NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4848 8.4045 118.1963 55.0374 32.5899 175.2514 2 R 4.2127 8.9293 120.7830 55.1513 30.5141 173.6805 3 H 5.2284 9.3404 119.9089 53.4854 32.2576 173.7232 4 I 4.3936 8.2533 121.7806 60.6656 38.1698 176.8228 5 S 4.5952 8.8111 120.3727 56.9384 65.5828 173.4861 6 P 4.2278 0.0000 0.0000 66.1414 30.9938 178.6862 7 E 3.9498 8.1732 116.4823 59.6180 29.4835 178.9752 8 E 3.9508 7.8963 118.3598 59.5026 29.4585 179.3428 9 L 4.0173 7.9060 120.2809 58.0969 42.0628 179.1455 10 I 3.7371 7.8660 119.6927 64.1856 37.0742 178.0802 11 A 3.9768 8.2726 121.9178 55.1860 18.1107 179.6174 12 L 3.8975 7.9518 117.2709 58.2103 41.8525 179.2015 13 H 4.4278 8.2795 119.3169 58.8877 29.6124 176.5418 14 D 4.3483 8.5678 119.6140 57.7335 41.2030 178.7312 15 A 4.1353 8.4528 121.0152 55.4392 18.1495 179.4238 16 N 4.4949 8.2920 114.0256 55.9976 38.7126 177.2502 17 I 4.1066 7.4317 119.9947 61.9578 38.2678 176.4081 18 S 4.4521 7.2450 113.3430 55.6272 62.5539 172.7980 *28 D 4.5112 7.9545 126.5912 53.3394 40.1515 175.5892 29 P 4.6062 0.0000 0.0000 64.8767 30.9399 179.1989 30 G 3.7181 8.3374 107.3574 48.2207 0.0000 176.6100 31 R 3.8785 8.7450 123.0486 60.9862 29.4247 181.4001 32 A 4.2171 8.1769 123.6354 55.9074 18.3667 179.9613 33 E 3.9522 7.9071 115.6290 61.3344 29.6733 181.0972 34 A 4.1573 7.7001 120.4860 54.8777 18.4186 179.7606 35 I 3.5216 7.5571 118.3064 64.6705 37.1380 178.7534 36 I 3.8058 7.7652 120.5878 64.2305 36.9522 178.6143 37 G 3.6586 8.2569 106.7368 47.9534 0.0000 175.8349 38 R 3.8720 8.3010 120.8804 58.8456 30.0875 179.2779 39 V 3.3213 7.7376 117.8990 66.1476 31.5098 177.7960 40 Q 3.9485 8.2010 117.7211 59.1415 28.5745 179.2416 41 A 4.0685 8.1717 123.9212 55.9516 18.3815 180.6231 42 R 3.9567 7.8233 118.8124 61.2952 29.4786 181.0525 43 V 3.7773 7.8859 118.2473 66.4936 31.3081 177.2118 44 A 3.9260 8.0321 119.0917 55.5425 18.1109 178.3862 45 Y 3.9475 8.3492 117.7878 61.1216 39.2115 178.4235 46 E 4.3590 8.9774 119.9105 56.2990 30.8614 177.0129 *47 E 3.7971 7.8070 114.6023 56.7730 27.5036 180.2149 48 I 4.2370 7.4662 120.1465 61.2589 38.6084 176.4090 49 T 4.3659 8.3256 118.3604 62.6669 69.4976 174.4908 50 D 4.4546 7.9837 121.2913 53.9835 42.2780 176.3976 51 L 3.8678 8.5986 127.2397 58.1967 41.6552 179.5958 52 F 4.4047 7.9704 116.9410 60.1999 38.9279 177.2830 53 E 4.0270 8.6569 119.4104 59.1215 29.3631 179.0607 54 V 3.6115 7.6567 118.6229 65.8461 31.7011 177.7726 55 S 4.1891 8.6487 113.1661 61.6869 62.2018 176.2102 56 A 4.1231 8.2972 123.2122 55.3091 18.0021 179.8234 57 T 3.7917 7.9433 114.4956 66.9674 68.4336 176.2908 58 Y 4.0112 8.1585 118.8140 61.1163 38.0296 178.7823 59 L 4.0139 7.9119 120.8487 58.1225 42.2943 179.2260 60 V 3.5709 7.8325 117.9597 66.0962 31.5872 177.9515 61 A 4.0053 8.2117 120.6407 55.3171 17.9449 179.7988 62 T 3.9153 8.1881 113.8349 66.5991 68.4243 176.5170 63 A 4.2163 7.9742 122.3258 55.2871 18.2858 179.6204 64 R 3.8969 7.8984 114.3152 57.7794 30.4492 178.2812 65 G 3.7231 7.7205 103.7956 44.7305 0.0000 173.4213 66 Y 4.5547 7.2599 118.5768 57.3916 38.7323 175.8320 67 I 4.2446 7.4221 120.4736 59.9610 38.4030 175.6431 68 F 4.9114 8.4502 123.1235 55.2354 42.1351 175.2784 69 N 4.6388 8.8088 121.2313 53.1716 37.6098 173.1620 70 D 5.1571 8.0818 125.5477 50.7507 42.8395 176.2415 71 A 4.0158 8.6483 118.9989 55.7188 18.0334 179.6671 72 N 4.3022 8.2156 114.4386 56.4713 38.5609 177.3469 73 K 4.0259 8.5452 123.4096 60.2295 32.2058 179.5315 74 R 4.0038 8.2249 120.9321 61.9242 29.2640 180.8564 75 T 4.0925 8.0383 116.2085 66.3442 68.3189 176.7536 76 A 4.0180 7.8166 123.0231 54.8992 18.3809 179.4404 77 L 4.0576 7.6344 118.6816 58.0588 42.1656 178.4353 78 N 4.2909 8.4184 117.1016 56.6127 38.5601 177.4173 79 S 4.0989 8.0755 114.9458 61.5139 63.0508 176.4263 80 A 4.0603 7.6786 123.2915 54.7223 18.0975 179.6291 81 L 3.9466 8.0725 117.5862 57.4667 41.6779 179.3457 82 L 3.8922 8.7074 121.3647 58.0022 41.8339 178.4896 83 F 4.0037 8.0213 119.2892 61.4438 39.5761 176.7376 84 L 3.9786 7.7555 117.8884 57.8675 41.5525 179.3039 85 R 4.1142 7.8333 119.7800 58.9440 29.7361 178.4612 86 R 3.9532 7.9019 116.6048 58.1262 30.0033 176.4630 87 N 4.6696 7.6508 115.5767 52.9030 38.9837 175.6007 88 G 3.8458 8.0386 105.4327 45.3613 0.0000 174.3171 89 V 4.0336 7.2270 119.5958 61.5954 32.6253 174.8851 90 Q 4.3732 8.4049 125.6546 55.1706 29.7510 175.4856 91 V 3.5944 7.8594 120.4816 61.0586 34.6782 173.9042 92 F 4.8753 7.2554 118.8097 55.6150 40.4107 173.0496 93 D 4.6139 8.7390 121.0120 54.1839 41.8901 175.3167 94 S 4.7635 8.4085 119.0109 55.8430 65.3596 172.6905 95 P 4.3188 0.0000 0.0000 66.0516 31.4767 177.9978 96 E 4.0605 8.0297 117.0543 58.3887 29.2660 179.0639 97 L 4.0262 8.0812 119.7092 57.3748 41.1168 178.9428 98 A 3.9813 7.5262 120.9261 55.5559 18.3917 179.5113 99 D 4.3322 8.0138 116.6235 57.1642 40.9565 178.4255 100 L 3.9298 8.0052 120.9414 58.6829 42.0093 179.2894 101 T 3.8684 7.9334 115.4216 66.5232 68.3589 176.8735 102 V 3.6440 7.5470 119.1363 66.0719 31.7709 178.3501 103 G 3.6769 8.2490 105.1451 47.6049 0.0000 175.5410 104 A 3.9851 8.0899 122.8352 55.0974 18.2253 179.5975 105 A 3.8545 8.0202 118.5045 54.9856 18.5664 179.1435 106 T 4.2483 7.8306 105.9624 61.7582 69.5406 176.0955 107 G 3.9572 7.5500 109.7208 45.5686 0.0000 174.4006 108 E 4.0678 7.6748 118.1324 57.9534 29.7330 177.1356 109 I 4.4330 7.3423 119.3016 58.8550 39.3705 176.3374 110 S 4.3726 8.4070 120.4723 57.5814 65.0572 175.0780 111 V 3.5421 8.3547 121.8069 66.5933 31.0013 178.2708 112 S 4.1016 8.0142 113.7970 61.9292 62.9037 176.7295 113 S 4.1019 7.9128 117.2502 61.4967 62.4702 177.1088 114 V 3.5334 8.0522 120.8000 66.0256 31.3531 177.8562 115 A 4.0160 8.2389 120.8624 55.3047 18.1409 179.4332 116 D 4.2689 8.3168 117.3515 57.8136 40.9467 178.8998 117 T 3.8235 7.6742 115.7193 66.7798 68.4454 176.5289 118 L 3.9030 8.0074 120.6838 57.8783 41.6177 179.6755 119 R 3.9567 8.1347 118.8945 59.1080 29.7675 178.6081 120 R 4.0849 7.8576 115.5714 58.6077 29.8550 178.2631 121 L 4.0975 7.6084 119.3783 57.2994 40.7824 177.0088 122 Y 4.9487 7.6308 114.6318 57.4311 39.9863 176.3556 123 G 3.8410 8.3430 110.1868 45.5712 0.0000 173.6211 124 S 4.5470 8.5711 114.3678 57.2226 64.4513 173.7409 125 A 4.4069 7.7088 123.8541 50.1327 20.3172 175.5986 126 D 4.3205 8.6408 118.2821 54.5495 40.8535 175.0082 127 P 4.3694 0.0000 0.0000 64.0352 31.5203 176.9795 128 L 4.1617 7.9321 121.3107 54.4428 40.6582 177.0588 129 E 4.1569 7.9061 118.1869 55.5714 29.5286 174.7988 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 1 M 8.40 4.48 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.62 0.00 2 R 8.93 4.21 0.00 1.85 1.74 0.00 3.24 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 3 H 9.34 5.23 0.00 3.20 3.32 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.25 4.39 1.96 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.63 0.95 0.00 0.00 5 S 8.81 4.60 0.00 4.08 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.23 0.00 2.18 2.17 0.00 3.61 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 2.12 2.20 0.00 7 E 8.17 3.95 0.00 2.11 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 2.40 1.98 0.00 8 E 7.90 3.95 0.00 2.20 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 2.35 2.34 0.00 9 L 7.91 4.02 0.00 1.79 1.85 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.87 3.74 2.01 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 1.47 0.89 0.99 0.00 0.00 11 A 8.27 3.98 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 12 L 7.95 3.90 0.00 2.07 1.76 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 13 H 8.28 4.43 0.00 3.35 3.45 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.57 4.35 0.00 2.97 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 15 A 8.45 4.14 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 16 N 8.29 4.49 0.00 2.83 2.91 0.00 0.00 7.10 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 17 I 7.43 4.11 1.93 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.39 0.87 0.00 0.00 18 S 7.24 4.45 0.00 4.00 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 *28 D 7.95 4.51 0.00 2.90 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 29 P 0.00 4.61 0.00 2.22 2.17 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 30 G 8.34 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 31 R 8.75 3.88 0.00 1.82 1.95 0.00 3.29 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 32 A 8.18 4.22 1.49 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 33 E 7.91 3.95 0.00 2.01 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 2.25 2.21 0.00 34 A 7.70 4.16 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 35 I 7.56 3.52 1.94 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.33 0.92 0.00 0.00 36 I 7.77 3.81 1.99 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 1.67 0.86 0.97 0.00 0.00 37 G 8.26 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.30 3.87 0.00 2.05 1.90 0.00 3.25 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.51 0.00 39 V 7.74 3.32 1.78 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 0.27 0.00 0.00 0.52 0.00 0.00 40 Q 8.20 3.95 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 41 A 8.17 4.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.82 3.96 0.00 1.81 1.95 0.00 3.28 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 43 V 7.89 3.78 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 0.99 0.00 0.00 0.96 0.00 0.00 44 A 8.03 3.93 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 45 Y 8.35 3.95 0.00 3.14 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 46 E 8.98 4.36 0.00 2.00 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 2.48 2.50 0.00 *47 E 7.81 3.80 0.00 2.14 1.83 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 2.17 2.13 0.00 48 I 7.47 4.24 1.88 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 1.32 1.13 0.93 0.00 0.00 49 T 8.33 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 1.23 0.00 0.00 50 D 7.98 4.45 0.00 2.89 2.60 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 0.00 0.00 0.00 0.00 51 L 8.60 3.87 0.00 1.16 1.29 0.77 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 52 F 7.97 4.40 0.00 3.30 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 53 E 8.66 4.03 0.00 2.30 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 2.34 2.39 0.00 54 V 7.66 3.61 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 1.17 0.00 0.00 1.00 0.00 0.00 55 S 8.65 4.19 0.00 3.96 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 56 A 8.30 4.12 1.46 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 0.00 0.00 57 T 7.94 3.79 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 1.09 0.00 0.00 58 Y 8.16 4.01 0.00 3.23 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 59 L 7.91 4.01 0.00 1.95 1.87 0.96 0.91 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 60 V 7.83 3.57 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 0.94 0.00 0.00 1.01 0.00 0.00 61 A 8.21 4.01 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 62 T 8.19 3.92 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 1.47 0.00 0.00 63 A 7.97 4.22 1.41 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 64 R 7.90 3.90 0.00 1.78 1.95 0.00 3.13 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 65 G 7.72 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 66 Y 7.26 4.55 0.00 3.10 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 67 I 7.42 4.24 1.77 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 1.41 0.48 0.90 0.00 0.00 68 F 8.45 4.91 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 69 N 8.81 4.64 0.00 2.76 2.85 0.00 0.00 6.78 8.47 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 70 D 8.08 5.16 0.00 2.89 2.82 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 71 A 8.65 4.02 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 72 N 8.22 4.30 0.00 2.99 2.91 0.00 0.00 6.77 7.17 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 73 K 8.55 4.03 0.00 1.89 1.85 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.48 7.81 74 R 8.22 4.00 0.00 1.86 1.93 0.00 3.32 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 75 T 8.04 4.09 4.38 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 1.23 0.00 0.00 76 A 7.82 4.02 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 77 L 7.63 4.06 0.00 1.78 1.82 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.42 4.29 0.00 2.97 2.90 0.00 0.00 6.79 8.42 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 79 S 8.08 4.10 0.00 4.10 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 80 A 7.68 4.06 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 81 L 8.07 3.95 0.00 1.88 1.65 0.95 0.39 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 82 L 8.71 3.89 0.00 1.79 1.77 0.91 -0.01 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 83 F 8.02 4.00 0.00 3.16 3.32 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 84 L 7.76 3.98 0.00 1.76 1.60 0.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 85 R 7.83 4.11 0.00 1.86 1.99 0.00 3.10 0.00 0.00 3.12 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.00 86 R 7.90 3.95 0.00 1.92 1.76 0.00 3.21 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 87 N 7.65 4.67 0.00 2.31 2.56 0.00 0.00 7.12 7.06 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 88 G 8.04 3.85 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 0.00 0.00 0.00 89 V 7.23 4.03 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 0.98 0.00 0.00 0.92 0.00 0.00 90 Q 8.40 4.37 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.52 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 91 V 7.86 3.59 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.13 0.00 0.00 92 F 7.26 4.88 0.00 3.19 3.03 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 93 D 8.74 4.61 0.00 2.76 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 94 S 8.41 4.76 0.00 3.92 3.63 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 95 P 0.00 4.32 0.00 2.23 2.14 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 96 E 8.03 4.06 0.00 1.94 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 0.00 2.31 2.34 0.00 97 L 8.08 4.03 0.00 1.79 1.74 1.00 0.55 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 98 A 7.53 3.98 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 99 D 8.01 4.33 0.00 2.69 2.71 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 0.00 0.00 0.00 100 L 8.01 3.93 0.00 1.91 1.81 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 101 T 7.93 3.87 4.40 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 0.00 0.00 0.00 1.22 0.00 0.00 102 V 7.55 3.64 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 0.97 0.00 0.00 0.96 0.00 0.00 103 G 8.25 3.68 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 0.00 0.00 0.00 104 A 8.09 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 3.85 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 0.00 106 T 7.83 4.25 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 1.23 0.00 0.00 107 G 7.55 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 0.00 108 E 7.67 4.07 0.00 2.00 1.99 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 2.31 2.25 0.00 109 I 7.34 4.43 1.85 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 1.33 0.59 0.89 0.00 0.00 110 S 8.41 4.37 0.00 4.03 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 0.00 111 V 8.35 3.54 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 1.12 0.00 0.00 0.91 0.00 0.00 112 S 8.01 4.10 0.00 3.89 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 0.00 113 S 7.91 4.10 0.00 3.99 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 0.00 114 V 8.05 3.53 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 1.01 0.00 0.00 0.99 0.00 0.00 115 A 8.24 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.32 4.27 0.00 2.81 2.71 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 0.00 0.00 0.00 117 T 7.67 3.82 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 1.15 0.00 0.00 118 L 8.01 3.90 0.00 1.89 1.83 0.97 0.81 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 0.00 119 R 8.13 3.96 0.00 1.99 2.13 0.00 3.09 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 120 R 7.86 4.08 0.00 2.00 2.01 0.00 3.08 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 121 L 7.61 4.10 0.00 1.61 1.60 0.67 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 122 Y 7.63 4.95 0.00 3.06 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 0.00 123 G 8.34 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 0.00 0.00 0.00 124 S 8.57 4.55 0.00 3.97 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 0.00 125 A 7.71 4.41 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 0.00 126 D 8.64 4.32 0.00 2.65 2.66 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 0.00 0.00 0.00 0.00 127 P 0.00 4.37 0.00 2.08 2.09 0.00 3.72 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 2.03 2.11 0.00 128 L 7.93 4.16 0.00 1.65 1.64 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 129 E 7.91 4.16 0.00 2.06 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 0.00 2.19 1.89 0.00 * Residues marked with a * may have inaccurate shift predictions.