NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2704 8.2993 120.1334 55.5840 33.4637 175.4367 2 P 4.3650 0.0000 0.0000 62.1270 32.2200 172.0249 3 V 3.8939 8.6337 114.8300 60.3906 30.8281 176.0694 4 S 4.3725 7.9960 117.3273 57.5800 62.0499 173.6116 5 L 4.5959 8.0132 124.8919 53.2114 43.2802 176.3112 6 S 4.5193 7.8990 116.2129 57.4442 67.0388 173.6095 7 Y 4.3648 8.4203 119.3921 56.7724 37.1253 175.5392 8 R 4.7659 8.0422 122.2763 54.4674 34.4443 175.4566 9 C 4.8321 8.4634 116.8375 54.6881 41.4847 171.9344 10 P 4.0895 0.0000 0.0000 65.3092 31.3118 177.2719 11 C 4.8257 7.8537 117.6047 55.2985 45.5599 173.3336 12 R 4.1591 8.5262 121.1472 56.2931 31.4762 175.5154 13 F 4.8760 8.0600 114.5962 55.4404 41.7704 175.1604 14 F 5.1712 7.7671 114.4256 55.2334 41.0533 173.4723 15 E 4.5805 9.5804 123.3988 55.1339 30.6958 176.1111 16 S 4.6499 9.0265 120.3452 58.7813 63.7414 173.4041 17 H 5.0167 9.1143 115.7798 54.9066 29.1001 172.9690 18 V 4.3354 7.6639 118.8766 59.8243 34.0211 176.3224 19 A 4.2204 8.3620 124.7563 51.4025 18.8141 178.7254 20 R 2.5100 8.0199 123.8053 58.6227 30.1010 177.3397 21 A 4.0687 7.5580 118.7348 53.3859 19.0454 177.1369 22 N 4.5965 8.0262 113.6737 53.8209 39.6749 174.9949 23 V 4.4872 7.3033 110.2727 60.6901 33.4428 175.5289 24 K 4.3579 8.6544 121.7116 58.1761 32.7420 176.1814 25 H 5.1093 7.6124 111.7093 54.5805 32.3078 171.7084 26 L 4.9996 8.6053 117.6924 52.7515 44.6278 176.1811 27 K 4.5792 9.2477 123.8792 54.7675 34.6648 174.6305 28 I 5.0471 8.4630 127.9608 59.5305 39.7689 175.0573 29 L 4.8304 9.2573 126.3147 52.9666 46.0192 175.4758 30 N 5.1352 8.8210 120.3970 52.2417 39.1803 174.8968 31 T 4.5139 8.3190 114.2255 59.6315 70.9137 173.5321 32 P 4.3243 0.0000 0.0000 65.7842 31.4856 177.2498 33 N 4.7929 8.0690 112.3982 53.2672 39.1233 174.7333 34 C 4.9865 7.6891 112.8203 55.0618 43.1993 173.2197 35 A 3.9070 8.1008 125.7754 54.7128 18.5149 176.6574 36 C 4.7559 7.4449 114.5318 57.3210 35.5056 172.7194 37 Q 4.6061 9.0138 126.8132 54.4295 31.2619 173.9842 38 I 5.0870 8.3063 126.7726 59.5091 40.9226 174.7496 39 V 4.9473 9.0322 125.7175 61.0861 35.4256 173.9711 40 A 5.1724 9.2258 126.9385 49.1428 22.9747 174.9818 41 R 4.7575 8.2718 120.0168 54.6249 31.9187 176.5310 42 L 4.6685 7.8081 122.6338 53.9800 42.9875 177.0596 43 K 3.9042 8.7106 120.5464 57.8121 32.1163 178.0444 44 N 4.3680 8.7847 122.9226 52.3864 37.4027 175.1275 45 N 4.6481 8.2509 117.7797 53.1186 37.4505 173.7976 46 N 4.5599 8.4000 119.9787 53.1380 40.1693 175.9835 47 R 4.6066 7.1020 116.4970 56.0007 30.6492 172.4248 48 Q 4.6868 8.2611 117.1072 54.8386 30.5000 175.2684 49 V 4.5780 8.2857 114.0253 59.8683 35.5043 173.7359 50 C 5.1321 8.6500 119.4251 55.7867 42.2890 172.8908 51 I 5.0004 8.7699 124.1282 59.5297 39.5768 174.7660 52 D 4.4736 8.9258 125.8641 53.1531 41.5769 175.8143 53 P 4.1351 0.0000 0.0000 64.9993 31.5511 177.2280 54 K 4.1541 7.7612 115.2390 56.2977 32.6187 177.2421 55 L 3.9313 7.4205 122.5893 54.3849 43.7131 176.6698 56 K 3.7869 8.6739 127.5499 59.9012 32.1260 178.9821 57 W 4.5557 8.0151 115.9086 59.4309 28.1027 178.1016 58 I 3.3937 6.8820 120.5238 64.0410 36.4277 177.9529 59 Q 3.9708 7.9486 118.8619 59.2842 28.6146 179.0447 60 E 4.0432 8.2088 119.1476 59.2938 29.5784 178.7679 61 Y 4.0123 8.5821 120.0276 60.7534 38.7420 178.2327 62 L 4.1114 8.2325 118.7073 57.8212 41.7001 178.5856 63 E 4.1106 8.3455 119.5634 59.4313 29.5378 179.1465 64 K 4.0865 8.2751 118.6739 59.9698 32.6012 178.4953 65 C 4.2260 7.8358 118.0921 61.3491 31.4841 174.8214 66 L 4.1445 7.3982 120.0798 58.2481 41.6567 175.6540 67 N 4.8525 8.2930 114.8851 53.4849 45.7800 174.1104 68 K 4.2105 8.0952 120.6430 56.8963 32.0451 175.4106 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 1 K 8.30 4.27 0.00 1.74 1.81 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.49 7.81 2 P 0.00 4.36 0.00 2.25 2.05 0.00 3.75 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 1.98 2.04 0.00 3 V 8.63 3.89 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 0.67 0.00 0.00 0.92 0.00 0.00 4 S 8.00 4.37 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 5 L 8.01 4.60 0.00 1.51 1.38 0.85 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.90 4.52 0.00 3.75 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 7 Y 8.42 4.36 0.00 2.95 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 8 R 8.04 4.77 0.00 1.72 1.77 0.00 3.18 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 9 C 8.46 4.83 0.00 2.95 3.08 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 10 P 0.00 4.09 0.00 2.05 2.08 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 11 C 7.85 4.83 0.00 2.79 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 12 R 8.53 4.16 0.00 1.73 1.81 0.00 2.21 0.00 0.00 2.43 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.36 0.00 13 F 8.06 4.88 0.00 2.85 2.78 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 0.00 0.00 0.00 14 F 7.77 5.17 0.00 3.02 2.97 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 0.00 0.00 0.00 15 E 9.58 4.58 0.00 2.14 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 0.00 2.31 2.45 0.00 16 S 9.03 4.65 0.00 4.09 3.97 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 0.00 0.00 0.00 17 H 9.11 5.02 0.00 3.10 3.25 0.00 5.69 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 18 V 7.66 4.34 2.24 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 1.26 0.00 0.00 1.05 0.00 0.00 19 A 8.36 4.22 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 20 R 8.02 2.51 0.00 0.67 1.26 0.00 3.07 0.00 0.00 3.05 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.13 0.00 21 A 7.56 4.07 1.19 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 22 N 8.03 4.60 0.00 2.77 2.91 0.00 0.00 6.98 7.24 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 23 V 7.30 4.49 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 1.06 0.00 0.00 0.85 0.00 0.00 24 K 8.65 4.36 0.00 1.73 1.88 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.32 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.34 7.81 25 H 7.61 5.11 0.00 3.17 3.42 0.00 5.40 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.61 5.00 0.00 1.44 1.51 0.90 0.07 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 27 K 9.25 4.58 0.00 1.86 1.82 0.00 1.47 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.43 7.81 28 I 8.46 5.05 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 0.77 0.89 0.00 0.00 29 L 9.26 4.83 0.00 1.53 1.49 0.93 0.48 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 30 N 8.82 5.14 0.00 2.60 2.78 0.00 0.00 6.93 7.52 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 31 T 8.32 4.51 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 32 P 0.00 4.32 0.00 2.14 2.24 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 33 N 8.07 4.79 0.00 2.66 2.81 0.00 0.00 6.73 7.64 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 34 C 7.69 4.99 0.00 2.94 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 35 A 8.10 3.91 1.17 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 36 C 7.44 4.76 0.00 2.86 2.65 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 37 Q 9.01 4.61 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 38 I 8.31 5.09 1.76 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.74 0.78 0.00 0.00 39 V 9.03 4.95 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 0.89 0.00 0.00 0.96 0.00 0.00 40 A 9.23 5.17 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 41 R 8.27 4.76 0.00 1.63 1.82 0.00 3.14 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 42 L 7.81 4.67 0.00 1.59 1.61 0.98 0.93 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 43 K 8.71 3.90 0.00 1.60 1.79 0.00 1.84 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.54 7.81 44 N 8.78 4.37 0.00 2.89 2.90 0.00 0.00 7.10 8.00 0.00 0.00 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 N 8.25 4.65 0.00 2.66 2.75 0.00 0.00 6.94 7.79 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 46 N 8.40 4.56 0.00 2.73 2.85 0.00 0.00 7.12 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 47 R 7.10 4.61 0.00 2.02 2.07 0.00 3.11 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.29 0.00 48 Q 8.26 4.69 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 49 V 8.29 4.58 2.12 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 0.72 0.00 0.00 0.99 0.00 0.00 50 C 8.65 5.13 0.00 3.07 3.08 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 51 I 8.77 5.00 1.77 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.86 0.64 0.00 0.00 52 D 8.93 4.47 0.00 2.97 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.14 0.00 1.90 1.95 0.00 3.26 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 1.80 2.08 0.00 54 K 7.76 4.15 0.00 2.00 1.74 0.00 1.65 0.00 0.00 1.50 0.00 0.00 2.78 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.28 1.18 7.81 55 L 7.42 3.93 0.00 1.70 0.98 0.63 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.67 3.79 0.00 1.86 1.87 0.00 1.83 0.00 0.00 1.92 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.59 1.56 7.81 57 W 8.02 4.56 0.00 3.69 3.35 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 58 I 6.88 3.39 1.65 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.53 0.67 0.00 0.00 59 Q 7.95 3.97 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.71 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 60 E 8.21 4.04 0.00 2.34 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 0.00 2.39 2.67 0.00 61 Y 8.58 4.01 0.00 3.50 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 62 L 8.23 4.11 0.00 1.68 1.76 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.35 4.11 0.00 2.21 2.17 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 2.32 2.50 0.00 64 K 8.28 4.09 0.00 2.05 2.04 0.00 1.16 0.00 0.00 1.49 0.00 0.00 2.81 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.74 7.81 65 C 7.84 4.23 0.00 3.10 3.21 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 66 L 7.40 4.14 0.00 1.98 1.77 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.29 4.85 0.00 2.69 2.74 0.00 0.00 7.25 6.70 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 68 K 8.10 4.21 0.00 1.94 1.79 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 1.53 7.81