NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 G 3.9607 8.3544 109.7430 45.5722 0.0000 172.6774 12 Y 4.3391 8.4642 123.2433 56.4562 41.4765 174.3483 13 D 4.1765 9.0130 129.5728 55.1456 39.7238 175.3152 14 E 4.1346 7.9415 119.1148 59.0962 29.6069 178.4429 15 E 3.8613 7.9567 119.2290 59.0745 29.8581 178.4717 16 K 3.8703 7.8839 119.1930 59.5138 32.3184 178.6262 17 V 3.5823 8.1687 118.8973 66.2190 31.4467 177.8006 18 N 4.6417 8.4081 117.7767 55.6678 38.2569 177.4755 19 R 3.8968 8.1966 120.3414 59.5275 30.1625 178.7155 20 I 3.9806 7.8995 121.0846 63.8378 36.5578 178.3270 21 Q 4.1166 8.3691 119.2452 58.8473 28.5700 179.1468 22 G 3.6697 8.1746 106.5787 47.9825 0.0000 175.3060 23 D 4.3944 8.3562 122.0888 57.1632 40.8011 179.1088 24 L 4.1291 8.3420 119.7182 57.8760 41.3560 179.6319 25 Q 4.1038 8.1171 117.6365 58.5038 28.6917 177.7708 26 T 4.3556 7.4875 107.9026 61.1710 69.4598 174.6360 27 V 4.4969 6.8411 113.9859 59.5384 35.1280 176.2807 28 D 4.6464 8.1743 121.9734 53.3261 37.9947 176.8931 29 I 3.7565 7.5264 124.5058 64.0016 37.8052 177.7440 30 S 4.2380 8.2217 115.8672 61.8077 62.7135 176.9735 31 G 3.7899 8.3259 109.4795 46.0165 0.0000 175.8285 32 V 3.5939 7.7723 120.6040 66.1063 31.5800 178.2784 33 S 4.1179 8.1542 114.7173 61.7744 62.4612 176.8653 34 Q 4.0023 8.0135 120.4277 58.8424 28.4499 178.6130 35 I 3.7383 7.8497 119.6687 64.0755 38.0111 177.9242 36 L 4.0196 8.1932 120.1464 57.7318 41.4532 179.6943 37 K 3.9549 8.2787 118.2681 59.2182 31.7423 179.1782 38 A 4.0410 7.8845 120.0520 55.4932 18.4620 179.6160 39 I 3.8603 7.6036 116.4065 64.0837 37.2388 178.2484 40 A 4.1214 8.0440 121.2697 53.4697 18.7405 177.5718 41 D 4.3220 7.3174 117.2404 54.6377 42.0733 176.3904 42 E 3.9131 9.1570 126.6445 60.2182 29.4632 179.6443 43 N 4.3416 8.1207 115.3776 56.3449 38.6676 177.6924 44 R 3.8875 8.0768 118.9142 58.9076 30.1254 178.8437 45 A 4.0527 8.6054 121.0928 55.0068 18.3740 179.7123 46 K 3.9168 8.0175 116.9360 59.7135 32.1153 179.2975 47 I 3.6817 7.8486 119.9423 64.8850 37.1471 178.4337 48 T 3.8657 8.3669 116.5307 66.9676 68.2667 175.9494 49 Y 3.9374 8.5962 121.4242 60.6343 38.7747 177.9445 50 A 3.9938 8.5623 122.0661 55.2347 18.3191 179.3342 51 L 4.4073 7.8621 116.8100 56.4459 41.8947 178.8235 52 C 4.2106 7.6611 115.9240 61.4662 28.0270 174.2273 53 Q 4.2649 7.0485 117.7282 56.9974 29.6954 175.5903 54 D 4.9774 7.7421 117.2287 52.3671 42.7282 177.6001 55 E 4.0286 8.7620 122.1884 59.1315 29.8189 176.8770 56 E 5.7931 7.7187 114.9844 53.9056 33.6293 174.9540 57 L 5.0646 8.5523 121.7865 53.1322 46.6495 175.6639 58 C 5.1359 8.5814 116.6454 57.0781 31.7293 175.1165 59 V 3.6725 8.6271 119.2839 65.1410 30.7589 178.2892 60 C 4.1419 8.0423 116.9891 62.6609 28.0411 175.3127 61 D 4.3947 8.1520 120.0283 57.5544 40.3565 178.9808 62 I 3.6974 7.6920 119.3434 64.2985 37.1080 178.2653 63 A 3.9705 8.1497 121.7720 55.1943 17.6744 179.2717 64 N 4.2303 8.3716 115.5035 56.7994 38.8606 176.9449 65 I 3.7284 7.8341 120.3717 64.7524 37.3840 178.2308 66 L 4.1920 8.0937 117.9222 55.1917 41.7319 177.1700 67 G 3.8083 7.7028 105.5761 47.0169 0.0000 173.2850 68 V 4.5411 7.7266 111.0749 58.3683 35.7399 176.5213 69 T 4.2109 8.0458 111.1710 61.4795 70.7343 175.4755 70 I 3.6710 8.3112 122.7533 64.5330 37.0736 178.4081 71 A 3.9463 7.9679 121.0085 55.2093 18.1904 178.9488 72 N 4.1259 8.1756 115.1934 56.8025 38.9520 176.8044 73 A 3.9961 8.0361 122.0526 55.3197 18.3660 179.6332 74 S 3.9492 8.2130 113.7274 62.0474 62.9925 176.5007 75 H 4.0598 8.3695 120.8332 59.6717 29.6255 177.0825 76 H 4.2670 8.3499 118.1006 58.8351 28.4088 177.8649 77 L 3.9751 8.1772 121.1407 57.4835 41.3607 179.6318 78 R 3.9710 8.2342 118.4994 59.6323 29.6863 179.2008 79 T 3.8939 7.7455 115.1812 66.6761 68.4153 176.7517 80 L 3.9922 8.0151 120.8936 57.9728 41.7180 178.9677 81 Y 4.2594 8.5311 119.9170 60.6086 38.5679 177.9615 82 K 4.1006 8.3398 119.3767 58.4511 32.3041 177.7382 83 Q 4.5568 7.1822 115.9858 54.7323 29.3288 175.7525 84 G 3.8292 7.6228 107.9341 46.4016 0.0000 176.2046 85 V 3.7812 8.0044 122.8012 64.8052 32.4804 176.3768 86 V 5.2111 7.8245 111.0681 59.5806 35.4919 174.6738 87 N 5.5480 9.6319 120.1108 51.5426 42.4597 173.2244 88 F 5.6532 8.2657 113.6922 54.3544 41.3821 175.1812 89 R 4.3923 8.3045 115.7621 56.7679 32.1582 173.9277 *94 L 4.1827 7.7476 115.6995 55.5683 41.4258 175.9707 95 A 4.3255 8.4184 124.4231 51.5699 19.5065 176.3657 96 L 4.8243 8.6262 122.5256 53.0959 44.8767 175.3149 97 Y 5.3361 9.3402 121.4749 56.6400 40.8127 174.8644 98 S 5.2066 9.0089 115.8184 55.3048 67.3675 172.8596 99 L 4.1736 8.6684 122.5643 55.5918 41.8803 176.8572 100 G 4.4343 9.6886 114.9324 48.1553 0.0000 172.7719 101 D 4.5401 7.5804 117.9805 50.8623 41.8069 175.8494 102 E 3.9575 8.4135 118.7206 59.4726 29.2996 178.1279 103 H 4.2451 8.6474 116.9841 58.9138 28.7592 177.6229 104 I 3.7077 7.6397 120.7785 64.3527 36.9576 178.2497 105 R 3.8774 8.0323 118.9687 59.7518 29.7626 178.4225 106 Q 4.0128 8.1681 117.5881 58.9196 28.7311 178.5347 107 I 3.6888 7.8996 120.9153 64.6186 37.1705 177.9408 108 M 4.0576 7.9877 118.7886 59.2539 32.0033 178.2780 109 M 4.2191 8.1680 118.6001 58.2298 32.0224 178.9195 110 I 3.7315 8.2264 120.3670 64.3140 37.3083 178.3353 111 A 4.0249 8.2073 121.6821 54.9843 17.9397 179.7588 112 L 3.9207 7.8511 116.6119 57.8266 42.0250 179.1373 113 A 4.1478 8.3223 121.0757 55.5610 18.2080 179.1267 114 H 4.4754 8.4798 118.2911 58.7969 29.7249 177.2754 115 K 4.0359 8.0117 119.9578 58.5808 32.1103 178.1439 116 K 4.1914 7.6340 116.5473 56.8241 32.6844 177.1244 117 E 4.0473 7.3567 119.9009 56.1688 30.0258 175.9360 118 V 4.0301 8.0118 121.6068 62.1837 32.5005 175.8397 119 K 4.0804 8.9507 127.2945 56.6931 32.5621 174.9608 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 11 G 8.35 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 12 Y 8.46 4.34 0.00 2.91 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 13 D 9.01 4.18 0.00 2.50 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 14 E 7.94 4.13 0.00 1.95 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 2.40 2.31 0.00 15 E 7.96 3.86 0.00 2.00 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 2.35 2.34 0.00 16 K 7.88 3.87 0.00 1.82 1.73 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.48 7.81 17 V 8.17 3.58 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 1.00 0.00 0.00 1.00 0.00 0.00 18 N 8.41 4.64 0.00 2.78 2.84 0.00 0.00 6.22 8.52 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 19 R 8.20 3.90 0.00 1.89 2.17 0.00 3.08 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 20 I 7.90 3.98 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 1.53 1.04 0.91 0.00 0.00 21 Q 8.37 4.12 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 22 G 8.17 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 0.00 0.00 0.00 23 D 8.36 4.39 0.00 2.88 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 24 L 8.34 4.13 0.00 1.82 1.72 0.92 0.69 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 25 Q 8.12 4.10 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 26 T 7.49 4.36 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 1.24 0.00 0.00 27 V 6.84 4.50 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 0.69 0.00 0.00 0.98 0.00 0.00 28 D 8.17 4.65 0.00 2.78 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.53 3.76 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 1.63 0.89 0.91 0.00 0.00 30 S 8.22 4.24 0.00 3.86 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.33 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 0.00 0.00 0.00 32 V 7.77 3.59 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 1.10 0.00 0.00 0.96 0.00 0.00 33 S 8.15 4.12 0.00 4.11 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 34 Q 8.01 4.00 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.69 0.00 35 I 7.85 3.74 1.98 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 1.52 1.61 0.98 0.00 0.00 36 L 8.19 4.02 0.00 1.77 1.71 0.92 1.43 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 37 K 8.28 3.95 0.00 2.06 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.60 7.81 38 A 7.88 4.04 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 39 I 7.60 3.86 1.88 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 1.47 0.70 0.94 0.00 0.00 40 A 8.04 4.12 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 41 D 7.32 4.32 0.00 2.92 2.56 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 0.00 0.00 0.00 0.00 42 E 9.16 3.91 0.00 2.07 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 2.41 2.49 0.00 43 N 8.12 4.34 0.00 2.65 2.71 0.00 0.00 7.02 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 44 R 8.08 3.89 0.00 1.91 1.99 0.00 3.15 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 45 A 8.61 4.05 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.02 3.92 0.00 2.04 1.90 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.60 7.81 47 I 7.85 3.68 2.02 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 1.50 0.75 0.89 0.00 0.00 48 T 8.37 3.87 4.44 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 1.25 0.00 0.00 49 Y 8.60 3.94 0.00 3.08 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 50 A 8.56 3.99 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 51 L 7.86 4.41 0.00 1.64 1.76 1.00 0.96 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 52 C 7.66 4.21 0.00 2.67 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 53 Q 7.05 4.26 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.67 0.00 0.00 0.00 0.00 0.00 1.91 2.27 0.00 54 D 7.74 4.98 0.00 2.73 2.56 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 0.00 0.00 0.00 0.00 55 E 8.76 4.03 0.00 2.03 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 2.39 2.32 0.00 56 E 7.72 5.79 0.00 1.80 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 2.35 2.18 0.00 57 L 8.55 5.06 0.00 1.64 1.57 0.95 0.89 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 58 C 8.58 5.14 0.00 3.07 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 59 V 8.63 3.67 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 0.85 0.00 0.00 0.89 0.00 0.00 60 C 8.04 4.14 0.00 3.01 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 61 D 8.15 4.39 0.00 2.92 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 62 I 7.69 3.70 1.98 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 1.45 0.64 0.87 0.00 0.00 63 A 8.15 3.97 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 N 8.37 4.23 0.00 3.00 2.83 0.00 0.00 7.23 7.34 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 65 I 7.83 3.73 2.02 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 1.54 0.76 0.94 0.00 0.00 66 L 8.09 4.19 0.00 1.76 1.74 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.70 3.81 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 0.00 0.00 0.00 68 V 7.73 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 0.84 0.00 0.00 0.95 0.00 0.00 69 T 8.05 4.21 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 1.20 0.00 0.00 70 I 8.31 3.67 1.86 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 1.57 0.56 0.90 0.00 0.00 71 A 7.97 3.95 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 72 N 8.18 4.13 0.00 2.84 2.96 0.00 0.00 7.15 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 73 A 8.04 4.00 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 74 S 8.21 3.95 0.00 4.02 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 75 H 8.37 4.06 0.00 3.13 3.40 0.00 5.59 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 76 H 8.35 4.27 0.00 3.35 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.18 3.98 0.00 1.53 1.28 0.27 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.23 3.97 0.00 1.95 1.98 0.00 3.12 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 79 T 7.75 3.89 4.39 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 1.22 0.00 0.00 80 L 8.02 3.99 0.00 1.89 1.77 0.93 0.72 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 81 Y 8.53 4.26 0.00 3.32 3.29 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 82 K 8.34 4.10 0.00 2.00 2.01 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.53 7.81 83 Q 7.18 4.56 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.31 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 84 G 7.62 3.83 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 0.00 0.00 0.00 85 V 8.00 3.78 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 0.95 0.00 0.00 0.94 0.00 0.00 86 V 7.82 5.21 2.38 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 0.86 0.00 0.00 1.19 0.00 0.00 87 N 9.63 5.55 0.00 2.59 2.68 0.00 0.00 6.67 8.01 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 88 F 8.27 5.65 0.00 2.45 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 89 R 8.30 4.39 0.00 1.76 1.81 0.00 3.19 0.00 0.00 3.37 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 *94 L 7.75 4.18 0.00 1.80 1.70 0.92 0.50 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 95 A 8.42 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.63 4.82 0.00 1.58 1.54 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 9.34 5.34 0.00 2.94 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 98 S 9.01 5.21 0.00 3.86 4.08 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 0.00 0.00 0.00 0.00 99 L 8.67 4.17 0.00 1.66 1.62 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 100 G 9.69 4.43 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 0.00 0.00 0.00 101 D 7.58 4.54 0.00 2.79 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 0.00 102 E 8.41 3.96 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 103 H 8.65 4.25 0.00 3.38 3.30 0.00 5.70 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 0.00 104 I 7.64 3.71 1.99 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 1.43 0.96 0.93 0.00 0.00 105 R 8.03 3.88 0.00 1.86 2.12 0.00 3.47 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 106 Q 8.17 4.01 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.55 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 107 I 7.90 3.69 2.03 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 1.41 0.88 0.93 0.00 0.00 108 M 7.99 4.06 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.86 0.00 109 M 8.17 4.22 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.97 0.00 110 I 8.23 3.73 2.06 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 0.77 0.92 0.00 0.00 111 A 8.21 4.02 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 0.00 112 L 7.85 3.92 0.00 1.88 1.76 1.06 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.32 4.15 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 0.00 114 H 8.48 4.48 0.00 3.34 3.48 0.00 5.83 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.01 4.04 0.00 1.95 1.81 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.50 7.81 116 K 7.63 4.19 0.00 1.91 1.83 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.65 1.61 7.81 117 E 7.36 4.05 0.00 1.98 1.82 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 2.31 2.41 0.00 118 V 8.01 4.03 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 0.77 0.00 0.00 0.92 0.00 0.00 119 K 8.95 4.08 0.00 1.82 1.98 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.23 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.