NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 C 4.2863 8.3449 120.8329 59.2359 32.8336 172.6165 13 N 4.0698 8.5576 117.8714 53.7511 35.9886 173.7033 14 G 4.6277 7.4434 117.5470 45.6522 0.0000 169.9332 15 Y 5.3563 7.4160 121.9174 55.2051 42.0951 173.8715 16 V 4.7296 9.0362 120.3253 61.2331 35.2779 174.3406 17 I 4.6278 9.4340 129.4137 60.0082 39.1976 174.3291 18 D 4.9350 8.7353 126.9316 52.7192 44.4476 175.4946 19 H 4.1244 8.5934 115.6399 56.7623 26.8274 175.4795 20 I 4.0233 7.1931 119.3183 60.2770 37.8438 173.9973 21 P 4.6009 0.0000 0.0000 62.4925 32.1839 176.1682 22 S 4.4992 8.6935 117.7250 61.0309 62.3590 171.5238 23 G 4.1334 9.4078 118.1853 45.7962 0.0000 175.4762 24 Q 4.3231 8.4544 119.9084 57.8115 28.5319 178.7645 25 G 3.7311 8.1533 107.4981 47.8139 0.0000 176.1642 26 V 3.9783 8.0927 120.9190 64.1527 31.3178 178.5874 27 K 4.0532 8.0025 119.2675 59.4858 31.9207 178.7759 28 I 3.7273 7.7756 119.9710 64.6067 36.8673 178.2125 29 L 4.1395 7.9904 121.9101 58.4430 41.3204 180.3580 30 K 4.0714 7.7365 121.5874 60.0856 31.8615 181.0471 31 L 4.3303 8.7736 119.7523 56.2921 41.5907 178.0165 32 F 4.5150 8.0773 117.5127 56.8210 39.7676 176.0732 33 S 3.8352 7.8759 116.8875 59.0604 59.8946 178.8339 34 L 4.2581 8.1154 121.9291 57.8725 41.8440 178.6187 35 T 4.2984 7.7691 106.4415 62.0354 69.8904 175.1140 36 D 4.6984 7.6141 123.9655 53.4796 39.1340 174.0108 37 T 4.6402 7.1131 115.3500 62.8655 73.1304 174.1005 38 K 4.3087 8.5024 122.1220 57.5366 32.9185 177.9164 39 Q 4.0770 7.9993 120.9676 54.8947 28.7609 182.2048 40 R 4.0548 8.6748 123.4460 56.7381 30.4623 172.2561 41 V 4.7422 8.3862 123.5013 60.5082 33.9059 174.5024 42 T 4.6452 8.8619 125.2333 61.9589 70.7334 173.9528 43 V 4.6752 8.2270 124.7166 61.1936 35.0373 174.1809 44 G 4.1048 8.7289 113.9666 44.3003 0.0000 171.2402 45 F 5.3994 8.6051 122.1571 55.8392 41.4045 173.0340 46 N 4.2238 8.9117 124.0104 53.3478 35.3602 173.1690 47 L 4.3359 8.3077 122.6336 56.1111 43.9533 178.0937 *55 K 4.3601 7.6633 120.6914 55.2288 33.3379 177.0354 56 D 4.8364 9.2341 125.1788 52.6377 43.6280 175.8544 57 L 4.4970 8.0945 122.0677 54.5772 45.5475 173.9136 58 I 4.9014 8.7968 129.9805 59.9913 40.6003 175.5933 59 K 4.8670 9.3620 128.8329 53.4702 36.3227 173.8353 60 V 4.7291 8.2724 117.9898 59.8395 35.7170 175.1400 61 E 4.8399 8.6916 122.4143 55.4746 31.6385 173.9300 62 N 4.2182 8.7216 118.0248 54.4058 36.4380 175.1586 63 T 4.5570 7.9298 115.7936 62.5215 71.9181 174.8477 64 E 4.4559 8.7629 122.5385 55.7556 30.8480 172.5688 65 I 4.3742 7.5875 117.0543 60.0617 41.1268 175.6412 66 T 4.2863 8.9077 125.0974 63.3557 70.5570 176.7814 67 K 3.9824 8.3684 126.4999 60.1345 31.4983 178.7915 68 S 4.3860 7.9217 112.7896 60.9854 62.7007 175.9341 69 Q 4.1222 7.9863 120.4145 58.9002 28.6440 178.1180 70 A 3.8904 7.6913 121.5334 55.1721 18.4287 179.3560 71 N 4.3758 8.0710 114.2877 56.2863 38.2752 177.4796 72 Q 4.1968 7.7889 118.6155 58.8778 29.1674 178.3956 73 L 3.9247 8.0119 119.4694 56.8969 41.4428 178.8446 74 A 4.1279 7.7709 121.6030 54.3952 18.5396 179.1163 75 L 4.3372 7.9148 114.3130 56.3938 42.4633 177.8936 76 L 4.3610 7.9375 117.0870 56.7535 42.0096 177.4263 77 A 4.7021 7.6066 118.5074 50.1774 20.4386 174.2031 78 P 4.3403 0.0000 0.0000 64.2004 31.6206 177.7523 79 N 4.7311 7.4890 114.8303 53.1440 38.9161 174.8241 80 A 5.3020 7.8421 122.8171 50.2152 20.7444 178.6836 81 T 4.0205 8.6009 116.7368 62.2966 70.2445 170.1450 82 I 5.5585 8.2994 123.7142 58.2526 39.2857 173.0697 83 N 5.0335 8.3585 123.4089 52.2351 40.0282 174.1950 84 I 4.2622 8.4860 125.8446 61.2465 38.6281 174.9181 85 I 4.8520 8.6548 128.5512 59.7263 39.4194 174.7086 86 E 4.7156 9.3643 127.9827 54.7177 32.4452 174.8651 87 N 4.0356 9.4452 127.3143 54.6715 36.2501 174.9245 *88 F 3.6383 8.4392 117.0106 59.0498 38.3327 174.5925 89 K 4.6059 7.4737 119.6108 52.5076 34.9510 179.9498 90 V 4.4813 8.1982 121.7065 62.3058 30.1268 175.6006 91 T 4.4197 8.2318 115.8416 62.0532 69.6420 173.6771 92 D 4.5545 7.8891 123.3694 54.2528 44.9170 175.5101 93 K 5.3476 7.7682 122.0821 55.0331 32.7526 174.7736 *94 H 4.2120 8.1074 121.5722 56.3163 30.0405 177.0997 95 S 4.8869 8.6303 119.6913 57.5425 64.9813 173.0157 96 L 4.9292 8.2812 120.2660 53.5616 43.2280 176.7025 97 T 4.6407 8.2794 118.9564 60.9149 71.5762 173.8063 98 L 3.9470 8.4262 125.5435 55.0151 42.3917 175.5384 99 P 4.7017 0.0000 0.0000 62.0140 33.0124 175.4256 100 N 4.6576 8.5820 114.2132 55.7380 39.6291 175.2165 101 E 5.0774 8.0131 117.8748 54.8513 33.0606 174.6324 102 V 4.5253 9.2058 129.8380 62.1154 32.8480 175.7396 103 E 4.8726 9.2331 127.1318 54.2940 32.0917 170.5531 104 N 4.5678 8.5410 115.8927 54.1465 36.3995 173.9792 105 V 3.7465 8.3456 122.4527 63.8412 33.6221 175.8764 106 F 5.1225 7.8608 115.8600 54.7813 41.7850 173.2216 107 P 4.7205 0.0000 0.0000 61.9585 31.8612 175.5675 108 C 4.6371 8.6289 120.4054 58.9963 31.9421 172.9446 109 P 4.0296 0.0000 0.0000 64.6949 31.3303 175.8978 110 N 4.6776 7.6667 118.8626 52.8518 38.6460 175.7559 111 S 4.1844 8.7087 121.5835 60.9774 63.3909 174.6188 112 N 4.5643 8.3958 117.6150 53.9743 39.3525 174.5076 113 C 4.1968 7.9890 119.2475 59.9827 31.8795 174.0416 114 I 3.7389 8.5286 126.9487 63.6107 37.4801 177.3001 115 T 3.5192 7.6142 114.2604 65.2497 67.1296 175.6101 116 H 4.2751 7.2377 118.7432 58.8677 28.8628 176.6512 117 G 3.7939 7.9287 106.3606 46.4299 0.0000 172.8461 118 E 4.6227 7.3728 118.8972 53.9422 32.0092 174.9298 119 P 4.6090 0.0000 0.0000 61.5624 30.0979 175.7333 120 V 4.4830 6.9355 113.9902 60.2248 35.9287 175.7023 121 T 4.3150 8.3884 120.0521 63.1347 68.7254 174.9060 122 S 4.3340 8.6484 120.8411 58.8199 64.8982 173.4254 123 S 5.1629 7.8554 115.8044 58.1326 65.3262 172.7039 124 F 5.5305 9.1166 125.7617 55.7020 42.7417 174.2418 125 S 5.2119 9.3501 117.0091 56.9191 65.9024 173.3532 126 I 5.0494 8.4850 123.2504 58.8598 38.2176 174.5736 127 K 4.2822 8.5885 131.1013 56.0660 33.9551 176.2472 128 K 4.5257 8.4837 130.8362 53.5662 31.9721 174.2902 129 T 3.8811 9.3113 126.2127 64.1992 68.8152 178.9567 130 K 4.5005 7.0174 123.0999 55.9479 33.6878 176.6708 131 G 4.2961 7.7369 104.3747 44.6491 0.0000 171.4843 132 N 4.8713 8.8280 117.4119 51.1113 41.9495 173.3366 133 I 4.4191 8.4250 123.9542 59.9046 38.8852 174.8678 134 G 4.3419 8.6430 114.6715 44.4816 0.0000 172.1400 135 L 5.1300 9.4495 123.3082 52.6877 44.1320 175.3744 136 K 4.8325 9.0116 127.2049 55.1654 33.8276 175.3265 137 C 4.4585 9.2235 129.3652 59.1474 31.9809 173.8902 138 K 3.3683 9.1765 129.4666 60.0809 31.7261 177.0026 139 Y 4.1691 8.0979 117.0196 60.1679 38.3340 175.9907 140 C 4.2477 8.0254 115.5853 59.2489 30.4895 174.9134 141 E 3.9823 8.0605 118.4177 57.0008 27.4881 174.3720 142 K 4.3046 7.4902 117.5643 56.2150 33.7980 175.8536 143 T 4.9458 7.8749 118.5260 61.8428 70.9755 173.7038 144 F 5.1229 8.8765 123.9808 55.2976 43.5086 174.4484 145 S 4.7019 9.1458 119.7260 59.3984 63.9270 175.8587 146 K 4.0394 9.0769 127.1127 57.7635 32.0259 175.2950 147 D 4.3752 8.3967 119.7546 57.4737 40.4491 179.0703 148 I 3.6266 7.6507 118.7086 64.5481 37.1787 178.3450 149 V 3.4801 7.2960 117.2458 65.7225 31.4374 177.7979 150 T 3.5774 7.7277 115.4213 66.2280 68.3490 174.1647 151 E 4.1154 7.6611 123.4141 56.8076 29.5248 176.7339 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 12 C 8.34 4.29 0.00 2.94 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 13 N 8.56 4.07 0.00 2.98 2.80 0.00 0.00 6.58 6.69 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 14 G 7.44 4.63 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 0.00 0.00 0.00 15 Y 7.42 5.36 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.04 4.73 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 0.95 0.00 0.00 0.89 0.00 0.00 17 I 9.43 4.63 1.88 0.00 0.00 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 1.32 1.01 0.90 0.00 0.00 18 D 8.74 4.94 0.00 2.70 2.52 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 19 H 8.59 4.12 0.00 3.39 3.44 0.00 5.90 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.19 4.02 1.98 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 1.34 0.87 0.95 0.00 0.00 21 P 0.00 4.60 0.00 2.24 2.19 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 22 S 8.69 4.50 0.00 3.65 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 23 G 9.41 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 0.00 0.00 0.00 24 Q 8.45 4.32 0.00 2.42 2.29 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 2.37 2.24 0.00 25 G 8.15 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 0.00 0.00 0.00 26 V 8.09 3.98 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 0.89 0.00 0.00 0.89 0.00 0.00 27 K 8.00 4.05 0.00 2.06 1.99 0.00 1.79 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.59 1.75 7.81 28 I 7.78 3.73 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 1.52 1.03 0.79 0.00 0.00 29 L 7.99 4.14 0.00 1.93 1.80 0.97 1.17 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 30 K 7.74 4.07 0.00 1.88 1.73 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.35 7.81 31 L 8.77 4.33 0.00 1.85 1.57 0.89 0.27 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 32 F 8.08 4.51 0.00 3.08 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 33 S 7.88 3.84 0.00 3.72 3.84 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 34 L 8.12 4.26 0.00 1.69 1.81 0.97 1.10 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 35 T 7.77 4.30 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 1.25 0.00 0.00 36 D 7.61 4.70 0.00 2.91 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 37 T 7.11 4.64 4.32 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 1.23 0.00 0.00 38 K 8.50 4.31 0.00 2.00 1.84 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.37 0.98 7.81 39 Q 8.00 4.08 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.85 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 40 R 8.67 4.05 0.00 1.49 1.87 0.00 3.15 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.22 0.00 41 V 8.39 4.74 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 1.00 0.00 0.00 0.96 0.00 0.00 42 T 8.86 4.65 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 1.14 0.00 0.00 43 V 8.23 4.68 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 0.02 0.00 0.00 0.86 0.00 0.00 44 G 8.73 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 0.00 0.00 0.00 45 F 8.61 5.40 0.00 2.93 2.97 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 0.00 0.00 0.00 46 N 8.91 4.22 0.00 2.95 2.98 0.00 0.00 6.92 7.60 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 47 L 8.31 4.34 0.00 1.59 1.67 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 *55 K 7.66 4.36 0.00 1.47 1.74 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.05 7.81 56 D 9.23 4.84 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 57 L 8.09 4.50 0.00 1.65 1.34 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.80 4.90 1.82 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 0.96 0.68 0.83 0.00 0.00 59 K 9.36 4.87 0.00 1.34 1.60 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 1.25 7.81 60 V 8.27 4.73 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 0.42 0.00 0.00 0.04 0.00 0.00 61 E 8.69 4.84 0.00 1.76 1.72 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 2.18 2.14 0.00 62 N 8.72 4.22 0.00 2.86 2.96 0.00 0.00 6.73 7.10 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 63 T 7.93 4.56 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 1.42 0.00 0.00 64 E 8.76 4.46 0.00 1.99 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 2.22 1.89 0.00 65 I 7.59 4.37 1.42 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.66 0.42 0.00 0.00 66 T 8.91 4.29 4.36 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 1.20 0.00 0.00 67 K 8.37 3.98 0.00 1.76 1.82 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.06 7.81 68 S 7.92 4.39 0.00 3.85 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 69 Q 7.99 4.12 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 70 A 7.69 3.89 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 71 N 8.07 4.38 0.00 3.04 2.91 0.00 0.00 6.95 7.45 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 72 Q 7.79 4.20 0.00 2.43 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.00 0.00 0.00 0.00 0.00 0.00 2.50 2.70 0.00 73 L 8.01 3.92 0.00 1.65 1.52 0.72 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.77 4.13 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 75 L 7.91 4.34 0.00 1.91 1.92 1.10 0.97 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 76 L 7.94 4.36 0.00 1.75 1.82 1.13 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.61 4.70 1.23 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 0.00 0.00 78 P 0.00 4.34 0.00 2.19 2.29 0.00 3.38 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 79 N 7.49 4.73 0.00 2.67 2.85 0.00 0.00 6.86 7.23 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 80 A 7.84 5.30 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 81 T 8.60 4.02 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 82 I 8.30 5.56 1.97 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 1.24 1.89 0.85 0.00 0.00 83 N 8.36 5.03 0.00 2.67 2.78 0.00 0.00 7.64 7.22 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 84 I 8.49 4.26 1.89 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 1.34 1.15 0.99 0.00 0.00 85 I 8.65 4.85 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 1.11 0.79 0.94 0.00 0.00 86 E 9.36 4.72 0.00 1.95 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 2.20 2.29 0.00 87 N 9.45 4.04 0.00 2.91 2.87 0.00 0.00 6.99 6.73 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 *88 F 8.44 3.64 0.00 2.66 2.35 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 89 K 7.47 4.61 0.00 1.63 1.59 0.00 1.85 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 1.20 7.81 90 V 8.20 4.48 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 1.03 0.00 0.00 0.93 0.00 0.00 91 T 8.23 4.42 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 1.33 0.00 0.00 92 D 7.89 4.55 0.00 2.71 2.51 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 0.00 0.00 0.00 0.00 93 K 7.77 5.35 0.00 1.53 1.54 0.00 1.76 0.00 0.00 0.61 0.00 0.00 2.65 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.27 0.88 7.81 *94 H 8.11 4.21 0.00 2.92 3.01 0.00 7.13 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.63 4.89 0.00 3.74 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 96 L 8.28 4.93 0.00 1.67 1.56 0.95 0.75 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 97 T 8.28 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 98 L 8.43 3.95 0.00 1.60 1.61 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.70 0.00 2.27 2.11 0.00 3.87 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 100 N 8.58 4.66 0.00 2.70 2.92 0.00 0.00 6.23 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 0.00 101 E 8.01 5.08 0.00 1.96 1.80 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 2.31 2.35 0.00 102 V 9.21 4.53 2.43 0.00 0.00 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 1.13 0.00 0.00 103 E 9.23 4.87 0.00 1.74 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 2.22 1.97 0.00 104 N 8.54 4.57 0.00 2.66 2.93 0.00 0.00 6.10 7.68 0.00 0.00 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 8.35 3.75 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 -0.51 0.00 0.00 0.47 0.00 0.00 106 F 7.86 5.12 0.00 2.98 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 0.00 107 P 0.00 4.72 0.00 2.31 2.14 0.00 3.98 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 2.06 2.02 0.00 108 C 8.63 4.64 0.00 3.05 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.03 0.00 0.49 1.49 0.00 3.34 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.59 0.00 110 N 7.67 4.68 0.00 3.41 2.95 0.00 0.00 6.77 7.09 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 0.00 111 S 8.71 4.18 0.00 4.01 3.97 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 0.00 0.00 0.00 112 N 8.40 4.56 0.00 2.74 3.03 0.00 0.00 7.13 7.20 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 0.00 113 C 7.99 4.20 0.00 3.18 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 0.00 114 I 8.53 3.74 1.86 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 0.97 0.82 0.00 0.00 115 T 7.61 3.52 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 0.95 0.00 0.00 116 H 7.24 4.28 0.00 3.11 3.30 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.93 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 0.00 0.00 0.00 118 E 7.37 4.62 0.00 1.91 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 0.00 2.20 2.40 0.00 119 P 0.00 4.61 0.00 2.15 2.06 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 120 V 6.94 4.48 1.90 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 0.68 0.00 0.00 0.41 0.00 0.00 121 T 8.39 4.31 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 1.25 0.00 0.00 122 S 8.65 4.33 0.00 3.94 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 0.00 123 S 7.86 5.16 0.00 3.88 3.62 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 0.00 124 F 9.12 5.53 0.00 3.14 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 0.00 125 S 9.35 5.21 0.00 3.87 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 0.00 126 I 8.49 5.05 2.09 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.81 0.94 0.00 0.00 127 K 8.59 4.28 0.00 1.94 1.67 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.01 7.81 128 K 8.48 4.53 0.00 1.56 1.60 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.26 1.01 7.81 129 T 9.31 3.88 4.35 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 1.21 0.00 0.00 130 K 7.02 4.50 0.00 1.82 1.76 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.05 7.81 131 G 7.74 4.30 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 0.00 0.00 0.00 132 N 8.83 4.87 0.00 2.64 2.67 0.00 0.00 6.94 7.38 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 0.00 133 I 8.42 4.42 1.86 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 1.28 0.58 0.91 0.00 0.00 134 G 8.64 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 0.00 0.00 0.00 0.00 135 L 9.45 5.13 0.00 1.41 1.56 0.44 0.90 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 0.00 136 K 9.01 4.83 0.00 1.86 1.73 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.37 7.81 137 C 9.22 4.46 0.00 3.29 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 0.00 138 K 9.18 3.37 0.00 1.61 1.62 0.00 1.63 0.00 0.00 1.14 0.00 0.00 2.54 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.83 1.17 7.81 139 Y 8.10 4.17 0.00 2.97 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 0.00 140 C 8.03 4.25 0.00 3.18 3.27 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 0.00 141 E 8.06 3.98 0.00 2.17 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 2.21 2.40 0.00 142 K 7.49 4.30 0.00 1.71 1.37 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.55 7.81 143 T 7.87 4.95 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 1.19 0.00 0.00 144 F 8.88 5.12 0.00 2.99 2.83 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 0.00 145 S 9.15 4.70 0.00 3.90 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 0.00 146 K 9.08 4.04 0.00 1.70 1.85 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.34 7.81 147 D 8.40 4.38 0.00 2.64 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 0.00 148 I 7.65 3.63 2.04 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 1.47 0.34 0.80 0.00 0.00 149 V 7.30 3.48 1.69 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 0.08 0.00 0.00 0.63 0.00 0.00 150 T 7.73 3.58 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 1.19 0.00 0.00 151 E 7.66 4.12 0.00 1.89 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 2.43 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.