NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3920 0.0000 0.0000 65.1578 32.5951 175.7396 3 T 3.5280 6.7467 110.8239 57.1077 73.0368 172.2844 4 I 3.6205 8.7470 123.3772 64.6406 38.2223 178.7608 5 N 4.2727 8.1015 116.8584 56.9337 38.8849 176.4273 6 Q 3.9904 8.5123 119.7533 59.2689 28.7514 179.2605 7 L 4.0836 8.0796 119.7807 57.5205 41.3808 179.6650 8 V 3.5811 7.5374 117.6454 65.9852 31.5372 178.0709 9 R 4.1263 7.9569 116.6447 59.7437 30.2135 178.0589 10 K 4.1714 8.6503 118.1286 52.9905 32.1217 177.7301 11 G 3.9346 7.1583 107.8939 45.0315 0.0000 173.0548 12 R 4.3115 8.0002 117.6673 54.6052 31.4940 176.8382 13 E 4.1198 8.3985 121.2632 54.7249 28.7070 176.0138 14 K 3.9819 8.4298 128.1273 56.1974 32.4593 177.1863 15 V 3.8690 8.2595 119.9274 61.5486 32.2019 175.7664 16 R 4.7617 8.2523 120.4602 54.0918 33.6281 175.0324 17 K 4.5419 8.3958 118.9627 54.8711 34.9325 175.7074 18 K 4.1499 8.5138 122.4371 54.8660 32.7605 175.9055 19 S 4.0142 8.6950 119.1784 58.5214 61.8989 174.6846 20 K 3.9834 8.4797 126.1180 57.7622 31.6860 178.0534 21 V 3.9687 7.5151 119.9931 61.5119 32.4602 172.7615 22 P 4.5179 0.0000 0.0000 61.5173 30.1138 177.4402 23 A 3.5112 7.6417 121.0627 53.4267 19.4596 178.5873 24 L 3.6048 7.4711 116.1703 54.2117 41.2139 174.7635 25 K 3.6632 9.0762 116.8342 56.2909 30.7745 174.8020 26 G 3.9841 7.9794 102.8317 46.7581 0.0000 173.5615 27 A 4.4281 7.5586 120.8163 50.3565 19.7215 177.0372 28 P 4.1358 0.0000 0.0000 64.4924 31.8083 176.6950 29 F 5.3345 7.5125 114.1745 56.0260 43.5381 174.1743 30 R 4.6053 8.8333 120.2030 54.6715 33.3847 173.9345 31 R 4.3704 9.0045 127.2145 56.8865 31.2558 175.3024 32 G 4.3244 9.4090 117.0926 44.9249 0.0000 171.5584 33 V 4.2585 8.1531 120.1949 61.7043 33.9484 174.2037 34 C 4.4808 8.7680 126.6160 61.0338 28.1566 174.3156 35 T 4.5909 8.9717 111.3107 62.5306 70.8637 174.3425 36 V 4.6046 7.5243 119.4158 61.3372 35.5165 173.8898 37 V 4.8173 8.0343 124.4368 62.1398 34.5956 174.2440 38 R 4.6800 8.5603 125.2240 56.1954 35.5987 172.5493 39 T 5.6333 8.6384 110.0648 60.0454 70.6984 173.7857 40 V 4.5879 8.4179 125.5334 61.0349 33.9195 174.9590 41 T 4.3669 8.4363 117.5517 60.6457 69.8792 173.0415 42 P 4.7057 0.0000 0.0000 62.0036 33.0443 176.0373 43 K 4.2785 7.9797 117.6444 56.1709 32.7216 176.3208 44 K 3.9938 8.7801 120.6680 60.1790 32.2665 177.4580 45 P 4.3614 0.0000 0.0000 65.3874 31.7717 176.0937 46 N 4.7007 7.6444 115.1335 53.5962 40.6855 173.6026 47 S 4.6777 8.1591 108.7299 58.8723 65.4034 174.7761 48 A 4.3890 7.9871 133.9053 50.7204 21.3816 177.5066 49 L 4.5973 8.3976 108.6450 54.9776 42.5477 174.5883 50 R 4.1917 7.9696 118.2937 57.1409 32.1487 177.2034 51 K 4.9805 8.8847 121.1264 55.4267 33.9754 176.0921 52 V 5.1078 8.9245 117.3715 59.6923 36.7999 174.5588 53 A 5.0982 9.0795 123.4727 50.3377 22.5812 175.5443 54 K 4.4700 9.0928 125.4229 56.3864 33.7001 175.9890 55 V 4.8398 9.3465 127.4068 61.0867 35.6395 174.0785 56 R 4.5335 8.5584 127.3180 54.9636 31.1097 175.8158 57 L 4.8496 8.3211 127.2550 54.0544 42.8688 177.4578 58 T 4.1695 8.0302 109.4761 62.9376 69.1423 175.3974 59 S 4.5827 8.0451 116.6358 58.2990 63.4397 173.9247 60 G 4.3149 8.4727 113.8422 46.3620 0.0000 173.9099 61 Y 4.2204 8.0403 116.6007 58.2284 39.4677 175.4867 62 E 4.9318 8.5347 120.6226 55.5289 31.5876 173.9925 63 V 4.6749 8.3085 119.9008 59.6327 35.9590 174.5078 64 T 5.0841 8.4218 110.9115 60.5032 70.9515 173.7323 65 A 5.0745 8.8524 123.6007 50.7091 23.4350 174.1559 66 Y 5.0154 9.0996 121.1301 56.2227 41.0696 174.8134 67 I 4.4043 7.0780 120.3682 58.1601 38.2690 173.5879 68 P 4.1252 0.0000 0.0000 63.3217 32.3328 175.3368 69 G 3.8694 8.2951 104.1957 44.3383 0.0000 171.9841 70 E 4.4380 8.8735 119.8316 55.3069 31.0473 176.7318 71 G 3.7827 8.7808 112.4185 46.8019 0.0000 170.4255 72 H 4.7133 8.0028 112.0984 55.2618 30.6200 172.9118 73 N 4.9447 8.5859 114.9800 52.4371 37.5308 174.1049 74 L 4.5575 7.9181 118.6754 54.5274 43.2594 175.9512 75 Q 4.7051 9.3580 122.7516 53.4942 32.4566 175.4386 76 E 3.9972 8.8741 118.6476 59.5904 29.3362 176.9054 77 H 4.8728 7.9751 111.3419 54.7673 31.1491 173.6389 78 S 4.0938 8.0826 115.9149 59.2409 63.8448 174.7190 79 V 4.2182 9.4399 125.6257 63.1127 32.8521 174.9228 80 V 4.6864 8.1657 121.9240 61.1712 35.1473 170.9729 81 L 5.1614 8.4251 123.6438 53.7284 44.4296 174.5856 82 I 4.6624 8.8189 126.9791 60.2725 39.2634 175.6797 83 R 4.3434 10.2662 131.1362 59.0598 30.8233 177.2521 84 G 3.7725 8.4168 107.8659 46.6417 0.0000 172.2629 85 G 4.3104 8.1337 124.0243 44.5147 0.0000 172.5318 86 R 4.1204 7.7353 124.3915 56.4416 30.3396 176.9406 87 V 4.3752 7.5723 111.0502 61.4083 32.5107 172.5836 88 K 4.0942 7.7210 126.6470 54.0280 31.9078 174.8018 89 D 4.9253 6.9992 129.4060 53.8822 42.9845 175.3336 90 L 4.7926 8.2035 118.6473 52.0544 43.0157 174.2910 91 P 4.0185 0.0000 0.0000 64.0881 31.6006 178.7340 92 G 3.8330 8.8738 109.4206 46.4756 0.0000 173.7975 93 V 3.8942 7.7869 119.9466 62.7681 30.4599 176.0959 94 R 4.8137 8.2004 127.8718 54.8048 29.8835 174.9633 95 Y 4.8098 7.6829 113.2821 58.4127 42.3199 174.4259 96 H 5.5368 9.1118 118.9325 54.2133 32.7638 172.9039 97 I 4.4762 8.4664 122.2769 59.3179 37.7632 177.9086 98 V 3.8248 8.4974 129.5340 63.7209 29.1937 175.2974 99 R 3.6796 7.1835 118.9866 57.8366 30.4785 175.4781 100 G 4.3447 9.4426 114.3274 44.4124 0.0000 172.6544 101 V 4.2337 7.0280 118.0882 61.1676 35.7218 177.3735 102 Y 3.8403 8.3583 121.3800 58.8664 36.9107 170.9958 103 D 4.7687 6.0500 120.5500 54.3593 42.9002 175.8469 104 A 4.4658 8.6551 124.8115 50.2703 19.3685 177.2148 105 A 4.4713 8.7494 125.9884 52.0748 19.3140 177.2697 106 G 3.9054 8.2358 107.0974 45.5256 0.0000 173.7088 107 V 3.8376 8.3256 120.7806 62.7532 31.9916 175.5241 108 K 4.0381 8.6921 130.1275 56.7658 32.8430 176.0960 109 D 4.3875 8.6920 126.8749 55.6762 37.6154 173.7695 110 R 4.4831 8.0083 118.2749 54.7726 31.7770 174.3773 111 K 4.3957 8.5266 123.7185 58.0263 34.9705 177.6810 112 K 3.4681 8.4263 110.8838 59.8600 30.9341 178.1787 113 S 4.5172 8.8099 118.8491 58.2074 64.2040 174.1739 114 R 4.6782 8.3115 122.8826 55.8935 31.8015 176.9509 115 S 4.1611 8.2415 112.4863 60.5185 62.6412 174.0794 116 K 4.4103 7.9352 118.8744 55.8362 33.7895 176.6309 117 Y 3.3992 8.4549 114.6098 57.6639 35.6960 171.5581 118 G 3.5011 7.9453 105.0169 46.9332 0.0000 174.0611 119 T 3.8654 8.5384 115.4136 61.9324 67.7010 174.1934 120 K 4.2455 8.2568 127.9754 55.1336 34.6650 175.4363 121 K 3.8704 8.4507 120.1148 56.2576 31.1407 175.1191 122 P 4.4252 0.0000 0.0000 62.2170 28.7183 174.4886 123 K 4.0154 8.1756 125.5869 57.6820 30.9564 175.6530 124 E 4.2194 8.3970 122.6167 55.5707 31.5762 176.5898 125 A 3.5057 7.7280 120.7312 53.0646 15.7993 176.1027 *126 A 4.1172 7.5510 128.3471 51.8420 18.9464 177.0471 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 P 0.00 4.39 0.00 2.06 2.10 0.00 3.67 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 1.92 2.08 0.00 3 T 6.75 3.53 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 4 I 8.75 3.62 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 1.52 1.19 0.91 0.00 0.00 5 N 8.10 4.27 0.00 2.83 2.79 0.00 0.00 7.15 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 8.51 3.99 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 7 L 8.08 4.08 0.00 1.87 1.71 0.92 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 8 V 7.54 3.58 2.21 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 0.83 0.00 0.00 1.04 0.00 0.00 9 R 7.96 4.13 0.00 1.82 1.96 0.00 3.21 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 10 K 8.65 4.17 0.00 1.92 1.70 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.49 7.81 11 G 7.16 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 0.00 0.00 0.00 12 R 8.00 4.31 0.00 1.81 1.86 0.00 3.37 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 13 E 8.40 4.12 0.00 1.90 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 0.00 2.27 2.35 0.00 14 K 8.43 3.98 0.00 1.75 1.73 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.41 7.81 15 V 8.26 3.87 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 0.76 0.00 0.00 0.93 0.00 0.00 16 R 8.25 4.76 0.00 1.74 1.78 0.00 3.14 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 17 K 8.40 4.54 0.00 1.80 1.74 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.34 7.81 18 K 8.51 4.15 0.00 1.74 1.79 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.48 7.81 19 S 8.70 4.01 0.00 3.83 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 20 K 8.48 3.98 0.00 1.70 1.77 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.39 7.81 21 V 7.52 3.97 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 0.65 0.00 0.00 0.40 0.00 0.00 22 P 0.00 4.52 0.00 2.09 2.20 0.00 3.83 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.04 0.00 23 A 7.64 3.51 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 24 L 7.47 3.60 0.00 1.51 1.70 0.98 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 25 K 9.08 3.66 0.00 1.87 1.86 0.00 1.94 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.43 7.81 26 G 7.98 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 27 A 7.56 4.43 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 28 P 0.00 4.14 0.00 1.50 1.69 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 29 F 7.51 5.33 0.00 2.96 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 30 R 8.83 4.61 0.00 1.94 1.73 0.00 3.28 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 31 R 9.00 4.37 0.00 1.95 1.76 0.00 2.63 0.00 0.00 3.02 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.93 0.00 32 G 9.41 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 0.00 0.00 0.00 0.00 33 V 8.15 4.26 2.04 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 0.86 0.00 0.00 0.87 0.00 0.00 34 C 8.77 4.48 0.00 3.03 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 35 T 8.97 4.59 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 1.24 0.00 0.00 36 V 7.52 4.60 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 1.01 0.00 0.00 0.93 0.00 0.00 37 V 8.03 4.82 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 0.99 0.00 0.00 0.96 0.00 0.00 38 R 8.56 4.68 0.00 1.79 1.82 0.00 3.14 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 39 T 8.64 5.63 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 1.25 0.00 0.00 40 V 8.42 4.59 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 0.87 0.00 0.00 0.97 0.00 0.00 41 T 8.44 4.37 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 42 P 0.00 4.71 0.00 2.30 2.11 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 43 K 7.98 4.28 0.00 1.77 1.81 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.39 7.81 44 K 8.78 3.99 0.00 1.70 1.84 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 45 P 0.00 4.36 0.00 2.21 2.16 0.00 3.80 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 1.97 1.97 0.00 46 N 7.64 4.70 0.00 2.82 2.83 0.00 0.00 6.77 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 47 S 8.16 4.68 0.00 3.92 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 48 A 7.99 4.39 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 49 L 8.40 4.60 0.00 1.49 1.63 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.97 4.19 0.00 1.83 2.16 0.00 3.28 0.00 0.00 3.43 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.57 0.00 51 K 8.88 4.98 0.00 1.60 1.54 0.00 1.70 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.56 7.81 52 V 8.92 5.11 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 1.05 0.00 0.00 1.08 0.00 0.00 53 A 9.08 5.10 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 54 K 9.09 4.47 0.00 1.86 1.69 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.39 7.81 55 V 9.35 4.84 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 0.90 0.00 0.00 0.96 0.00 0.00 56 R 8.56 4.53 0.00 1.92 1.77 0.00 3.11 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 57 L 8.32 4.85 0.00 1.61 1.62 0.86 0.89 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 58 T 8.03 4.17 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 1.26 0.00 0.00 59 S 8.05 4.58 0.00 4.05 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 60 G 8.47 4.31 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 0.00 61 Y 8.04 4.22 0.00 2.83 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 62 E 8.53 4.93 0.00 1.92 1.81 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 2.19 2.37 0.00 63 V 8.31 4.67 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 0.81 0.00 0.00 0.47 0.00 0.00 64 T 8.42 5.08 4.29 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 1.24 0.00 0.00 65 A 8.85 5.07 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 66 Y 9.10 5.02 0.00 3.00 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 67 I 7.08 4.40 1.54 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.51 0.77 0.00 0.00 68 P 0.00 4.13 0.00 1.85 2.00 0.00 3.50 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 1.62 1.71 0.00 69 G 8.30 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 70 E 8.87 4.44 0.00 1.98 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 2.28 2.25 0.00 71 G 8.78 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 72 H 8.00 4.71 0.00 3.21 3.20 0.00 5.48 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.59 4.94 0.00 2.81 2.90 0.00 0.00 5.94 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 L 7.92 4.56 0.00 1.86 1.69 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 9.36 4.71 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.68 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 76 E 8.87 4.00 0.00 1.96 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 2.30 2.54 0.00 77 H 7.98 4.87 0.00 2.97 3.27 0.00 5.98 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.08 4.09 0.00 3.81 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 79 V 9.44 4.22 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 0.66 0.00 0.00 0.86 0.00 0.00 80 V 8.17 4.69 2.13 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 0.60 0.00 0.00 0.98 0.00 0.00 81 L 8.43 5.16 0.00 1.95 1.55 1.20 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.82 4.66 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.29 1.01 0.00 0.00 83 R 10.27 4.34 0.00 2.09 2.19 0.00 3.42 0.00 0.00 3.35 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.15 0.00 84 G 8.42 3.77 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 0.00 0.00 0.00 85 G 8.13 4.31 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 0.00 86 R 7.74 4.12 0.00 1.83 1.88 0.00 2.99 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 87 V 7.57 4.38 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 0.44 0.00 0.00 0.73 0.00 0.00 88 K 7.72 4.09 0.00 1.71 1.74 0.00 1.91 0.00 0.00 1.61 0.00 0.00 2.71 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.44 7.81 89 D 7.00 4.93 0.00 2.74 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 90 L 8.20 4.79 0.00 1.46 1.53 0.83 0.97 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 91 P 0.00 4.02 0.00 2.17 2.02 0.00 3.72 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 92 G 8.87 3.83 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 0.00 0.00 0.00 93 V 7.79 3.89 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 1.04 0.00 0.00 0.99 0.00 0.00 94 R 8.20 4.81 0.00 1.66 1.82 0.00 3.04 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.19 0.00 95 Y 7.68 4.81 0.00 2.94 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 96 H 9.11 5.54 0.00 3.16 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.47 4.48 1.90 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 1.14 0.67 0.89 0.00 0.00 98 V 8.50 3.82 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 0.68 0.00 0.00 0.93 0.00 0.00 99 R 7.18 3.68 0.00 1.61 1.70 0.00 3.33 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 100 G 9.44 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 0.00 101 V 7.03 4.23 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 0.12 0.00 0.00 0.75 0.00 0.00 102 Y 8.36 3.84 0.00 3.15 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 0.00 103 D 6.05 4.77 0.00 3.05 2.68 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 0.00 0.00 0.00 0.00 104 A 8.66 4.47 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 0.00 105 A 8.75 4.47 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 0.00 106 G 8.24 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 0.00 107 V 8.33 3.84 2.21 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 0.87 0.00 0.00 1.31 0.00 0.00 108 K 8.69 4.04 0.00 1.82 1.72 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.48 7.81 109 D 8.69 4.39 0.00 2.89 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 0.00 110 R 8.01 4.48 0.00 1.73 1.80 0.00 3.10 0.00 0.00 3.05 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.53 0.00 111 K 8.53 4.40 0.00 1.71 1.78 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.47 7.81 112 K 8.43 3.47 0.00 1.60 1.53 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.38 7.81 113 S 8.81 4.52 0.00 3.61 3.77 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 0.00 114 R 8.31 4.68 0.00 1.75 2.23 0.00 3.34 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 115 S 8.24 4.16 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 0.00 116 K 7.94 4.41 0.00 2.48 1.83 0.00 2.04 0.00 0.00 1.97 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.56 7.81 117 Y 8.45 3.40 0.00 3.23 3.13 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 0.00 118 G 7.95 3.50 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 0.00 0.00 0.00 119 T 8.54 3.87 4.42 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 0.00 0.00 0.00 1.25 0.00 0.00 120 K 8.26 4.25 0.00 1.89 1.83 0.00 1.63 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 1.37 1.41 7.81 121 K 8.45 3.87 0.00 1.71 1.82 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.49 7.81 122 P 0.00 4.43 0.00 2.21 2.08 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 123 K 8.18 4.02 0.00 1.71 1.81 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.49 7.81 124 E 8.40 4.22 0.00 2.07 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 0.00 2.18 2.51 0.00 125 A 7.73 3.51 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 *126 A 7.55 4.12 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 * Residues marked with a * may have inaccurate shift predictions.