NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 I 4.1661 7.8833 114.2703 60.3529 39.4481 176.7955 11 V 3.4381 8.1306 116.4298 64.7726 31.4959 175.8433 12 D 4.4837 8.4108 118.5052 57.4544 41.4387 178.0589 13 K 4.0005 8.1179 116.0948 57.6141 31.4127 177.0775 *15 E 4.8615 8.0469 114.7618 55.9272 30.8058 176.2312 16 R 4.4687 7.5901 113.5723 56.0836 29.9669 177.5019 17 F 4.3478 8.2384 120.8310 60.3130 39.5499 176.4805 18 L 3.9487 7.7603 119.6227 57.6427 42.0384 178.7725 19 S 4.2072 8.4016 114.5457 61.1279 62.9448 175.4023 20 T 4.3498 7.3009 113.5323 63.4843 70.8462 174.3202 21 A 4.3012 7.3687 121.9111 52.0746 18.9052 177.7919 22 N 4.7278 8.5544 121.1975 52.0286 40.8039 175.1312 23 E 3.9194 8.7192 118.6647 60.1072 29.4315 179.0243 24 E 3.9609 8.1691 116.9028 59.7471 29.2568 178.9362 25 E 4.1733 8.7171 119.6237 59.3884 29.5040 179.4137 26 K 4.1578 7.8964 117.9722 59.3631 32.3290 179.1378 27 D 4.4916 8.4403 119.3002 56.7835 40.7201 178.9589 28 V 3.6956 8.3701 119.7365 65.7185 31.5948 177.8434 29 L 3.9804 7.8560 120.0677 57.9379 41.9415 178.8551 30 S 4.0986 8.2369 113.1562 61.7012 62.4308 176.3906 31 S 4.9619 7.8722 118.5902 61.1100 62.4874 176.8500 32 I 3.7484 7.8543 122.8329 64.4418 36.9123 178.9435 33 V 3.7576 7.9139 119.8050 64.8573 31.1639 177.7329 34 D 4.4317 8.2982 120.1735 56.9105 40.6586 178.4040 35 G 4.0720 8.4366 105.8785 48.2398 0.0000 175.1926 36 L 4.0764 7.9829 121.3205 57.5446 41.7272 179.3197 37 L 3.9654 7.8933 118.5362 58.1458 41.5680 179.5648 38 A 4.0809 8.1454 120.2275 55.1590 18.3766 179.4369 39 K 3.8309 8.6106 118.3370 59.7465 32.0562 179.1204 40 Q 4.1243 8.1604 118.3400 58.8513 28.4406 179.0434 41 E 4.3121 7.9413 115.9943 56.1583 29.4963 176.8676 42 R 3.9356 8.5169 115.7662 55.8938 28.5452 179.0107 43 R 3.7095 7.9573 118.9057 58.4299 30.1137 176.0204 44 Y 4.9685 6.9407 110.3665 56.2614 41.8018 174.6205 45 A 4.4868 8.7201 122.2457 53.3009 20.4794 177.4868 46 T 4.6675 7.3434 104.3955 59.5568 73.3437 174.5324 47 Y 4.2265 8.3306 119.9090 60.1144 37.9972 177.9909 48 L 3.9271 8.1616 120.9972 58.4530 42.1175 178.9503 49 A 3.8274 8.0182 120.2694 55.4327 18.0713 179.0236 50 S 3.7342 7.6143 113.5904 61.8062 62.6186 176.7553 51 L 4.0269 8.2191 123.3218 58.1564 41.6325 179.4861 52 T 3.9262 7.4044 112.0211 63.4151 67.3753 174.7819 53 Q 3.7338 7.8716 117.5239 56.3779 26.3338 173.4681 54 I 4.2618 7.5147 110.8361 61.1733 38.6414 174.9387 55 E 4.8687 9.2049 124.0148 54.8253 33.2599 175.0749 56 S 5.0926 8.6722 118.9208 56.3227 66.2910 174.1303 *61 D 4.5621 8.4570 118.7081 54.5865 39.3622 176.3701 62 G 4.0928 7.8700 104.8644 45.4271 0.0000 174.3982 63 R 4.2902 7.9270 113.2198 56.6345 31.1908 175.2507 64 F 4.8748 7.9161 118.1158 56.2756 39.0875 174.1599 65 E 5.5300 8.3229 118.1793 56.5301 31.8169 175.3948 66 V 4.3988 8.5229 124.9500 62.0156 33.9148 174.3740 67 R 5.2080 8.7821 125.1295 54.6015 33.7110 173.4949 68 L 5.1942 9.0937 127.9725 52.3225 45.2410 173.4346 69 P 4.7533 0.0000 0.0000 62.9246 31.8494 177.5786 70 I 4.0773 8.6574 127.1031 60.9274 35.0873 175.6152 71 G 4.2037 7.8281 115.7209 43.0257 0.0000 169.8730 72 P 4.3407 0.0000 0.0000 64.9775 31.4345 178.1935 73 L 4.1257 7.9295 118.3242 56.4354 42.2553 176.8797 74 V 4.3163 7.7021 115.4926 62.9936 33.0842 174.9552 75 N 4.9644 7.5919 116.0194 53.0351 39.5008 173.4768 76 N 4.9698 8.0808 116.7647 50.4152 39.8201 174.4640 77 P 4.4790 0.0000 0.0000 63.3271 30.6290 177.1172 78 L 4.6132 8.6288 115.5170 53.9643 44.3201 175.7343 79 N 3.9557 7.9811 114.6054 53.6247 34.5339 173.9576 *81 V 3.9904 7.2244 116.4469 62.5042 33.3183 174.1765 82 H 4.2068 8.9473 126.9153 55.6926 30.2200 176.2253 83 G 3.6441 8.7837 114.1089 47.8900 0.0000 175.3330 84 G 3.7154 8.5845 107.1956 48.1644 0.0000 175.5695 85 I 3.7517 7.7770 122.4728 63.9970 37.0525 178.4971 86 T 3.9132 8.1478 116.3791 66.7454 68.3770 176.4657 87 A 4.0346 8.5323 122.8864 55.5549 18.2775 179.8473 88 T 4.0002 8.1230 114.3359 66.4017 68.4399 176.8239 89 L 3.9317 8.2228 122.7669 58.0506 42.0064 178.5499 90 L 3.9405 7.9221 119.1475 58.4501 41.8423 178.2440 91 D 4.5798 8.7402 117.9404 57.4842 40.9720 178.5250 92 T 4.0375 7.7378 116.2017 66.3397 68.3387 176.5741 93 A 4.2595 7.7620 117.7369 53.5962 18.3591 178.1713 *95 G 3.8732 8.1639 108.5469 46.2126 0.0000 175.0397 96 Q 4.2112 7.6846 119.3116 55.5144 28.6789 177.6149 *98 V 3.7720 7.6691 119.0045 63.8636 33.3210 176.5883 99 N 4.3314 7.7007 117.1991 56.3733 38.6662 177.4422 100 R 4.0478 7.6803 116.3595 59.4440 30.2103 177.5893 101 Q 4.4428 7.5313 115.8100 55.9648 28.7981 175.9061 102 L 4.7527 7.3876 115.6925 52.1462 45.9907 175.1719 103 P 4.4152 0.0000 0.0000 62.5567 31.9366 176.9764 104 D 4.5631 8.8526 120.6808 57.5285 40.7546 178.3210 105 G 3.8559 7.9864 105.0260 46.2374 0.0000 173.0559 106 Q 4.9105 8.1985 119.0393 54.2359 32.1834 174.8649 107 S 4.8223 8.2612 114.4704 57.5952 67.2161 171.9054 108 A 5.8058 8.3458 119.0540 51.6211 21.8313 176.2224 109 V 4.6283 8.4847 113.8520 59.4763 35.4435 175.2834 110 T 3.4049 8.4963 120.3612 64.1239 68.3288 173.3504 111 S 4.4691 8.7890 121.4071 59.5066 63.8726 173.8292 112 E 4.7174 7.7340 118.1188 54.2223 33.2678 174.3922 113 L 4.8438 8.4001 124.5431 53.3888 45.1874 174.6534 114 N 5.0086 9.1182 125.5312 51.8245 41.4798 173.1799 115 I 4.7175 8.1610 125.5469 59.7345 41.6120 174.1681 116 H 4.7021 8.3981 122.4510 54.1356 31.4847 172.7417 117 Y 4.5614 8.5609 121.7829 57.1655 38.4243 175.1017 118 V 4.0185 8.8960 125.9279 64.1866 32.3352 175.8135 119 K 4.7653 7.2049 117.3849 53.3154 35.7195 174.6342 120 P 4.2986 0.0000 0.0000 62.7159 31.7551 176.7656 121 G 3.6914 8.5126 112.1640 45.2778 0.0000 173.8986 *123 G 3.8178 8.2502 111.5071 45.9496 0.0000 172.9728 124 T 4.6008 8.3774 112.3734 61.2517 69.7395 174.3232 125 Y 4.9384 6.8265 119.5950 57.2926 40.0476 172.2285 126 L 5.1228 9.0519 119.6796 53.0513 44.7906 176.1764 127 R 5.2479 9.6042 121.2716 54.5088 33.8485 174.1024 128 A 5.0779 9.2420 126.3716 50.0820 21.9395 174.7405 129 V 4.7524 8.8136 122.6924 61.2049 33.8612 174.5259 130 A 5.4335 8.2058 128.1399 50.3856 22.5102 175.4993 131 S 4.5675 8.9283 113.7712 56.6359 66.8528 173.6254 132 I 4.0371 8.4438 124.9737 62.0413 36.6917 176.0457 133 V 4.0318 8.8500 127.6132 64.4213 32.6747 175.4937 134 H 4.4639 7.5851 116.3460 55.4749 33.2006 172.2562 135 Q 4.2229 8.8873 127.2712 54.4344 30.1808 174.3064 136 G 4.2154 7.9955 114.5574 42.8565 0.0000 172.0064 137 K 4.0136 8.7021 118.4132 59.7851 32.4460 178.8701 138 Q 4.1409 8.1481 117.2074 58.0871 29.7234 176.1741 139 R 5.0850 7.8063 113.3013 54.5012 33.9769 173.8887 140 I 4.7764 8.8955 121.0211 59.5938 39.9446 175.1470 141 V 4.6125 8.5387 128.3095 62.4426 32.9977 175.2864 142 V 5.0748 9.2074 126.6566 60.1371 34.9756 174.4146 143 E 4.9733 8.8378 122.1092 54.6890 32.5901 174.6481 144 G 4.3302 7.5596 105.4211 46.0402 0.0000 172.9241 145 K 4.8213 8.3283 119.7647 54.1899 36.9347 175.3351 146 V 4.6126 8.2800 122.5378 61.3977 33.8675 174.2641 147 Y 5.3514 9.9714 124.7977 56.5870 42.2958 174.9302 148 T 4.5625 8.5301 116.5138 60.2800 69.9079 174.6894 149 D 4.2954 8.0387 119.2733 53.6030 39.0234 176.7124 150 Q 4.3668 7.6844 119.8581 56.4571 30.6735 176.6364 151 G 4.0420 8.3008 103.1131 45.2325 0.0000 173.8896 152 E 4.1120 8.1285 120.2162 56.6202 30.0632 175.8654 153 T 4.6359 8.4786 119.8172 63.3878 69.2217 175.6136 154 V 3.9397 9.2755 128.0186 65.8902 33.0254 175.1078 155 A 4.8554 6.7676 119.1646 52.2454 22.5291 175.2650 *157 G 4.3733 8.7263 101.4806 46.8042 0.0000 172.5624 158 T 5.1448 8.1991 110.8087 60.2038 72.2239 173.2390 159 G 4.4852 9.0682 108.0051 45.1259 0.0000 171.8038 160 S 5.3022 9.1187 117.3076 56.1542 65.5227 172.6746 161 F 5.1748 9.0687 124.9423 55.6472 42.1295 173.9047 162 F 5.0097 9.3109 126.0872 56.9803 41.1067 174.6226 163 V 4.4966 7.5305 125.9281 61.9542 32.6069 175.7447 164 L 4.4773 8.6531 126.6381 54.9134 41.7320 176.3375 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 10 I 7.88 4.17 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 1.41 0.74 0.91 0.00 0.00 11 V 8.13 3.44 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 0.69 0.00 0.00 0.93 0.00 0.00 12 D 8.41 4.48 0.00 2.67 2.76 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 13 K 8.12 4.00 0.00 1.90 1.79 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.43 7.81 *15 E 8.05 4.86 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 2.22 2.31 0.00 16 R 7.59 4.47 0.00 1.95 2.37 0.00 3.15 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 17 F 8.24 4.35 0.00 3.12 3.04 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 18 L 7.76 3.95 0.00 1.75 1.66 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.40 4.21 0.00 3.84 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 20 T 7.30 4.35 4.14 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 0.00 0.00 1.17 0.00 0.00 21 A 7.37 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.55 4.73 0.00 3.01 2.95 0.00 0.00 6.63 7.64 0.00 0.00 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 E 8.72 3.92 0.00 1.99 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 2.39 2.32 0.00 24 E 8.17 3.96 0.00 2.22 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 0.00 2.45 2.50 0.00 25 E 8.72 4.17 0.00 2.15 1.65 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 2.40 2.64 0.00 26 K 7.90 4.16 0.00 2.00 1.87 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.49 7.81 27 D 8.44 4.49 0.00 2.71 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 28 V 8.37 3.70 2.31 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 1.03 0.00 0.00 1.01 0.00 0.00 29 L 7.86 3.98 0.00 1.92 2.08 0.87 0.98 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 30 S 8.24 4.10 0.00 3.99 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 31 S 7.87 4.96 0.00 4.07 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 32 I 7.85 3.75 2.02 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 1.58 0.70 0.91 0.00 0.00 33 V 7.91 3.76 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 0.94 0.00 0.00 0.96 0.00 0.00 34 D 8.30 4.43 0.00 2.97 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 35 G 8.44 4.07 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 0.00 0.00 0.00 36 L 7.98 4.08 0.00 1.93 1.84 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.89 3.97 0.00 2.12 1.75 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.15 4.08 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 39 K 8.61 3.83 0.00 1.87 2.00 0.00 1.45 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.93 1.34 7.81 40 Q 8.16 4.12 0.00 2.41 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 41 E 7.94 4.31 0.00 1.97 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 2.32 2.51 0.00 42 R 8.52 3.94 0.00 1.86 1.89 0.00 3.11 0.00 0.00 3.24 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 43 R 7.96 3.71 0.00 1.32 1.18 0.00 3.04 0.00 0.00 3.08 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 44 Y 6.94 4.97 0.00 2.94 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 45 A 8.72 4.49 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 46 T 7.34 4.67 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 1.23 0.00 0.00 47 Y 8.33 4.23 0.00 3.10 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 48 L 8.16 3.93 0.00 1.70 1.68 0.91 1.33 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 49 A 8.02 3.83 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 50 S 7.61 3.73 0.00 4.07 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 51 L 8.22 4.03 0.00 1.60 1.74 1.09 0.80 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 52 T 7.40 3.93 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 1.15 0.00 0.00 53 Q 7.87 3.73 0.00 2.27 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.61 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 54 I 7.51 4.26 1.89 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.78 0.88 0.00 0.00 55 E 9.20 4.87 0.00 1.87 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 2.38 2.43 0.00 56 S 8.67 5.09 0.00 3.72 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 *61 D 8.46 4.56 0.00 2.87 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 62 G 7.87 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 63 R 7.93 4.29 0.00 1.69 1.91 0.00 2.45 0.00 0.00 2.48 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.58 0.00 64 F 7.92 4.87 0.00 3.03 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 65 E 8.32 5.53 0.00 2.14 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 2.20 2.17 0.00 66 V 8.52 4.40 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 1.08 0.00 0.00 1.11 0.00 0.00 67 R 8.78 5.21 0.00 1.86 1.64 0.00 2.80 0.00 0.00 2.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 68 L 9.09 5.19 0.00 1.77 1.52 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.75 0.00 2.17 2.12 0.00 3.94 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 2.12 2.03 0.00 70 I 8.66 4.08 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 1.32 0.56 0.93 0.00 0.00 71 G 7.83 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.34 0.00 2.22 2.13 0.00 3.63 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 2.14 2.09 0.00 73 L 7.93 4.13 0.00 1.60 1.70 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.70 4.32 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 1.05 0.00 0.00 0.95 0.00 0.00 75 N 7.59 4.96 0.00 2.90 2.74 0.00 0.00 6.81 7.88 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 76 N 8.08 4.97 0.00 2.88 2.89 0.00 0.00 5.92 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 77 P 0.00 4.48 0.00 2.05 2.11 0.00 3.60 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 78 L 8.63 4.61 0.00 1.65 1.58 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 79 N 7.98 3.96 0.00 2.88 2.92 0.00 0.00 6.94 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 *81 V 7.22 3.99 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 0.85 0.00 0.00 0.96 0.00 0.00 82 H 8.95 4.21 0.00 3.19 3.13 0.00 5.67 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.78 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.58 3.72 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 0.00 0.00 0.00 85 I 7.78 3.75 2.02 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 1.62 0.98 0.94 0.00 0.00 86 T 8.15 3.91 4.67 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 1.37 0.00 0.00 87 A 8.53 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.12 4.00 4.37 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 1.23 0.00 0.00 89 L 8.22 3.93 0.00 1.78 1.92 0.98 0.60 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 90 L 7.92 3.94 0.00 1.85 1.78 0.84 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.74 4.58 0.00 2.84 2.89 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 92 T 7.74 4.04 4.46 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 1.27 0.00 0.00 93 A 7.76 4.26 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 *95 G 8.16 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 7.68 4.21 0.00 2.48 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.33 0.00 0.00 0.00 0.00 0.00 2.70 2.69 0.00 *98 V 7.67 3.77 1.65 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 0.87 0.00 0.00 0.35 0.00 0.00 99 N 7.70 4.33 0.00 2.91 2.88 0.00 0.00 7.00 7.53 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 0.00 100 R 7.68 4.05 0.00 1.95 2.12 0.00 3.12 0.00 0.00 3.61 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.22 0.00 101 Q 7.53 4.44 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 102 L 7.39 4.75 0.00 1.78 1.49 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.42 0.00 2.16 1.97 0.00 3.60 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 2.10 2.10 0.00 104 D 8.85 4.56 0.00 2.66 2.76 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 0.00 105 G 7.99 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 0.00 0.00 0.00 106 Q 8.20 4.91 0.00 1.84 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.60 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 107 S 8.26 4.82 0.00 3.86 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 0.00 108 A 8.35 5.81 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 0.00 0.00 0.00 0.00 0.00 109 V 8.48 4.63 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 1.05 0.00 0.00 110 T 8.50 3.40 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 0.74 0.00 0.00 111 S 8.79 4.47 0.00 3.82 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 E 7.73 4.72 0.00 1.89 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 113 L 8.40 4.84 0.00 1.46 1.44 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 114 N 9.12 5.01 0.00 2.73 2.57 0.00 0.00 6.51 7.49 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 0.00 115 I 8.16 4.72 1.61 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 1.18 0.67 0.00 0.00 0.00 116 H 8.40 4.70 0.00 2.95 3.12 0.00 5.61 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Y 8.56 4.56 0.00 3.01 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 0.00 118 V 8.90 4.02 2.26 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 0.80 0.00 0.00 0.92 0.00 0.00 119 K 7.20 4.77 0.00 1.71 1.66 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.53 7.81 120 P 0.00 4.30 0.00 2.04 1.99 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 121 G 8.51 3.69 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 0.00 0.00 0.00 *123 G 8.25 3.82 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 0.00 0.00 0.00 124 T 8.38 4.60 4.37 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 1.24 0.00 0.00 125 Y 6.83 4.94 0.00 3.06 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 0.00 126 L 9.05 5.12 0.00 1.65 1.66 0.98 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 127 R 9.60 5.25 0.00 2.05 2.10 0.00 3.13 0.00 0.00 3.56 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.75 0.00 128 A 9.24 5.08 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 0.00 129 V 8.81 4.75 2.31 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 1.04 0.00 0.00 1.21 0.00 0.00 130 A 8.21 5.43 1.03 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 0.00 0.00 0.00 0.00 0.00 131 S 8.93 4.57 0.00 3.85 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 0.00 132 I 8.44 4.04 1.84 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 1.15 0.74 0.91 0.00 0.00 133 V 8.85 4.03 2.20 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 0.73 0.00 0.00 0.94 0.00 0.00 134 H 7.59 4.46 0.00 3.25 3.10 0.00 5.86 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 8.89 4.22 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.57 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 136 G 8.00 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 0.00 0.00 0.00 137 K 8.70 4.01 0.00 1.71 1.85 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.51 7.81 138 Q 8.15 4.14 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 139 R 7.81 5.09 0.00 2.14 2.06 0.00 3.07 0.00 0.00 3.44 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 140 I 8.90 4.78 1.89 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 1.06 0.71 0.91 0.00 0.00 141 V 8.54 4.61 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 1.06 0.00 0.00 1.00 0.00 0.00 142 V 9.21 5.07 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 1.03 0.00 0.00 0.86 0.00 0.00 143 E 8.84 4.97 0.00 2.05 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 0.00 2.32 2.25 0.00 144 G 7.56 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 0.00 145 K 8.33 4.82 0.00 1.47 1.00 0.00 1.70 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.22 1.28 7.81 146 V 8.28 4.61 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 0.98 0.00 0.00 0.87 0.00 0.00 147 Y 9.97 5.35 0.00 3.06 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 0.00 148 T 8.53 4.56 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 1.31 0.00 0.00 149 D 8.04 4.30 0.00 2.61 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 7.68 4.37 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.95 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 151 G 8.30 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 0.00 152 E 8.13 4.11 0.00 2.08 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 2.42 2.35 0.00 153 T 8.48 4.64 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 1.15 0.00 0.00 154 V 9.28 3.94 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 1.02 0.00 0.00 0.95 0.00 0.00 155 A 6.77 4.86 1.10 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 *157 G 8.73 4.37 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 0.00 0.00 0.00 158 T 8.20 5.14 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 1.22 0.00 0.00 159 G 9.07 4.49 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 0.00 160 S 9.12 5.30 0.00 3.83 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 0.00 161 F 9.07 5.17 0.00 3.11 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 0.00 162 F 9.31 5.01 0.00 3.06 2.95 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 0.00 0.00 0.00 163 V 7.53 4.50 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 0.82 0.00 0.00 0.87 0.00 0.00 164 L 8.65 4.48 0.00 1.53 1.56 1.01 1.08 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 * Residues marked with a * may have inaccurate shift predictions.