NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.7469 8.3649 120.3350 53.3130 40.5067 174.2853 6 F 4.5042 8.4697 122.9218 55.2050 42.8138 170.5715 7 E 3.8201 9.2553 122.0321 59.7825 30.6049 174.8730 8 E 3.8425 8.3504 130.3308 55.6824 27.7859 171.9487 9 K 4.7248 9.3393 127.5842 54.3973 35.6496 174.5065 10 M 4.5471 8.6337 125.0142 54.6673 31.7539 175.8047 11 I 3.8458 8.6531 126.2209 63.5889 37.2121 175.9431 12 L 4.8727 7.5288 121.4650 53.6842 46.3154 174.2487 13 I 5.1969 8.0210 121.5679 60.0166 41.4082 174.6078 14 R 4.5174 8.8583 121.2550 55.0807 33.3015 174.2339 15 R 4.6356 8.4979 121.8539 55.6458 30.2091 175.3872 16 T 4.5736 8.2911 120.7919 61.9729 69.8037 171.5228 17 A 4.7129 7.7570 120.9159 54.3028 21.9388 175.9126 18 R 4.3777 7.8994 108.8715 56.5189 31.6802 173.4365 19 M 4.6298 8.4966 120.6401 54.4139 34.2251 176.0564 20 Q 4.0953 9.3314 120.2978 56.6967 31.6087 173.0431 21 A 3.7397 7.8881 127.5334 50.9526 19.4597 177.1967 22 G 3.9135 8.3878 110.7841 44.5603 0.0000 173.7606 23 G 3.9630 6.2641 106.4778 44.7261 0.0000 170.7873 24 R 4.9473 7.8594 115.9690 54.3272 31.0538 175.6206 25 R 4.5022 8.2493 120.7403 54.3509 33.6570 174.7944 26 F 5.0085 8.7653 118.6251 55.9401 42.4475 174.5861 27 R 4.6908 8.4776 118.8665 54.8528 34.2155 173.3880 28 F 5.7708 9.4054 121.9072 55.8203 42.5757 174.5765 29 G 5.0021 9.0158 108.8006 44.7062 0.0000 171.9976 30 A 5.2026 9.4916 123.7350 49.9767 23.1089 174.6100 31 L 4.7059 9.1205 125.3043 53.2470 44.3675 175.4205 32 V 4.8032 8.6483 125.3611 61.0956 35.3846 174.0394 33 V 4.8289 9.1706 126.9224 61.2454 34.7313 174.6554 34 V 4.6351 8.4213 126.0722 61.9027 35.0854 173.8587 35 G 4.7712 8.5452 114.7204 45.3715 0.0000 171.6621 36 D 4.9387 8.6559 116.5406 52.0079 40.7978 175.8430 37 R 4.0725 8.5654 117.7266 57.4429 27.8310 176.6391 38 Q 4.5269 9.4520 116.3412 54.7100 30.7238 175.6991 39 G 4.7580 8.2842 108.5044 45.3880 0.0000 173.9285 40 R 5.4209 8.1375 118.4333 54.9225 34.4773 175.0365 41 V 4.9009 8.5006 116.4920 59.5997 36.6492 174.5688 42 G 4.6531 9.2657 110.3208 44.1123 0.0000 171.3183 43 L 5.2612 8.3432 122.8428 52.9176 45.0359 175.9114 44 G 4.3258 8.8078 111.8734 44.8147 0.0000 170.9332 45 F 5.5181 9.0804 126.4129 56.4463 41.4094 174.9835 46 G 4.5124 10.2001 113.0009 44.6683 0.0000 171.3827 47 K 5.3701 8.7349 125.0504 55.1293 34.0155 175.8344 48 A 4.5633 9.3886 123.5991 50.6412 22.9094 175.6219 49 P 4.1447 0.0000 0.0000 64.0825 31.8864 176.5492 50 E 4.7358 7.8426 116.3596 54.0839 33.5053 175.4763 51 V 3.7337 9.0637 117.4247 65.4382 31.7226 176.5264 52 P 3.9919 0.0000 0.0000 66.5473 31.2153 177.9322 53 L 3.9809 8.0826 116.6040 58.3018 42.0172 179.6165 54 A 4.1102 8.3234 120.3751 55.3064 18.4019 179.4969 55 V 3.5287 8.3065 117.1110 66.2508 31.4964 177.6132 56 Q 3.9602 8.0811 118.7987 59.4176 28.9333 178.4694 57 K 3.7338 8.6621 120.3810 60.4323 32.1524 177.3703 58 A 4.4005 8.9924 121.0937 54.0161 18.0657 179.4313 59 G 4.0570 8.4565 103.6039 47.5069 0.0000 174.3522 60 Y 4.2655 8.1085 120.9407 60.8730 38.9981 177.2979 61 Y 3.9619 7.8132 117.1392 61.7790 37.8483 177.8305 62 A 3.9758 8.4175 120.2044 55.3054 18.0168 179.5556 63 R 3.6496 8.0223 118.1921 59.0045 30.6752 178.8234 64 R 4.3107 7.3648 115.4524 56.4848 30.3941 175.9485 65 N 4.7172 9.8832 117.2585 52.0655 40.6013 172.3472 66 M 5.2773 7.9841 126.6467 54.0439 35.6666 175.1058 67 V 4.3196 7.5371 113.8882 61.4904 34.1102 171.4068 68 E 4.5494 9.0144 122.9249 56.2496 30.5163 176.6849 69 V 4.1411 8.1190 125.0582 59.7752 31.7070 170.9682 70 P 4.2317 0.0000 0.0000 62.6296 31.6315 175.7439 71 L 4.9427 8.2125 124.3936 52.9256 41.0287 177.5819 72 Q 4.0911 8.1537 126.2923 54.4789 27.2914 171.0525 73 N 4.0208 7.7423 124.9329 54.2096 38.7322 173.7422 74 G 4.1226 8.5810 111.8409 46.3733 0.0000 172.2894 75 T 4.6473 8.3413 118.0977 60.4961 70.7863 172.2956 76 I 4.3412 7.9525 123.4223 59.0401 38.6789 173.0688 77 P 4.3752 0.0000 0.0000 65.9348 31.4218 176.2324 78 H 5.2601 7.7034 117.0769 53.1409 31.7083 170.6809 79 E 5.5786 9.2159 116.1229 54.3760 31.5098 175.6268 80 I 4.8052 8.2176 116.5595 59.0338 41.6952 173.6317 81 E 5.6205 8.7458 122.2598 53.7940 32.5512 175.2939 82 V 4.4297 8.4562 123.5874 60.9358 34.8690 173.7585 83 E 4.6156 8.9294 128.1707 54.5914 30.5418 175.2383 84 F 4.7977 9.0175 130.7260 57.0166 40.3433 178.2898 85 G 3.6241 8.5917 121.1124 46.4783 0.0000 173.4393 86 A 4.4119 8.8488 131.1951 52.5278 20.6953 178.1184 87 S 5.3228 7.8175 112.4750 57.0727 64.8570 173.4848 88 K 5.1920 8.7957 123.0243 55.3252 36.2834 174.5297 89 I 5.1317 8.5649 122.8018 59.6820 42.3077 173.7432 90 V 4.6818 8.2730 119.1212 59.5102 34.9733 174.7719 91 L 4.8063 9.1385 125.6511 52.9233 43.9417 175.0901 92 K 4.8295 9.0965 127.1673 53.4327 33.9707 173.6166 93 P 4.7276 0.0000 0.0000 63.0306 31.8219 175.4735 94 A 4.9349 8.0430 122.2360 49.8307 21.9018 176.0636 95 A 4.1628 8.5878 122.0354 50.8905 19.3865 175.6163 96 P 4.9380 0.0000 0.0000 62.1468 32.3097 176.4914 97 G 4.2094 8.7436 104.8281 46.9149 0.0000 174.7323 98 T 3.9591 7.9024 117.6029 64.5823 68.7553 175.6034 99 G 4.1913 8.2962 108.2331 44.5754 0.0000 173.7214 100 V 4.0774 8.1012 122.3416 62.3628 31.1882 174.5802 101 I 4.3165 8.0341 121.9665 59.9946 39.1318 175.0254 102 A 4.4530 8.0805 127.4647 51.5584 22.2542 175.3601 103 G 3.7963 8.5300 106.5262 45.2649 0.0000 175.1485 104 A 3.8233 8.1548 121.4133 55.1596 18.5667 180.0732 105 V 3.5225 7.8134 116.1608 65.5199 31.9375 176.3201 106 P 4.2414 0.0000 0.0000 65.9353 30.8510 177.6284 107 R 3.9829 8.4473 118.9770 58.7881 29.9058 178.5407 108 A 3.8498 8.1418 121.8937 54.4324 18.8941 178.9914 109 I 4.0709 7.4491 118.1958 63.8097 37.8943 178.2647 110 L 4.0820 7.7102 119.2739 57.2842 41.2417 179.4130 111 E 4.0307 8.3513 118.2141 59.2022 29.9940 178.7576 112 L 4.0877 7.8432 119.3348 55.6390 42.2936 179.1494 113 A 3.9324 7.8793 122.5548 54.8831 18.5306 178.5811 114 G 4.0589 7.8434 105.1243 45.8214 0.0000 173.6401 115 V 4.5734 7.4215 118.7504 61.1664 33.6086 175.5623 116 T 4.3946 9.8402 120.3665 63.8675 70.8259 172.8781 117 D 4.9729 7.8703 120.5644 52.6007 43.2849 174.7590 118 I 4.6307 8.0635 122.6865 59.3985 42.1968 172.9955 119 L 5.0645 9.0861 128.7529 53.2910 43.7460 175.7184 120 T 5.6270 8.0065 112.7329 59.8235 72.2796 173.2153 121 K 4.4940 8.2033 121.5481 55.4471 35.8762 174.0888 122 E 4.6026 8.8896 127.5067 55.9082 30.2483 175.8002 123 L 4.6403 8.9716 125.1339 53.3179 44.7970 175.7725 124 G 4.0340 9.0187 108.6373 44.9761 0.0000 174.7749 125 S 4.2463 9.4500 120.6018 58.1524 62.4827 174.3564 126 R 4.4587 8.5113 126.0524 56.1420 30.1577 176.1602 127 N 4.2664 7.9472 116.8334 54.1336 39.5311 173.5078 128 P 4.1149 0.0000 0.0000 65.9325 31.5437 177.7534 129 I 3.6258 7.9097 117.7801 65.1727 37.0345 178.1328 130 N 4.5804 9.0361 117.0556 56.0666 38.2823 177.8368 131 I 3.7222 7.9229 121.5076 64.7030 37.3003 177.4664 132 A 3.9431 8.4205 121.5343 55.6899 18.1015 178.8460 133 Y 3.8074 8.6984 113.4449 61.0634 37.8532 179.1247 134 A 3.9005 7.7694 119.7624 55.9850 18.7779 179.0956 135 T 3.8254 8.2127 113.8301 67.6615 68.4460 176.1680 136 M 3.6996 8.1825 119.2215 58.8517 31.9014 178.6623 137 E 3.8293 7.9683 117.8419 60.2823 30.0725 179.0587 138 A 3.9890 8.4911 120.6707 55.1849 18.3405 179.1782 139 L 3.6760 7.9997 113.9276 58.0185 41.7422 179.9307 140 R 4.0483 8.0737 121.2962 58.9720 30.5371 177.3102 141 Q 4.3134 8.2285 115.3566 56.3134 30.0616 174.2494 142 L 3.8894 7.9592 118.2695 54.7644 41.1224 177.3829 143 R 4.3532 8.5393 122.7771 55.6091 31.3049 176.0031 144 T 4.6849 7.9303 108.9632 59.3235 71.1629 175.3495 145 K 3.7801 8.6843 123.1024 59.2511 32.7357 177.6087 146 A 4.0012 8.4220 121.8205 53.3377 18.1142 180.1818 147 D 4.3252 6.5906 117.5789 55.5212 41.4226 178.6067 148 V 3.5732 7.2143 117.8726 66.3838 31.5938 177.7445 149 E 4.0663 9.8825 117.6772 59.5513 29.2805 179.0164 150 R 3.8934 8.0933 118.1395 59.8137 29.7638 178.1700 151 L 4.1724 8.3183 117.5174 56.5170 41.5667 178.0056 152 R 4.6270 7.7451 116.6233 55.4809 31.5861 176.1725 153 K 3.7193 8.0650 121.2802 56.3207 30.9872 178.0497 154 G 4.6243 8.7648 126.1993 46.2970 0.0000 173.1466 *155 E 4.1319 8.4955 121.4738 55.6471 30.4399 172.9625 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 5 D 8.36 4.75 0.00 2.78 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 6 F 8.47 4.50 0.00 3.01 3.33 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 7 E 9.26 3.82 0.00 1.98 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 2.32 0.00 8 E 8.35 3.84 0.00 2.27 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 2.29 2.30 0.00 9 K 9.34 4.72 0.00 1.79 1.58 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.34 7.81 10 M 8.63 4.55 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 11 I 8.65 3.85 1.91 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 1.08 0.50 0.86 0.00 0.00 12 L 7.53 4.87 0.00 1.54 1.29 0.86 0.85 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 13 I 8.02 5.20 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.55 0.72 0.00 0.00 14 R 8.86 4.52 0.00 1.88 1.96 0.00 2.83 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 15 R 8.50 4.64 0.00 1.81 2.00 0.00 2.56 0.00 0.00 3.11 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.35 0.00 16 T 8.29 4.57 4.36 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 1.48 0.00 0.00 17 A 7.76 4.71 1.07 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 18 R 7.90 4.38 0.00 1.81 1.96 0.00 2.90 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.43 0.00 19 M 8.50 4.63 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 20 Q 9.33 4.10 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.53 0.00 0.00 0.00 0.00 0.00 2.19 2.37 0.00 21 A 7.89 3.74 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 22 G 8.39 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 23 G 6.26 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 24 R 7.86 4.95 0.00 1.55 1.75 0.00 2.99 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.20 0.00 25 R 8.25 4.50 0.00 1.70 1.79 0.00 3.03 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 26 F 8.77 5.01 0.00 2.59 3.10 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 27 R 8.48 4.69 0.00 1.84 1.76 0.00 3.13 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 28 F 9.41 5.77 0.00 3.18 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 29 G 9.02 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.49 5.20 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 31 L 9.12 4.71 0.00 1.30 1.43 0.89 -0.48 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 32 V 8.65 4.80 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 0.94 0.00 0.00 0.95 0.00 0.00 33 V 9.17 4.83 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 0.91 0.00 0.00 0.90 0.00 0.00 34 V 8.42 4.64 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 0.70 0.00 0.00 0.90 0.00 0.00 35 G 8.55 4.77 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 36 D 8.66 4.94 0.00 2.65 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 37 R 8.57 4.07 0.00 2.00 2.11 0.00 3.11 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 38 Q 9.45 4.53 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 39 G 8.28 4.76 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 0.00 0.00 0.00 40 R 8.14 5.42 0.00 1.94 1.89 0.00 3.43 0.00 0.00 3.47 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 41 V 8.50 4.90 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 0.86 0.00 0.00 0.90 0.00 0.00 42 G 9.27 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.34 5.26 0.00 1.49 1.34 0.94 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 44 G 8.81 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 45 F 9.08 5.52 0.00 3.20 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 46 G 10.20 4.51 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 0.00 47 K 8.73 5.37 0.00 1.63 1.77 0.00 1.25 0.00 0.00 1.43 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.31 7.81 48 A 9.39 4.56 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 49 P 0.00 4.14 0.00 2.03 2.09 0.00 3.75 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 2.04 2.08 0.00 50 E 7.84 4.74 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 2.27 2.53 0.00 51 V 9.06 3.73 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 1.08 0.00 0.00 52 P 0.00 3.99 0.00 2.19 2.04 0.00 3.64 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 53 L 8.08 3.98 0.00 1.79 1.79 0.96 0.70 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 54 A 8.32 4.11 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 0.00 0.00 0.00 0.00 0.00 55 V 8.31 3.53 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 1.01 0.00 0.00 1.03 0.00 0.00 56 Q 8.08 3.96 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.50 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 57 K 8.66 3.73 0.00 2.19 2.09 0.00 1.79 0.00 0.00 1.98 0.00 0.00 3.28 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.73 1.41 7.81 58 A 8.99 4.40 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.46 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.11 4.27 0.00 2.82 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 61 Y 7.81 3.96 0.00 3.04 2.84 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 62 A 8.42 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 63 R 8.02 3.65 0.00 1.90 1.98 0.00 3.29 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.89 0.00 64 R 7.36 4.31 0.00 1.69 1.87 0.00 3.05 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.37 0.00 65 N 9.88 4.72 0.00 2.65 2.66 0.00 0.00 6.84 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 66 M 7.98 5.28 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 67 V 7.54 4.32 2.02 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 0.65 0.00 0.00 0.90 0.00 0.00 68 E 9.01 4.55 0.00 1.98 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 2.27 2.36 0.00 69 V 8.12 4.14 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 0.79 0.00 0.00 0.98 0.00 0.00 70 P 0.00 4.23 0.00 1.99 2.07 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.15 0.00 71 L 8.21 4.94 0.00 1.63 1.65 1.04 1.08 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 72 Q 8.15 4.09 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 5.91 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 73 N 7.74 4.02 0.00 2.94 2.86 0.00 0.00 7.13 8.28 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 74 G 8.58 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 75 T 8.34 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 1.29 0.00 0.00 76 I 7.95 4.34 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.90 0.89 0.00 0.00 77 P 0.00 4.38 0.00 2.42 2.17 0.00 3.75 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 78 H 7.70 5.26 0.00 3.14 3.28 0.00 5.47 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 79 E 9.22 5.58 0.00 1.93 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 2.16 2.18 0.00 80 I 8.22 4.81 1.87 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 1.29 1.07 0.84 0.00 0.00 81 E 8.75 5.62 0.00 1.84 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 2.20 2.11 0.00 82 V 8.46 4.43 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 1.08 0.00 0.00 0.97 0.00 0.00 83 E 8.93 4.62 0.00 1.97 1.87 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 2.21 2.45 0.00 84 F 9.02 4.80 0.00 3.12 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 85 G 8.59 3.62 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 0.00 0.00 0.00 86 A 8.85 4.41 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 87 S 7.82 5.32 0.00 3.95 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 88 K 8.80 5.19 0.00 1.82 1.77 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.40 7.81 89 I 8.56 5.13 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 1.23 1.18 0.96 0.00 0.00 90 V 8.27 4.68 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 0.80 0.00 0.00 1.00 0.00 0.00 91 L 9.14 4.81 0.00 1.76 1.55 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.10 4.83 0.00 1.75 1.77 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.35 7.81 93 P 0.00 4.73 0.00 2.11 2.20 0.00 3.75 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 1.99 1.97 0.00 94 A 8.04 4.93 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 95 A 8.59 4.16 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 96 P 0.00 4.94 0.00 2.18 2.03 0.00 4.03 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 97 G 8.74 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 0.00 0.00 0.00 0.00 98 T 7.90 3.96 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 1.21 0.00 0.00 99 G 8.30 4.19 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 0.00 0.00 0.00 100 V 8.10 4.08 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 0.82 0.00 0.00 1.00 0.00 0.00 101 I 8.03 4.32 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 1.16 0.97 0.98 0.00 0.00 102 A 8.08 4.45 1.20 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 0.00 103 G 8.53 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 0.00 0.00 0.00 104 A 8.15 3.82 1.31 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 0.00 105 V 7.81 3.52 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 1.08 0.00 0.00 0.91 0.00 0.00 106 P 0.00 4.24 0.00 2.29 2.31 0.00 3.80 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 2.24 2.03 0.00 107 R 8.45 3.98 0.00 1.91 2.12 0.00 3.12 0.00 0.00 3.17 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.63 0.00 108 A 8.14 3.85 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 0.00 109 I 7.45 4.07 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.16 0.88 0.00 0.00 110 L 7.71 4.08 0.00 1.87 1.73 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.35 4.03 0.00 2.20 2.19 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 2.34 2.35 0.00 112 L 7.84 4.09 0.00 1.75 1.80 0.97 0.76 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 0.00 113 A 7.88 3.93 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 0.00 114 G 7.84 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.42 4.57 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 0.86 0.00 0.00 0.93 0.00 0.00 116 T 9.84 4.39 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 0.00 117 D 7.87 4.97 0.00 2.64 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 0.00 118 I 8.06 4.63 1.87 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 1.33 1.15 0.91 0.00 0.00 119 L 9.09 5.06 0.00 1.80 1.54 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.01 5.63 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 1.25 0.00 0.00 121 K 8.20 4.49 0.00 1.86 1.64 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.53 7.81 122 E 8.89 4.60 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 2.31 2.35 0.00 123 L 8.97 4.64 0.00 1.59 1.53 0.93 0.86 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 0.00 124 G 9.02 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 0.00 0.00 0.00 125 S 9.45 4.25 0.00 3.81 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 0.00 126 R 8.51 4.46 0.00 1.84 1.93 0.00 3.28 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.61 0.00 127 N 7.95 4.27 0.00 2.80 2.73 0.00 0.00 7.19 7.59 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 0.00 128 P 0.00 4.11 0.00 2.16 2.04 0.00 3.67 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 129 I 7.91 3.63 2.02 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 1.47 0.58 0.79 0.00 0.00 130 N 9.04 4.58 0.00 2.79 3.14 0.00 0.00 7.17 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 0.00 131 I 7.92 3.72 2.05 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 1.86 1.08 0.99 0.00 0.00 132 A 8.42 3.94 1.44 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 0.00 0.00 133 Y 8.70 3.81 0.00 2.54 1.53 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 0.00 0.00 0.00 0.00 134 A 7.77 3.90 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 0.00 135 T 8.21 3.83 4.47 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 0.00 0.00 0.00 1.18 0.00 0.00 136 M 8.18 3.70 0.00 1.88 2.11 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.80 0.00 137 E 7.97 3.83 0.00 2.07 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 2.26 2.54 0.00 138 A 8.49 3.99 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 0.00 139 L 8.00 3.68 0.00 1.75 1.68 0.89 0.73 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 0.00 140 R 8.07 4.05 0.00 1.80 2.14 0.00 3.36 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 141 Q 8.23 4.31 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.64 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 142 L 7.96 3.89 0.00 1.73 1.73 0.89 0.76 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 0.00 143 R 8.54 4.35 0.00 1.73 1.85 0.00 3.32 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 144 T 7.93 4.68 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 1.24 0.00 0.00 145 K 8.68 3.78 0.00 1.73 1.90 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.40 7.81 146 A 8.42 4.00 1.23 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 0.00 0.00 0.00 147 D 6.59 4.33 0.00 2.75 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 0.00 148 V 7.21 3.57 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 0.92 0.00 0.00 149 E 9.88 4.07 0.00 2.18 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 2.51 2.45 0.00 150 R 8.09 3.89 0.00 1.87 2.15 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 151 L 8.32 4.17 0.00 1.70 1.72 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.75 4.63 0.00 1.72 1.88 0.00 3.15 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 153 K 8.06 3.72 0.00 1.88 1.58 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.38 7.81 154 G 8.76 4.62 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 0.00 0.00 0.00 *155 E 8.50 4.13 0.00 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.