NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 S 4.2583 8.3301 116.7989 58.3221 63.8539 176.2209 15 A 4.3068 8.9610 135.0000 49.9060 19.4009 175.6754 16 S 4.6168 8.4616 118.2522 59.5136 63.9013 171.9050 17 S 4.8586 9.5580 121.6202 56.9399 67.0741 172.9903 18 S 5.2421 8.1186 115.6828 56.7250 66.7778 173.2338 19 W 5.5492 8.8144 122.2318 55.3467 33.8365 173.5769 20 Q 5.3117 9.6198 126.3076 54.3216 31.4766 174.2904 21 N 5.6872 9.3733 124.3025 50.4982 39.2281 175.9806 22 Q 4.0425 8.7341 118.0045 59.6985 28.4345 178.3341 23 S 4.4155 8.3556 112.8863 58.3646 62.9418 174.9338 24 G 4.0790 8.6463 111.3340 45.4110 0.0000 174.7799 25 S 4.4039 7.4844 114.9917 59.6531 64.2764 173.9268 26 T 5.2471 9.1520 116.7203 60.7191 71.1446 172.4053 27 M 5.0514 8.8630 123.2905 53.6392 35.4018 173.6860 28 I 5.1818 8.4643 120.8040 59.5664 40.6325 174.7025 29 I 5.0668 9.2211 119.7045 59.2217 41.3873 174.2717 30 Q 5.0722 9.3802 121.7466 54.2054 33.0028 174.7814 31 V 4.9910 8.2884 121.6857 60.8383 33.9143 174.6720 32 D 4.5926 9.0839 129.4778 53.0341 40.4169 177.4250 33 S 4.2160 8.5557 114.0141 59.1918 61.8803 174.0191 34 F 4.5846 8.2205 115.2755 57.2486 39.3608 176.3556 35 G 4.0391 9.3333 111.3368 44.7507 0.0000 172.7887 36 N 4.8481 9.2517 120.3913 53.2284 40.4244 173.7405 37 V 4.9543 8.6867 126.2850 61.1774 34.0310 174.4678 38 S 5.1271 8.9655 121.7588 56.7124 66.9869 174.2747 39 G 3.9138 7.6232 106.0995 46.3071 0.0000 171.4837 40 Q 4.9752 8.1316 118.4794 54.5362 33.7083 173.4361 41 Y 4.7155 9.3352 125.5385 55.8238 41.3160 174.2108 42 V 4.7487 8.6254 127.7486 61.4211 33.7614 173.7047 43 N 5.2483 9.1810 127.1491 51.9826 40.6050 175.1765 44 R 4.5014 8.8642 126.2154 55.7666 31.4806 175.0830 45 A 4.4099 8.2736 121.9561 50.9644 19.3423 177.9545 46 Q 3.8479 8.5886 124.3354 57.8469 29.4069 176.9465 47 G 3.9030 8.8991 112.3154 45.6855 0.0000 172.9227 48 T 4.3157 7.1065 109.4685 59.3214 70.5650 175.6158 49 G 3.6231 8.0873 112.4442 46.4426 0.0000 173.1225 50 C 4.6936 8.3031 111.9356 56.9575 36.9920 172.7583 51 Q 5.3074 7.3976 117.4427 54.5248 31.0621 176.1099 52 N 4.4155 9.0122 115.0973 53.9690 36.4638 174.1299 53 S 4.9138 7.7882 110.1772 55.6864 66.0482 171.9763 54 P 4.8046 0.0000 0.0000 63.0967 32.2595 174.8777 55 Y 4.6805 8.8913 120.7049 55.2556 40.7757 173.5720 56 P 4.7882 0.0000 0.0000 62.8275 32.3870 175.3772 57 L 5.0443 8.5659 124.6209 53.6022 45.3064 175.0159 58 T 5.0358 8.7323 118.9842 61.0570 71.6761 173.1301 59 G 4.2693 8.4078 111.4400 46.2437 0.0000 171.8473 60 R 5.4401 8.9001 117.8598 54.6198 34.2973 175.2952 61 V 4.9636 8.3989 115.8289 59.9738 35.2512 175.9215 62 N 4.6683 9.5041 122.2961 53.4517 41.3250 176.5251 63 G 3.9206 8.6272 119.5961 47.1237 0.0000 172.9546 64 T 4.2991 8.6249 115.2860 60.8816 69.4228 173.1281 65 F 5.3489 8.0370 121.9476 56.3012 41.3357 174.6733 66 I 5.2604 9.1023 122.2131 59.2746 41.7439 173.6870 67 A 5.3361 9.0331 129.4518 50.2600 22.3717 174.9123 68 F 5.4836 8.7561 115.5589 55.7115 42.1505 173.5069 69 S 5.3369 9.8291 115.6725 56.9637 67.1825 173.4704 70 V 4.5146 8.8793 123.2198 61.0497 34.4306 174.3148 71 G 3.8923 8.5222 116.0019 44.7531 0.0000 174.5261 72 W 4.4202 8.6880 129.4485 54.9726 27.0342 177.1499 73 N 5.2267 8.1987 116.4955 53.2906 39.7045 172.9833 74 N 4.8946 8.5837 123.0340 50.4923 39.4658 176.5738 75 S 4.2832 8.4633 113.0313 60.7580 63.1846 175.9207 76 T 4.0189 7.7286 118.3566 65.9428 68.3852 174.7554 77 E 4.5051 9.0161 123.4168 54.5684 32.0607 173.2516 78 N 5.3002 8.9441 125.4385 52.7730 39.6838 174.6844 79 C 4.6778 9.0771 123.7616 57.0777 39.3665 174.7956 80 N 4.0381 9.6370 114.1306 52.3599 35.4362 173.2103 81 S 5.2382 7.0702 118.5338 58.1858 65.7401 176.5847 82 A 5.1925 8.2737 121.4293 50.6574 22.8425 175.0823 83 T 4.9054 8.8689 116.9076 61.5614 72.1964 173.4081 84 G 4.4051 8.5365 112.2564 44.1963 0.0000 171.9134 85 W 5.4678 9.1269 124.0379 55.1540 32.5036 175.0196 86 T 4.9655 8.7181 118.5042 62.2987 72.6588 173.9547 87 G 4.4768 8.9342 110.3214 47.4139 0.0000 171.4086 88 Y 5.3939 7.9736 117.3997 55.8772 41.8541 173.6790 89 A 5.1862 8.6050 123.7220 50.9557 20.5951 176.4711 90 Q 4.6499 9.1298 119.8340 54.7279 33.1830 173.5092 91 V 4.7370 8.3842 118.2487 61.0040 33.3038 176.1205 92 N 4.8533 8.1734 125.9205 52.3865 38.7700 172.5951 *94 N 4.6532 7.3195 118.5662 51.4825 41.8588 173.2834 95 N 5.1880 7.4231 113.0693 50.7759 41.5990 173.5085 96 T 4.3903 8.3717 116.2518 64.1550 69.7399 173.0583 97 E 5.5010 9.7348 125.8568 54.8316 34.1924 173.7788 98 I 4.6843 9.2826 126.2954 59.6563 39.6964 174.5835 99 V 4.6040 8.3615 128.6292 61.5824 33.2892 174.8536 100 T 5.3302 8.7647 116.5072 60.5137 72.9733 172.6679 101 S 5.3093 9.2698 117.8044 56.6193 67.1131 173.2710 102 W 5.6110 8.6394 118.4345 55.0091 32.1629 173.4712 103 N 5.4745 8.9887 117.9395 51.5285 41.8293 173.0662 104 L 4.8962 9.4237 126.5920 53.5265 44.3030 174.8734 105 A 5.1187 9.0138 130.1092 50.7977 20.3740 175.2653 106 Y 5.0967 7.8702 119.1195 55.1947 42.5882 174.7381 107 E 4.2854 8.7954 120.9599 56.4506 29.7308 176.8774 108 G 4.3034 8.8578 117.1184 44.1362 0.0000 172.1351 109 G 3.8863 8.8113 107.8706 48.1625 0.0000 174.3702 110 S 4.5301 7.7693 116.4876 56.8548 62.6647 175.9442 111 G 4.1789 8.0263 113.8525 44.4494 0.0000 168.4884 112 P 4.4096 0.0000 0.0000 63.2057 31.7797 175.0353 113 A 4.6922 8.4395 128.7598 51.4167 22.4956 174.7843 114 I 4.1970 7.6249 113.6124 61.2080 40.3777 173.9790 115 E 4.6914 9.6808 129.5762 54.9709 31.7467 174.7525 116 Q 4.7357 7.9695 122.6648 54.4298 32.2802 174.5504 117 G 2.8952 6.5673 106.9606 45.4242 0.0000 171.9430 118 Q 4.9827 8.2886 116.9828 54.4762 31.3715 174.4484 119 D 5.3626 9.0528 121.7924 52.9976 44.4198 175.5925 120 T 4.9391 9.8176 118.4396 62.1067 72.2192 172.8397 121 F 5.1417 9.7095 126.3532 56.1506 41.4715 174.9516 122 Q 5.0611 9.3298 122.7247 53.9845 31.0884 174.2450 123 Y 3.6194 8.8275 126.0978 57.8115 39.3012 175.7054 124 V 3.7795 7.6135 128.9994 60.6695 31.9847 173.6863 125 P 3.8671 0.0000 0.0000 61.4990 32.2942 176.0436 126 T 3.6730 8.2870 116.1289 62.8151 67.5802 173.4658 127 T 3.9358 8.2679 125.3267 63.2971 69.1775 173.8042 128 E 4.3210 8.5634 126.7207 54.7905 29.6228 174.4306 129 N 4.9541 8.3075 124.5275 51.2446 41.4538 174.1466 130 K 4.3429 8.0043 121.0901 56.3076 33.7956 177.6080 131 S 4.2000 8.4697 117.2722 61.5944 63.3911 175.4571 132 L 4.4721 7.5258 116.5042 54.9171 43.2095 173.5294 *134 K 4.0689 8.1820 118.8428 57.3521 32.3933 175.5356 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 14 S 8.33 4.26 0.00 3.94 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 15 A 8.96 4.31 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 16 S 8.46 4.62 0.00 3.91 3.81 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 17 S 9.56 4.86 0.00 3.95 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 18 S 8.12 5.24 0.00 3.59 3.55 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 0.00 0.00 0.00 0.00 19 W 8.81 5.55 0.00 3.16 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 20 Q 9.62 5.31 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.60 0.00 21 N 9.37 5.69 0.00 2.24 1.42 0.00 0.00 6.55 7.41 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 22 Q 8.73 4.04 0.00 2.19 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.24 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 23 S 8.36 4.42 0.00 4.12 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 24 G 8.65 4.08 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 0.00 25 S 7.48 4.40 0.00 4.06 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 26 T 9.15 5.25 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 1.12 0.00 0.00 27 M 8.86 5.05 0.00 1.51 1.78 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 28 I 8.46 5.18 1.83 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 1.24 0.64 0.94 0.00 0.00 29 I 9.22 5.07 1.74 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.53 0.00 0.00 30 Q 9.38 5.07 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 31 V 8.29 4.99 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 0.88 0.00 0.00 0.92 0.00 0.00 32 D 9.08 4.59 0.00 3.17 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 33 S 8.56 4.22 0.00 3.62 3.29 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 34 F 8.22 4.58 0.00 3.16 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 35 G 9.33 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 36 N 9.25 4.85 0.00 2.96 2.89 0.00 0.00 6.62 7.63 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 37 V 8.69 4.95 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 0.82 0.00 0.00 0.96 0.00 0.00 38 S 8.97 5.13 0.00 3.88 3.89 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 39 G 7.62 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 40 Q 8.13 4.98 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 41 Y 9.34 4.72 0.00 2.96 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 42 V 8.63 4.75 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 0.94 0.00 0.00 0.96 0.00 0.00 43 N 9.18 5.25 0.00 3.38 2.99 0.00 0.00 6.94 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 44 R 8.86 4.50 0.00 1.79 1.87 0.00 3.40 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.56 0.00 45 A 8.27 4.41 1.30 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 46 Q 8.59 3.85 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.83 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 47 G 8.90 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 0.00 0.00 0.00 48 T 7.11 4.32 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 0.99 0.00 0.00 49 G 8.09 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 0.00 0.00 0.00 50 C 8.30 4.69 0.00 2.65 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 51 Q 7.40 5.31 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.89 6.26 0.00 0.00 0.00 0.00 0.00 2.52 2.23 0.00 52 N 9.01 4.42 0.00 2.89 2.91 0.00 0.00 6.71 7.57 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 53 S 7.79 4.91 0.00 3.78 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 54 P 0.00 4.80 0.00 2.31 2.09 0.00 3.62 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 55 Y 8.89 4.68 0.00 2.99 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 56 P 0.00 4.79 0.00 1.94 1.99 0.00 3.69 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 2.04 2.08 0.00 57 L 8.57 5.04 0.00 1.69 1.49 0.51 0.21 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 58 T 8.73 5.04 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 59 G 8.41 4.27 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 0.00 60 R 8.90 5.44 0.00 1.73 1.82 0.00 3.28 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 61 V 8.40 4.96 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 0.64 0.00 0.00 0.94 0.00 0.00 62 N 9.50 4.67 0.00 2.79 2.79 0.00 0.00 7.37 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 63 G 8.63 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 0.00 0.00 0.00 64 T 8.62 4.30 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 1.10 0.00 0.00 65 F 8.04 5.35 0.00 3.27 3.06 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 66 I 9.10 5.26 1.87 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 2.03 0.99 0.00 0.00 67 A 9.03 5.34 1.25 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 0.00 0.00 0.00 68 F 8.76 5.48 0.00 3.09 3.07 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 0.00 0.00 0.00 69 S 9.83 5.34 0.00 3.75 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 70 V 8.88 4.51 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 -0.69 0.00 0.00 0.71 0.00 0.00 71 G 8.52 3.89 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 0.00 72 W 8.69 4.42 0.00 3.35 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 73 N 8.20 5.23 0.00 2.79 2.82 0.00 0.00 7.24 7.79 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 74 N 8.58 4.89 0.00 2.77 2.60 0.00 0.00 5.89 8.11 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 75 S 8.46 4.28 0.00 4.00 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 76 T 7.73 4.02 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 1.22 0.00 0.00 77 E 9.02 4.51 0.00 2.06 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 2.30 2.31 0.00 78 N 8.94 5.30 0.00 2.98 2.79 0.00 0.00 7.19 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 79 C 9.08 4.68 0.00 2.95 2.98 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 80 N 9.64 4.04 0.00 2.71 2.97 0.00 0.00 6.67 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 81 S 7.07 5.24 0.00 4.18 4.16 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 0.00 0.00 0.00 82 A 8.27 5.19 1.22 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 0.00 0.00 83 T 8.87 4.91 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 -0.54 0.00 0.00 84 G 8.54 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 0.00 0.00 0.00 0.00 85 W 9.13 5.47 0.00 1.80 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 86 T 8.72 4.97 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 1.35 0.00 0.00 87 G 8.93 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 88 Y 7.97 5.39 0.00 2.73 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 89 A 8.61 5.19 1.18 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 0.00 0.00 0.00 90 Q 9.13 4.65 0.00 2.18 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 91 V 8.38 4.74 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 0.86 0.00 0.00 0.97 0.00 0.00 92 N 8.17 4.85 0.00 2.78 2.98 0.00 0.00 7.18 7.67 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 *94 N 7.32 4.65 0.00 2.77 2.78 0.00 0.00 7.14 7.79 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 95 N 7.42 5.19 0.00 2.86 2.94 0.00 0.00 6.01 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 96 T 8.37 4.39 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 1.42 0.00 0.00 97 E 9.73 5.50 0.00 2.11 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 2.29 2.53 0.00 98 I 9.28 4.68 1.88 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 0.62 -0.22 0.87 0.00 0.00 99 V 8.36 4.60 1.11 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 1.02 0.00 0.00 0.84 0.00 0.00 100 T 8.76 5.33 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 1.50 0.00 0.00 101 S 9.27 5.31 0.00 3.75 3.65 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 0.00 0.00 0.00 0.00 102 W 8.64 5.61 0.00 2.64 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 0.00 103 N 8.99 5.47 0.00 2.62 2.72 0.00 0.00 6.78 6.02 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 0.00 104 L 9.42 4.90 0.00 1.85 1.90 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 105 A 9.01 5.12 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 0.00 106 Y 7.87 5.10 0.00 3.08 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 0.00 107 E 8.80 4.29 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 2.35 2.36 0.00 108 G 8.86 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 0.00 109 G 8.81 3.89 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 0.00 110 S 7.77 4.53 0.00 3.84 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 0.00 111 G 8.03 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 0.00 0.00 0.00 0.00 112 P 0.00 4.41 0.00 2.00 1.99 0.00 3.61 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 113 A 8.44 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.62 4.20 1.81 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 1.18 0.22 0.90 0.00 0.00 115 E 9.68 4.69 0.00 2.42 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 2.27 2.33 0.00 116 Q 7.97 4.74 0.00 1.70 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.21 0.00 117 G 6.57 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 0.00 0.00 0.00 118 Q 8.29 4.98 0.00 2.18 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.43 0.00 119 D 9.05 5.36 0.00 3.30 2.37 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 0.00 120 T 9.82 4.94 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 0.00 121 F 9.71 5.14 0.00 3.07 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 0.00 122 Q 9.33 5.06 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 123 Y 8.83 3.62 0.00 1.95 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 0.00 124 V 7.61 3.78 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 0.59 0.00 0.00 0.82 0.00 0.00 125 P 0.00 3.87 0.00 2.08 2.01 0.00 3.33 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.95 0.00 126 T 8.29 3.67 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 1.15 0.00 0.00 127 T 8.27 3.94 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 1.17 0.00 0.00 128 E 8.56 4.32 0.00 1.86 1.85 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 2.19 2.31 0.00 129 N 8.31 4.95 0.00 2.67 2.64 0.00 0.00 7.25 6.68 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 0.00 130 K 8.00 4.34 0.00 1.93 1.78 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.39 7.81 131 S 8.47 4.20 0.00 3.87 3.94 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 0.00 132 L 7.53 4.47 0.00 1.84 1.86 0.91 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 *134 K 8.18 4.07 0.00 1.79 1.80 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.