NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 72 K 4.2108 8.3144 120.1339 56.6780 32.3099 174.0140 73 K 4.4711 7.4471 124.9135 51.4815 35.9141 173.7188 74 K 4.2394 8.9813 123.1399 55.7342 33.6585 176.9977 75 K 4.2397 8.3472 121.4012 56.3698 32.8001 176.0883 76 K 4.5405 7.8271 119.9108 55.1871 34.5242 174.7515 77 K 4.0923 7.8804 116.7464 58.1165 34.6185 174.2787 78 K 3.9340 8.3473 117.4145 56.8406 32.5231 174.8219 79 S 4.6098 8.2370 120.0055 56.6219 63.1101 172.6591 80 Y 4.4313 8.6612 125.6413 56.7503 38.9156 176.2754 81 T 4.0985 8.3385 120.7109 64.0608 69.1675 174.8820 82 T 4.1269 8.4107 121.2413 66.0608 68.8257 176.5508 83 K 4.0835 7.9735 120.9703 59.6396 32.9722 179.0188 84 K 3.9054 8.2285 121.2864 56.5977 33.8494 179.6073 85 K 3.6540 7.7564 114.4530 57.8817 34.3501 177.1631 86 T 4.6776 8.5112 113.7048 62.5466 72.6763 172.2988 87 K 4.6425 8.1431 120.5289 55.4258 35.9235 176.2880 88 H 4.6832 8.9449 118.6678 55.0302 29.8626 174.5318 89 R 4.6231 7.9724 118.5546 54.2265 32.4531 176.1686 90 H 4.2627 8.5589 117.2339 56.4811 29.4250 176.0007 91 V 4.3673 7.7878 120.6083 60.3378 31.1617 173.9163 92 H 4.1449 8.0090 121.2522 55.9682 31.0749 174.0786 93 T 4.5460 8.0902 120.1536 62.0853 72.3961 173.4916 94 K 4.4829 8.3890 124.8361 54.7051 34.1071 176.2603 95 L 4.4914 8.2726 121.9421 53.3795 43.0159 177.5867 96 G 3.5960 8.4258 116.1159 46.2772 0.0000 170.4390 97 A 4.4064 8.3238 124.7156 51.0394 20.5416 176.8059 98 L 4.5543 8.1641 117.0708 53.4241 43.3170 176.8002 99 A 4.6087 8.2959 127.8515 51.1021 17.7355 176.6547 100 F 4.2771 8.9070 119.2291 59.1477 40.2365 174.5096 101 Y 5.2583 8.4223 115.6367 56.2547 40.0767 175.0016 102 K 4.7808 8.9473 119.3137 54.7487 36.5902 175.6186 103 L 4.8595 8.6233 123.0056 53.4704 43.3028 175.5185 104 E 4.4564 8.6867 124.0570 55.0593 31.9882 176.2943 105 N 4.0201 8.7624 120.5839 54.4376 37.5704 173.7744 106 N 4.2203 8.2367 109.9599 53.5486 36.2466 175.1936 107 G 4.1549 8.0808 107.5713 44.6317 0.0000 173.4251 108 K 4.7920 8.0310 118.0519 54.4514 36.2625 175.3501 109 V 4.8104 8.3920 121.1336 61.3199 34.2025 174.5164 110 S 4.9520 10.2422 120.9285 56.6438 65.6738 172.4644 111 L 4.6222 8.4176 122.5668 53.6563 43.1467 174.9486 112 Q 4.3405 8.2483 120.0271 58.3000 29.8008 178.8423 113 Q 4.3726 7.8793 121.7763 55.5976 30.6753 175.0649 114 K 4.5732 8.6652 119.9488 55.6559 35.5479 176.2961 115 G 4.2302 8.1930 110.1056 43.6466 0.0000 172.6297 116 C 4.0757 8.7841 125.4687 59.5376 32.0915 172.4637 117 P 4.1241 0.0000 0.0000 65.8964 30.4905 177.4288 118 K 3.6840 7.3592 117.8836 57.7624 32.8788 177.3534 119 C 4.4648 7.7412 121.9275 59.2299 27.6622 174.4012 120 G 4.5315 7.7003 106.0297 43.9954 0.0000 172.6547 121 P 4.6107 0.0000 0.0000 60.2831 30.4767 177.5468 122 G 4.6920 7.4697 122.1878 47.3980 0.0000 173.0428 123 I 4.5761 6.9494 122.3434 59.7887 39.3034 174.6040 124 F 4.9897 9.1854 124.8478 56.2977 40.7895 175.4476 125 M 4.5466 8.8071 122.0428 54.7230 33.4720 175.8714 126 A 4.4356 10.3799 124.4151 51.5830 20.0003 176.7012 127 K 4.6788 8.6812 123.0951 55.7316 33.2536 176.6256 128 H 4.5581 9.0634 128.3804 55.8401 30.9097 174.7942 129 Y 4.3162 7.9290 116.1528 57.9446 38.1823 174.7785 130 D 4.4211 6.6688 118.6928 53.3571 43.7315 175.6923 131 R 4.8463 7.2753 119.2077 54.7796 34.3616 173.9086 132 H 5.3237 9.6469 120.5479 54.6116 30.4502 173.3999 133 Y 5.3639 9.3792 124.8039 54.9468 42.4028 173.8928 134 C 4.5762 7.4677 124.4710 57.2545 33.3736 174.5767 135 G 3.7245 8.6078 116.5288 47.8217 0.0000 172.1196 136 K 4.2301 6.8972 117.1751 57.8771 34.1802 176.3585 137 C 4.2250 7.8772 114.2227 59.2229 30.1985 174.5416 138 H 4.0551 8.1435 115.8349 56.2408 26.7361 174.3476 139 L 4.0462 7.4551 121.8488 56.2680 42.7880 175.8697 140 T 5.7822 8.5005 121.9241 61.1766 70.9436 173.4301 141 L 4.9260 8.1865 124.2078 53.3960 46.6808 175.0124 142 K 4.5223 8.2808 118.3848 56.1046 34.8758 174.3850 143 I 4.3399 8.3626 127.0172 59.7952 38.6649 175.6724 144 D 4.5383 8.6339 122.6409 54.8262 40.5936 176.3721 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 72 K 8.31 4.21 0.00 1.74 1.88 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.50 7.81 73 K 7.45 4.47 0.00 1.82 1.68 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.52 7.81 74 K 8.98 4.24 0.00 1.78 1.71 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.45 7.81 75 K 8.35 4.24 0.00 1.74 1.76 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.46 7.81 76 K 7.83 4.54 0.00 1.72 1.75 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.39 7.81 77 K 7.88 4.09 0.00 1.84 1.80 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.13 1.20 7.81 78 K 8.35 3.93 0.00 2.10 1.89 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.59 7.81 79 S 8.24 4.61 0.00 3.81 3.75 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 80 Y 8.66 4.43 0.00 2.95 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 81 T 8.34 4.10 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 1.22 0.00 0.00 82 T 8.41 4.13 4.26 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 1.22 0.00 0.00 83 K 7.97 4.08 0.00 1.94 2.06 0.00 1.53 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.44 7.81 84 K 8.23 3.91 0.00 1.74 1.95 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.56 7.81 85 K 7.76 3.65 0.00 1.97 1.37 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.40 7.81 86 T 8.51 4.68 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 87 K 8.14 4.64 0.00 1.71 1.69 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.44 7.81 88 H 8.94 4.68 0.00 3.25 3.26 0.00 5.49 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 7.97 4.62 0.00 1.80 1.86 0.00 3.23 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 90 H 8.56 4.26 0.00 3.15 3.23 0.00 5.64 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 91 V 7.79 4.37 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 0.82 0.00 0.00 0.95 0.00 0.00 92 H 8.01 4.14 0.00 3.10 3.25 0.00 5.96 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.09 4.55 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 1.19 0.00 0.00 94 K 8.39 4.48 0.00 1.70 1.71 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.38 7.81 95 L 8.27 4.49 0.00 1.59 1.60 0.92 0.91 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 96 G 8.43 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.32 4.41 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 98 L 8.16 4.55 0.00 1.76 2.11 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.30 4.61 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 0.00 100 F 8.91 4.28 0.00 2.66 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 0.00 101 Y 8.42 5.26 0.00 2.82 3.09 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 0.00 102 K 8.95 4.78 0.00 1.69 1.69 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.56 7.81 103 L 8.62 4.86 0.00 1.54 1.63 0.94 0.90 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 0.00 104 E 8.69 4.46 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 105 N 8.76 4.02 0.00 2.97 2.84 0.00 0.00 7.45 6.71 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 0.00 106 N 8.24 4.22 0.00 2.83 2.97 0.00 0.00 6.78 7.65 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 0.00 107 G 8.08 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.03 4.79 0.00 1.82 1.68 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.35 7.81 109 V 8.39 4.81 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 0.92 0.00 0.00 0.95 0.00 0.00 110 S 10.24 4.95 0.00 4.12 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.42 4.62 0.00 1.52 1.52 0.98 0.80 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 0.00 112 Q 8.25 4.34 0.00 2.39 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.84 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 113 Q 7.88 4.37 0.00 2.42 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.60 0.00 0.00 0.00 0.00 0.00 2.63 2.67 0.00 114 K 8.67 4.57 0.00 1.79 1.57 0.00 1.43 0.00 0.00 1.52 0.00 0.00 2.73 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.34 7.81 115 G 8.19 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 0.00 0.00 0.00 0.00 116 C 8.78 4.08 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 0.00 117 P 0.00 4.12 0.00 2.19 2.13 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 118 K 7.36 3.68 0.00 1.73 1.75 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 119 C 7.74 4.46 0.00 2.91 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 0.00 120 G 7.70 4.53 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 0.00 0.00 0.00 121 P 0.00 4.61 0.00 2.16 2.12 0.00 3.85 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 122 G 7.47 4.69 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 0.00 123 I 6.95 4.58 2.03 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 1.35 1.18 0.91 0.00 0.00 124 F 9.19 4.99 0.00 2.79 3.16 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 0.00 0.00 0.00 125 M 8.81 4.55 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.44 0.00 126 A 10.38 4.44 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 0.00 127 K 8.68 4.68 0.00 1.77 1.81 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.55 7.81 128 H 9.06 4.56 0.00 3.18 3.23 0.00 5.77 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 Y 7.93 4.32 0.00 3.01 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 0.00 130 D 6.67 4.42 0.00 2.53 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 0.00 131 R 7.28 4.85 0.00 1.60 1.76 0.00 3.23 0.00 0.00 3.42 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.46 0.00 132 H 9.65 5.32 0.00 3.16 3.21 0.00 5.56 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 9.38 5.36 0.00 2.89 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 0.00 134 C 7.47 4.58 0.00 2.85 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 0.00 135 G 8.61 3.72 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 0.00 0.00 0.00 136 K 6.90 4.23 0.00 1.68 1.65 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.35 7.81 137 C 7.88 4.23 0.00 3.09 3.15 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 0.00 0.00 0.00 138 H 8.14 4.06 0.00 3.34 3.65 0.00 5.87 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.46 4.05 0.00 1.77 1.55 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 140 T 8.50 5.78 4.28 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 1.22 0.00 0.00 141 L 8.19 4.93 0.00 1.59 1.51 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 142 K 8.28 4.52 0.00 1.74 1.60 0.00 1.91 0.00 0.00 1.68 0.00 0.00 2.74 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 1.52 7.81 143 I 8.36 4.34 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 1.43 0.73 0.92 0.00 0.00 144 D 8.63 4.54 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00