 7.8488 120.8836 64.4022 37.1112 177.9770 30 Q 4.1414 8.3449 120.2098 59.4196 28.8557 178.3880 31 A 4.2188 8.6563 121.5951 55.3176 18.4956 179.4193 32 A 3.7768 8.4366 119.1237 55.5872 18.3834 179.4914 33 Y 3.8069 8.2010 115.2249 60.9563 37.9216 178.5888 34 L 4.0207 8.4479 121.5618 58.1619 42.3637 178.9872 35 L 3.9853 8.0607 118.8839 57.8441 41.4990 179.7884 36 V 3.3552 7.4752 118.0057 65.8956 31.4318 177.7453 37 E 3.9130 8.1539 118.7133 59.5964 29.0870 178.9014 38 N 4.3249 8.1273 115.9481 56.3026 38.9878 175.9397 39 E 4.4034 7.4432 117.6684 56.9766 30.3595 176.8146 40 L 4.7767 7.9858 115.4980 54.3012 42.8635 175.8356 41 M 4.8245 7.8366 118.4178 52.8970 34.6502 175.3063 42 E 3.8172 8.8362 122.2081 57.0834 29.8638 176.3372 *46 E 4.4126 8.7272 124.7109 55.5744 31.4375 175.5707 47 E 4.7598 7.7333 115.0918 53.8503 33.5351 175.1781 48 K 4.2517 8.4144 120.8104 56.4836 33.4520 176.9478 49 R 4.2607 8.8034 119.8823 56.2697 30.6675 177.7787 50 T 4.3254 8.7358 112.5591 61.0678 71.1732 175.9919 51 Q 4.0405 8.5368 119.9402 59.3367 28.5763 179.0395 52 D 4.3394 8.0080 119.3375 57.3172 40.9436 178.4145 53 E 3.9687 8.1082 118.8879 59.7242 29.4598 179.4308 54 M 4.0698 8.1714 118.4649 58.1955 32.0028 178.4492 55 A 3.9698 8.2915 121.3100 55.3610 18.5341 179.4117 56 N 4.2449 8.4127 114.9770 56.6062 38.4396 177.2270 57 E 3.9927 8.0485 118.5355 59.7442 29.7160 179.2813 58 L 4.3155 8.0634 116.8685 55.1472 41.8551 177.5152 59 G 3.8660 8.0104 106.8697 46.4040 0.0000 173.2043 60 I 4.5171 7.5368 111.3610 57.7771 40.7834 175.1746 61 N 4.4815 8.1387 118.7276 53.3008 40.8596 175.9808 62 R 3.9171 8.4824 124.8862 59.6557 30.1488 179.4903 63 T 3.9128 8.4258 109.7656 64.8464 68.6872 176.9696 64 T 3.4895 7.4653 118.0973 66.2235 68.5281 176.1384 65 L 3.5119 7.3075 121.8051 57.7013 42.0625 178.8163 66 W 4.0633 8.1334 128.2790 60.4617 30.6309 177.7739 67 E 3.9739 8.5138 118.6111 59.1722 29.0013 179.3652 68 W 4.1186 8.0131 118.8652 60.0067 28.8632 178.9351 69 R 4.2590 7.8500 116.1487 58.8892 29.4509 178.4228 70 T 4.0156 7.2877 114.1404 64.2788 69.3579 175.6818 71 K 4.2665 8.1469 117.7806 56.2298 34.6260 176.2688 72 N 4.6370 7.6635 116.1535 52.5199 38.7897 175.2548 73 Q 4.0885 8.5010 128.4623 58.8332 28.9476 178.3026 74 D 4.3437 8.1367 119.7817 57.0693 40.8435 178.2575 75 F 4.0832 8.7944 121.3879 61.3761 39.4626 177.0320 76 I 3.6319 7.9808 119.1270 64.5219 36.9498 178.2830 77 A 3.9507 8.1656 121.4636 54.9597 18.0928 179.4754 78 F 4.0102 8.2214 119.0899 61.4153 39.4773 177.1728 79 K 3.2405 7.9284 119.5203 59.5499 31.7411 178.8360 80 S 3.9762 7.9476 115.3671 61.3110 62.6706 176.2605 81 E 3.7801 7.6698 121.7401 59.0167 29.2877 178.9368 82 V 3.2432 7.3315 118.3338 65.7289 31.4048 177.6263 83 A 3.8186 7.9034 120.7695 55.4535 18.1198 179.2302 84 D 4.2726 8.1003 117.2219 57.5447 40.9023 179.1584 85 S 4.0450 8.0661 113.4586 61.4733 62.2407 176.1512 86 F 3.9107 8.4058 119.2748 60.4886 39.0356 177.1409 87 L 4.0971 8.2943 119.7785 58.0577 41.5245 178.7832 88 A 3.9583 8.2118 120.9415 55.1398 18.1246 178.9971 89 E 3.9642 7.8714 115.9033 58.2094 29.9666 178.1041 90 K 4.2263 7.7274 116.8423 56.9744 31.9535 178.2330 91 R 3.5417 7.4495 121.3771 59.5792 29.9321 178.2982 92 E 3.9165 7.9159 116.3827 59.2486 29.5201 178.9320 93 Q 4.0008 7.9091 118.9141 58.7234 28.8510 178.5230 94 V 3.6192 7.6946 119.2825 66.3253 31.6119 177.6232 95 Y 4.4636 8.2040 116.7766 61.2396 37.6637 178.7688 96 S 4.1670 8.3477 114.0306 61.3817 62.5675 176.4172 97 K 4.0100 7.9015 121.3408 59.2193 31.8756 178.8083 98 L 4.0022 8.1204 120.6906 58.8567 41.9187 179.1861 99 M 4.1307 8.3190 118.3030 58.3660 31.8669 178.7637 100 Q 4.0044 8.2640 118.3337 59.0353 28.8053 178.9228 101 L 4.0620 8.1023 119.9556 57.6481 41.3681 179.7381 102 I 3.6864 7.5618 118.9248 64.0684 37.2563 177.7650 103 L 4.5019 7.9053 116.9763 55.1860 42.2887 177.1653 104 G 3.9145 7.8635 108.1612 44.1160 0.0000 171.6202 105 P 4.4673 0.0000 0.0000 63.9210 32.1006 176.3086 106 Q 4.6447 7.5275 116.9491 53.6447 28.9019 173.6261 107 P 4.4248 0.0000 0.0000 63.0156 32.4040 176.4980 108 S 4.5425 8.8350 118.2087 56.7232 62.8415 174.8498 109 V 3.6564 8.3479 128.2497 65.6866 31.3359 177.5825 110 K 3.8856 8.1111 119.0003 59.4792 31.9921 178.4315 111 A 4.0605 8.2547 121.0696 55.3840 18.2958 179.4539 112 M 4.0243 8.0879 117.2875 58.5799 31.9723 178.6903 113 Q 4.0192 8.4401 119.9368 59.2308 29.2031 178.4118 114 L 3.9772 8.0566 119.9405 57.8418 41.6491 178.6893 115 Y 3.8966 8.2495 119.5742 61.2153 38.6513 178.3821 116 M 4.2962 8.4187 119.4202 58.5238 32.0862 178.8278 117 Q 3.9438 8.5588 118.7567 58.7623 28.5881 178.5282 118 R 3.5371 7.5760 119.5761 58.7716 30.0014 177.0090 119 F 4.6432 7.2827 112.8843 56.3225 39.1079 175.6413 120 G 3.9855 7.7022 108.1384 46.7542 0.0000 175.1068 121 L 4.3028 8.2727 119.1123 55.0747 42.4211 177.2331 122 L 4.6957 7.7250 118.9285 53.0805 43.2580 175.7135 123 T 4.6374 8.4089 119.5390 61.6798 71.2187 172.9729 124 D 4.9487 8.6125 125.1385 52.4233 43.0517 175.8796 125 K 4.5750 8.4488 123.1245 54.9051 33.8256 176.1306 126 K 4.5102 8.3211 120.5122 54.5433 35.5331 176.1396 127 V 4.2041 8.3247 122.6073 61.1311 32.2438 174.6949 128 I 4.2371 8.1128 128.4730 60.2930 38.1540 175.1455 129 E 4.7192 8.6974 124.0050 54.8472 33.6166 174.0351 130 G 4.0247 8.5280 106.0412 44.1516 0.0000 173.0378 131 D 4.5252 8.6039 121.5756 53.8891 44.4106 175.5396 132 L 3.9866 8.7055 125.3384 56.3452 41.8861 174.1187 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 13 M 8.16 4.41 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 14 M 8.10 3.81 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.74 0.00 15 A 8.12 4.06 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 16 K 7.97 3.92 0.00 1.84 1.82 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.53 7.81 17 L 8.04 4.23 0.00 1.92 1.93 0.98 1.01 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 18 D 7.92 4.39 0.00 2.92 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 19 E 8.37 4.07 0.00 2.20 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 2.30 2.35 0.00 20 L 7.76 4.22 0.00 1.96 1.88 1.01 0.88 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 21 K 8.08 3.62 0.00 2.01 1.72 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.07 1.45 7.81 22 Q 7.46 4.03 0.00 2.24 2.21 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 2.62 2.37 0.00 23 K 7.64 4.36 0.00 1.69 1.82 0.00 1.85 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.40 7.81 24 L 7.36 4.84 0.00 1.32 1.31 0.60 0.87 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 25 T 8.43 4.19 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 1.14 0.00 0.00 26 A 8.40 3.98 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 27 K 8.00 4.04 0.00 2.00 1.97 0.00 1.88 0.00 0.00 1.99 0.00 0.00 3.14 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.79 2.09 7.81 28 Q 7.83 3.67 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 29 I 7.85 3.79 2.03 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.63 1.20 0.00 0.00 30 Q 8.34 4.14 0.00 2.33 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 31 A 8.66 4.22 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.44 3.78 1.20 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 0.00 0.00 33 Y 8.20 3.81 0.00 3.35 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 34 L 8.45 4.02 0.00 1.99 1.92 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.06 3.99 0.00 1.88 1.70 1.21 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.48 3.36 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 0.23 0.00 0.00 0.56 0.00 0.00 37 E 8.15 3.91 0.00 2.31 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 2.59 2.56 0.00 38 N 8.13 4.32 0.00 2.86 2.98 0.00 0.00 7.22 7.26 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 39 E 7.44 4.40 0.00 2.13 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 2.25 2.43 0.00 40 L 7.99 4.78 0.00 1.69 1.83 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 41 M 7.84 4.82 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 3.12 0.00 42 E 8.84 3.82 0.00 1.96 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 2.33 2.40 0.00 *46 E 8.73 4.41 0.00 1.96 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 0.00 2.20 2.35 0.00 47 E 7.73 4.76 0.00 1.93 1.77 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 2.21 2.22 0.00 48 K 8.41 4.25 0.00 2.06 1.83 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.47 7.81 49 R 8.80 4.26 0.00 1.88 1.92 0.00 3.18 0.00 0.00 3.48 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 50 T 8.74 4.33 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 51 Q 8.54 4.04 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.95 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 52 D 8.01 4.34 0.00 2.76 2.70 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 53 E 8.11 3.97 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 54 M 8.17 4.07 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.59 0.00 55 A 8.29 3.97 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 56 N 8.41 4.24 0.00 3.04 2.88 0.00 0.00 7.06 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 57 E 8.05 3.99 0.00 2.16 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 2.38 2.56 0.00 58 L 8.06 4.32 0.00 1.81 1.82 1.08 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.01 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 60 I 7.54 4.52 1.57 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.59 0.93 0.00 0.00 61 N 8.14 4.48 0.00 2.70 2.60 0.00 0.00 6.89 7.65 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 62 R 8.48 3.92 0.00 1.87 1.94 0.00 3.18 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.72 0.00 63 T 8.43 3.91 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 1.12 0.00 0.00 64 T 7.47 3.49 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 0.15 0.00 0.00 65 L 7.31 3.51 0.00 1.59 1.72 1.00 0.88 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 66 W 8.13 4.06 0.00 3.47 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 67 E 8.51 3.97 0.00 2.20 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 2.76 2.61 0.00 68 W 8.01 4.12 0.00 2.86 1.74 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 69 R 7.85 4.26 0.00 1.81 1.98 0.00 3.25 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 70 T 7.29 4.02 3.17 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 0.57 0.00 0.00 71 K 8.15 4.27 0.00 1.76 1.81 0.00 1.99 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.27 1.13 7.81 72 N 7.66 4.64 0.00 2.83 2.92 0.00 0.00 7.05 6.85 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 73 Q 8.50 4.09 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 74 D 8.14 4.34 0.00 2.84 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 75 F 8.79 4.08 0.00 2.96 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 76 I 7.98 3.63 2.02 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 1.56 0.95 0.89 0.00 0.00 77 A 8.17 3.95 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 78 F 8.22 4.01 0.00 3.06 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 79 K 7.93 3.24 0.00 1.19 1.56 0.00 1.58 0.00 0.00 1.35 0.00 0.00 3.06 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.17 1.12 7.81 80 S 7.95 3.98 0.00 3.95 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 7.67 3.78 0.00 2.08 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 2.26 2.28 0.00 82 V 7.33 3.24 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 -0.47 0.00 0.00 83 A 7.90 3.82 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 84 D 8.10 4.27 0.00 2.82 2.70 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 85 S 8.07 4.05 0.00 3.90 4.10 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 86 F 8.41 3.91 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 87 L 8.29 4.10 0.00 1.84 1.80 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.21 3.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 7.87 3.96 0.00 1.98 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 2.22 2.35 0.00 90 K 7.73 4.23 0.00 1.86 1.77 0.00 1.75 0.00 0.00 1.56 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.74 1.58 7.81 91 R 7.45 3.54 0.00 1.80 1.66 0.00 2.87 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.02 0.00 92 E 7.92 3.92 0.00 2.24 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 2.34 2.34 0.00 93 Q 7.91 4.00 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 94 V 7.69 3.62 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.89 0.00 0.00 95 Y 8.20 4.46 0.00 3.15 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 96 S 8.35 4.17 0.00 4.07 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 97 K 7.90 4.01 0.00 1.94 1.88 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.72 1.62 7.81 98 L 8.12 4.00 0.00 1.98 2.00 1.06 0.94 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 99 M 8.32 4.13 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.91 0.00 100 Q 8.26 4.00 0.00 2.29 2.17 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 2.40 2.58 0.00 101 L 8.10 4.06 0.00 1.89 1.73 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.56 3.69 1.95 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 1.50 0.63 0.80 0.00 0.00 103 L 7.91 4.50 0.00 1.59 1.69 0.89 0.82 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 0.00 104 G 7.86 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 0.00 105 P 0.00 4.47 0.00 2.19 2.17 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 1.98 0.00 106 Q 7.53 4.64 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 107 P 0.00 4.42 0.00 2.16 2.20 0.00 3.75 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 1.98 1.95 0.00 108 S 8.83 4.54 0.00 3.87 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.35 3.66 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 1.08 0.00 0.00 0.93 0.00 0.00 110 K 8.11 3.89 0.00 1.91 1.80 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.59 7.81 111 A 8.25 4.06 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 0.00 112 M 8.09 4.02 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.50 0.00 113 Q 8.44 4.02 0.00 2.12 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 114 L 8.06 3.98 0.00 1.95 1.71 0.95 0.53 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 0.00 115 Y 8.25 3.90 0.00 3.12 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 0.00 116 M 8.42 4.30 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.76 0.00 117 Q 8.56 3.94 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 118 R 7.58 3.54 0.00 1.40 1.34 0.00 2.96 0.00 0.00 3.02 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.50 0.00 119 F 7.28 4.64 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 0.00 120 G 7.70 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 0.00 121 L 8.27 4.30 0.00 1.80 1.79 1.06 1.24 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 0.00 122 L 7.72 4.70 0.00 1.63 1.60 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.41 4.64 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 0.00 124 D 8.61 4.95 0.00 2.63 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 0.00 125 K 8.45 4.57 0.00 1.74 1.72 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.44 7.81 126 K 8.32 4.51 0.00 1.66 1.65 0.00 1.59 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.45 7.81 127 V 8.32 4.20 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 0.84 0.00 0.00 0.93 0.00 0.00 128 I 8.11 4.24 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 1.30 0.68 0.91 0.00 0.00 129 E 8.70 4.72 0.00 1.86 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 2.17 2.27 0.00 130 G 8.53 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 0.00 0.00 0.00 131 D 8.60 4.53 0.00 2.59 2.49 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 0.00 132 L 8.71 3.99 0.00 1.89 1.65 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.