NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0909 7.8833 120.8028 62.0460 39.0266 178.0610 4 C 4.0059 9.0674 123.2319 57.9062 37.9418 174.4740 5 R 3.7584 8.9922 120.2336 59.3774 29.8692 182.7784 6 N 4.5848 8.0777 112.5694 55.4692 38.9307 176.3199 7 R 3.8932 8.9335 119.6056 58.5625 30.2668 176.5760 8 V 3.7521 7.1318 117.2045 60.7658 31.1236 175.8905 9 T 4.1842 8.1165 120.1889 61.3712 68.2681 174.3054 10 N 4.7661 8.5330 119.9076 53.4915 37.4217 176.3801 11 N 4.5309 7.6519 111.9443 54.7250 38.0658 175.9924 12 V 3.9763 8.0842 120.9699 65.0129 32.2363 177.3481 13 K 4.0378 8.2563 119.0925 59.8206 31.6237 178.5922 14 D 4.7123 7.9809 116.1372 54.6837 40.4425 178.4608 15 V 3.5546 8.2985 122.4086 65.8089 31.4582 177.5514 16 T 3.9531 7.8866 107.9628 64.9772 68.4325 175.9731 17 K 4.0212 7.8609 120.7704 58.9351 32.4225 178.4672 18 L 3.7242 7.4740 119.7512 58.5110 41.9183 179.7877 19 V 3.4013 7.9857 118.9130 64.6652 31.1405 178.2511 20 A 4.1127 8.0312 120.4793 53.9361 18.1479 178.2439 21 N 4.7816 7.4420 112.8564 52.0820 39.3807 174.4061 22 L 4.8618 7.1513 120.6919 51.7649 44.2194 174.7021 23 P 4.3289 0.0000 0.0000 62.7673 31.4146 177.3840 24 K 3.9670 8.9117 123.2958 58.1758 32.3631 176.4983 25 D 4.7674 7.8163 115.6526 52.6912 40.3884 175.3909 26 Y 4.4988 8.6527 122.4449 57.0864 37.4450 174.0796 27 M 4.3424 8.2778 126.7200 55.0797 32.7876 176.2271 28 I 3.7076 8.8840 126.3686 61.1271 38.6146 175.3010 29 T 4.9311 8.2800 123.7117 62.5853 69.7269 174.0472 30 L 4.7841 9.8122 128.3313 53.4172 45.9150 175.9185 31 K 4.9244 8.7150 125.9329 54.2815 30.5620 174.2191 32 Y 4.2731 8.3315 122.5768 57.4057 39.4272 175.8467 33 V 3.6292 8.0204 127.9829 61.4603 32.2321 173.5073 34 P 3.9103 0.0000 0.0000 64.1841 31.6207 175.7076 35 G 3.9679 8.8038 106.3472 46.4116 0.0000 175.0784 36 M 3.6690 7.1291 119.9096 57.5833 30.8194 177.6153 37 D 4.3519 7.4018 116.6843 55.2435 39.1405 176.8495 38 V 3.9219 6.8687 120.1021 61.9763 32.2097 175.6225 39 L 4.6954 7.0425 119.2156 55.0354 43.3996 174.1643 40 P 5.0365 0.0000 0.0000 62.8787 29.8036 179.1754 41 S 3.4451 7.2878 109.2207 55.6978 62.5266 173.2821 42 H 4.3710 6.3725 116.8818 56.1774 30.6139 174.6942 43 C 4.3388 7.4085 118.0873 60.8526 28.7603 174.2103 44 W 4.8503 6.6595 114.4940 56.8920 30.0730 177.7209 45 I 3.8050 7.1683 119.3798 64.0267 38.2340 177.0594 46 S 4.1083 8.3014 114.1716 61.8371 62.2690 174.8913 47 E 3.9615 8.3995 122.1724 58.8963 29.2121 178.2621 48 M 3.9220 8.1274 117.9798 58.7435 32.1765 179.1288 49 V 3.5370 8.1981 119.3895 64.8602 31.4419 178.8451 50 V 3.6374 7.7381 119.5181 64.7216 31.4258 177.9373 51 Q 3.9881 8.5247 119.6380 58.7029 28.5726 179.0373 52 L 3.9466 8.6217 120.0865 58.2373 41.6956 179.3592 53 S 4.0990 7.7652 112.6159 61.8235 62.2528 175.4223 54 D 4.5927 7.9497 119.6644 58.4567 40.9028 178.0092 55 S 4.0471 8.4126 114.4399 62.0258 62.8054 176.5254 56 L 3.9543 8.8328 121.1585 58.6762 41.5209 179.9007 57 T 3.8802 8.4694 114.9686 66.8916 68.5168 176.0952 58 D 4.4855 8.3078 120.3589 57.4233 40.9783 178.3003 59 L 4.0055 7.9579 120.8789 58.6167 41.4695 178.9542 60 L 4.0539 8.2716 119.8572 58.0102 41.7284 178.3097 61 D 4.6254 9.0962 118.3223 56.5925 41.2731 177.4472 62 K 4.2696 8.0897 116.8977 56.5289 32.3328 176.3652 63 F 4.8523 7.6285 116.5664 55.6564 42.4640 174.4277 64 S 4.6405 8.3294 117.7251 56.5097 65.2505 173.6361 65 N 4.4097 8.0448 120.9578 53.1636 39.3999 174.2819 66 I 4.3870 8.1669 128.0718 59.9118 38.6593 175.7412 67 S 3.9967 8.1682 125.7873 61.2723 62.6561 171.7031 68 E 4.1461 7.8216 125.6030 59.0040 29.5693 176.7728 69 G 3.6892 8.3566 111.3478 43.2850 0.0000 171.6459 70 L 4.5144 8.3247 120.6579 53.1179 42.2300 176.8833 71 S 4.6254 8.2679 119.5064 57.3720 65.7721 174.5525 72 N 4.1372 8.7959 121.2016 57.2209 38.1258 176.0406 73 Y 3.9973 8.2675 119.6470 61.1065 38.6132 177.7631 74 S 4.1051 8.5982 112.5261 61.7787 62.6954 176.6416 75 I 3.5645 7.7437 121.8590 64.6725 36.9826 178.3362 76 I 3.4943 8.1754 120.3752 64.4003 36.9069 177.6893 77 D 4.1461 8.2634 119.8382 57.7382 40.6963 179.0422 78 K 3.9661 8.4205 118.7305 59.0681 32.1396 179.4287 79 L 4.0580 7.7170 119.5776 57.5156 41.4520 179.4918 80 V 3.5663 8.3500 118.7150 66.1299 31.6797 177.6338 81 N 4.1864 8.3354 116.4105 57.1207 38.5281 176.8250 82 I 3.7040 7.6304 120.9909 64.1542 37.1418 178.5611 83 V 3.5590 8.1041 113.0088 64.7488 31.2886 178.6987 84 D 4.3192 7.9413 117.7175 57.6341 41.1149 178.2924 85 D 4.4805 7.9418 118.6104 56.9915 40.4967 179.1693 86 L 3.9921 7.5108 119.2848 57.4475 41.5235 179.9900 87 V 3.9583 7.5588 113.1011 64.1342 31.4321 175.2542 88 E 4.5226 9.3000 116.7171 55.1915 32.6596 175.1212 89 C 3.9917 8.5819 113.6886 58.9229 42.8740 176.9834 90 V 3.8059 7.9506 122.3500 66.3457 31.1263 178.5247 91 K 4.5838 7.7094 118.2743 57.4303 31.2665 178.6241 92 E 4.9907 7.8078 117.3174 55.2806 31.6951 175.2356 93 N 4.7665 8.3296 115.7242 55.3004 40.6948 175.7137 94 S 4.0689 8.8335 112.9010 61.3027 62.7970 175.6650 95 S 3.7277 7.6144 114.9343 59.7930 60.5889 171.6812 96 K 4.7155 7.5275 118.2811 55.5626 32.3409 175.5482 97 D 4.7396 7.6915 115.8510 53.7773 41.3582 178.0528 98 L 4.2242 7.8409 119.9069 54.5319 39.4133 175.0503 99 K 4.2033 7.7085 125.7267 57.3869 31.6718 176.8164 100 K 4.5684 8.3179 123.1334 54.8964 37.6458 172.2735 101 S 4.7804 8.0940 113.9188 57.2882 63.5420 175.0410 *102 F 4.6168 7.5235 132.7631 55.6899 39.5414 176.4753 103 K 3.7954 8.1752 113.3627 61.6374 29.4747 175.9083 104 S 3.8362 7.4234 112.4586 56.9235 63.3112 173.3699 105 P 4.2885 0.0000 0.0000 62.4701 31.6315 174.9995 106 E 4.6983 8.4224 118.4383 54.6688 31.3493 174.3073 107 P 4.7591 0.0000 0.0000 63.1465 32.3448 175.6600 108 R 4.7374 9.4968 120.5630 54.5864 34.9527 173.8008 109 L 5.0702 8.0782 120.5571 53.5837 43.4517 176.1720 110 F 5.2122 9.5754 121.3751 55.6783 43.7651 174.6139 111 T 4.3599 8.9007 112.4321 60.5550 69.6644 173.7616 112 P 4.4201 0.0000 0.0000 66.5468 30.8252 178.3384 113 E 4.0597 8.2588 118.2568 59.1463 29.7673 178.1795 114 E 3.9568 8.2808 118.6363 59.4847 29.5469 178.8134 115 F 3.5199 8.3795 120.4748 61.6019 39.3551 177.2990 116 F 3.8538 8.6500 116.2556 59.4229 38.5558 177.8125 117 R 3.8930 7.8389 119.1609 59.4302 29.8811 178.1669 118 I 3.4589 7.4744 119.5079 64.5369 37.1602 177.9021 119 F 3.7173 7.7358 121.2185 61.4571 38.9552 177.1099 120 N 4.2503 8.3797 115.8965 56.2616 38.4542 177.1357 121 R 4.1232 7.9746 121.6484 59.0998 29.8761 178.5128 122 S 4.3021 7.9469 113.6073 61.8801 62.9255 176.5976 123 I 3.6387 7.2259 121.8922 64.1982 36.2783 178.1920 124 D 4.4052 8.2573 119.6844 57.0859 40.3657 178.2762 125 A 4.1253 7.8703 120.8028 56.8166 18.9489 177.9989 126 F 4.2501 8.6025 118.6458 57.9101 40.3363 177.3856 127 K 4.2914 9.6180 121.6217 59.4923 31.4684 176.6726 128 D 4.7782 8.3684 117.4185 51.9952 41.0872 179.7467 129 F 4.9769 7.7191 122.6953 56.4581 42.2804 175.3908 130 V 3.4979 6.5243 116.9912 61.5081 31.3333 176.3147 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 3 I 7.88 4.09 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.73 1.20 0.00 0.00 4 C 9.07 4.01 0.00 3.86 3.42 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 0.00 5 R 8.99 3.76 0.00 1.72 1.97 0.00 3.26 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 6 N 8.08 4.58 0.00 2.73 2.92 0.00 0.00 6.85 7.66 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 7 R 8.93 3.89 0.00 1.61 1.95 0.00 3.29 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.56 0.00 8 V 7.13 3.75 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 0.71 0.00 0.00 0.87 0.00 0.00 9 T 8.12 4.18 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 1.21 0.00 0.00 10 N 8.53 4.77 0.00 3.00 3.03 0.00 0.00 5.94 6.96 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 11 N 7.65 4.53 0.00 2.80 2.88 0.00 0.00 6.82 7.56 0.00 0.00 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 V 8.08 3.98 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 0.98 0.00 0.00 1.00 0.00 0.00 13 K 8.26 4.04 0.00 1.86 1.87 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.66 7.81 14 D 7.98 4.71 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.30 3.55 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 1.02 0.00 0.00 1.01 0.00 0.00 16 T 7.89 3.95 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 1.21 0.00 0.00 17 K 7.86 4.02 0.00 1.74 1.81 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.45 7.81 18 L 7.47 3.72 0.00 1.48 1.45 0.60 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.99 3.40 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 0.70 0.00 0.00 0.92 0.00 0.00 20 A 8.03 4.11 1.37 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 21 N 7.44 4.78 0.00 2.68 2.86 0.00 0.00 6.83 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 22 L 7.15 4.86 0.00 1.71 1.74 0.92 1.17 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 23 P 0.00 4.33 0.00 2.44 2.20 0.00 3.84 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.88 0.00 24 K 8.91 3.97 0.00 1.80 1.97 0.00 1.71 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.49 7.81 25 D 7.82 4.77 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.65 4.50 0.00 2.81 3.12 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 27 M 8.28 4.34 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 28 I 8.88 3.71 1.80 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.44 -0.16 0.00 0.00 29 T 8.28 4.93 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 1.27 0.00 0.00 30 L 9.81 4.78 0.00 1.80 1.53 0.46 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.71 4.92 0.00 1.75 1.82 0.00 1.90 0.00 0.00 1.49 0.00 0.00 2.73 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.55 1.34 7.81 32 Y 8.33 4.27 0.00 3.15 3.05 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 33 V 8.02 3.63 1.75 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 0.88 0.00 0.00 0.92 0.00 0.00 34 P 0.00 3.91 0.00 2.20 2.17 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 35 G 8.80 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 0.00 0.00 0.00 36 M 7.13 3.67 0.00 0.57 0.57 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.32 0.00 37 D 7.40 4.35 0.00 2.91 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 38 V 6.87 3.92 2.24 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 0.85 0.00 0.00 0.96 0.00 0.00 39 L 7.04 4.70 0.00 1.78 1.66 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 5.04 0.00 1.71 1.06 0.00 3.77 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 1.54 1.69 0.00 41 S 7.29 3.45 0.00 3.60 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 42 H 6.37 4.37 0.00 3.02 3.24 0.00 5.68 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 C 7.41 4.34 0.00 2.85 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 44 W 6.66 4.85 0.00 3.35 3.19 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 0.00 45 I 7.17 3.81 1.49 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 1.26 0.81 0.00 0.00 46 S 8.30 4.11 0.00 3.97 3.88 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 47 E 8.40 3.96 0.00 2.20 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 2.34 2.43 0.00 48 M 8.13 3.92 0.00 2.02 2.29 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 49 V 8.20 3.54 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 1.09 0.00 0.00 0.90 0.00 0.00 50 V 7.74 3.64 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 0.87 0.00 0.00 0.96 0.00 0.00 51 Q 8.52 3.99 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.70 0.00 0.00 0.00 0.00 0.00 2.53 2.75 0.00 52 L 8.62 3.95 0.00 1.87 1.84 0.90 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.77 4.10 0.00 3.87 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 54 D 7.95 4.59 0.00 2.89 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 55 S 8.41 4.05 0.00 4.29 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 56 L 8.83 3.95 0.00 1.94 1.77 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.47 3.88 4.59 0.00 0.00 0.00 0.00 0.00 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 58 D 8.31 4.49 0.00 2.87 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 59 L 7.96 4.01 0.00 1.72 2.01 0.89 0.71 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 60 L 8.27 4.05 0.00 1.82 1.85 0.45 0.81 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 61 D 9.10 4.63 0.00 2.66 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 62 K 8.09 4.27 0.00 1.96 1.63 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.94 1.86 7.81 63 F 7.63 4.85 0.00 3.13 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 64 S 8.33 4.64 0.00 3.78 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 65 N 8.04 4.41 0.00 2.12 2.52 0.00 0.00 6.87 7.94 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 66 I 8.17 4.39 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.79 0.95 0.00 0.00 67 S 8.17 4.00 0.00 3.63 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 68 E 7.82 4.15 0.00 1.98 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 2.23 1.87 0.00 69 G 8.36 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 70 L 8.32 4.51 0.00 1.62 1.61 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.27 4.63 0.00 4.16 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 72 N 8.80 4.14 0.00 2.59 2.31 0.00 0.00 6.62 7.48 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 73 Y 8.27 4.00 0.00 3.24 2.97 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 74 S 8.60 4.11 0.00 4.03 4.03 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 75 I 7.74 3.56 1.85 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.89 0.79 0.00 0.00 76 I 8.18 3.49 1.77 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.33 0.80 0.00 0.00 77 D 8.26 4.15 0.00 1.86 2.48 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 78 K 8.42 3.97 0.00 1.78 1.81 0.00 1.53 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.49 7.81 79 L 7.72 4.06 0.00 1.76 1.58 0.59 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.35 3.57 2.24 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 1.08 0.00 0.00 0.92 0.00 0.00 81 N 8.34 4.19 0.00 2.74 2.88 0.00 0.00 7.15 7.99 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 82 I 7.63 3.70 2.11 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.06 0.83 0.00 0.00 83 V 8.10 3.56 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 0.98 0.00 0.00 1.05 0.00 0.00 84 D 7.94 4.32 0.00 2.87 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.94 4.48 0.00 2.91 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 86 L 7.51 3.99 0.00 1.66 1.34 0.08 0.32 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 87 V 7.56 3.96 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 0.81 0.00 0.00 0.99 0.00 0.00 88 E 9.30 4.52 0.00 1.97 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 2.20 2.35 0.00 89 C 8.58 3.99 0.00 3.29 3.43 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 90 V 7.95 3.81 2.28 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 1.17 0.00 0.00 0.95 0.00 0.00 91 K 7.71 4.58 0.00 1.92 1.68 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.31 7.81 92 E 7.81 4.99 0.00 1.88 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 0.00 2.20 2.25 0.00 93 N 8.33 4.77 0.00 3.03 2.90 0.00 0.00 7.12 7.26 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 94 S 8.83 4.07 0.00 4.04 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 95 S 7.61 3.73 0.00 4.00 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 96 K 7.53 4.72 0.00 1.69 1.66 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.31 7.81 97 D 7.69 4.74 0.00 2.67 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 98 L 7.84 4.22 0.00 1.79 1.70 0.91 0.54 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 99 K 7.71 4.20 0.00 1.78 1.81 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.50 7.81 100 K 8.32 4.57 0.00 1.72 1.64 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 0.97 7.81 101 S 8.09 4.78 0.00 3.93 3.88 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 *102 F 7.52 4.62 0.00 2.27 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.18 3.80 0.00 1.88 1.89 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.45 7.81 104 S 7.42 3.84 0.00 3.93 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 0.00 105 P 0.00 4.29 0.00 2.17 2.22 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 106 E 8.42 4.70 0.00 1.92 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 2.37 2.26 0.00 107 P 0.00 4.76 0.00 2.11 2.09 0.00 3.73 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 2.01 2.02 0.00 108 R 9.50 4.74 0.00 1.92 1.43 0.00 3.19 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.80 0.00 109 L 8.08 5.07 0.00 1.36 1.48 0.87 0.72 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 0.00 110 F 9.58 5.21 0.00 2.94 2.97 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 0.00 111 T 8.90 4.36 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 1.30 0.00 0.00 112 P 0.00 4.42 0.00 2.41 2.54 0.00 3.77 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 113 E 8.26 4.06 0.00 2.13 2.05 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 2.44 2.47 0.00 114 E 8.28 3.96 0.00 2.32 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 0.00 2.40 2.42 0.00 115 F 8.38 3.52 0.00 3.04 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 0.00 116 F 8.65 3.85 0.00 3.44 3.18 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 0.00 117 R 7.84 3.89 0.00 2.22 1.95 0.00 3.19 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 118 I 7.47 3.46 1.48 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.35 0.57 0.00 0.00 119 F 7.74 3.72 0.00 2.48 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 0.00 120 N 8.38 4.25 0.00 3.16 2.88 0.00 0.00 6.61 7.32 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 0.00 121 R 7.97 4.12 0.00 1.82 1.98 0.00 3.15 0.00 0.00 3.22 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 122 S 7.95 4.30 0.00 3.72 3.88 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 0.00 123 I 7.23 3.64 1.63 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.86 0.81 0.00 0.00 124 D 8.26 4.41 0.00 2.95 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 0.00 125 A 7.87 4.13 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 0.00 126 F 8.60 4.25 0.00 3.15 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 0.00 127 K 9.62 4.29 0.00 1.99 2.02 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.40 7.81 128 D 8.37 4.78 0.00 2.59 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 0.00 129 F 7.72 4.98 0.00 2.48 2.78 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 0.00 130 V 6.52 3.50 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 0.40 0.00 0.00 0.03 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.