NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.1549 8.3033 121.4504 55.9852 31.9836 177.7278 3 Q 3.8265 7.8706 117.9084 56.9311 29.0902 176.1279 4 Q 4.0253 8.8510 119.3906 59.6599 28.5984 178.7371 5 L 3.5568 7.5244 119.9948 57.3000 41.6267 179.1855 6 K 3.8608 7.4743 118.1810 59.1797 32.0082 178.3694 7 D 4.4234 8.3492 120.8066 56.0818 40.7684 178.6308 8 I 3.4727 7.4651 120.6011 63.7506 37.0673 178.3638 9 I 3.4897 7.6308 121.0924 64.2930 36.7397 178.4646 10 S 4.0116 7.6430 114.8637 61.4465 62.6828 176.1151 11 A 3.9587 7.8623 124.5032 55.1311 18.0449 179.5112 12 C 3.9338 7.7030 115.0537 62.8634 27.6676 175.6387 13 D 4.3061 8.4836 119.9816 57.2324 40.5662 178.3017 14 L 3.9168 8.2055 120.7944 57.9796 42.2372 178.5614 15 A 4.2818 7.9379 121.8753 54.3552 18.1458 179.5117 16 I 3.6971 7.5928 118.2790 64.1329 37.1667 178.4163 17 Q 4.0329 7.3983 117.2154 58.7484 28.6104 177.5506 18 N 4.5602 8.1392 114.6412 52.2873 38.7526 174.7192 19 E 2.8925 7.3472 118.9489 57.2678 28.4319 175.5280 20 D 4.7052 7.0033 115.0591 51.6690 38.6205 176.9212 21 F 4.3974 6.9291 121.3861 60.2632 39.7935 177.7076 22 D 4.5548 8.1759 120.2364 55.9532 39.4104 177.3821 23 T 4.3759 7.8084 108.5704 62.6375 69.8580 175.6092 24 L 4.4219 7.2571 124.8887 55.1730 41.3355 177.7967 *26 N 4.6903 8.1077 114.7722 52.8286 40.6414 174.9398 27 Y 4.6080 7.7523 114.5054 58.4419 39.2724 174.9877 28 Y 5.2492 7.9588 116.7343 56.3514 40.3246 175.6070 29 S 4.5515 8.7386 117.4690 57.7870 64.5662 173.8208 30 E 4.1823 8.9315 120.3605 58.1062 30.4835 177.2391 31 D 4.8504 7.6234 116.7673 52.9413 40.3307 176.8217 32 A 4.5267 8.1037 121.0443 53.1700 20.0154 177.4270 33 V 4.8628 8.9530 111.6270 59.5856 36.1470 174.8905 34 L 5.0504 8.8077 125.9559 53.2795 45.2874 175.2974 35 V 4.1252 9.2514 127.9787 61.9749 31.2766 176.0327 36 V 3.6929 8.4738 128.7471 65.1985 31.7389 175.9253 37 K 4.8751 7.3965 114.1136 55.3790 34.8094 173.1077 38 P 3.6513 0.0000 0.0000 64.2877 31.7741 176.1462 39 G 3.6023 8.2386 112.0202 45.8105 0.0000 172.3818 *41 I 4.1300 7.3703 113.2501 60.9970 39.5300 175.8179 42 A 4.7377 8.6889 125.6872 50.2371 21.4549 175.5159 43 R 4.8081 8.6633 121.2476 55.4423 32.9176 176.9102 44 G 4.4761 9.0720 109.2230 45.9131 0.0000 174.4724 45 K 3.8694 8.6764 120.4310 59.3115 32.0299 179.2732 46 E 3.8930 8.0598 118.7967 59.4805 29.7795 178.4256 47 E 3.9407 8.1406 118.0278 59.6381 29.5932 179.4557 48 I 3.5525 7.6884 119.7559 63.9085 37.0731 178.3987 49 K 4.0190 8.1109 120.5521 59.4885 32.0610 178.9841 50 K 3.8333 8.0599 118.4838 59.3138 31.8874 178.9332 51 A 3.8417 7.8766 120.9300 55.3627 17.9989 179.7840 52 F 4.0858 7.5111 114.5051 60.6660 39.0311 177.6575 53 I 3.2521 6.9818 118.3116 64.4734 37.1281 178.3470 54 T 4.0932 8.2101 117.1465 66.5533 68.0744 176.4889 55 I 4.0570 7.6660 111.7231 61.3502 37.7497 177.4746 56 A 4.4017 7.9450 124.1965 55.3009 19.7322 179.2059 57 N 4.7842 8.0110 114.9715 51.6421 36.2916 173.9375 58 Y 4.7634 7.5367 116.8457 57.1185 42.5718 174.9090 59 F 5.2713 8.5932 123.1814 57.1780 42.5488 172.6366 60 N 4.4548 7.7148 123.4678 51.6053 40.0137 174.0480 61 H 3.7527 8.4173 124.6852 57.1358 29.3564 172.3247 62 H 3.8958 8.4884 129.8047 56.0991 27.0684 172.8120 63 I 4.6525 7.7532 122.7241 59.3509 41.1583 175.6092 64 V 4.5277 7.8403 125.0149 58.5052 31.2620 173.2238 65 P 4.7214 0.0000 0.0000 64.2698 32.5283 176.3153 66 T 4.6098 8.8644 118.0656 62.1314 73.2397 173.0704 67 Q 4.1713 9.0328 128.3593 56.8686 29.5127 175.9027 68 G 4.3313 8.4491 114.2215 44.9076 0.0000 170.9769 69 K 4.0311 8.8596 123.1779 56.8995 33.5602 176.7734 *71 I 4.2236 8.1120 119.4928 61.1446 38.8363 174.9903 72 L 5.0465 8.4311 124.3445 53.0449 44.6119 176.1367 73 L 4.5341 9.1397 125.1731 53.0589 43.0692 174.5964 74 E 4.6569 8.5851 124.6562 54.2186 30.7359 176.1793 75 A 4.7372 8.2137 128.7647 50.6949 20.2780 176.7961 76 G 3.9757 8.8046 113.5774 45.9164 0.0000 173.1190 77 D 4.4037 9.5049 120.6596 56.8590 42.4302 174.8780 78 T 5.6065 7.8402 107.5501 60.1717 72.6768 173.1495 79 V 4.7638 8.9061 120.9721 61.4421 35.3210 173.0765 80 L 4.9837 9.2433 131.0341 53.8753 43.5504 174.9724 81 V 4.6375 9.1760 127.6515 61.6257 33.3685 174.6636 82 L 5.1320 8.9739 129.2131 52.4185 41.8357 174.3404 83 S 4.5787 8.1149 117.9861 56.9244 64.2262 171.9388 84 Q 4.9094 9.0245 129.3425 55.1099 30.9891 174.1539 85 T 5.0090 8.4801 122.4301 61.7915 71.7271 173.0465 86 L 4.6645 9.1308 126.8851 53.9492 43.0945 177.4864 87 L 4.0441 8.6482 124.8662 57.3720 42.7795 177.8915 88 D 4.5697 8.1279 115.9762 54.6881 42.9648 175.6968 *99 E 4.3456 7.7908 115.1428 56.2179 31.3500 175.9624 100 R 4.3273 8.9603 119.9268 54.8756 32.8609 174.2467 101 R 4.7060 8.5715 126.8240 55.2579 31.0934 176.0180 102 A 4.6748 8.7862 127.0812 50.4444 21.8551 175.6934 103 T 4.6679 7.7656 108.0003 60.3919 71.5294 172.5736 104 Y 5.1353 8.7277 124.2798 56.0189 41.7973 175.2141 105 V 4.9278 8.6164 121.2173 61.4408 34.5913 174.3390 106 F 5.4318 9.2828 126.4473 55.7828 42.5761 174.5345 107 K 5.2131 9.3404 122.5515 54.5811 35.2557 174.9422 108 K 3.9221 7.6182 129.5066 55.4591 32.4667 176.6145 109 N 4.5709 8.2483 125.9385 51.7386 38.9687 175.5250 110 A 3.9162 8.5130 120.1964 55.6846 18.2976 179.1672 111 Q 3.9473 7.8845 112.7421 57.5506 28.8032 177.6927 112 G 3.7822 8.0875 106.2676 44.7870 0.0000 172.5596 113 E 4.5841 8.1911 118.8817 54.2424 31.6790 175.3699 114 W 4.6909 8.9505 124.5753 56.6661 29.6840 175.7355 115 L 5.1136 9.0173 125.1191 53.3128 44.5454 175.0661 116 C 4.0824 9.1927 121.7254 58.7243 32.5109 173.9650 117 V 4.2448 8.9129 125.3090 63.6098 34.2945 175.0847 118 I 4.9053 7.5738 120.7095 59.6792 40.8595 174.1715 119 D 5.1698 9.3928 128.8039 52.7074 42.5270 173.3436 120 N 5.3475 8.6993 124.3834 50.8513 39.2269 174.7119 121 S 4.3612 8.9494 114.5019 59.4026 63.5455 175.1354 122 Y 4.3205 8.5437 118.7313 57.1082 39.8849 177.0366 123 G 4.0143 8.3460 109.0582 45.5521 0.0000 175.5802 124 T 4.1245 8.3240 110.6130 63.6419 68.5124 176.1242 125 D 4.4605 8.0329 122.0287 57.0062 40.5253 177.9327 126 L 3.7058 7.5709 120.2737 58.0743 41.9728 178.3376 127 I 3.7821 7.5404 119.1880 64.2668 37.3825 176.2067 128 G 3.7401 7.4897 112.2347 45.8124 0.0000 173.1830 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 E 8.30 4.15 0.00 1.95 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 2.20 2.28 0.00 3 Q 7.87 3.83 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 4 Q 8.85 4.03 0.00 2.27 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 5 L 7.52 3.56 0.00 1.39 1.27 0.35 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 6 K 7.47 3.86 0.00 1.94 1.86 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.43 7.81 7 D 8.35 4.42 0.00 2.78 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 8 I 7.47 3.47 1.68 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 1.49 0.75 0.62 0.00 0.00 9 I 7.63 3.49 1.90 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.82 0.82 0.00 0.00 10 S 7.64 4.01 0.00 3.93 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 11 A 7.86 3.96 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 12 C 7.70 3.93 0.00 2.92 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 13 D 8.48 4.31 0.00 2.75 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 L 8.21 3.92 0.00 1.83 1.75 0.88 1.24 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 15 A 7.94 4.28 1.41 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 16 I 7.59 3.70 2.02 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 1.27 0.89 1.06 0.00 0.00 17 Q 7.40 4.03 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.19 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 18 N 8.14 4.56 0.00 2.77 2.75 0.00 0.00 7.29 8.30 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 19 E 7.35 2.89 0.00 1.92 1.79 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 2.30 2.33 0.00 20 D 7.00 4.71 0.00 2.92 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 21 F 6.93 4.40 0.00 3.26 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 0.00 22 D 8.18 4.55 0.00 2.79 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 23 T 7.81 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 1.30 0.00 0.00 24 L 7.26 4.42 0.00 1.83 1.85 0.97 0.10 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 *26 N 8.11 4.69 0.00 2.51 2.62 0.00 0.00 7.12 7.46 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 27 Y 7.75 4.61 0.00 2.91 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 28 Y 7.96 5.25 0.00 2.98 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 29 S 8.74 4.55 0.00 3.95 4.11 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 0.00 0.00 0.00 0.00 30 E 8.93 4.18 0.00 2.15 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 2.39 2.39 0.00 31 D 7.62 4.85 0.00 2.71 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 32 A 8.10 4.53 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 33 V 8.95 4.86 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 0.71 0.00 0.00 1.02 0.00 0.00 34 L 8.81 5.05 0.00 1.48 1.28 0.52 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 35 V 9.25 4.13 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 0.54 0.00 0.00 0.92 0.00 0.00 36 V 8.47 3.69 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 0.74 0.00 0.00 0.76 0.00 0.00 37 K 7.40 4.88 0.00 1.81 1.76 0.00 1.08 0.00 0.00 2.27 0.00 0.00 3.01 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.24 1.37 7.81 38 P 0.00 3.65 0.00 1.92 1.90 0.00 3.68 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.53 0.00 39 G 8.24 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *41 I 7.37 4.13 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.59 0.84 0.00 0.00 42 A 8.69 4.74 1.09 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 0.00 0.00 43 R 8.66 4.81 0.00 1.63 1.80 0.00 3.14 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 44 G 9.07 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.68 3.87 0.00 1.83 1.92 0.00 1.98 0.00 0.00 1.81 0.00 0.00 3.18 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.64 1.67 7.81 46 E 8.06 3.89 0.00 2.03 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 2.36 2.40 0.00 47 E 8.14 3.94 0.00 2.17 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 2.36 2.38 0.00 48 I 7.69 3.55 1.83 0.00 0.00 0.59 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 1.08 0.57 0.00 0.00 49 K 8.11 4.02 0.00 2.03 1.97 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.58 7.81 50 K 8.06 3.83 0.00 1.96 1.78 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.54 7.81 51 A 7.88 3.84 1.09 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 0.00 0.00 52 F 7.51 4.09 0.00 2.96 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 53 I 6.98 3.25 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.01 0.90 0.00 0.00 54 T 8.21 4.09 4.34 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 1.24 0.00 0.00 55 I 7.67 4.06 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.62 0.78 0.00 0.00 56 A 7.95 4.40 1.66 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 0.00 0.00 57 N 8.01 4.78 0.00 2.77 2.90 0.00 0.00 5.77 7.55 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 58 Y 7.54 4.76 0.00 2.98 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 59 F 8.59 5.27 0.00 2.89 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 7.71 4.45 0.00 2.59 2.43 0.00 0.00 6.97 7.89 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 61 H 8.42 3.75 0.00 3.00 3.18 0.00 6.12 0.00 0.00 0.00 0.00 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.49 3.90 0.00 3.21 3.22 0.00 5.77 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.75 4.65 1.82 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 1.38 0.82 0.96 0.00 0.00 64 V 7.84 4.53 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 0.95 0.00 0.00 65 P 0.00 4.72 0.00 2.13 2.15 0.00 3.84 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 66 T 8.86 4.61 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 1.21 0.00 0.00 67 Q 9.03 4.17 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 68 G 8.45 4.33 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 0.00 69 K 8.86 4.03 0.00 1.97 1.75 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.44 7.81 *71 I 8.11 4.22 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 1.33 0.37 0.90 0.00 0.00 72 L 8.43 5.05 0.00 1.39 1.46 0.86 0.73 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 73 L 9.14 4.53 0.00 1.53 1.61 0.92 0.62 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 74 E 8.59 4.66 0.00 1.88 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 2.31 2.39 0.00 75 A 8.21 4.74 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 76 G 8.80 3.98 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 0.00 77 D 9.50 4.40 0.00 2.76 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 78 T 7.84 5.61 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 79 V 8.91 4.76 1.76 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 0.72 0.00 0.00 0.28 0.00 0.00 80 L 9.24 4.98 0.00 1.79 1.55 0.99 0.72 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 81 V 9.18 4.64 2.42 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 1.14 0.00 0.00 1.08 0.00 0.00 82 L 8.97 5.13 0.00 1.47 1.56 0.91 0.80 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 83 S 8.11 4.58 0.00 4.06 3.86 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 84 Q 9.02 4.91 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.52 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 85 T 8.48 5.01 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 1.24 0.00 0.00 86 L 9.13 4.66 0.00 1.65 1.57 0.92 0.31 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 87 L 8.65 4.04 0.00 1.77 1.65 0.93 1.21 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 88 D 8.13 4.57 0.00 2.67 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 *99 E 7.79 4.35 0.00 1.99 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 2.17 2.31 0.00 100 R 8.96 4.33 0.00 1.77 1.76 0.00 2.96 0.00 0.00 3.09 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.46 0.00 101 R 8.57 4.71 0.00 1.77 1.83 0.00 3.14 0.00 0.00 3.32 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 102 A 8.79 4.67 0.89 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 0.00 0.00 103 T 7.77 4.67 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 1.14 0.00 0.00 104 Y 8.73 5.14 0.00 3.08 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 0.00 105 V 8.62 4.93 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 1.13 0.00 0.00 0.97 0.00 0.00 106 F 9.28 5.43 0.00 3.16 3.39 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 0.00 107 K 9.34 5.21 0.00 1.91 1.71 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.47 7.81 108 K 7.62 3.92 0.00 0.79 0.74 0.00 1.49 0.00 0.00 1.50 0.00 0.00 2.59 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.94 0.52 7.81 109 N 8.25 4.57 0.00 2.82 2.92 0.00 0.00 6.43 8.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.51 3.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 7.88 3.95 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.77 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 112 G 8.09 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.19 4.58 0.00 2.09 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 2.18 2.41 0.00 114 W 8.95 4.69 0.00 3.15 3.26 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 0.00 115 L 9.02 5.11 0.00 1.73 1.69 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 116 C 9.19 4.08 0.00 2.57 2.41 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 0.00 117 V 8.91 4.24 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 1.06 0.00 0.00 1.07 0.00 0.00 118 I 7.57 4.91 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.62 0.94 0.00 0.00 119 D 9.39 5.17 0.00 2.97 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 0.00 120 N 8.70 5.35 0.00 2.94 2.83 0.00 0.00 6.77 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 0.00 121 S 8.95 4.36 0.00 4.03 4.22 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 0.00 122 Y 8.54 4.32 0.00 3.25 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 0.00 123 G 8.35 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 0.00 124 T 8.32 4.12 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 1.20 0.00 0.00 125 D 8.03 4.46 0.00 3.07 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 0.00 126 L 7.57 3.71 0.00 1.82 1.68 0.61 1.49 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 0.00 127 I 7.54 3.78 2.01 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 1.22 0.64 0.91 0.00 0.00 128 G 7.49 3.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.