NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4318 0.0000 0.0000 61.8240 33.8292 178.6645 3 I 3.8748 7.5907 115.9303 60.8525 35.9780 178.4909 4 T 3.3503 8.9775 108.5720 62.5258 65.5748 166.3787 5 K 4.4322 7.7570 133.8628 54.7687 37.7960 176.2472 6 E 4.5782 7.9097 115.9649 57.6834 32.5202 180.6630 7 E 4.2314 8.3555 120.8609 60.9058 29.5068 181.6687 8 K 4.2062 8.1735 124.3608 61.3057 31.7623 184.5974 9 Q 4.3243 8.1099 124.6110 60.7601 27.8973 181.9172 10 K 4.2443 8.0675 127.3334 60.4025 31.8422 181.9337 11 V 3.9220 7.8830 123.6787 66.4277 31.4563 181.0525 12 I 4.0096 8.4211 123.5949 65.7529 35.3104 180.7559 13 Q 4.4882 8.1553 122.9580 59.4094 27.9318 180.3336 14 E 4.5173 8.0110 120.1675 61.5360 30.1358 184.0492 *15 F 4.9730 7.4550 117.8081 57.0728 38.5895 177.5217 16 A 4.2624 7.8017 125.8714 53.6077 18.1247 179.9021 17 R 3.7304 8.7523 124.6117 59.7717 29.9349 173.6837 *18 F 4.5370 7.6102 114.2015 55.9805 42.1361 176.9776 19 P 4.4321 0.0000 0.0000 66.4501 30.2160 176.8262 20 G 3.9127 9.0394 115.1378 45.4522 0.0000 173.5758 21 D 4.5573 8.3238 122.5178 54.0325 39.7965 182.6086 22 T 4.8326 7.9845 120.0952 59.1118 69.6346 170.4642 23 G 4.1662 7.9947 111.7795 45.5379 0.0000 175.5109 24 S 4.4374 7.6592 122.8720 60.5057 64.4158 179.8547 25 T 4.1550 8.6258 118.3126 68.1007 67.9500 177.2988 26 E 4.2882 8.2219 122.8988 61.5317 29.7937 182.1770 27 V 3.8833 7.7480 122.6345 66.4788 31.7719 180.5233 28 Q 4.2914 8.7729 124.6936 60.9382 27.9152 181.9474 29 V 3.8198 7.6849 120.9311 65.7782 31.6406 179.7018 30 A 4.2365 8.3407 124.1825 56.0020 18.0941 180.3792 31 L 4.0703 8.5618 122.6334 60.0256 41.0401 182.4407 32 L 4.3041 8.3389 125.3618 60.3786 40.8180 182.7128 33 T 4.1764 8.7143 118.3663 66.4416 68.4779 178.9712 34 L 4.2721 8.1186 127.6800 60.1213 40.8413 182.4853 35 R 4.2297 7.8558 123.6918 61.9439 29.3982 181.8906 36 I 3.9960 7.7647 123.5944 65.6889 35.4440 180.5107 37 N 4.6420 8.4915 123.9844 57.9394 37.1842 179.9678 38 R 4.2031 7.8259 124.3242 61.8843 29.7569 181.1551 39 L 4.4296 8.5741 126.3643 59.9366 40.7745 181.8761 40 S 4.4158 8.7984 122.5210 63.8746 62.0522 178.6759 41 E 4.4687 8.1933 122.0355 60.2837 29.7180 180.6810 *42 H 4.8065 8.3248 120.8528 60.7684 28.6057 183.5443 43 L 4.4964 8.0156 127.5059 59.9140 40.4662 181.8096 44 K 4.4201 7.8989 125.4629 59.5795 31.5799 181.6574 45 V 4.5031 7.7003 118.6393 64.4349 34.5588 181.6393 *46 H 5.1035 8.4726 118.0352 53.0667 27.8955 177.7427 47 K 4.2018 8.0101 126.5133 57.3022 32.2405 180.0514 48 K 4.3533 8.1581 119.3091 55.7329 31.3675 181.8154 49 D 4.8243 7.9122 122.5087 53.7358 39.4154 181.0679 *50 H 4.5568 8.6581 128.9180 59.9302 28.3038 175.3289 *51 H 4.3489 8.4273 123.6558 60.9721 27.7385 179.8110 52 S 4.3993 8.1932 122.6207 64.1887 62.2246 178.9301 *53 H 4.4266 8.0682 124.5654 60.3939 27.6699 181.1013 54 R 4.3391 8.2235 122.7525 61.5583 29.4035 182.0651 55 G 4.0166 8.2947 108.6925 47.7306 0.0000 176.2235 56 L 4.0453 7.8293 126.9620 60.3025 41.0720 184.8277 57 L 4.2796 7.7159 124.4730 59.6709 40.7272 181.9847 58 M 4.3119 7.9160 121.4632 61.1782 31.2967 183.5800 59 M 4.4222 8.1431 124.3730 59.9530 31.5744 181.5115 60 V 3.8679 8.1772 120.6992 65.9604 31.6725 181.2058 61 G 3.8898 8.7271 109.4681 48.1468 0.0000 176.6790 62 Q 4.1175 8.0287 124.7340 60.5659 28.4872 181.5733 63 R 4.3645 8.8290 126.2610 62.1045 29.4044 181.5399 64 R 4.2440 8.1467 124.2329 62.0286 29.0548 181.5983 65 R 4.2270 7.9682 123.4806 61.7851 28.9012 181.8010 66 L 4.3457 8.0689 124.2300 59.6190 40.8241 183.3842 67 L 4.3175 7.7870 123.4590 60.5885 41.3662 183.9555 68 R 4.2596 8.3183 124.4595 62.2595 29.1244 180.9342 *69 Y 4.2394 7.7973 122.4611 62.7496 37.0370 182.0878 70 L 4.4035 7.8722 125.3318 59.2770 40.7030 182.4115 71 Q 4.2191 7.8142 121.0364 61.7098 28.3634 184.3315 72 R 4.4388 7.8349 122.8406 60.6613 29.6054 180.3970 73 E 4.7827 8.0490 118.1682 60.7928 31.3718 182.3477 74 D 4.7593 7.9143 119.0364 51.5250 42.7013 176.8120 75 P 4.7001 0.0000 0.0000 65.3431 30.3138 177.4064 76 E 4.3628 8.1394 120.8213 62.9909 29.8941 184.6845 77 R 4.0529 8.0283 123.7742 61.4398 29.6592 180.6633 *78 Y 4.2949 7.9691 121.8167 63.1134 37.0212 183.4044 79 R 4.3163 7.8486 123.6677 61.5742 29.4198 181.6416 80 E 4.3408 7.8010 120.1259 61.9319 29.7542 183.2019 81 I 4.0165 8.2751 124.4502 65.6293 35.6025 181.1781 82 V 4.0218 7.9250 123.0346 65.8039 31.3638 180.5873 83 E 4.4544 7.7700 118.0738 61.4868 29.8145 184.0126 84 K 4.4871 8.5309 125.6877 58.8932 31.9197 180.8532 85 L 4.7850 7.5464 118.8485 56.0117 41.5906 182.7698 86 G 4.0496 7.9718 108.3253 47.1749 0.0000 174.7300 87 L 3.8765 7.9598 122.7677 56.3802 41.1055 183.5272 88 R 3.5751 8.5552 115.4623 56.4104 25.7392 172.9331 89 G 3.8114 8.0800 113.3865 45.3703 0.0000 171.2134 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 2 P 0.00 4.43 0.00 2.11 2.04 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.59 0.00 3 I 7.59 3.87 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 1.27 1.01 0.91 0.00 0.00 4 T 8.98 3.35 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 5 K 7.76 4.43 0.00 1.70 1.66 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.14 0.87 7.81 6 E 7.91 4.58 0.00 1.84 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 2.19 1.82 0.00 7 E 8.36 4.23 0.00 1.96 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 2.32 1.96 0.00 8 K 8.17 4.21 0.00 1.75 1.85 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.08 7.81 9 Q 8.11 4.32 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 10 K 8.07 4.24 0.00 1.75 1.84 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.07 7.81 11 V 7.88 3.92 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 0.71 0.00 0.00 0.93 0.00 0.00 12 I 8.42 4.01 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 1.38 0.54 0.91 0.00 0.00 13 Q 8.16 4.49 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.92 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 14 E 8.01 4.52 0.00 2.09 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 2.24 2.19 0.00 *15 F 7.45 4.97 0.00 2.30 2.18 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 16 A 7.80 4.26 1.40 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 0.00 0.00 17 R 8.75 3.73 0.00 1.84 1.87 0.00 3.31 0.00 0.00 3.26 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 *18 F 7.61 4.54 0.00 2.13 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 0.00 0.00 0.00 0.00 19 P 0.00 4.43 0.00 2.08 1.93 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.61 0.00 20 G 9.04 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 21 D 8.32 4.56 0.00 2.70 2.50 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 22 T 7.98 4.83 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 G 7.99 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.66 4.44 0.00 3.75 3.77 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 25 T 8.63 4.16 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 26 E 8.22 4.29 0.00 1.97 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 2.31 1.94 0.00 27 V 7.75 3.88 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 0.75 0.00 0.00 0.93 0.00 0.00 28 Q 8.77 4.29 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 29 V 7.68 3.82 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 0.73 0.00 0.00 0.93 0.00 0.00 30 A 8.34 4.24 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 31 L 8.56 4.07 0.00 1.65 1.69 0.92 0.81 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 32 L 8.34 4.30 0.00 1.64 1.70 0.92 0.84 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 33 T 8.71 4.18 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 34 L 8.12 4.27 0.00 1.66 1.72 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.86 4.23 0.00 1.77 1.96 0.00 3.25 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 36 I 7.76 4.00 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 1.38 0.54 0.91 0.00 0.00 37 N 8.49 4.64 0.00 2.72 2.86 0.00 0.00 7.21 7.23 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 38 R 7.83 4.20 0.00 1.94 1.88 0.00 3.24 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 39 L 8.57 4.43 0.00 1.59 1.71 0.92 1.00 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 40 S 8.80 4.42 0.00 3.67 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 41 E 8.19 4.47 0.00 2.08 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 2.26 2.19 0.00 *42 H 8.32 4.81 0.00 2.90 3.08 0.00 7.19 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 43 L 8.02 4.50 0.00 1.64 1.72 0.92 0.85 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 44 K 7.90 4.42 0.00 1.80 1.77 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.33 7.81 45 V 7.70 4.50 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 0.96 0.00 0.00 0.93 0.00 0.00 *46 H 8.47 5.10 0.00 2.73 2.95 0.00 7.18 0.00 0.00 0.00 0.00 5.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.01 4.20 0.00 1.77 1.76 0.00 1.66 0.00 0.00 2.40 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 0.97 7.81 48 K 8.16 4.35 0.00 1.77 1.71 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.00 7.81 49 D 7.91 4.82 0.00 2.69 2.51 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 *50 H 8.66 4.56 0.00 2.91 3.09 0.00 7.18 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *51 H 8.43 4.35 0.00 2.90 3.10 0.00 7.17 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.19 4.40 0.00 3.72 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 *53 H 8.07 4.43 0.00 2.86 3.12 0.00 7.17 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.22 4.34 0.00 1.80 1.96 0.00 3.25 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 55 G 8.29 4.02 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 0.00 0.00 0.00 56 L 7.83 4.05 0.00 1.71 1.69 0.92 0.46 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 57 L 7.72 4.28 0.00 1.70 1.71 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 58 M 7.92 4.31 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 59 M 8.14 4.42 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 60 V 8.18 3.87 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 0.73 0.00 0.00 0.93 0.00 0.00 61 G 8.73 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 0.00 0.00 0.00 62 Q 8.03 4.12 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 63 R 8.83 4.36 0.00 1.76 1.97 0.00 3.25 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 64 R 8.15 4.24 0.00 1.83 1.98 0.00 3.24 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 65 R 7.97 4.23 0.00 1.78 1.97 0.00 3.23 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 66 L 8.07 4.35 0.00 1.67 1.70 0.92 0.65 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 67 L 7.79 4.32 0.00 1.65 1.69 0.92 0.93 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 68 R 8.32 4.26 0.00 1.80 1.99 0.00 3.24 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 *69 Y 7.80 4.24 0.00 2.30 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 0.00 0.00 0.00 0.00 70 L 7.87 4.40 0.00 1.69 1.72 0.92 0.82 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 71 Q 7.81 4.22 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 72 R 7.83 4.44 0.00 1.94 1.87 0.00 3.22 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 73 E 8.05 4.78 0.00 2.08 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 2.22 2.18 0.00 74 D 7.91 4.76 0.00 2.57 2.53 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 75 P 0.00 4.70 0.00 2.07 2.06 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.65 0.00 76 E 8.14 4.36 0.00 2.00 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 2.24 2.19 0.00 77 R 8.03 4.05 0.00 1.81 1.96 0.00 3.22 0.00 0.00 3.37 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 *78 Y 7.97 4.29 0.00 2.31 2.33 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 79 R 7.85 4.32 0.00 1.90 1.96 0.00 3.23 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 80 E 7.80 4.34 0.00 1.87 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 2.24 2.19 0.00 81 I 8.28 4.02 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 1.38 0.54 0.91 0.00 0.00 82 V 7.92 4.02 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 0.71 0.00 0.00 0.93 0.00 0.00 83 E 7.77 4.45 0.00 2.08 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 2.20 2.18 0.00 84 K 8.53 4.49 0.00 1.82 1.75 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.32 7.81 85 L 7.55 4.78 0.00 1.69 1.57 0.92 1.32 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 86 G 7.97 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 0.00 0.00 0.00 87 L 7.96 3.88 0.00 1.69 1.49 0.92 1.08 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 88 R 8.56 3.58 0.00 1.90 1.95 0.00 3.23 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.18 0.00 89 G 8.08 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 * Residues marked with a * may have inaccurate shift predictions.