NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4383 8.3049 120.3451 55.3139 33.2132 174.5416 1A I 4.4687 8.2646 126.4415 59.0226 40.3912 173.2262 2 Q 4.9734 9.4668 124.0873 54.1989 33.1233 174.4949 3 R 4.7475 9.0165 122.4109 54.5252 33.2600 175.4195 4 T 4.6518 8.9455 120.8935 61.9782 69.4587 172.7329 5 P 4.8025 0.0000 0.0000 63.0082 32.4508 175.5193 6 K 4.6530 9.2668 122.9506 55.2020 33.9295 175.6104 7 I 5.2080 8.2920 124.4039 59.0790 40.6102 175.3421 8 Q 4.6734 8.6490 123.0225 55.0818 32.9994 173.4649 9 V 4.9499 8.4199 124.6574 61.5765 33.6138 174.1810 10 Y 5.1869 8.2787 123.6747 56.6898 41.4596 173.2938 11 S 4.8376 9.2016 115.6553 57.5286 64.6048 174.2661 12 R 4.1509 9.3209 121.8385 59.2818 30.0598 176.3763 13 H 5.2057 8.2502 112.9456 52.7766 32.0493 171.8083 14 P 4.3903 0.0000 0.0000 62.2846 31.6819 176.4203 15 A 4.1325 8.9960 124.9967 53.2251 18.4366 177.2428 16 E 4.5355 8.2801 123.1883 53.6511 30.2923 172.5523 17 N 4.2018 7.9896 119.1259 52.9674 39.2486 175.8793 18 G 4.0102 8.6975 114.8878 46.0535 0.0000 174.4512 19 K 4.2310 9.2685 121.2826 52.8856 32.2978 180.8121 20 S 4.1110 8.3076 119.0858 58.3649 63.3404 173.4336 21 N 4.7526 8.0716 120.9503 53.6424 43.5355 172.3282 22 F 5.1526 9.0724 115.9344 56.3512 43.8555 173.6689 23 L 3.9175 9.2424 127.0205 53.8687 43.6293 174.9967 24 N 5.3365 8.2038 121.8206 51.4336 42.8410 172.3538 25 C 5.3023 9.5915 123.2421 54.8776 43.0319 171.7618 26 Y 5.2945 9.3149 127.7168 56.1595 41.0957 174.2462 27 V 4.9129 8.3784 121.0059 59.8820 34.3429 175.4537 28 S 5.1471 9.1226 118.4361 57.0973 67.2064 173.9365 29 G 4.7017 8.5112 105.3246 47.4369 0.0000 173.3527 30 F 5.7438 7.5662 113.0401 54.8347 41.2144 173.9501 31 H 5.2381 8.6798 118.6671 54.8740 33.2693 171.4082 32 P 5.1765 0.0000 0.0000 61.6547 33.2592 176.9787 33 S 4.2802 8.5261 113.2783 59.7247 62.6664 173.9432 34 D 4.5824 7.7257 122.5697 54.0946 41.0867 175.4791 35 I 4.6899 8.0193 123.0753 59.7136 41.3423 173.2561 36 E 4.5968 8.9011 127.9509 54.5382 31.8693 175.1688 37 V 4.7533 7.9244 123.6887 61.0672 34.2663 174.0472 38 D 4.9007 9.3976 128.1715 52.3786 44.5297 174.8103 39 L 4.9851 8.4002 122.6288 53.7663 43.4932 175.3940 40 L 5.0964 10.0220 124.0839 52.9098 45.0110 175.6522 41 K 4.1610 9.0094 124.5233 54.1590 33.6146 175.3532 42 N 4.1243 9.3515 128.4523 54.0119 36.0137 175.8424 43 G 4.1176 8.1679 106.9611 45.8542 0.0000 173.6944 44 E 4.1491 7.6247 120.1136 55.5619 30.3504 175.1436 45 R 4.7565 8.2182 120.8623 54.9501 30.7156 176.1111 46 I 3.8441 8.4597 126.2468 61.5543 36.5054 176.3050 47 E 4.2666 8.8369 126.6360 54.9848 32.0414 176.2233 48 K 3.6864 8.5177 116.1248 57.6652 29.5466 176.1628 49 V 3.9542 6.9526 115.4258 62.8616 32.6960 174.1409 50 E 4.7852 8.4814 121.7550 55.0358 34.2754 174.0313 51 H 5.8529 8.2328 115.2951 54.8657 31.8922 172.3359 52 S 4.7083 8.3129 113.8958 56.9342 65.3232 173.1799 53 D 4.5358 8.4978 119.9707 53.3651 41.0693 176.2244 54 L 3.8689 8.4698 125.4904 56.0315 42.4640 176.0800 55 S 4.7221 8.3640 118.3982 56.7684 66.4709 172.1055 56 F 5.2184 7.7839 118.2641 55.3934 41.4765 173.1236 57 S 5.0219 8.9842 113.4942 56.2407 65.3016 174.3128 58 K 3.6379 8.6261 120.0877 59.4037 31.8982 177.4123 59 D 4.5254 7.8630 116.4597 52.5151 39.4747 176.6903 60 W 3.6027 7.5586 116.7819 57.8218 27.7858 174.6856 61 S 4.2992 8.0785 113.9745 58.3280 64.1427 173.6033 62 F 5.0952 8.3609 120.5409 56.6148 41.4816 174.3548 63 Y 5.3979 8.4876 117.7988 56.0893 41.6538 173.8531 64 L 5.0150 9.1663 119.9100 53.4531 47.2128 174.4164 65 L 5.2797 9.1290 123.6927 53.7473 44.8685 174.5948 66 Y 5.3097 9.3038 124.8164 56.7948 40.4964 174.4316 67 Y 5.2190 8.8135 120.4061 56.9619 41.9937 173.0454 68 T 4.8761 8.4632 113.0763 60.8058 71.4915 172.0028 69 E 4.2144 8.7914 127.7515 56.0132 30.5020 175.5205 70 F 4.8602 8.7768 120.5465 56.4171 42.2343 173.3203 71 T 4.1896 8.0932 115.4680 60.0754 69.8535 172.0301 72 P 4.3243 0.0000 0.0000 63.4445 32.4792 175.3922 73 T 5.3064 8.3273 114.9115 61.9626 72.5604 173.9497 74 E 4.0862 8.8518 126.6428 59.6597 30.1603 179.2733 *75 K 4.1246 8.1517 119.4519 57.3017 32.1413 180.9245 76 D 4.3786 8.1746 118.4478 54.8944 41.2298 175.7877 77 E 4.6860 8.6428 123.4777 55.4143 30.5129 174.7105 78 Y 5.4412 8.9232 121.3549 56.6410 41.4492 174.4663 79 A 5.0049 8.9771 122.8989 51.5831 23.8709 173.8689 80 C 4.9754 9.2960 118.3050 54.9283 45.3703 172.7246 81 R 5.1592 9.6361 126.6067 54.4964 32.8545 174.2197 82 V 4.8978 8.8749 125.6448 61.1428 35.1223 173.5479 83 N 5.3210 9.3060 126.2169 52.3289 41.6942 172.3802 84 H 4.8603 8.6933 121.3481 55.3191 32.8481 174.5310 85 V 3.7663 8.6230 125.1795 65.2483 30.9018 177.7703 86 T 3.9259 8.1737 109.5132 62.4866 68.5973 172.9570 87 L 4.7294 8.9362 123.6285 53.0960 42.4312 176.2023 88 S 4.2797 8.8000 119.7688 60.7965 62.7397 174.6009 89 Q 4.5910 7.5554 115.9518 52.5527 31.5379 172.1394 90 P 4.5198 0.0000 0.0000 63.3169 31.9027 175.2911 91 K 4.6208 8.6459 122.7934 55.0059 34.5620 174.9978 92 I 5.5441 8.1893 126.1175 58.5952 40.3069 174.9844 93 V 4.4994 8.2992 119.9530 59.2237 34.4359 175.4205 94 K 4.6830 8.7796 125.2108 55.9342 32.8610 176.7762 95 W 4.5580 10.2949 134.5359 57.6447 31.7812 175.8451 96 D 4.2623 8.1471 125.0383 51.5040 41.1360 176.0850 97 R 3.6469 6.3288 121.9022 58.4953 29.7853 177.3232 98 D 4.7608 7.8070 117.3800 54.4201 40.6922 176.2682 99 M 4.3447 8.4040 125.8529 55.9652 33.3161 174.5305 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 8.30 4.44 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.64 0.00 1A I 8.26 4.47 1.80 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 1.37 0.37 0.91 0.00 0.00 2 Q 9.47 4.97 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 3 R 9.02 4.75 0.00 1.96 2.04 0.00 3.20 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 4 T 8.95 4.65 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 5 P 0.00 4.80 0.00 1.91 1.61 0.00 3.70 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.74 0.00 6 K 9.27 4.65 0.00 1.93 1.87 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.50 7.81 7 I 8.29 5.21 1.94 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 1.36 1.48 0.97 0.00 0.00 8 Q 8.65 4.67 0.00 2.42 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 9 V 8.42 4.95 2.36 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 0.88 0.00 0.00 1.08 0.00 0.00 10 Y 8.28 5.19 0.00 3.11 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 11 S 9.20 4.84 0.00 4.24 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 12 R 9.32 4.15 0.00 1.84 2.24 0.00 3.11 0.00 0.00 3.07 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.47 0.00 13 H 8.25 5.21 0.00 3.37 3.18 0.00 5.76 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 P 0.00 4.39 0.00 2.11 2.07 0.00 3.79 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 2.08 2.17 0.00 15 A 9.00 4.13 1.70 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 16 E 8.28 4.54 0.00 2.01 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 0.00 2.25 2.35 0.00 17 N 7.99 4.20 0.00 2.81 2.72 0.00 0.00 6.99 7.69 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 18 G 8.70 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 0.00 0.00 0.00 19 K 9.27 4.23 0.00 1.79 1.62 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.70 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.36 1.24 7.81 20 S 8.31 4.11 0.00 3.72 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 21 N 8.07 4.75 0.00 2.60 2.61 0.00 0.00 7.19 7.83 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 22 F 9.07 5.15 0.00 2.98 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 23 L 9.24 3.92 0.00 0.27 0.82 -0.03 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.20 5.34 0.00 1.44 1.95 0.00 0.00 6.30 7.77 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 25 C 9.59 5.30 0.00 2.91 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 26 Y 9.31 5.29 0.00 3.32 3.14 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 0.00 27 V 8.38 4.91 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 0.66 0.00 0.00 1.17 0.00 0.00 28 S 9.12 5.15 0.00 4.00 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 29 G 8.51 4.70 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 0.00 30 F 7.57 5.74 0.00 3.02 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 31 H 8.68 5.24 0.00 3.31 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 5.18 0.00 2.20 2.29 0.00 3.84 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 33 S 8.53 4.28 0.00 3.46 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 34 D 7.73 4.58 0.00 2.62 2.62 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 35 I 8.02 4.69 1.64 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 1.02 0.56 0.89 0.00 0.00 36 E 8.90 4.60 0.00 1.86 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 0.00 2.15 2.15 0.00 37 V 7.92 4.75 0.67 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 0.45 0.00 0.00 0.63 0.00 0.00 38 D 9.40 4.90 0.00 2.46 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.40 4.99 0.00 1.57 1.55 0.86 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 40 L 10.02 5.10 0.00 1.69 1.53 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.01 4.16 0.00 1.69 1.58 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.07 0.69 7.81 42 N 9.35 4.12 0.00 2.80 2.83 0.00 0.00 7.00 7.20 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 43 G 8.17 4.12 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 0.00 0.00 0.00 44 E 7.62 4.15 0.00 2.03 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 2.29 2.23 0.00 45 R 8.22 4.76 0.00 1.82 1.90 0.00 3.22 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 46 I 8.46 3.84 1.88 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.64 0.93 0.00 0.00 47 E 8.84 4.27 0.00 1.92 1.89 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 2.36 2.33 0.00 48 K 8.52 3.69 0.00 1.86 1.86 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.46 7.81 49 V 6.95 3.95 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 0.86 0.00 0.00 0.96 0.00 0.00 50 E 8.48 4.79 0.00 1.16 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 2.04 2.04 0.00 51 H 8.23 5.85 0.00 2.23 2.07 0.00 5.32 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.31 4.71 0.00 3.95 3.99 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 53 D 8.50 4.54 0.00 2.70 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 54 L 8.47 3.87 0.00 1.58 1.61 0.74 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.36 4.72 0.00 3.81 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 56 F 7.78 5.22 0.00 2.94 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.98 5.02 0.00 3.98 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 0.00 58 K 8.63 3.64 0.00 1.62 1.76 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.18 1.29 7.81 59 D 7.86 4.53 0.00 2.82 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 60 W 7.56 3.60 0.00 3.33 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 61 S 8.08 4.30 0.00 4.00 4.12 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 62 F 8.36 5.10 0.00 1.75 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 63 Y 8.49 5.40 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.17 5.01 0.00 1.75 1.47 1.18 0.29 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 65 L 9.13 5.28 0.00 1.99 1.59 1.13 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 66 Y 9.30 5.31 0.00 3.02 2.88 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 0.00 0.00 0.00 0.00 67 Y 8.81 5.22 0.00 3.15 3.02 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 68 T 8.46 4.88 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 1.09 0.00 0.00 69 E 8.79 4.21 0.00 1.76 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 0.00 2.07 2.04 0.00 70 F 8.78 4.86 0.00 2.98 2.69 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 71 T 8.09 4.19 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 1.10 0.00 0.00 72 P 0.00 4.32 0.00 2.22 2.33 0.00 3.04 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.71 0.00 73 T 8.33 5.31 4.52 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 1.37 0.00 0.00 74 E 8.85 4.09 0.00 1.95 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 2.30 2.31 0.00 *75 K 8.15 4.12 0.00 1.82 1.70 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.36 1.03 7.81 76 D 8.17 4.38 0.00 2.90 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 77 E 8.64 4.69 0.00 1.85 1.88 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 0.00 2.36 2.29 0.00 78 Y 8.92 5.44 0.00 3.24 2.87 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 A 8.98 5.00 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 80 C 9.30 4.98 0.00 2.97 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 81 R 9.64 5.16 0.00 1.74 1.66 0.00 3.18 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 82 V 8.87 4.90 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 0.73 0.00 0.00 0.82 0.00 0.00 83 N 9.31 5.32 0.00 2.58 2.53 0.00 0.00 6.49 7.77 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 84 H 8.69 4.86 0.00 3.05 2.99 0.00 5.76 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.62 3.77 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 0.75 0.00 0.00 0.98 0.00 0.00 86 T 8.17 3.93 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 1.35 0.00 0.00 87 L 8.94 4.73 0.00 1.78 1.84 0.91 0.83 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 88 S 8.80 4.28 0.00 3.97 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 89 Q 7.56 4.59 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.98 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 90 P 0.00 4.52 0.00 2.07 2.07 0.00 3.73 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 91 K 8.65 4.62 0.00 1.87 1.67 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.41 7.81 92 I 8.19 5.54 1.89 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 1.35 0.85 0.96 0.00 0.00 93 V 8.30 4.50 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 1.03 0.00 0.00 94 K 8.78 4.68 0.00 1.71 1.84 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.49 7.81 95 W 10.29 4.56 0.00 3.32 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 96 D 8.15 4.26 0.00 2.57 2.40 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 0.00 97 R 6.33 3.65 0.00 1.84 1.43 0.00 2.92 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.40 0.00 98 D 7.81 4.76 0.00 2.83 2.69 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 99 M 8.40 4.34 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 * Residues marked with a * may have inaccurate shift predictions.