NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 S 4.4730 8.3349 117.0961 57.0328 63.8389 173.6115 17 P 4.8944 0.0000 0.0000 58.9600 31.9851 175.1991 18 N 4.6852 8.7510 121.1713 52.1873 40.8220 175.6357 19 A 3.9544 8.4138 120.9277 55.2436 18.3603 179.5640 20 A 3.9370 7.9908 118.9053 55.2344 18.5020 179.8994 21 V 3.2077 8.4462 117.2086 66.0715 31.5790 178.3065 22 Q 3.9425 8.1610 117.8675 59.0833 28.4509 179.0005 23 S 4.2221 8.2004 116.3716 61.3098 62.7188 176.9492 24 G 3.5727 7.7927 108.5745 47.7149 0.0000 175.5315 25 L 4.0812 7.5978 123.0737 57.7136 42.0248 178.6817 26 Q 3.9632 8.1213 119.5763 59.3120 28.9057 178.1003 27 E 3.9355 8.4741 120.3886 58.8548 29.5903 178.2932 28 W 4.2450 8.6728 128.8165 61.0826 30.7353 177.5844 29 H 4.1723 8.5820 116.0070 58.8351 28.1383 177.8181 30 R 3.7683 8.0029 120.3991 59.4034 29.9674 178.5407 31 I 3.2878 7.7229 119.8435 64.2588 36.8462 178.5088 32 I 2.6232 7.2205 120.4209 63.9533 36.6163 178.3220 33 A 3.8397 7.5356 120.2029 54.8329 18.2941 178.6064 34 E 3.9062 7.8504 115.1243 55.4591 30.2900 175.6350 35 A 2.5800 6.4958 120.0078 53.3429 17.1329 178.4710 36 D 4.3142 6.7243 118.8269 54.0836 37.9462 175.7792 37 W 4.4107 6.9742 122.5284 59.6048 29.4966 177.9464 38 E 4.1262 8.2250 117.2903 58.6139 28.9388 178.2246 39 R 4.3515 7.8245 116.8372 56.5127 30.4765 178.1092 40 L 4.1783 7.8332 121.6147 57.6235 42.1334 176.7449 41 P 4.2509 0.0000 0.0000 65.8554 31.0403 178.1346 42 D 4.4453 7.5070 116.8618 56.9437 40.9341 177.9177 43 L 4.3125 8.2238 119.9128 55.1967 42.4217 175.9337 44 L 4.6853 7.1528 118.4391 53.3680 43.2275 176.5196 45 A 4.2132 8.6535 125.9759 51.8338 19.1293 178.4140 46 E 4.0049 8.9284 121.5839 58.8077 29.8736 177.6078 47 D 5.3389 7.8077 116.9423 52.6085 40.4228 177.2284 48 V 3.8452 7.5948 118.5451 63.6960 32.4513 174.7143 49 V 4.7379 8.6070 123.4484 61.1253 33.8932 173.9158 50 F 5.5057 9.2146 129.9921 56.6429 42.3504 173.5952 51 S 4.7990 8.9142 123.2731 56.6987 64.7148 173.8668 52 N 4.7426 8.0882 122.8670 50.6890 38.7551 173.5867 53 P 4.5024 0.0000 0.0000 64.1493 31.7935 176.8882 54 S 4.7250 8.7909 112.7839 58.1418 64.6375 174.1788 55 T 4.7340 7.8032 109.8038 59.5475 71.6618 173.6949 56 F 4.0791 9.0051 126.2585 61.3770 39.7268 175.6695 57 D 4.3441 7.9572 119.3669 53.6802 41.0262 174.5789 58 P 4.4456 0.0000 0.0000 62.7368 32.3169 175.5151 59 Y 4.6211 8.9746 120.2320 57.4717 40.0904 174.3485 60 H 5.2097 9.1138 118.1813 55.4043 32.0856 174.2078 61 G 4.2394 9.3342 108.8495 44.8166 0.0000 173.8813 62 K 4.0821 8.6377 118.0681 59.1784 32.3304 179.8284 63 G 3.7458 8.1753 106.8440 48.3808 0.0000 172.7811 64 P 4.2170 0.0000 0.0000 64.7810 31.6535 179.2597 65 L 3.5755 7.3541 117.1368 55.3357 41.8603 178.6972 *67 V 3.8640 7.9657 117.9773 62.4515 33.3352 177.4951 68 I 3.6704 7.6675 120.2384 64.0078 37.1026 178.1145 69 L 3.8381 7.6623 121.3466 57.6916 41.8757 177.2764 70 P 2.9700 0.0000 0.0000 64.7936 30.8212 178.4697 71 A 3.8831 6.8638 117.1809 54.8733 18.5619 179.5017 72 V 3.6190 7.7611 116.7532 66.3464 31.6589 178.3623 73 F 3.8670 8.1278 117.6462 60.3647 38.4865 177.7979 74 S 4.2707 8.1497 113.1489 61.1242 62.7240 176.2024 75 V 3.8898 7.4299 120.5189 63.7438 31.6618 176.2246 76 L 4.2472 7.2095 118.7872 54.3724 42.2994 176.0684 77 E 4.7293 9.1840 123.2867 55.6320 31.7879 175.5005 78 N 4.3340 8.8643 116.2856 53.9190 36.3403 174.5237 79 F 4.2686 8.4748 119.6695 58.8970 40.2031 174.1869 80 Q 4.5217 8.4217 124.7736 54.1492 32.3783 174.4588 81 Y 4.9704 8.8270 121.8260 57.2893 39.0391 174.3335 82 A 4.8481 9.2445 123.6129 52.2373 21.0720 180.1524 83 R 4.1912 8.8628 119.9691 58.6664 31.0278 174.1408 84 H 5.6005 7.8508 116.6261 54.1985 32.0872 172.3659 85 F 5.1588 9.3350 117.2970 56.2589 43.6705 173.6275 86 S 5.2720 8.8292 114.7698 57.0452 65.9895 172.9279 87 S 4.8023 8.6751 117.4717 57.0222 65.8720 175.2803 88 K 4.2035 8.5597 120.0383 57.0528 31.6836 173.8724 89 S 4.6978 7.3291 110.0035 57.7829 64.1553 173.3927 90 G 4.0900 7.2500 109.2735 45.8549 0.0000 171.4773 91 Y 5.3725 8.5716 115.4354 56.5565 43.1881 174.6983 92 V 4.9215 9.0686 120.7878 61.2630 34.8058 174.2211 93 L 5.1467 9.1197 128.2868 52.8236 43.8761 175.6882 94 E 4.8228 9.5499 126.7050 56.3307 31.0507 175.5060 95 F 5.4120 8.9252 119.2973 55.5924 42.0275 172.7327 96 N 5.4799 8.7043 116.6746 51.9428 42.0125 173.5406 97 A 4.9882 8.4519 122.3608 51.7358 23.5324 173.9537 98 N 5.1851 8.1861 117.5744 50.3180 40.7784 172.6488 *100 G 4.5291 8.7642 106.6587 46.0225 0.0000 172.5492 101 D 4.6865 8.8668 125.1918 52.9578 39.4551 175.5585 102 E 4.5072 7.9295 120.3644 55.2023 30.4172 175.1279 103 L 4.7861 8.3086 124.3334 54.2463 43.1975 176.0190 104 L 5.0159 8.9577 121.3782 54.8230 44.4261 174.4465 105 T 4.9068 8.3894 109.4691 60.3741 72.3080 172.5614 106 G 3.4758 7.6676 107.9431 45.6644 0.0000 172.3455 107 V 5.2209 7.8762 111.2639 59.6621 36.3542 174.7264 108 D 5.4430 9.6025 124.0080 52.8855 43.0108 175.0125 109 L 5.0225 9.1778 127.1376 53.6853 44.0409 175.1626 110 I 4.7982 8.9393 126.9413 59.5293 40.7296 174.1621 111 E 4.9701 9.0087 126.6383 54.5382 32.2881 175.1214 112 F 5.4169 9.1522 121.9968 55.7150 42.5352 175.1102 113 N 4.8239 9.2096 119.9616 51.5860 38.9222 175.8108 114 D 4.3153 8.5456 116.9496 57.0776 40.8571 177.5279 115 A 4.1879 8.1671 119.7169 52.2869 18.4844 177.5120 116 G 3.9616 8.3259 104.1686 46.2819 0.0000 173.8993 117 K 4.8916 8.4180 118.4523 54.1729 34.3970 175.6750 118 I 4.0353 8.6153 123.9429 61.5078 37.5862 176.7009 119 T 4.3132 8.9182 117.6057 62.6065 71.0957 174.4313 120 D 5.2798 7.6162 121.0809 52.5961 45.7507 174.0985 121 L 5.0898 9.1716 124.5604 53.3155 45.5564 174.9976 122 V 4.8601 8.9742 126.3981 61.1225 34.1721 174.4673 123 V 5.5338 8.6989 126.8034 60.0610 34.8603 174.7798 *126 R 4.1270 8.2878 119.3568 55.0788 30.5054 173.3885 127 P 4.6540 0.0000 0.0000 62.1185 32.6825 176.8919 128 A 4.0135 8.7690 122.1220 55.6733 18.2408 180.2499 129 S 4.0957 8.0732 112.0496 61.7553 62.9524 176.8795 130 V 3.6215 7.6788 121.5830 65.6419 31.2009 178.2135 131 V 3.7048 7.6867 117.6561 65.8301 31.1820 177.8233 132 I 3.6984 7.8483 119.6372 64.5399 36.8611 178.0908 133 D 4.3716 7.9497 119.0892 57.3472 40.6024 178.5417 134 L 3.9695 8.4066 121.1811 58.4414 42.0217 179.2838 135 S 4.1398 8.3677 115.1661 61.2381 62.6596 176.7815 136 V 3.5848 7.5399 121.0220 66.1088 31.3275 177.9743 137 E 3.9599 7.8953 118.3488 59.4347 29.2242 179.4889 138 V 3.6890 8.2294 118.7962 65.8898 31.5546 178.2574 139 G 3.6145 8.2637 105.4877 47.8506 0.0000 175.8513 140 K 4.0404 7.9142 120.6297 59.1813 32.0080 179.7730 141 R 3.9076 8.1417 118.4272 59.1164 29.7360 179.0733 142 I 3.6240 7.8211 118.7889 64.3667 37.3053 177.9772 143 A 4.1064 8.1160 121.2711 55.0638 18.1403 179.5397 144 A 3.9040 8.2929 119.2497 55.3123 18.2949 179.7553 145 A 3.9468 8.0175 117.8571 54.6281 18.4802 178.8188 146 Q 4.3252 7.4979 114.1647 56.2778 29.3964 175.9925 147 S 4.3504 7.9494 121.6284 58.6681 63.0069 173.8753 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 16 S 8.33 4.47 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 17 P 0.00 4.89 0.00 2.11 1.87 0.00 3.71 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.96 0.00 18 N 8.75 4.69 0.00 2.98 2.97 0.00 0.00 5.96 7.00 0.00 0.00 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 A 8.41 3.95 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 20 A 7.99 3.94 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 21 V 8.45 3.21 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 0.80 0.00 0.00 1.03 0.00 0.00 22 Q 8.16 3.94 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 23 S 8.20 4.22 0.00 4.00 3.90 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 24 G 7.79 3.57 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 0.00 0.00 0.00 25 L 7.60 4.08 0.00 1.34 1.58 0.54 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.12 3.96 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 27 E 8.47 3.94 0.00 2.15 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 2.37 2.42 0.00 28 W 8.67 4.24 0.00 3.62 3.37 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 29 H 8.58 4.17 0.00 3.41 3.33 0.00 5.67 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 30 R 8.00 3.77 0.00 1.85 1.99 0.00 3.03 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 31 I 7.72 3.29 1.62 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 1.31 0.70 0.42 0.00 0.00 32 I 7.22 2.62 1.44 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 -0.04 0.24 0.00 0.00 33 A 7.54 3.84 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 34 E 7.85 3.91 0.00 1.78 1.67 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 2.07 2.16 0.00 35 A 6.50 2.58 1.08 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 0.00 0.00 0.00 0.00 0.00 36 D 6.72 4.31 0.00 2.51 2.24 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 37 W 6.97 4.41 0.00 3.40 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 38 E 8.23 4.13 0.00 2.18 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 2.31 1.97 0.00 39 R 7.82 4.35 0.00 1.90 1.92 0.00 3.26 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.91 0.00 40 L 7.83 4.18 0.00 1.90 1.89 1.12 1.16 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 41 P 0.00 4.25 0.00 2.21 2.11 0.00 3.81 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 42 D 7.51 4.45 0.00 2.89 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 43 L 8.22 4.31 0.00 1.84 1.96 1.25 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.15 4.69 0.00 1.72 1.58 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.65 4.21 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 46 E 8.93 4.00 0.00 2.07 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 2.39 2.39 0.00 47 D 7.81 5.34 0.00 2.75 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 48 V 7.59 3.85 2.30 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 0.84 0.00 0.00 0.93 0.00 0.00 49 V 8.61 4.74 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 0.86 0.00 0.00 0.92 0.00 0.00 50 F 9.21 5.51 0.00 3.05 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 51 S 8.91 4.80 0.00 3.62 3.52 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 52 N 8.09 4.74 0.00 2.56 2.17 0.00 0.00 6.33 7.75 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 53 P 0.00 4.50 0.00 2.21 2.26 0.00 3.46 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 2.03 2.14 0.00 54 S 8.79 4.73 0.00 3.94 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 55 T 7.80 4.73 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 1.26 0.00 0.00 56 F 9.01 4.08 0.00 2.99 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 57 D 7.96 4.34 0.00 2.52 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 58 P 0.00 4.45 0.00 1.77 1.81 0.00 3.53 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 59 Y 8.97 4.62 0.00 3.04 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 60 H 9.11 5.21 0.00 3.03 3.21 0.00 5.66 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 61 G 9.33 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 0.00 0.00 0.00 0.00 62 K 8.64 4.08 0.00 1.84 1.86 0.00 1.70 0.00 0.00 1.84 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.45 7.81 63 G 8.18 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 64 P 0.00 4.22 0.00 2.20 1.94 0.00 3.87 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 2.28 2.16 0.00 65 L 7.35 3.58 0.00 1.63 1.63 0.83 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 *67 V 7.97 3.86 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 0.86 0.00 0.00 0.93 0.00 0.00 68 I 7.67 3.67 1.94 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.40 1.06 0.00 0.00 69 L 7.66 3.84 0.00 1.31 1.32 1.17 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 2.97 0.00 1.57 0.49 0.00 3.38 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.88 0.00 71 A 6.86 3.88 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 72 V 7.76 3.62 2.15 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 0.83 0.00 0.00 0.99 0.00 0.00 73 F 8.13 3.87 0.00 3.09 3.15 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 74 S 8.15 4.27 0.00 4.06 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 0.00 75 V 7.43 3.89 2.19 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 0.87 0.00 0.00 0.93 0.00 0.00 76 L 7.21 4.25 0.00 1.82 1.72 0.60 1.15 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 77 E 9.18 4.73 0.00 2.12 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 2.26 2.45 0.00 78 N 8.86 4.33 0.00 3.02 2.90 0.00 0.00 6.90 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 79 F 8.47 4.27 0.00 3.06 2.96 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 0.00 0.00 0.00 80 Q 8.42 4.52 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.55 0.00 81 Y 8.83 4.97 0.00 3.06 2.96 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 0.00 0.00 0.00 82 A 9.24 4.85 1.01 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 83 R 8.86 4.19 0.00 2.08 1.62 0.00 3.18 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 84 H 7.85 5.60 0.00 3.08 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 F 9.34 5.16 0.00 3.04 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 86 S 8.83 5.27 0.00 3.62 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 87 S 8.68 4.80 0.00 3.88 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 88 K 8.56 4.20 0.00 1.71 1.86 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.00 7.81 89 S 7.33 4.70 0.00 4.15 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 90 G 7.25 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 0.00 0.00 0.00 0.00 91 Y 8.57 5.37 0.00 2.90 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 92 V 9.07 4.92 2.24 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 1.08 0.00 0.00 0.97 0.00 0.00 93 L 9.12 5.15 0.00 1.86 1.43 0.56 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 94 E 9.55 4.82 0.00 2.25 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 0.00 2.32 2.33 0.00 95 F 8.93 5.41 0.00 2.22 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 96 N 8.70 5.48 0.00 2.58 2.70 0.00 0.00 7.03 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 97 A 8.45 4.99 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 98 N 8.19 5.19 0.00 2.86 2.81 0.00 0.00 6.76 6.25 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 *100 G 8.76 4.53 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 0.00 0.00 0.00 101 D 8.87 4.69 0.00 2.80 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 0.00 102 E 7.93 4.51 0.00 2.06 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 2.33 2.31 0.00 103 L 8.31 4.79 0.00 1.54 1.60 0.93 0.98 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 L 8.96 5.02 0.00 1.87 1.74 1.11 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.39 4.91 4.21 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 1.23 0.00 0.00 106 G 7.67 3.48 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 0.00 107 V 7.88 5.22 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 0.99 0.00 0.00 0.96 0.00 0.00 108 D 9.60 5.44 0.00 3.01 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 0.00 109 L 9.18 5.02 0.00 1.71 1.56 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 110 I 8.94 4.80 1.76 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.36 0.06 0.00 0.00 111 E 9.01 4.97 0.00 1.89 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 2.18 2.36 0.00 112 F 9.15 5.42 0.00 2.93 2.93 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 0.00 113 N 9.21 4.82 0.00 2.93 3.01 0.00 0.00 7.12 8.10 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 0.00 114 D 8.55 4.32 0.00 2.71 2.79 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 0.00 115 A 8.17 4.19 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 0.00 116 G 8.33 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 117 K 8.42 4.89 0.00 1.93 1.92 0.00 1.95 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.57 7.81 118 I 8.62 4.04 1.74 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 0.12 0.50 0.68 0.00 0.00 119 T 8.92 4.31 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 1.27 0.00 0.00 120 D 7.62 5.28 0.00 2.57 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 9.17 5.09 0.00 1.64 1.63 0.90 0.95 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 0.00 122 V 8.97 4.86 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 0.78 0.00 0.00 0.89 0.00 0.00 123 V 8.70 5.53 2.24 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 1.31 0.00 0.00 1.35 0.00 0.00 *126 R 8.29 4.13 0.00 2.04 2.06 0.00 2.98 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 127 P 0.00 4.65 0.00 2.24 2.21 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 128 A 8.77 4.01 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 0.00 129 S 8.07 4.10 0.00 4.06 4.15 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 0.00 130 V 7.68 3.62 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 0.94 0.00 0.00 131 V 7.69 3.70 2.24 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 1.11 0.00 0.00 0.99 0.00 0.00 132 I 7.85 3.70 2.05 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 1.76 0.83 0.92 0.00 0.00 133 D 7.95 4.37 0.00 2.91 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 0.00 134 L 8.41 3.97 0.00 1.74 1.93 0.94 1.02 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 0.00 135 S 8.37 4.14 0.00 4.05 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 0.00 136 V 7.54 3.58 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 1.04 0.00 0.00 0.97 0.00 0.00 137 E 7.90 3.96 0.00 2.11 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 2.53 2.47 0.00 138 V 8.23 3.69 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 0.99 0.00 0.00 139 G 8.26 3.61 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 0.00 0.00 0.00 140 K 7.91 4.04 0.00 1.94 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 141 R 8.14 3.91 0.00 1.96 1.95 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.92 0.00 142 I 7.82 3.62 2.00 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 1.38 0.55 0.87 0.00 0.00 143 A 8.12 4.11 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 0.00 144 A 8.29 3.90 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 0.00 145 A 8.02 3.95 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 0.00 146 Q 7.50 4.33 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 147 S 7.95 4.35 0.00 4.00 3.76 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.