NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9596 8.2133 109.7359 45.6301 0.0000 174.6382 4 D 4.5709 8.5378 119.4573 54.0330 40.0877 175.6468 5 T 4.4077 8.2206 118.9269 62.8135 71.5724 172.2769 6 T 4.9948 8.3052 116.3013 59.7082 71.3182 173.2021 7 I 4.7583 9.0035 125.3295 59.4024 42.1404 173.8303 8 T 5.0692 8.4825 122.5570 61.9145 71.5487 173.3045 9 I 4.6521 9.2776 127.5791 59.4873 40.8472 174.9288 10 V 5.0214 7.4651 123.7846 60.5639 34.3988 174.5647 11 G 3.9867 8.2047 113.2027 46.4646 0.0000 171.2097 12 N 5.8695 8.2082 116.9315 51.0618 40.5814 176.6279 13 L 4.2978 8.8408 119.7680 54.8923 41.5731 176.7436 14 T 3.4789 8.4292 109.1517 61.5995 68.7905 171.6989 15 A 4.8356 7.3246 124.1212 48.6489 22.4679 175.2925 16 D 4.5227 8.4020 119.2249 53.5508 41.4652 174.5602 17 P 4.7694 0.0000 0.0000 63.1213 32.2497 175.4953 18 E 4.2902 9.0002 124.0320 55.6328 30.6684 175.1033 19 L 4.8107 8.4372 127.5046 53.7185 43.2600 175.3827 20 R 4.7723 8.8291 125.8985 54.7612 34.2743 173.3230 21 F 5.3149 9.0174 122.3952 56.6154 42.4441 175.1162 22 T 4.9617 8.4391 113.0769 59.1299 72.1115 172.8600 23 P 4.4526 0.0000 0.0000 65.9618 31.9237 177.7076 24 S 4.4753 8.2778 112.1874 59.4727 64.3785 175.3132 25 G 4.2236 7.8521 109.4449 43.5954 0.0000 173.5735 26 A 3.9955 8.0320 119.6794 53.5076 19.1885 174.5625 27 A 2.9235 8.8791 130.8035 51.6232 17.1423 176.7322 28 V 4.1496 8.1352 121.8458 62.0481 35.2311 173.1358 29 A 5.1845 8.5216 129.6646 50.1925 21.7757 174.7954 30 N 5.1514 8.8790 118.8640 50.5912 42.1632 173.6533 31 F 5.1464 7.5905 115.4496 56.4079 41.2709 172.4070 32 T 5.0822 8.5453 109.4101 59.9660 71.7927 172.6936 33 V 4.5395 9.0752 124.9355 61.2812 33.8698 174.0109 34 A 5.1683 9.4925 130.7573 49.3393 20.8115 175.5105 35 S 4.8261 8.2362 117.0785 56.9538 66.0784 173.6643 36 T 4.3264 8.6460 117.0736 60.0405 70.2484 175.9866 37 P 4.7028 0.0000 0.0000 62.7257 30.1108 178.8227 38 R 4.1691 8.7866 112.8389 60.1581 29.8703 173.5950 39 I 4.2370 7.5364 115.2540 59.1838 38.5241 175.4542 *40 Y 3.9018 8.3535 124.6370 56.9995 35.8001 172.1063 *51 E 4.1888 8.5205 122.9257 53.5393 31.4919 172.8605 52 A 3.6544 8.1435 127.6780 51.9457 18.8866 176.3128 53 L 5.0154 8.1075 121.6631 53.3346 46.1451 175.0904 54 F 5.0293 9.1372 123.3033 55.7245 41.8656 174.3692 55 L 4.7717 8.8363 126.7983 53.3759 44.4625 176.9492 56 R 4.5718 8.6115 124.8503 56.7987 30.7938 171.6904 57 C 5.2374 9.3121 121.2984 57.1652 32.3571 172.7376 58 N 4.9277 8.8484 117.9981 51.5026 42.1737 173.4806 59 I 4.9842 7.9920 122.0413 59.3273 42.0793 173.8070 60 W 4.8493 8.8841 126.8430 54.7643 32.6936 176.9144 61 R 3.4822 8.6360 118.8153 57.1049 29.2044 178.0684 62 E 3.9469 9.0087 117.8517 60.6652 29.4423 179.1795 63 A 4.0264 8.1621 119.8611 55.0417 18.2984 179.1985 64 A 3.9495 7.8885 118.6727 55.5586 18.4938 179.7775 65 E 3.7324 8.0713 116.4629 59.5707 29.4527 179.1829 66 N 4.3189 8.7163 116.8997 56.3184 38.5956 177.6980 67 V 3.4829 8.4032 119.9476 65.8327 31.4164 177.8483 68 A 3.9878 8.6346 120.9124 54.3184 18.2778 178.3650 69 E 4.4397 7.9489 112.8331 56.8034 30.4513 177.2523 70 S 4.5080 7.6314 115.6404 58.1314 64.4412 174.0674 71 L 4.6219 7.3215 120.8767 52.8633 43.3041 175.9626 72 T 4.7402 8.1606 112.0121 58.4285 71.4086 173.6632 73 R 4.1097 8.4490 117.7050 57.4575 29.8727 176.9989 74 G 3.8217 8.8381 107.3136 45.5171 0.0000 172.9110 75 A 4.3277 7.3116 122.3899 50.9756 20.1055 177.2250 76 R 4.6708 8.6119 123.5071 56.3110 31.4069 175.6506 77 V 4.9929 8.8077 118.9497 59.6274 36.5398 174.3673 78 I 4.8821 8.6320 123.4055 59.6494 39.6524 174.9922 79 V 4.8775 9.1290 126.7034 61.0454 34.9033 173.9420 80 S 5.0359 8.8043 122.1572 56.9802 65.0931 172.9522 81 G 4.6351 8.5868 114.0063 46.2124 0.0000 171.9051 82 R 5.3084 8.4736 115.9894 53.2593 33.2098 174.7377 83 L 5.1590 8.4131 119.7792 54.0111 43.4454 176.1001 84 K 4.6386 8.7467 119.6261 56.1427 36.2564 174.9154 85 Q 5.6679 8.4530 120.5452 53.9624 31.8143 174.7022 86 R 4.4863 8.0654 115.0774 56.5147 32.0300 174.1026 87 S 5.2271 8.9497 122.0932 58.2365 64.3467 174.5785 *88 F 4.5947 8.5918 128.5552 56.7773 40.1508 171.7342 89 E 4.6865 8.8941 110.6853 58.4719 36.8970 174.5553 90 T 3.2959 7.6198 114.7429 62.7092 66.4092 177.1760 91 R 4.0718 8.7132 120.8852 59.8318 29.7673 175.5929 *95 K 4.1230 7.8895 119.7784 55.9142 33.3355 181.2150 96 R 5.0275 8.3200 126.3482 55.3363 33.8392 171.9525 97 T 5.7069 8.3181 109.3362 61.2735 71.6842 169.3761 98 V 4.5579 7.9667 116.7238 63.0310 35.6810 173.5024 99 I 4.8676 8.3036 124.9588 59.9757 38.8011 174.7792 100 E 4.8397 9.2890 126.2972 54.4590 34.2106 174.2931 101 V 4.7852 8.3859 119.4923 61.5149 34.3173 174.3901 102 E 4.7828 9.3232 128.4506 54.9457 30.6159 175.5783 103 V 4.1307 8.6190 126.2508 63.2969 32.1601 175.1540 104 D 4.8036 9.9368 128.9410 55.9870 42.3120 176.1347 105 E 5.0120 8.0188 116.7405 54.5369 33.6083 174.3293 106 I 5.1085 8.1713 122.0813 59.7538 41.7825 174.2275 107 G 4.2385 8.3108 110.2742 44.5739 0.0000 170.8507 108 P 4.8803 0.0000 0.0000 62.1179 32.0544 176.2184 109 S 4.1916 8.9367 119.8348 57.9810 63.1785 173.6228 110 L 4.9245 8.0602 123.4045 53.9086 42.1201 178.0203 111 R 3.8541 7.6668 121.6031 58.8358 29.9179 176.7762 112 Y 4.8746 7.6970 110.3279 57.3575 39.4500 174.3317 113 A 4.8438 7.7176 122.2201 50.4233 22.4953 174.5258 114 T 4.5999 8.1513 112.2943 60.4571 70.5579 172.7026 115 A 4.5352 8.2905 128.2564 51.3185 21.9905 177.1220 *116 K 4.4489 8.4200 122.4806 52.8079 32.7478 176.3093 117 V 4.0525 8.1768 120.7984 60.1986 32.6871 177.0422 118 N 4.8717 8.4149 120.1212 50.1740 39.5156 173.8364 119 K 4.2325 8.5629 122.5318 56.2176 32.9874 177.0885 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 G 8.21 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 4 D 8.54 4.57 0.00 2.76 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 5 T 8.22 4.41 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 6 T 8.31 4.99 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 7 I 9.00 4.76 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 1.24 1.72 0.95 0.00 0.00 8 T 8.48 5.07 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 9 I 9.28 4.65 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.67 0.91 0.00 0.00 10 V 7.47 5.02 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 1.13 0.00 0.00 0.92 0.00 0.00 11 G 8.20 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 0.00 0.00 0.00 12 N 8.21 5.87 0.00 2.61 2.71 0.00 0.00 6.97 7.47 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 13 L 8.84 4.30 0.00 1.49 1.84 0.71 0.84 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 14 T 8.43 3.48 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 1.22 0.00 0.00 15 A 7.32 4.84 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 16 D 8.40 4.52 0.00 2.79 2.59 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 0.00 17 P 0.00 4.77 0.00 2.05 1.88 0.00 3.80 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 18 E 9.00 4.29 0.00 1.96 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 2.31 2.27 0.00 19 L 8.44 4.81 0.00 1.58 1.53 0.55 0.69 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 20 R 8.83 4.77 0.00 1.83 1.56 0.00 3.28 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 21 F 9.02 5.31 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 22 T 8.44 4.96 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 23 P 0.00 4.45 0.00 2.21 2.24 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 2.03 1.99 0.00 24 S 8.28 4.48 0.00 4.02 4.05 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 25 G 7.85 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 0.00 0.00 0.00 0.00 26 A 8.03 4.00 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 27 A 8.88 2.92 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 28 V 8.14 4.15 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 -0.10 0.00 0.00 0.36 0.00 0.00 29 A 8.52 5.18 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 30 N 8.88 5.15 0.00 2.55 2.56 0.00 0.00 6.44 7.70 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 31 F 7.59 5.15 0.00 3.02 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 32 T 8.55 5.08 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 1.26 0.00 0.00 33 V 9.08 4.54 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 0.91 0.00 0.00 1.10 0.00 0.00 34 A 9.49 5.17 0.74 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 0.00 0.00 35 S 8.24 4.83 0.00 3.85 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 36 T 8.65 4.33 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 37 P 0.00 4.70 0.00 2.11 1.81 0.00 3.74 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 1.95 1.60 0.00 38 R 8.79 4.17 0.00 1.82 1.86 0.00 3.21 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.18 0.00 39 I 7.54 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 1.28 1.09 0.92 0.00 0.00 *40 Y 8.35 3.90 0.00 2.35 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 0.00 0.00 0.00 *51 E 8.52 4.19 0.00 2.10 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 2.19 2.40 0.00 52 A 8.14 3.65 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 53 L 8.11 5.02 0.00 1.76 1.55 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 54 F 9.14 5.03 0.00 2.86 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 55 L 8.84 4.77 0.00 1.57 1.55 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.61 4.57 0.00 1.50 1.80 0.00 3.18 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.23 0.00 57 C 9.31 5.24 0.00 1.39 2.30 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 58 N 8.85 4.93 0.00 2.85 2.38 0.00 0.00 6.61 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 59 I 7.99 4.98 2.01 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 1.31 1.56 1.07 0.00 0.00 60 W 8.88 4.85 0.00 3.30 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 61 R 8.64 3.48 0.00 2.11 1.85 0.00 3.27 0.00 0.00 3.30 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 62 E 9.01 3.95 0.00 2.06 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 2.40 2.42 0.00 63 A 8.16 4.03 1.42 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 0.00 0.00 64 A 7.89 3.95 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 65 E 8.07 3.73 0.00 2.18 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 2.36 2.36 0.00 66 N 8.72 4.32 0.00 2.86 2.86 0.00 0.00 6.66 7.67 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 67 V 8.40 3.48 2.22 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 0.65 0.00 0.00 0.93 0.00 0.00 68 A 8.63 3.99 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 69 E 7.95 4.44 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 2.43 2.30 0.00 70 S 7.63 4.51 0.00 3.85 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 71 L 7.32 4.62 0.00 1.43 1.40 0.70 0.78 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 72 T 8.16 4.74 4.30 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 1.19 0.00 0.00 73 R 8.45 4.11 0.00 2.06 2.04 0.00 3.13 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 74 G 8.84 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 0.00 0.00 0.00 75 A 7.31 4.33 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 76 R 8.61 4.67 0.00 1.98 1.85 0.00 3.24 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 77 V 8.81 4.99 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 0.76 0.00 0.00 0.99 0.00 0.00 78 I 8.63 4.88 1.86 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 1.09 1.01 0.90 0.00 0.00 79 V 9.13 4.88 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 1.03 0.00 0.00 1.04 0.00 0.00 80 S 8.80 5.04 0.00 3.90 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 81 G 8.59 4.64 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 0.00 0.00 0.00 82 R 8.47 5.31 0.00 1.85 2.09 0.00 3.03 0.00 0.00 3.26 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.42 0.00 83 L 8.41 5.16 0.00 1.55 1.63 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.75 4.64 0.00 1.81 1.86 0.00 1.32 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.44 7.81 85 Q 8.45 5.67 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.17 0.00 86 R 8.07 4.49 0.00 1.84 1.98 0.00 2.96 0.00 0.00 3.48 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 87 S 8.95 5.23 0.00 3.40 3.67 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 0.00 0.00 0.00 0.00 *88 F 8.59 4.59 0.00 2.05 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 0.00 0.00 0.00 89 E 8.89 4.69 0.00 1.92 1.74 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 2.13 1.87 0.00 90 T 7.62 3.30 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 91 R 8.71 4.07 0.00 1.83 1.86 0.00 3.26 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 *95 K 7.89 4.12 0.00 1.79 1.68 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 96 R 8.32 5.03 0.00 1.45 1.82 0.00 3.18 0.00 0.00 3.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.16 0.00 97 T 8.32 5.71 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 98 V 7.97 4.56 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 0.94 0.00 0.00 0.93 0.00 0.00 99 I 8.30 4.87 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 1.35 0.74 0.92 0.00 0.00 100 E 9.29 4.84 0.00 1.83 1.94 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 2.19 2.21 0.00 101 V 8.39 4.79 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 1.08 0.00 0.00 0.93 0.00 0.00 102 E 9.32 4.78 0.00 1.91 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 0.00 2.33 2.43 0.00 103 V 8.62 4.13 2.25 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 0.91 0.00 0.00 0.99 0.00 0.00 104 D 9.94 4.80 0.00 2.70 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 0.00 105 E 8.02 5.01 0.00 1.85 1.80 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 2.30 2.23 0.00 106 I 8.17 5.11 1.97 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 1.23 1.06 0.92 0.00 0.00 107 G 8.31 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 0.00 0.00 0.00 0.00 108 P 0.00 4.88 0.00 2.06 2.03 0.00 3.74 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 109 S 8.94 4.19 0.00 3.84 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 0.00 110 L 8.06 4.92 0.00 1.61 1.60 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.67 3.85 0.00 1.42 1.38 0.00 2.34 0.00 0.00 2.44 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.12 0.00 112 Y 7.70 4.87 0.00 3.00 2.80 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 0.00 113 A 7.72 4.84 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 0.00 114 T 8.15 4.60 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 0.00 115 A 8.29 4.54 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 *116 K 8.42 4.45 0.00 1.75 1.62 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.24 0.98 7.81 117 V 8.18 4.05 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 0.81 0.00 0.00 0.93 0.00 0.00 118 N 8.41 4.87 0.00 2.68 2.58 0.00 0.00 6.76 7.44 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 0.00 119 K 8.56 4.23 0.00 1.86 1.82 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.