NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4467 8.3349 115.3025 57.8310 64.6667 174.0449 3 K 4.3022 8.0002 119.6725 55.8421 33.5413 174.4498 4 K 5.1907 9.5344 122.4355 54.6271 36.0858 174.9413 5 V 4.8077 8.9093 124.6091 60.9492 34.4034 173.8554 6 L 4.8775 8.9440 130.8873 54.1372 43.6042 174.7566 7 L 4.9104 9.5624 130.0141 53.4753 44.1069 175.2123 8 V 4.7834 8.4004 128.0251 61.8132 32.7391 174.2692 9 D 4.6112 8.4983 125.2105 53.6169 44.7346 176.1327 10 D 4.7975 8.9719 123.6447 54.0413 40.2945 176.5097 11 S 4.4509 8.7568 116.4490 57.1178 63.1984 174.0848 12 A 3.9757 8.5616 132.1264 55.0486 18.0450 179.2063 13 V 3.4927 7.6964 116.4044 66.0159 31.6657 177.7195 14 L 3.9588 7.8616 119.9620 58.4499 41.8921 179.1503 15 R 3.9289 8.1817 118.0114 59.0706 29.9589 178.9823 16 K 3.9800 8.1825 119.4137 59.5265 32.1864 179.0272 17 I 3.7317 7.5717 120.0064 64.4801 37.0205 178.6726 18 V 3.7133 8.0864 119.2336 65.9407 31.3609 177.8961 19 S 4.1505 8.5556 113.3692 61.3500 62.2711 175.6209 20 F 4.0897 8.3587 123.2600 61.6658 38.8881 176.6142 21 N 4.4166 8.4456 114.4535 56.6078 38.8145 177.1438 22 L 4.3595 8.3978 120.2540 57.9220 41.7555 179.7874 23 K 4.2966 8.5788 120.0979 58.7878 31.7277 179.5627 24 K 3.9262 7.7626 117.8447 58.7048 31.9434 178.1268 25 E 4.1322 7.5021 116.2964 55.9393 29.6618 177.1386 26 G 3.7515 7.9370 108.0953 45.2654 0.0000 173.2244 27 Y 4.8674 6.9678 116.8980 57.2419 39.9133 174.4531 28 E 4.4894 8.9699 121.7475 55.7114 31.4537 175.5748 29 V 4.9449 8.3598 122.3565 61.1702 34.4476 174.5177 30 I 4.6184 9.0214 128.1873 59.6315 40.0296 174.4015 31 E 5.2392 8.9212 125.7278 54.8607 32.1145 175.3572 32 A 4.6509 8.6879 123.4860 50.6700 22.2877 176.9339 33 E 4.1938 9.3479 122.3210 57.1988 30.5052 175.2122 34 N 5.2027 7.6128 115.1442 50.7479 41.4160 175.1935 35 G 3.5646 8.4651 106.7793 47.7957 0.0000 175.6378 36 Q 3.9579 8.1019 121.3333 59.1834 29.1925 178.3216 37 I 3.8161 8.2329 120.5658 64.2512 37.1048 178.1288 38 A 3.9131 7.9057 121.5090 55.4088 18.0142 179.8208 39 L 3.5114 7.6900 115.7935 57.5419 41.7419 179.3018 40 E 4.1793 8.2748 118.7743 59.5130 29.3839 179.6085 41 K 4.1331 8.1537 118.4143 59.3798 31.9458 179.3820 42 L 4.0046 7.9412 119.5495 56.3451 41.4374 178.8951 43 S 4.6488 7.9031 113.1521 59.8726 63.4156 174.4204 44 E 4.6287 8.0753 121.1157 56.5488 31.2025 175.2818 45 F 4.6585 7.4472 111.7377 56.6828 39.9132 172.8130 46 T 4.1902 8.5135 118.3964 60.9543 69.0572 173.0544 47 P 4.7390 0.0000 0.0000 62.4314 32.2600 176.1348 48 D 4.5920 8.5325 118.4276 56.2886 41.3910 176.6336 49 L 4.5871 7.5045 118.6467 53.9234 45.7033 173.4158 50 I 4.9016 8.5356 125.6544 59.4683 40.4160 174.4704 51 V 4.6968 8.7224 127.0838 61.3229 33.5897 174.3311 52 L 4.7505 8.7951 129.5521 53.8180 45.9658 176.4004 *54 I 3.5935 8.3807 118.2766 61.4225 38.6709 176.1560 55 M 4.5770 7.6503 124.9183 55.0688 31.2540 175.7946 56 M 4.8086 8.0337 122.7047 52.5603 36.2664 173.7748 57 P 4.3438 0.0000 0.0000 63.8947 32.3682 175.9277 58 V 3.7919 9.5048 122.9441 63.0074 31.0782 171.6930 59 M 4.6020 7.3624 118.0757 53.2319 35.0484 173.9887 60 D 5.2012 8.6071 126.6188 52.2972 42.5657 177.4960 61 G 3.4554 8.5633 106.4545 47.6139 0.0000 176.0774 62 F 4.4578 7.6883 119.5619 60.9143 39.0642 177.6202 63 T 3.9417 8.5044 115.3832 66.5547 68.2326 176.7221 64 V 3.5644 7.8288 120.0716 66.0917 31.5277 177.9494 65 L 3.9881 8.2385 118.9240 57.7435 41.2590 179.3952 66 K 3.9495 7.9428 118.2325 59.6868 32.1850 178.7166 67 K 4.4466 8.2987 118.6289 59.2817 31.4061 179.4314 68 L 4.3470 8.2255 119.5377 58.1101 41.3630 179.5343 69 Q 4.1323 8.0120 116.7236 58.9508 28.6688 178.4265 70 E 4.2114 7.8603 118.3499 56.7244 30.0866 176.8295 71 K 4.4030 7.2798 118.3186 54.0294 34.0938 176.4876 72 E 3.9122 8.9250 124.7353 59.5629 29.5149 178.5740 73 E 4.1195 7.8808 115.2459 58.0683 30.2640 177.7828 74 W 4.8834 7.9267 119.5954 57.6709 30.2380 178.1696 75 K 4.2127 8.2292 117.5474 59.3668 32.1129 177.7282 76 R 4.2864 7.7991 116.5412 56.2959 30.7236 176.3270 77 I 3.8407 7.5287 120.7590 60.1994 37.4779 174.0946 78 P 4.4292 0.0000 0.0000 62.7980 32.6765 175.2869 79 V 4.8040 8.3217 121.9569 61.2202 34.7162 173.7797 80 I 4.6809 8.6351 129.2909 59.8836 39.0448 174.9495 81 V 4.3647 8.7248 128.5041 62.1757 32.8189 174.4261 82 L 5.1457 8.6966 130.1461 53.7283 44.1293 175.2848 83 T 4.7258 8.8568 120.2304 60.4278 70.6909 174.6831 84 A 4.0440 8.7657 129.6514 54.5735 18.7505 178.0497 85 K 4.0710 8.1200 116.1403 56.9018 31.8200 177.0682 86 G 4.0116 8.6797 112.2067 45.1629 0.0000 173.7188 87 G 3.9328 7.6622 106.9820 43.8582 0.0000 174.5837 88 E 4.0291 8.6829 120.9073 59.2801 29.4851 179.5217 89 E 3.9397 8.0943 118.8586 59.3527 29.7940 178.3921 90 D 4.5407 8.1172 118.5338 57.2390 40.8887 178.1792 91 E 3.9488 8.0738 119.4807 59.3503 29.6255 178.7837 92 S 4.0569 8.1420 113.0499 61.2506 62.5481 175.6906 93 L 3.8230 7.9834 122.6766 58.1865 41.7994 178.7914 94 A 4.1807 8.3219 120.6106 55.3345 18.3709 179.5664 95 L 4.0073 8.2236 117.8678 57.9828 41.4732 179.9603 96 S 4.2534 8.2846 113.3891 60.7542 63.0633 175.5156 97 L 4.5679 7.4192 120.3325 54.4063 41.7752 177.1591 98 G 4.0390 8.0489 106.6230 44.8149 0.0000 174.4341 99 A 4.0815 7.7339 123.0274 52.7930 18.8498 178.1300 100 R 4.2290 8.7918 121.8193 58.8774 30.8868 177.1065 101 K 4.6177 7.8534 117.7352 55.0360 35.9896 174.7211 102 V 4.7865 8.4315 125.3681 61.4635 33.5892 174.3713 103 M 4.8504 9.3643 127.8785 53.4772 35.0072 174.9975 104 R 4.8344 8.6072 123.5541 55.5708 31.4627 175.7905 105 K 4.6438 8.7683 126.2978 55.1046 33.0958 175.2380 106 P 4.3388 0.0000 0.0000 62.4335 32.1082 175.9480 107 F 4.7602 8.0538 116.7886 55.7089 39.5979 175.7259 108 S 4.3852 8.6136 116.7570 57.2061 63.0237 172.8432 109 P 4.7789 0.0000 0.0000 65.9995 31.1679 178.5915 110 S 4.2010 8.1923 112.2962 61.8028 62.9413 176.4967 111 Q 4.0517 8.1380 121.8393 58.2361 28.3705 178.5321 112 F 4.1918 8.8019 122.0151 61.5746 39.4432 177.2957 113 I 3.4785 8.2400 119.7715 64.0841 36.8401 177.9678 114 E 3.8952 8.2038 120.2690 59.3110 29.4133 178.6165 115 E 3.8810 8.0593 119.1734 59.1404 29.6468 178.4764 116 V 3.3090 7.4899 118.4744 66.2297 31.4656 178.1803 117 K 3.9339 8.2128 118.0246 59.5374 31.6550 178.6602 118 H 4.0929 8.0430 117.5239 59.5581 29.5499 176.9934 119 L 3.9578 7.9902 120.6149 57.6399 41.2416 179.4331 120 L 4.0627 7.9614 118.0092 56.7337 41.5826 178.1078 121 N 4.7868 7.5462 114.1674 52.8645 38.9004 174.8306 122 E 4.1104 7.6120 125.0628 56.6580 29.5329 176.6297 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 2 S 8.33 4.45 0.00 3.87 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 3 K 8.00 4.30 0.00 1.81 1.61 0.00 1.59 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.63 7.81 4 K 9.53 5.19 0.00 1.79 1.76 0.00 1.64 0.00 0.00 1.48 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.52 7.81 5 V 8.91 4.81 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.76 0.00 0.00 6 L 8.94 4.88 0.00 1.80 1.45 1.02 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 7 L 9.56 4.91 0.00 1.73 1.53 0.98 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.40 4.78 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 0.74 0.00 0.00 0.86 0.00 0.00 9 D 8.50 4.61 0.00 2.69 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 10 D 8.97 4.80 0.00 2.81 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.76 4.45 0.00 3.86 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 12 A 8.56 3.98 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 13 V 7.70 3.49 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 1.00 0.00 0.00 0.91 0.00 0.00 14 L 7.86 3.96 0.00 1.74 1.84 0.94 1.08 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 15 R 8.18 3.93 0.00 1.90 1.99 0.00 3.19 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 16 K 8.18 3.98 0.00 1.94 1.94 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.50 7.81 17 I 7.57 3.73 2.04 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.40 0.97 0.00 0.00 18 V 8.09 3.71 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.72 0.00 0.00 19 S 8.56 4.15 0.00 4.00 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 20 F 8.36 4.09 0.00 3.33 3.36 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 21 N 8.45 4.42 0.00 3.20 3.20 0.00 0.00 7.19 7.42 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 22 L 8.40 4.36 0.00 2.19 1.88 1.09 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.58 4.30 0.00 1.76 1.80 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.63 1.51 7.81 24 K 7.76 3.93 0.00 1.66 1.69 0.00 1.50 0.00 0.00 1.46 0.00 0.00 2.71 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.91 0.89 7.81 25 E 7.50 4.13 0.00 1.45 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 2.43 2.45 0.00 26 G 7.94 3.75 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 0.00 0.00 0.00 27 Y 6.97 4.87 0.00 2.95 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 28 E 8.97 4.49 0.00 1.97 1.86 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 2.30 2.28 0.00 29 V 8.36 4.94 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 0.88 0.00 0.00 1.02 0.00 0.00 30 I 9.02 4.62 2.07 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 1.01 0.70 1.03 0.00 0.00 31 E 8.92 5.24 0.00 1.85 1.86 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 2.25 2.32 0.00 32 A 8.69 4.65 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 33 E 9.35 4.19 0.00 2.01 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 2.35 2.25 0.00 34 N 7.61 5.20 0.00 3.13 2.86 0.00 0.00 6.16 6.94 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 35 G 8.47 3.56 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 0.00 0.00 0.00 0.00 36 Q 8.10 3.96 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 37 I 8.23 3.82 1.98 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 1.46 0.86 0.91 0.00 0.00 38 A 7.91 3.91 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 39 L 7.69 3.51 0.00 1.74 1.75 0.97 0.29 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 40 E 8.27 4.18 0.00 2.25 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 2.64 0.00 41 K 8.15 4.13 0.00 1.95 2.07 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.71 7.81 42 L 7.94 4.00 0.00 0.97 0.84 0.11 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 43 S 7.90 4.65 0.00 4.12 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 0.00 44 E 8.08 4.63 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 45 F 7.45 4.66 0.00 3.19 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 46 T 8.51 4.19 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 1.21 0.00 0.00 47 P 0.00 4.74 0.00 2.32 2.06 0.00 3.42 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.66 0.00 48 D 8.53 4.59 0.00 2.64 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 49 L 7.50 4.59 0.00 1.58 1.31 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.54 4.90 1.79 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 0.96 0.57 0.82 0.00 0.00 51 V 8.72 4.70 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 0.93 0.00 0.00 1.08 0.00 0.00 52 L 8.80 4.75 0.00 1.65 1.42 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 *54 I 8.38 3.59 1.64 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.39 0.18 0.00 0.00 55 M 7.65 4.58 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 56 M 8.03 4.81 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 57 P 0.00 4.34 0.00 2.17 2.05 0.00 3.81 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 58 V 9.50 3.79 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 0.74 0.00 0.00 0.93 0.00 0.00 59 M 7.36 4.60 0.00 2.10 1.84 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 60 D 8.61 5.20 0.00 3.07 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.56 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 7.69 4.46 0.00 3.31 3.01 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 63 T 8.50 3.94 4.42 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 1.25 0.00 0.00 64 V 7.83 3.56 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 0.92 0.00 0.00 0.94 0.00 0.00 65 L 8.24 3.99 0.00 1.96 1.93 1.06 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.94 3.95 0.00 1.92 2.10 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.52 7.81 67 K 8.30 4.45 0.00 2.05 2.06 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.66 7.81 68 L 8.23 4.35 0.00 1.89 1.79 0.83 0.41 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 69 Q 8.01 4.13 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.03 0.00 0.00 0.00 0.00 0.00 2.43 2.68 0.00 70 E 7.86 4.21 0.00 2.17 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 2.36 2.60 0.00 71 K 7.28 4.40 0.00 1.45 1.08 0.00 0.61 0.00 0.00 0.77 0.00 0.00 2.57 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.07 1.13 7.81 72 E 8.93 3.91 0.00 1.87 1.91 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 2.25 2.41 0.00 73 E 7.88 4.12 0.00 2.12 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 1.48 1.97 0.00 74 W 7.93 4.88 0.00 3.62 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 75 K 8.23 4.21 0.00 1.95 2.22 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.55 7.81 76 R 7.80 4.29 0.00 1.81 2.01 0.00 3.26 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 77 I 7.53 3.84 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.62 0.86 0.00 0.00 78 P 0.00 4.43 0.00 2.05 2.13 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.90 0.00 79 V 8.32 4.80 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 1.07 0.00 0.00 0.95 0.00 0.00 80 I 8.64 4.68 1.92 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.42 1.00 0.00 0.00 81 V 8.72 4.36 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 0.90 0.00 0.00 0.92 0.00 0.00 82 L 8.70 5.15 0.00 1.50 1.41 0.83 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.86 4.73 4.17 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 1.32 0.00 0.00 84 A 8.77 4.04 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 85 K 8.12 4.07 0.00 1.79 2.00 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.64 7.81 86 G 8.68 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 0.00 0.00 0.00 87 G 7.66 3.93 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 0.00 88 E 8.68 4.03 0.00 2.03 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 2.41 2.39 0.00 89 E 8.09 3.94 0.00 2.03 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 2.37 0.00 90 D 8.12 4.54 0.00 2.83 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.07 3.95 0.00 2.05 2.14 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 2.34 2.35 0.00 92 S 8.14 4.06 0.00 3.94 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.98 3.82 0.00 1.67 1.61 0.72 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.32 4.18 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.22 4.01 0.00 1.86 1.75 0.94 0.81 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 96 S 8.28 4.25 0.00 4.00 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 97 L 7.42 4.57 0.00 1.99 1.81 0.93 1.15 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 98 G 8.05 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 99 A 7.73 4.08 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 0.00 100 R 8.79 4.23 0.00 1.76 2.00 0.00 3.34 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.70 0.00 101 K 7.85 4.62 0.00 1.95 1.60 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.46 7.81 102 V 8.43 4.79 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 0.91 0.00 0.00 0.97 0.00 0.00 103 M 9.36 4.85 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 104 R 8.61 4.83 0.00 1.85 1.85 0.00 3.25 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 105 K 8.77 4.64 0.00 1.67 1.74 0.00 1.85 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.42 7.81 106 P 0.00 4.34 0.00 2.05 1.96 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 107 F 8.05 4.76 0.00 3.12 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 0.00 108 S 8.61 4.39 0.00 3.97 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 0.00 109 P 0.00 4.78 0.00 2.32 2.54 0.00 3.69 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 110 S 8.19 4.20 0.00 4.10 4.19 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 0.00 111 Q 8.14 4.05 0.00 2.45 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 112 F 8.80 4.19 0.00 3.04 3.33 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 0.00 113 I 8.24 3.48 2.00 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 1.80 0.91 0.94 0.00 0.00 114 E 8.20 3.90 0.00 2.20 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 2.31 2.33 0.00 115 E 8.06 3.88 0.00 2.13 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 2.30 2.30 0.00 116 V 7.49 3.31 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 0.72 0.00 0.00 0.10 0.00 0.00 117 K 8.21 3.93 0.00 1.83 1.87 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.69 7.81 118 H 8.04 4.09 0.00 3.09 3.59 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.99 3.96 0.00 1.73 1.59 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.96 4.06 0.00 1.48 1.61 0.14 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 121 N 7.55 4.79 0.00 2.78 2.83 0.00 0.00 7.03 7.66 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 0.00 122 E 7.61 4.11 0.00 2.06 1.82 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 2.27 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.