============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. PHE 17 1.000 52.997 3.648 -2.663 -99.200 -91.000 PHE 22 1.000 56.575 14.525 -5.514 -99.200 -91.000 HIS 47 0.900 41.077 -3.111 -7.696 -99.200 -91.000 HIS 58 0.900 56.826 -9.894 3.948 -99.200 -91.000 HIS 61 0.900 49.888 -6.473 3.928 -99.200 -91.000 HIS 65 0.900 57.170 2.413 3.685 -99.200 -91.000 HIS 74 0.900 38.200 -6.248 3.939 -99.200 -91.000 HIS 78 0.900 35.808 2.569 6.393 -99.200 -91.000 PHE 79 1.000 41.754 7.902 3.122 -99.200 -91.000 TYR 80 0.840 37.865 6.808 -3.756 -99.200 -91.000 TYR 95 0.840 39.597 -3.524 -18.365 -99.200 -91.000 PHE 100 1.000 45.980 -16.131 -17.994 -99.200 -91.000 PHE 106 1.000 40.519 -10.714 -7.586 -99.200 -91.000 PHE 114 1.000 39.209 -2.980 -4.344 -99.200 -91.000 TRP 135 1.040 34.220 0.712 -16.048 -99.200 -91.000 TRP6 135 1.020 36.010 1.129 -14.557 -99.200 -91.000 PHE 147 1.000 44.171 5.067 -18.100 -99.200 -91.000 HIS 164 0.900 39.232 15.814 -12.934 -99.200 -91.000 PHE 165 1.000 41.476 17.598 -5.456 -99.200 -91.000 HIS 166 0.900 37.869 22.060 -10.707 -99.200 -91.000 PHE 168 1.000 33.051 22.577 -5.998 -99.200 -91.000 TRP 169 1.040 40.093 27.395 -4.042 -99.200 -91.000 TRP6 169 1.020 41.994 26.172 -3.340 -99.200 -91.000 PHE 173 1.000 42.139 32.212 -4.565 -99.200 -91.000 PHE 182 1.000 55.703 39.428 -16.586 -99.200 -91.000 PHE 183 1.000 55.425 29.668 -11.833 -99.200 -91.000 HIS 184 0.900 59.736 36.126 -11.778 -99.200 -91.000 PHE 189 1.000 65.337 32.733 -20.379 -99.200 -91.000 HIS 197 0.900 45.012 39.872 -5.809 -99.200 -91.000 TYR 201 0.840 42.081 32.510 0.285 -99.200 -91.000 TRP 205 1.040 53.173 32.468 3.675 -99.200 -91.000 TRP6 205 1.020 53.230 34.822 3.471 -99.200 -91.000 PHE 206 1.000 53.902 26.583 8.163 -99.200 -91.000 HIS 217 0.900 48.887 23.668 5.639 -99.200 -91.000 PHE 218 1.000 46.557 29.001 -0.789 -99.200 -91.000 PHE 220 1.000 41.268 21.889 -2.498 -99.200 -91.000 PHE 226 1.000 47.531 23.358 -4.245 -99.200 -91.000 TYR 233 0.840 66.548 26.781 -2.253 -99.200 -91.000 PHE 234 1.000 63.930 31.209 -9.539 -99.200 -91.000 TRP 236 1.040 63.250 24.227 -5.585 -99.200 -91.000 TRP6 236 1.020 61.510 22.705 -6.067 -99.200 -91.000 TRP 247 1.040 53.863 12.785 9.715 -99.200 -91.000 TRP6 247 1.020 51.780 12.440 8.656 -99.200 -91.000 TYR 251 0.840 46.836 15.717 10.333 -99.200 -91.000 HIS 252 0.900 44.490 18.588 11.999 -99.200 -91.000 TRP 263 1.040 48.687 38.592 -6.993 -99.200 -91.000 TRP6 263 1.020 49.268 40.005 -5.187 -99.200 -91.000 HIS 268 0.900 43.571 20.443 -17.122 -99.200 -91.000 PHE 288 1.000 55.706 -5.037 -12.209 -99.200 -91.000 HIS 308 0.900 48.404 7.230 -11.049 -99.200 -91.000 PHE 328 1.000 52.181 31.799 -0.461 -99.200 -91.000 PHE 334 1.000 53.314 25.530 -6.979 -99.200 -91.000 PHE 336 1.000 50.457 19.635 -6.702 -99.200 -91.000 PHE 337 1.000 53.523 16.494 0.202 -99.200 -91.000 PHE 348 1.000 45.188 13.814 -6.942 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2r9yA1 VAL 46 HA -0.39 0.01 0.20 -0.75 4.13 3.20 2r9yA1 PRO 47 HA -0.05 0.10 0.74 -0.51 4.44 4.71 2r9yA1 PRO 47 HB2 -0.00 -0.07 -0.05 -0.04 2.28 2.12 2r9yA1 PRO 47 HB3 -0.04 0.01 0.03 -0.04 2.02 1.98 2r9yA1 PRO 47 HG2 0.05 0.02 -0.03 -0.04 2.03 2.03 2r9yA1 PRO 47 HG3 -0.04 0.07 -0.01 -0.04 2.03 2.01 2r9yA1 PRO 47 HD2 -0.06 0.09 0.13 -0.04 3.68 3.80 2r9yA1 PRO 47 HD3 -0.71 0.19 0.11 -0.04 3.65 3.20 2r9yA1 THR 48 H -0.01 0.06 0.15 -0.55 8.28 7.93 2r9yA1 THR 48 HA 0.00 0.22 0.41 -0.75 4.39 4.26 2r9yA1 THR 48 HB -0.00 -0.30 0.07 -0.04 4.32 4.05 2r9yA1 THR 48 HG23 -0.00 0.00 0.13 -0.04 1.22 1.31 2r9yA1 ALA 49 H 0.01 0.20 0.19 -0.55 8.40 8.25 2r9yA1 ALA 49 HA 0.02 0.18 0.55 -0.75 4.34 4.34 2r9yA1 ALA 49 HB3 0.01 0.04 0.11 -0.04 1.41 1.53 2r9yA1 GLU 50 H -0.00 0.08 -0.07 -0.55 8.60 8.06 2r9yA1 GLU 50 HA -0.02 0.18 0.58 -0.75 4.29 4.28 2r9yA1 GLU 51 H -0.00 0.02 -0.47 -0.55 8.60 7.60 2r9yA1 GLU 51 HA -0.00 0.08 0.37 -0.75 4.29 3.98 2r9yA1 GLU 51 HB2 -0.00 -0.18 0.14 -0.04 2.09 2.00 2r9yA1 GLU 51 HB3 0.00 0.17 -0.01 -0.04 1.99 2.12 2r9yA1 GLU 51 HG2 0.01 0.06 -0.02 -0.04 2.34 2.34 2r9yA1 GLU 51 HG3 0.00 -0.00 0.03 -0.04 2.34 2.33 2r9yA1 THR 52 H 0.02 0.54 -0.11 -0.55 8.28 8.18 2r9yA1 THR 52 HA 0.02 0.08 0.59 -0.75 4.39 4.32 2r9yA1 THR 52 HB 0.06 -0.01 -0.02 -0.04 4.32 4.31 2r9yA1 THR 52 HG23 0.11 0.02 -0.05 -0.04 1.22 1.27 2r9yA1 ARG 53 H -0.02 0.34 -0.29 -0.55 8.46 7.94 2r9yA1 ARG 53 HA -0.10 0.11 0.43 -0.75 4.34 4.02 2r9yA1 ARG 53 HB2 -0.04 0.24 0.23 -0.04 1.90 2.29 2r9yA1 ARG 53 HB3 -0.05 0.03 0.13 -0.04 1.80 1.87 2r9yA1 ARG 53 HG2 -0.13 -0.03 -0.04 -0.04 1.67 1.43 2r9yA1 ARG 53 HG3 -0.15 0.04 0.07 -0.04 1.67 1.60 2r9yA1 ARG 54 H -0.02 0.45 -0.32 -0.55 8.46 8.01 2r9yA1 ARG 54 HA -0.02 0.04 0.47 -0.75 4.34 4.07 2r9yA1 ARG 54 HB2 -0.00 0.09 0.17 -0.04 1.90 2.11 2r9yA1 ARG 54 HB3 0.01 -0.06 0.02 -0.04 1.80 1.73 2r9yA1 LEU 55 H -0.02 0.31 -0.30 -0.55 8.37 7.82 2r9yA1 LEU 55 HA -0.01 0.02 0.40 -0.75 4.35 4.01 2r9yA1 LEU 55 HB2 -0.02 0.00 0.09 -0.04 1.64 1.67 2r9yA1 LEU 55 HB3 -0.06 0.09 0.17 -0.04 1.64 1.81 2r9yA1 LEU 55 HG -0.21 -0.00 -0.29 -0.04 1.64 1.09 2r9yA1 LEU 55 HD13 -0.05 -0.02 -0.05 -0.04 0.93 0.77 2r9yA1 LEU 55 HD23 -0.17 0.00 -0.09 -0.04 0.89 0.58 2r9yA1 ALA 56 H -0.06 0.66 -0.08 -0.55 8.40 8.37 2r9yA1 ALA 56 HA 0.01 -0.04 0.36 -0.75 4.34 3.92 2r9yA1 ALA 56 HB3 -0.06 0.03 -0.06 -0.04 1.41 1.29 2r9yA1 GLN 57 H -0.02 0.48 -0.21 -0.55 8.47 8.18 2r9yA1 GLN 57 HA 0.32 -0.01 0.38 -0.75 4.36 4.30 2r9yA1 GLN 57 HB2 0.00 0.11 0.22 -0.04 2.15 2.44 2r9yA1 GLN 57 HB3 0.07 -0.02 -0.01 -0.04 2.02 2.01 2r9yA1 GLN 57 HG2 0.03 -0.05 0.05 -0.04 2.40 2.38 2r9yA1 GLN 57 HG3 -0.18 0.02 0.06 -0.04 2.39 2.24 2r9yA1 GLN 57 HE21 -0.10 -0.08 -0.06 -0.04 6.97 6.69 2r9yA1 GLN 57 HE22 -0.22 0.04 -0.02 -0.04 7.69 7.45 2r9yA1 ALA 58 H 0.05 0.56 -0.13 -0.55 8.40 8.34 2r9yA1 ALA 58 HA 0.09 0.02 0.42 -0.75 4.34 4.12 2r9yA1 ALA 58 HB3 0.06 0.07 0.07 -0.04 1.41 1.57 2r9yA1 MET 59 H 0.05 0.80 -0.03 -0.55 8.47 8.75 2r9yA1 MET 59 HA 0.14 -0.01 0.39 -0.75 4.52 4.28 2r9yA1 MET 59 HB2 0.00 0.11 0.15 -0.04 2.15 2.37 2r9yA1 MET 59 HB3 0.04 -0.05 0.05 -0.04 2.03 2.03 2r9yA1 MET 59 HG2 -0.05 0.12 0.03 -0.04 2.63 2.69 2r9yA1 MET 59 HG3 -0.11 -0.06 -0.03 -0.04 2.56 2.32 2r9yA1 MET 59 HE3 -0.03 -0.01 -0.13 -0.04 2.10 1.89 2r9yA1 MET 60 H 0.13 0.59 -0.23 -0.55 8.47 8.41 2r9yA1 MET 60 HA -0.01 -0.00 0.59 -0.75 4.52 4.35 2r9yA1 MET 60 HB2 -0.02 0.11 0.12 -0.04 2.15 2.33 2r9yA1 MET 60 HB3 0.17 0.10 0.13 -0.04 2.03 2.39 2r9yA1 MET 60 HG2 -0.86 -0.02 -0.04 -0.04 2.63 1.67 2r9yA1 MET 60 HG3 -0.22 -0.05 -0.15 -0.04 2.56 2.11 2r9yA1 MET 60 HE3 -0.91 0.02 -0.03 -0.04 2.10 1.14 2r9yA1 ALA 61 H 0.00 0.54 -0.08 -0.55 8.40 8.32 2r9yA1 ALA 61 HA -0.14 -0.02 0.38 -0.75 4.34 3.81 2r9yA1 ALA 61 HB3 -0.57 0.04 0.11 -0.04 1.41 0.94 2r9yA1 PHE 62 H 0.11 0.63 -0.14 -0.55 8.34 8.39 2r9yA1 PHE 62 HA 0.09 0.08 0.50 -0.75 4.62 4.53 2r9yA1 PHE 62 HB2 0.12 0.10 0.06 -0.04 3.15 3.39 2r9yA1 PHE 62 HB3 0.02 0.04 0.08 -0.04 3.06 3.16 2r9yA1 PHE 62 HD2 0.05 0.12 -0.05 -0.04 7.28 7.36 2r9yA1 PHE 62 HE2 -0.01 0.07 -0.03 -0.04 7.38 7.38 2r9yA1 PHE 62 HZ -0.01 -0.08 -0.11 -0.04 7.32 7.08 2r9yA1 THR 63 H 0.03 0.59 -0.27 -0.55 8.28 8.08 2r9yA1 THR 63 HA -0.25 -0.11 0.34 -0.75 4.39 3.62 2r9yA1 THR 63 HB 0.02 0.14 0.24 -0.04 4.32 4.68 2r9yA1 THR 63 HG23 -0.05 -0.04 -0.15 -0.04 1.22 0.95 2r9yA1 THR 64 H -0.01 0.76 -0.05 -0.55 8.28 8.43 2r9yA1 THR 64 HA 0.07 -0.05 0.40 -0.75 4.39 4.06 2r9yA1 THR 64 HB -0.03 0.17 0.16 -0.04 4.32 4.58 2r9yA1 THR 64 HG23 -0.00 -0.02 -0.16 -0.04 1.22 1.00 2r9yA1 ASP 65 H -0.03 0.56 -0.26 -0.55 8.40 8.12 2r9yA1 ASP 65 HA 0.02 -0.02 0.36 -0.75 4.63 4.24 2r9yA1 ASP 65 HB2 0.05 0.14 0.25 -0.04 2.71 3.11 2r9yA1 ASP 65 HB3 0.08 -0.07 0.02 -0.04 2.70 2.69 2r9yA1 LEU 66 H -0.28 0.74 -0.04 -0.55 8.37 8.24 2r9yA1 LEU 66 HA -0.11 -0.01 0.28 -0.75 4.35 3.75 2r9yA1 LEU 66 HB2 -0.79 0.10 0.09 -0.04 1.64 1.00 2r9yA1 LEU 66 HB3 -0.40 0.04 0.11 -0.04 1.64 1.34 2r9yA1 LEU 66 HG -0.13 -0.04 -0.19 -0.04 1.64 1.23 2r9yA1 LEU 66 HD13 -0.05 -0.01 -0.05 -0.04 0.93 0.77 2r9yA1 LEU 66 HD23 -0.27 -0.02 -0.08 -0.04 0.89 0.48 2r9yA1 PHE 67 H 0.01 0.81 -0.03 -0.55 8.34 8.57 2r9yA1 PHE 67 HA -0.12 -0.06 0.31 -0.75 4.62 3.99 2r9yA1 PHE 67 HB2 -0.19 0.06 0.06 -0.04 3.15 3.04 2r9yA1 PHE 67 HB3 -0.12 0.09 0.06 -0.04 3.06 3.05 2r9yA1 PHE 67 HD2 -0.18 -0.01 -0.02 -0.04 7.28 7.03 2r9yA1 PHE 67 HE2 -0.21 0.02 -0.08 -0.04 7.38 7.07 2r9yA1 PHE 67 HZ -0.16 0.06 -0.35 -0.04 7.32 6.82 2r9yA1 SER 68 H -0.01 0.63 -0.21 -0.55 8.46 8.33 2r9yA1 SER 68 HA -0.20 -0.09 0.32 -0.75 4.49 3.77 2r9yA1 SER 68 HB2 -0.03 0.18 0.14 -0.04 3.95 4.20 2r9yA1 SER 68 HB3 -0.05 -0.11 0.00 -0.04 3.93 3.73 2r9yA1 LEU 69 H -0.01 0.55 -0.16 -0.55 8.37 8.20 2r9yA1 LEU 69 HA -0.01 0.00 0.33 -0.75 4.35 3.92 2r9yA1 LEU 69 HB2 0.00 0.26 0.16 -0.04 1.64 2.02 2r9yA1 LEU 69 HB3 0.00 -0.04 -0.00 -0.04 1.64 1.56 2r9yA1 LEU 69 HG 0.02 0.02 0.00 -0.04 1.64 1.63 2r9yA1 LEU 69 HD13 0.03 -0.04 -0.04 -0.04 0.93 0.84 2r9yA1 LEU 69 HD23 0.01 -0.03 0.01 -0.04 0.89 0.84 2r9yA1 VAL 70 H 0.02 0.61 -0.11 -0.55 8.24 8.21 2r9yA1 VAL 70 HA 0.02 -0.02 0.45 -0.75 4.13 3.83 2r9yA1 VAL 70 HB 0.11 0.09 0.07 -0.04 2.12 2.35 2r9yA1 VAL 70 HG13 0.05 -0.02 -0.08 -0.04 0.97 0.88 2r9yA1 VAL 70 HG23 0.02 0.05 -0.02 -0.04 0.95 0.96 2r9yA1 ALA 71 H -0.00 0.61 -0.11 -0.55 8.40 8.35 2r9yA1 ALA 71 HA 0.00 0.02 0.36 -0.75 4.34 3.96 2r9yA1 ALA 71 HB3 -0.19 0.00 0.12 -0.04 1.41 1.30 2r9yA1 GLN 72 H -0.03 0.39 -0.20 -0.55 8.47 8.08 2r9yA1 GLN 72 HA -0.03 0.14 0.69 -0.75 4.36 4.41 2r9yA1 GLN 72 HB2 -0.02 -0.03 0.08 -0.04 2.15 2.14 2r9yA1 GLN 72 HB3 -0.02 -0.11 0.06 -0.04 2.02 1.91 2r9yA1 GLN 72 HG2 -0.02 0.21 0.16 -0.04 2.40 2.71 2r9yA1 GLN 72 HG3 -0.01 -0.00 -0.05 -0.04 2.39 2.29 2r9yA1 GLN 72 HE21 -0.00 -0.04 -0.03 -0.04 6.97 6.85 2r9yA1 GLN 72 HE22 -0.00 0.01 -0.03 -0.04 7.69 7.62 2r9yA1 THR 73 H -0.01 0.29 -0.16 -0.55 8.28 7.86 2r9yA1 THR 73 HA -0.01 0.02 0.57 -0.75 4.39 4.22 2r9yA1 THR 73 HB -0.00 0.04 0.18 -0.04 4.32 4.49 2r9yA1 THR 73 HG23 -0.01 -0.06 -0.03 -0.04 1.22 1.08 2r9yA1 SER 74 H -0.00 0.44 -0.13 -0.55 8.46 8.22 2r9yA1 SER 74 HA -0.01 0.07 0.61 -0.75 4.49 4.41 2r9yA1 SER 74 HB2 0.00 -0.18 0.13 -0.04 3.95 3.85 2r9yA1 SER 74 HB3 0.01 -0.03 0.06 -0.04 3.93 3.93 2r9yA1 THR 75 H -0.01 -0.02 0.22 -0.55 8.28 7.93 2r9yA1 THR 75 HA -0.03 0.27 0.76 -0.75 4.39 4.64 2r9yA1 THR 75 HB -0.03 -0.02 0.06 -0.04 4.32 4.30 2r9yA1 THR 75 HG23 -0.02 0.02 -0.03 -0.04 1.22 1.15 2r9yA1 SER 76 H -0.01 -0.07 0.09 -0.55 8.46 7.92 2r9yA1 SER 76 HA -0.02 0.01 0.49 -0.75 4.49 4.22 2r9yA1 SER 76 HB2 -0.01 -0.05 0.18 -0.04 3.95 4.04 2r9yA1 SER 76 HB3 -0.01 -0.07 0.20 -0.04 3.93 4.01 2r9yA1 SER 77 H -0.02 0.05 0.23 -0.55 8.46 8.17 2r9yA1 SER 77 HA -0.04 0.12 0.38 -0.75 4.49 4.21 2r9yA1 SER 77 HB2 -0.03 -0.00 0.23 -0.04 3.95 4.10 2r9yA1 SER 77 HB3 -0.03 -0.03 0.16 -0.04 3.93 3.99 2r9yA1 ASN 78 H -0.01 0.02 0.01 -0.55 8.53 8.01 2r9yA1 ASN 78 HA 0.01 0.22 0.94 -0.75 4.76 5.18 2r9yA1 ASN 78 HB2 0.01 -0.05 0.05 -0.04 2.88 2.85 2r9yA1 ASN 78 HB3 0.03 0.12 0.20 -0.04 2.79 3.10 2r9yA1 ASN 78 HD21 -0.05 0.57 0.15 -0.04 7.03 7.65 2r9yA1 ASN 78 HD22 -0.02 -0.04 0.07 -0.04 7.74 7.71 2r9yA1 LEU 79 H 0.06 0.62 0.41 -0.55 8.37 8.91 2r9yA1 LEU 79 HA 0.05 0.16 0.77 -0.75 4.35 4.57 2r9yA1 LEU 79 HB2 0.15 -0.11 0.12 -0.04 1.64 1.75 2r9yA1 LEU 79 HB3 0.09 -0.02 -0.05 -0.04 1.64 1.62 2r9yA1 LEU 79 HG 0.08 0.08 -0.24 -0.04 1.64 1.52 2r9yA1 LEU 79 HD13 0.24 -0.01 -0.11 -0.04 0.93 1.01 2r9yA1 LEU 79 HD23 0.05 0.08 -0.07 -0.04 0.89 0.90 2r9yA1 VAL 80 H 0.04 0.24 0.06 -0.55 8.24 8.03 2r9yA1 VAL 80 HA -0.04 0.22 0.67 -0.75 4.13 4.24 2r9yA1 VAL 80 HB 0.18 0.04 -0.15 -0.04 2.12 2.16 2r9yA1 VAL 80 HG13 0.09 0.01 -0.19 -0.04 0.97 0.83 2r9yA1 VAL 80 HG23 0.28 -0.00 -0.22 -0.04 0.95 0.97 2r9yA1 LEU 81 H -0.14 0.85 0.35 -0.55 8.37 8.88 2r9yA1 LEU 81 HA 0.14 0.14 0.86 -0.75 4.35 4.73 2r9yA1 LEU 81 HB2 -0.32 0.05 0.02 -0.04 1.64 1.35 2r9yA1 LEU 81 HB3 -0.15 -0.04 -0.15 -0.04 1.64 1.26 2r9yA1 LEU 81 HG -0.03 -0.03 -0.33 -0.04 1.64 1.21 2r9yA1 LEU 81 HD13 -0.07 0.00 -0.17 -0.04 0.93 0.66 2r9yA1 LEU 81 HD23 0.07 0.01 -0.09 -0.04 0.89 0.85 2r9yA1 SER 82 H 0.17 0.19 0.00 -0.55 8.46 8.28 2r9yA1 SER 82 HA -0.40 0.30 1.00 -0.75 4.49 4.64 2r9yA1 SER 82 HB2 -1.37 0.09 0.10 -0.04 3.95 2.73 2r9yA1 SER 82 HB3 -0.19 -0.04 0.20 -0.04 3.93 3.86 2r9yA1 PRO 83 HA -0.12 0.02 0.41 -0.51 4.44 4.24 2r9yA1 PRO 83 HB2 -0.10 0.13 -0.07 -0.04 2.28 2.20 2r9yA1 PRO 83 HB3 -0.47 0.07 -0.04 -0.04 2.02 1.54 2r9yA1 PRO 83 HG2 -0.23 0.09 -0.00 -0.04 2.03 1.85 2r9yA1 PRO 83 HG3 -0.26 0.00 -0.06 -0.04 2.03 1.67 2r9yA1 PRO 83 HD2 -0.19 0.18 -0.09 -0.04 3.68 3.54 2r9yA1 PRO 83 HD3 -0.26 0.16 -0.43 -0.04 3.65 3.08 2r9yA1 LEU 84 H -0.05 0.26 -0.27 -0.55 8.37 7.76 2r9yA1 LEU 84 HA 0.10 0.09 0.49 -0.75 4.35 4.27 2r9yA1 LEU 84 HB2 0.08 0.25 0.13 -0.04 1.64 2.06 2r9yA1 LEU 84 HB3 0.01 0.04 0.13 -0.04 1.64 1.78 2r9yA1 LEU 84 HG 0.14 -0.09 -0.29 -0.04 1.64 1.35 2r9yA1 LEU 84 HD13 0.18 0.01 -0.06 -0.04 0.93 1.02 2r9yA1 LEU 84 HD23 0.31 0.01 -0.10 -0.04 0.89 1.06 2r9yA1 SER 85 H -0.08 0.19 -0.16 -0.55 8.46 7.87 2r9yA1 SER 85 HA -0.03 0.07 0.38 -0.75 4.49 4.16 2r9yA1 SER 85 HB2 -0.04 0.04 0.06 -0.04 3.95 3.97 2r9yA1 SER 85 HB3 -0.05 0.11 0.15 -0.04 3.93 4.10 2r9yA1 VAL 86 H -0.12 0.43 -0.20 -0.55 8.24 7.81 2r9yA1 VAL 86 HA -0.05 0.02 0.45 -0.75 4.13 3.80 2r9yA1 VAL 86 HB 0.14 0.15 0.07 -0.04 2.12 2.44 2r9yA1 VAL 86 HG13 0.12 -0.02 -0.11 -0.04 0.97 0.91 2r9yA1 VAL 86 HG23 -0.46 0.03 -0.06 -0.04 0.95 0.42 2r9yA1 ALA 87 H 0.11 0.53 -0.26 -0.55 8.40 8.23 2r9yA1 ALA 87 HA -0.20 -0.03 0.35 -0.75 4.34 3.71 2r9yA1 ALA 87 HB3 -0.06 0.04 0.11 -0.04 1.41 1.46 2r9yA1 LEU 88 H 0.01 0.68 -0.08 -0.55 8.37 8.44 2r9yA1 LEU 88 HA 0.04 -0.02 0.33 -0.75 4.35 3.95 2r9yA1 LEU 88 HB2 0.02 0.07 0.07 -0.04 1.64 1.76 2r9yA1 LEU 88 HB3 -0.03 0.08 0.02 -0.04 1.64 1.66 2r9yA1 LEU 88 HG 0.13 -0.06 -0.10 -0.04 1.64 1.57 2r9yA1 LEU 88 HD13 -0.08 0.01 -0.06 -0.04 0.93 0.76 2r9yA1 LEU 88 HD23 -0.02 -0.00 -0.12 -0.04 0.89 0.71 2r9yA1 ALA 89 H -0.01 0.51 -0.31 -0.55 8.40 8.04 2r9yA1 ALA 89 HA 0.03 0.03 0.39 -0.75 4.34 4.04 2r9yA1 ALA 89 HB3 -0.00 0.02 0.04 -0.04 1.41 1.43 2r9yA1 LEU 90 H -0.03 0.74 -0.05 -0.55 8.37 8.48 2r9yA1 LEU 90 HA -0.01 -0.07 0.43 -0.75 4.35 3.94 2r9yA1 LEU 90 HB2 -0.12 0.18 0.07 -0.04 1.64 1.73 2r9yA1 LEU 90 HB3 -0.08 -0.09 0.03 -0.04 1.64 1.45 2r9yA1 LEU 90 HG -0.01 0.19 0.02 -0.04 1.64 1.80 2r9yA1 LEU 90 HD13 -0.10 -0.01 -0.10 -0.04 0.93 0.67 2r9yA1 LEU 90 HD23 0.02 -0.04 -0.05 -0.04 0.89 0.78 2r9yA1 SER 91 H -0.03 0.51 -0.53 -0.55 8.46 7.85 2r9yA1 SER 91 HA -0.00 -0.06 0.45 -0.75 4.49 4.13 2r9yA1 SER 91 HB2 0.09 -0.20 -0.27 -0.04 3.95 3.53 2r9yA1 SER 91 HB3 0.01 0.10 -0.06 -0.04 3.93 3.94 2r9yA1 HIS 92 H -0.04 0.49 -0.24 -0.55 8.41 8.08 2r9yA1 HIS 92 HA -0.02 0.05 0.47 -0.75 4.63 4.38 2r9yA1 HIS 92 HB2 -0.17 0.45 0.19 -0.04 3.26 3.70 2r9yA1 HIS 92 HB3 -0.04 -0.11 -0.13 -0.04 3.20 2.87 2r9yA1 HIS 92 HD2 -0.15 -0.07 -0.00 -0.04 6.97 6.71 2r9yA1 HIS 92 HE1 -0.47 0.11 -0.03 -0.04 7.75 7.31 2r9yA1 LEU 93 H 0.08 0.29 -0.24 -0.55 8.37 7.95 2r9yA1 LEU 93 HA 0.07 0.03 0.39 -0.75 4.35 4.09 2r9yA1 LEU 93 HB2 -0.01 0.20 0.12 -0.04 1.64 1.91 2r9yA1 LEU 93 HB3 -0.03 -0.08 -0.06 -0.04 1.64 1.44 2r9yA1 LEU 93 HG 0.01 0.07 -0.03 -0.04 1.64 1.65 2r9yA1 LEU 93 HD13 -0.05 -0.01 -0.05 -0.04 0.93 0.77 2r9yA1 LEU 93 HD23 -0.03 -0.01 -0.10 -0.04 0.89 0.71 2r9yA1 ALA 94 H 0.03 0.58 -0.10 -0.55 8.40 8.37 2r9yA1 ALA 94 HA 0.03 -0.05 0.35 -0.75 4.34 3.91 2r9yA1 ALA 94 HB3 -0.02 0.03 0.07 -0.04 1.41 1.45 2r9yA1 LEU 95 H 0.17 0.48 -0.45 -0.55 8.37 8.03 2r9yA1 LEU 95 HA 0.16 -0.03 0.36 -0.75 4.35 4.09 2r9yA1 LEU 95 HB2 0.21 0.00 0.10 -0.04 1.64 1.91 2r9yA1 LEU 95 HB3 0.37 0.24 0.09 -0.04 1.64 2.30 2r9yA1 LEU 95 HG 0.32 -0.01 -0.16 -0.04 1.64 1.74 2r9yA1 LEU 95 HD13 0.06 -0.03 0.01 -0.04 0.93 0.94 2r9yA1 LEU 95 HD23 -0.12 -0.02 -0.11 -0.04 0.89 0.61 2r9yA1 GLY 96 H 0.17 0.40 -0.47 -0.55 8.43 7.98 2r9yA1 GLY 96 HA2 0.04 0.13 0.72 -0.51 4.01 4.39 2r9yA1 GLY 96 HA3 -0.23 -0.06 0.16 -0.51 4.01 3.37 2r9yA1 ALA 97 H 0.05 0.32 -0.19 -0.55 8.40 8.04 2r9yA1 ALA 97 HA -0.02 0.08 0.73 -0.75 4.34 4.37 2r9yA1 ALA 97 HB3 0.01 -0.02 -0.05 -0.04 1.41 1.31 2r9yA1 GLN 98 H -0.00 0.49 0.36 -0.55 8.47 8.77 2r9yA1 GLN 98 HA 0.03 0.24 0.66 -0.75 4.36 4.53 2r9yA1 GLN 98 HB2 -0.00 -0.09 -0.01 -0.04 2.15 2.01 2r9yA1 GLN 98 HB3 0.01 -0.04 0.10 -0.04 2.02 2.05 2r9yA1 GLN 98 HG2 0.02 0.07 0.05 -0.04 2.40 2.50 2r9yA1 GLN 98 HG3 0.01 0.09 -0.52 -0.04 2.39 1.93 2r9yA1 GLN 98 HE21 0.00 0.05 -0.23 -0.04 6.97 6.75 2r9yA1 GLN 98 HE22 0.00 0.06 -0.27 -0.04 7.69 7.44 2r9yA1 ASN 99 H 0.02 0.21 0.15 -0.55 8.53 8.37 2r9yA1 ASN 99 HA 0.02 0.12 0.38 -0.75 4.76 4.52 2r9yA1 ASN 99 HB2 0.00 0.03 -0.06 -0.04 2.88 2.81 2r9yA1 ASN 99 HB3 -0.00 0.02 0.22 -0.04 2.79 2.99 2r9yA1 ASN 99 HD21 -0.00 0.06 0.02 -0.04 7.03 7.07 2r9yA1 ASN 99 HD22 -0.00 0.01 0.03 -0.04 7.74 7.74 2r9yA1 GLN 100 H 0.00 0.17 0.24 -0.55 8.47 8.33 2r9yA1 GLN 100 HA 0.03 0.07 0.32 -0.75 4.36 4.03 2r9yA1 GLN 100 HB2 -0.03 0.06 0.12 -0.04 2.15 2.25 2r9yA1 GLN 100 HB3 -0.03 0.02 0.17 -0.04 2.02 2.14 2r9yA1 GLN 100 HG2 -0.00 0.02 -0.23 -0.04 2.40 2.14 2r9yA1 GLN 100 HG3 -0.02 0.07 0.01 -0.04 2.39 2.41 2r9yA1 GLN 100 HE21 -0.01 0.05 0.04 -0.04 6.97 7.01 2r9yA1 GLN 100 HE22 -0.01 0.04 0.00 -0.04 7.69 7.68 2r9yA1 THR 101 H 0.01 0.17 0.03 -0.55 8.28 7.94 2r9yA1 THR 101 HA -0.00 0.05 0.51 -0.75 4.39 4.19 2r9yA1 THR 101 HB -0.01 0.21 0.28 -0.04 4.32 4.76 2r9yA1 THR 101 HG23 -0.04 0.02 -0.13 -0.04 1.22 1.02 2r9yA1 LEU 102 H 0.04 0.40 -0.36 -0.55 8.37 7.90 2r9yA1 LEU 102 HA 0.07 0.04 0.32 -0.75 4.35 4.03 2r9yA1 LEU 102 HB2 0.06 -0.00 -0.40 -0.04 1.64 1.26 2r9yA1 LEU 102 HB3 0.07 0.09 -0.17 -0.04 1.64 1.59 2r9yA1 LEU 102 HG 0.16 -0.01 -0.30 -0.04 1.64 1.45 2r9yA1 LEU 102 HD13 0.18 0.04 0.01 -0.04 0.93 1.12 2r9yA1 LEU 102 HD23 0.06 0.02 -0.05 -0.04 0.89 0.88 2r9yA1 HIS 103 H 0.15 0.50 -0.17 -0.55 8.41 8.34 2r9yA1 HIS 103 HA 0.03 0.02 0.34 -0.75 4.63 4.27 2r9yA1 HIS 103 HB2 -0.01 -0.01 0.04 -0.04 3.26 3.25 2r9yA1 HIS 103 HB3 0.00 0.08 0.13 -0.04 3.20 3.37 2r9yA1 HIS 103 HD2 -0.03 -0.01 -0.01 -0.04 6.97 6.87 2r9yA1 HIS 103 HE1 -0.01 0.03 -0.04 -0.04 7.75 7.69 2r9yA1 SER 104 H 0.13 0.62 -0.15 -0.55 8.46 8.51 2r9yA1 SER 104 HA 0.12 0.01 0.37 -0.75 4.49 4.23 2r9yA1 SER 104 HB2 0.04 0.06 0.08 -0.04 3.95 4.09 2r9yA1 SER 104 HB3 0.06 0.04 0.17 -0.04 3.93 4.16 2r9yA1 LEU 105 H 0.03 0.51 -0.19 -0.55 8.37 8.17 2r9yA1 LEU 105 HA -0.06 0.01 0.46 -0.75 4.35 4.00 2r9yA1 LEU 105 HB2 -0.02 0.17 0.15 -0.04 1.64 1.90 2r9yA1 LEU 105 HB3 -0.11 -0.03 -0.05 -0.04 1.64 1.41 2r9yA1 LEU 105 HG -0.04 -0.02 -0.01 -0.04 1.64 1.53 2r9yA1 LEU 105 HD13 -0.03 -0.03 -0.17 -0.04 0.93 0.67 2r9yA1 LEU 105 HD23 -0.07 0.00 -0.02 -0.04 0.89 0.76 2r9yA1 HIS 106 H 0.09 0.49 -0.12 -0.55 8.41 8.33 2r9yA1 HIS 106 HA -0.08 -0.01 0.39 -0.75 4.63 4.18 2r9yA1 HIS 106 HB2 -0.19 0.10 0.15 -0.04 3.26 3.29 2r9yA1 HIS 106 HB3 -0.14 0.13 -0.08 -0.04 3.20 3.06 2r9yA1 HIS 106 HD2 -0.04 0.16 -0.09 -0.04 6.97 6.96 2r9yA1 HIS 106 HE1 -0.01 0.28 -0.01 -0.04 7.75 7.96 2r9yA1 ARG 107 H -0.04 0.54 -0.13 -0.55 8.46 8.27 2r9yA1 ARG 107 HA -0.09 0.00 0.27 -0.75 4.34 3.76 2r9yA1 ARG 107 HB2 -0.06 -0.02 0.07 -0.04 1.90 1.85 2r9yA1 ARG 107 HB3 0.01 0.07 0.16 -0.04 1.80 2.01 2r9yA1 ARG 107 HG2 -0.04 0.07 -0.16 -0.04 1.67 1.50 2r9yA1 ARG 107 HG3 -0.02 -0.05 0.02 -0.04 1.67 1.57 2r9yA1 ARG 107 HD2 0.05 -0.01 -0.01 -0.04 3.22 3.20 2r9yA1 ARG 107 HD3 0.16 -0.06 -0.02 -0.04 3.22 3.26 2r9yA1 VAL 108 H -0.05 0.54 -0.16 -0.55 8.24 8.03 2r9yA1 VAL 108 HA -0.05 0.09 0.37 -0.75 4.13 3.78 2r9yA1 VAL 108 HB -0.03 0.08 0.10 -0.04 2.12 2.23 2r9yA1 VAL 108 HG13 0.08 -0.03 -0.16 -0.04 0.97 0.83 2r9yA1 VAL 108 HG23 0.04 0.03 -0.11 -0.04 0.95 0.87 2r9yA1 LEU 109 H -0.12 0.41 -0.28 -0.55 8.37 7.83 2r9yA1 LEU 109 HA -0.17 0.09 0.61 -0.75 4.35 4.13 2r9yA1 LEU 109 HB2 -0.18 0.06 0.05 -0.04 1.64 1.53 2r9yA1 LEU 109 HB3 -0.23 -0.07 0.10 -0.04 1.64 1.40 2r9yA1 LEU 109 HG -0.33 0.02 -0.02 -0.04 1.64 1.26 2r9yA1 LEU 109 HD13 -0.24 -0.02 -0.10 -0.04 0.93 0.53 2r9yA1 LEU 109 HD23 -1.10 -0.01 -0.06 -0.04 0.89 -0.33 2r9yA1 HIS 110 H -0.11 0.36 -0.67 -0.55 8.41 7.44 2r9yA1 HIS 110 HA 0.03 0.06 0.25 -0.75 4.63 4.22 2r9yA1 HIS 110 HB2 0.07 0.12 -0.06 -0.04 3.26 3.36 2r9yA1 HIS 110 HB3 0.06 -0.10 0.17 -0.04 3.20 3.28 2r9yA1 HIS 110 HD2 0.18 0.06 -0.21 -0.04 6.97 6.95 2r9yA1 HIS 110 HE1 0.07 -0.06 -0.01 -0.04 7.75 7.71 2r9yA1 MET 111 H 0.02 0.54 -0.28 -0.55 8.47 8.20 2r9yA1 MET 111 HA 0.06 0.07 0.68 -0.75 4.52 4.57 2r9yA1 MET 111 HB2 -0.03 0.09 -0.11 -0.04 2.15 2.06 2r9yA1 MET 111 HB3 0.03 -0.06 -0.03 -0.04 2.03 1.93 2r9yA1 MET 111 HG2 -0.01 -0.09 -0.16 -0.04 2.63 2.33 2r9yA1 MET 111 HG3 0.11 0.10 -0.15 -0.04 2.56 2.57 2r9yA1 MET 111 HE3 -0.03 0.02 -0.08 -0.04 2.10 1.97 2r9yA1 ASN 112 H 0.05 0.14 0.11 -0.55 8.53 8.28 2r9yA1 ASN 112 HA 0.01 0.06 0.50 -0.75 4.76 4.58 2r9yA1 ASN 112 HB2 0.02 0.11 0.12 -0.04 2.88 3.08 2r9yA1 ASN 112 HB3 0.02 -0.02 0.11 -0.04 2.79 2.87 2r9yA1 ASN 112 HD21 -0.01 0.07 -0.05 -0.04 7.03 7.00 2r9yA1 ASN 112 HD22 0.00 0.02 -0.10 -0.04 7.74 7.62 2r9yA1 THR 113 H -0.08 0.14 0.14 -0.55 8.28 7.93 2r9yA1 THR 113 HA -0.55 0.20 0.36 -0.75 4.39 3.65 2r9yA1 THR 113 HB -0.35 0.00 0.11 -0.04 4.32 4.05 2r9yA1 THR 113 HG23 -0.35 0.01 0.02 -0.04 1.22 0.87 2r9yA1 GLY 114 H -0.05 -0.04 -0.44 -0.55 8.43 7.35 2r9yA1 GLY 114 HA2 -0.05 0.12 0.59 -0.51 4.01 4.16 2r9yA1 GLY 114 HA3 -0.03 -0.04 0.22 -0.51 4.01 3.65 2r9yA1 SER 115 H 0.02 0.30 -0.27 -0.55 8.46 7.96 2r9yA1 SER 115 HA 0.01 0.14 0.73 -0.75 4.49 4.61 2r9yA1 SER 115 HB2 0.05 0.09 0.01 -0.04 3.95 4.07 2r9yA1 SER 115 HB3 0.05 -0.00 -0.08 -0.04 3.93 3.85 2r9yA1 CYS 116 H 0.03 0.13 0.07 -0.55 8.50 8.18 2r9yA1 CYS 116 HA 0.12 0.20 0.76 -0.75 4.58 4.91 2r9yA1 CYS 116 HB2 -0.05 0.09 0.01 -0.04 2.97 2.98 2r9yA1 CYS 116 HB3 -0.02 -0.06 0.16 -0.04 2.97 3.01 2r9yA1 LEU 117 H 0.07 0.26 0.04 -0.55 8.37 8.20 2r9yA1 LEU 117 HA 0.01 0.03 0.25 -0.75 4.35 3.88 2r9yA1 LEU 117 HB2 -0.09 0.02 0.08 -0.04 1.64 1.61 2r9yA1 LEU 117 HB3 -0.07 0.02 -0.10 -0.04 1.64 1.45 2r9yA1 LEU 117 HG -0.52 0.04 -0.07 -0.04 1.64 1.04 2r9yA1 LEU 117 HD13 -0.51 0.01 -0.17 -0.04 0.93 0.22 2r9yA1 LEU 117 HD23 -0.16 0.01 -0.09 -0.04 0.89 0.60 2r9yA1 PRO 118 HA 0.19 0.09 0.35 -0.51 4.44 4.56 2r9yA1 PRO 118 HB2 -0.03 -0.01 -0.01 -0.04 2.28 2.19 2r9yA1 PRO 118 HB3 0.07 0.10 -0.02 -0.04 2.02 2.14 2r9yA1 PRO 118 HG2 0.13 0.06 -0.01 -0.04 2.03 2.16 2r9yA1 PRO 118 HG3 0.15 0.30 0.05 -0.04 2.03 2.48 2r9yA1 PRO 118 HD2 0.15 0.01 -0.11 -0.04 3.68 3.69 2r9yA1 PRO 118 HD3 0.07 0.07 0.05 -0.04 3.65 3.80 2r9yA1 HIS 119 H 0.25 0.08 -0.27 -0.55 8.41 7.93 2r9yA1 HIS 119 HA -0.02 0.09 0.33 -0.75 4.63 4.26 2r9yA1 HIS 119 HB2 0.00 -0.01 0.11 -0.04 3.26 3.32 2r9yA1 HIS 119 HB3 -0.01 0.05 -0.03 -0.04 3.20 3.16 2r9yA1 HIS 119 HD2 -0.03 0.05 -0.02 -0.04 6.97 6.93 2r9yA1 HIS 119 HE1 -0.02 0.01 -0.02 -0.04 7.75 7.68 2r9yA1 LEU 120 H 0.14 0.57 -0.02 -0.55 8.37 8.51 2r9yA1 LEU 120 HA 0.12 0.00 0.35 -0.75 4.35 4.07 2r9yA1 LEU 120 HB2 0.07 0.07 0.07 -0.04 1.64 1.81 2r9yA1 LEU 120 HB3 0.07 -0.01 -0.07 -0.04 1.64 1.59 2r9yA1 LEU 120 HG 0.06 0.03 -0.03 -0.04 1.64 1.65 2r9yA1 LEU 120 HD13 0.03 -0.01 -0.09 -0.04 0.93 0.82 2r9yA1 LEU 120 HD23 0.03 -0.02 -0.04 -0.04 0.89 0.83 2r9yA1 LEU 121 H 0.11 0.62 -0.10 -0.55 8.37 8.45 2r9yA1 LEU 121 HA 0.20 -0.02 0.30 -0.75 4.35 4.08 2r9yA1 LEU 121 HB2 0.13 0.15 0.09 -0.04 1.64 1.96 2r9yA1 LEU 121 HB3 0.15 -0.04 -0.07 -0.04 1.64 1.63 2r9yA1 LEU 121 HG 0.04 -0.06 -0.03 -0.04 1.64 1.55 2r9yA1 LEU 121 HD13 -0.01 0.00 -0.24 -0.04 0.93 0.64 2r9yA1 LEU 121 HD23 0.05 -0.01 -0.07 -0.04 0.89 0.82 2r9yA1 SER 122 H 0.14 0.68 -0.03 -0.55 8.46 8.71 2r9yA1 SER 122 HA 0.23 0.00 0.49 -0.75 4.49 4.46 2r9yA1 SER 122 HB2 -0.11 -0.05 0.13 -0.04 3.95 3.88 2r9yA1 SER 122 HB3 -0.08 0.06 0.21 -0.04 3.93 4.07 2r9yA1 HIS 123 H 0.21 0.68 -0.02 -0.55 8.41 8.73 2r9yA1 HIS 123 HA 0.05 0.00 0.40 -0.75 4.63 4.33 2r9yA1 HIS 123 HB2 0.06 0.00 0.12 -0.04 3.26 3.41 2r9yA1 HIS 123 HB3 0.11 0.06 0.13 -0.04 3.20 3.46 2r9yA1 HIS 123 HD2 0.03 -0.01 0.02 -0.04 6.97 6.97 2r9yA1 HIS 123 HE1 0.05 -0.03 -0.02 -0.04 7.75 7.71 2r9yA1 PHE 124 H 0.37 0.53 -0.18 -0.55 8.34 8.50 2r9yA1 PHE 124 HA 0.10 -0.01 0.39 -0.75 4.62 4.34 2r9yA1 PHE 124 HB2 0.14 -0.04 0.07 -0.04 3.15 3.27 2r9yA1 PHE 124 HB3 0.14 0.11 0.14 -0.04 3.06 3.42 2r9yA1 PHE 124 HD2 0.13 0.02 -0.08 -0.04 7.28 7.31 2r9yA1 PHE 124 HE2 0.13 -0.06 -0.08 -0.04 7.38 7.33 2r9yA1 PHE 124 HZ 0.13 -0.04 -0.04 -0.04 7.32 7.33 2r9yA1 TYR 125 H 0.33 0.58 -0.07 -0.55 8.29 8.58 2r9yA1 TYR 125 HA -0.19 -0.01 0.48 -0.75 4.56 4.08 2r9yA1 TYR 125 HB2 0.16 -0.05 0.10 -0.04 3.06 3.22 2r9yA1 TYR 125 HB3 0.10 0.14 0.17 -0.04 2.98 3.35 2r9yA1 TYR 125 HD2 0.07 0.02 -0.07 -0.04 7.15 7.12 2r9yA1 TYR 125 HE2 0.07 -0.01 -0.05 -0.04 6.85 6.81 2r9yA1 GLN 126 H 0.03 0.68 -0.02 -0.55 8.47 8.61 2r9yA1 GLN 126 HA -0.17 0.00 0.40 -0.75 4.36 3.83 2r9yA1 GLN 126 HB2 -0.10 0.08 0.14 -0.04 2.15 2.23 2r9yA1 GLN 126 HB3 -0.09 -0.08 0.05 -0.04 2.02 1.86 2r9yA1 GLN 126 HG2 0.06 -0.06 0.05 -0.04 2.40 2.41 2r9yA1 GLN 126 HG3 0.11 0.16 0.08 -0.04 2.39 2.70 2r9yA1 GLN 126 HE21 -0.05 0.03 0.03 -0.04 6.97 6.95 2r9yA1 GLN 126 HE22 0.02 0.16 0.00 -0.04 7.69 7.83 2r9yA1 ASN 127 H -0.27 0.38 -0.48 -0.55 8.53 7.62 2r9yA1 ASN 127 HA -0.18 0.08 0.68 -0.75 4.76 4.58 2r9yA1 ASN 127 HB2 -0.25 0.16 0.12 -0.04 2.88 2.87 2r9yA1 ASN 127 HB3 -0.14 -0.09 0.16 -0.04 2.79 2.68 2r9yA1 ASN 127 HD21 -0.69 -0.09 -0.00 -0.04 7.03 6.20 2r9yA1 ASN 127 HD22 -0.82 0.59 0.12 -0.04 7.74 7.59 2r9yA1 LEU 128 H -0.36 0.46 -0.35 -0.55 8.37 7.58 2r9yA1 LEU 128 HA -0.21 0.01 0.45 -0.75 4.35 3.84 2r9yA1 LEU 128 HB2 -0.41 0.14 0.12 -0.04 1.64 1.45 2r9yA1 LEU 128 HB3 -0.16 -0.03 0.08 -0.04 1.64 1.49 2r9yA1 LEU 128 HG -0.55 0.16 0.15 -0.04 1.64 1.36 2r9yA1 LEU 128 HD13 -0.03 -0.04 0.01 -0.04 0.93 0.84 2r9yA1 LEU 128 HD23 -0.34 -0.04 0.03 -0.04 0.89 0.50 2r9yA1 GLY 129 H -0.17 0.10 -0.35 -0.55 8.43 7.46 2r9yA1 GLY 129 HA2 -0.09 -0.01 0.38 -0.51 4.01 3.78 2r9yA1 GLY 129 HA3 -0.07 0.10 0.62 -0.51 4.01 4.15 2r9yA1 PRO 130 HA -0.09 0.10 0.12 -0.51 4.44 4.06 2r9yA1 PRO 130 HB2 -0.06 0.01 0.09 -0.04 2.28 2.29 2r9yA1 PRO 130 HB3 -0.07 0.05 0.12 -0.04 2.02 2.09 2r9yA1 PRO 130 HG2 -0.07 0.03 0.00 -0.04 2.03 1.95 2r9yA1 PRO 130 HG3 -0.06 0.03 0.08 -0.04 2.03 2.04 2r9yA1 PRO 130 HD2 -0.07 0.10 0.12 -0.04 3.68 3.79 2r9yA1 PRO 130 HD3 -0.07 0.11 0.23 -0.04 3.65 3.87 2r9yA1 GLY 131 H -0.05 0.17 0.13 -0.55 8.43 8.14 2r9yA1 GLY 131 HA2 -0.04 0.02 0.29 -0.51 4.01 3.77 2r9yA1 GLY 131 HA3 -0.06 0.10 0.28 -0.51 4.01 3.82 2r9yA1 THR 132 H -0.07 0.02 -0.13 -0.55 8.28 7.55 2r9yA1 THR 132 HA -0.24 0.39 1.05 -0.75 4.39 4.84 2r9yA1 THR 132 HB -0.12 0.10 0.03 -0.04 4.32 4.29 2r9yA1 THR 132 HG23 -0.72 -0.03 -0.22 -0.04 1.22 0.21 2r9yA1 ILE 133 H -0.01 0.11 0.12 -0.55 8.25 7.92 2r9yA1 ILE 133 HA 0.15 0.36 1.08 -0.75 4.18 5.02 2r9yA1 ILE 133 HB 0.19 0.02 0.13 -0.04 1.89 2.18 2r9yA1 ILE 133 HG12 0.71 0.03 -0.06 -0.04 1.49 2.12 2r9yA1 ILE 133 HG13 0.35 -0.07 -0.19 -0.04 1.21 1.26 2r9yA1 ILE 133 HG23 0.42 -0.01 -0.23 -0.04 0.93 1.07 2r9yA1 ILE 133 HD13 0.41 -0.00 -0.07 -0.04 0.88 1.18 2r9yA1 ARG 134 H 0.18 0.63 0.32 -0.55 8.46 9.04 2r9yA1 ARG 134 HA 0.11 0.17 0.95 -0.75 4.34 4.82 2r9yA1 ARG 134 HB2 0.07 -0.13 0.17 -0.04 1.90 1.97 2r9yA1 ARG 134 HB3 -0.00 0.06 0.14 -0.04 1.80 1.97 2r9yA1 ARG 134 HG2 0.08 0.00 -0.12 -0.04 1.67 1.59 2r9yA1 ARG 134 HG3 -0.03 0.20 -0.02 -0.04 1.67 1.78 2r9yA1 ARG 134 HD2 -0.02 0.03 -0.13 -0.04 3.22 3.06 2r9yA1 ARG 134 HD3 0.03 0.07 -0.24 -0.04 3.22 3.03 2r9yA1 LEU 135 H 0.10 0.33 0.20 -0.55 8.37 8.45 2r9yA1 LEU 135 HA 0.04 0.20 1.13 -0.75 4.35 4.96 2r9yA1 LEU 135 HB2 0.03 -0.03 -0.18 -0.04 1.64 1.41 2r9yA1 LEU 135 HB3 -0.10 0.04 0.03 -0.04 1.64 1.57 2r9yA1 LEU 135 HG -0.09 0.01 -0.08 -0.04 1.64 1.45 2r9yA1 LEU 135 HD13 -0.43 -0.02 -0.06 -0.04 0.93 0.38 2r9yA1 LEU 135 HD23 -0.29 0.00 -0.26 -0.04 0.89 0.31 2r9yA1 ALA 136 H -0.02 0.75 0.35 -0.55 8.40 8.93 2r9yA1 ALA 136 HA 0.01 0.20 0.89 -0.75 4.34 4.69 2r9yA1 ALA 136 HB3 -0.11 -0.03 -0.01 -0.04 1.41 1.22 2r9yA1 ALA 137 H 0.26 0.33 0.09 -0.55 8.40 8.53 2r9yA1 ALA 137 HA 0.02 0.37 0.97 -0.75 4.34 4.95 2r9yA1 ALA 137 HB3 -0.01 0.00 0.01 -0.04 1.41 1.37 2r9yA1 ARG 138 H -0.07 0.47 0.26 -0.55 8.46 8.56 2r9yA1 ARG 138 HA -0.37 0.21 0.79 -0.75 4.34 4.22 2r9yA1 ARG 138 HB2 -0.56 0.01 -0.29 -0.04 1.90 1.01 2r9yA1 ARG 138 HB3 -0.16 -0.11 -0.11 -0.04 1.80 1.38 2r9yA1 ARG 138 HG2 -1.15 -0.08 -0.10 -0.04 1.67 0.30 2r9yA1 ARG 138 HG3 -0.64 -0.02 0.03 -0.04 1.67 1.00 2r9yA1 ARG 138 HD2 -0.44 0.14 -0.04 -0.04 3.22 2.84 2r9yA1 ARG 138 HD3 -1.88 -0.05 -0.11 -0.04 3.22 1.15 2r9yA1 ILE 139 H -0.33 0.23 0.15 -0.55 8.25 7.74 2r9yA1 ILE 139 HA -0.08 0.23 1.07 -0.75 4.18 4.64 2r9yA1 ILE 139 HB -0.04 -0.01 0.15 -0.04 1.89 1.94 2r9yA1 ILE 139 HG12 -0.08 -0.01 -0.06 -0.04 1.49 1.30 2r9yA1 ILE 139 HG13 -0.35 -0.01 -0.13 -0.04 1.21 0.68 2r9yA1 ILE 139 HG23 -0.00 -0.01 -0.20 -0.04 0.93 0.67 2r9yA1 ILE 139 HD13 0.26 -0.01 -0.15 -0.04 0.88 0.94 2r9yA1 TYR 140 H 0.12 0.77 0.37 -0.55 8.29 9.00 2r9yA1 TYR 140 HA -0.08 0.29 1.06 -0.75 4.56 5.08 2r9yA1 TYR 140 HB2 -0.04 -0.04 0.11 -0.04 3.06 3.06 2r9yA1 TYR 140 HB3 -0.04 -0.04 -0.05 -0.04 2.98 2.81 2r9yA1 TYR 140 HD2 -0.08 0.01 -0.21 -0.04 7.15 6.83 2r9yA1 TYR 140 HE2 -0.16 0.01 -0.13 -0.04 6.85 6.52 2r9yA1 LEU 141 H 0.03 0.82 0.38 -0.55 8.37 9.05 2r9yA1 LEU 141 HA -0.03 0.28 1.15 -0.75 4.35 5.00 2r9yA1 LEU 141 HB2 0.01 0.06 0.01 -0.04 1.64 1.68 2r9yA1 LEU 141 HB3 0.02 0.12 -0.02 -0.04 1.64 1.72 2r9yA1 LEU 141 HG -0.03 -0.07 -0.31 -0.04 1.64 1.19 2r9yA1 LEU 141 HD13 0.00 0.01 -0.19 -0.04 0.93 0.72 2r9yA1 LEU 141 HD23 -0.21 0.00 -0.03 -0.04 0.89 0.62 2r9yA1 GLN 142 H -0.03 0.46 0.26 -0.55 8.47 8.61 2r9yA1 GLN 142 HA 0.09 -0.03 0.48 -0.75 4.36 4.14 2r9yA1 GLN 142 HB2 0.07 0.19 0.30 -0.04 2.15 2.67 2r9yA1 GLN 142 HB3 0.42 -0.06 0.07 -0.04 2.02 2.41 2r9yA1 GLN 142 HG2 0.15 -0.17 0.10 -0.04 2.40 2.43 2r9yA1 GLN 142 HG3 0.10 -0.02 0.12 -0.04 2.39 2.54 2r9yA1 GLN 142 HE21 0.09 -0.11 -0.08 -0.04 6.97 6.83 2r9yA1 GLN 142 HE22 0.07 -0.09 0.01 -0.04 7.69 7.65 2r9yA1 LYS 143 H 0.10 0.07 0.14 -0.55 8.42 8.18 2r9yA1 LYS 143 HA 0.07 0.14 0.28 -0.75 4.32 4.05 2r9yA1 GLY 144 H 0.09 0.02 -0.20 -0.55 8.43 7.79 2r9yA1 GLY 144 HA2 -0.05 0.11 0.31 -0.51 4.01 3.87 2r9yA1 GLY 144 HA3 -0.14 -0.03 0.28 -0.51 4.01 3.62 2r9yA1 PHE 145 H 0.20 0.39 -0.59 -0.55 8.34 7.78 2r9yA1 PHE 145 HA -0.00 0.22 0.88 -0.75 4.62 4.95 2r9yA1 PHE 145 HB2 0.00 0.11 0.01 -0.04 3.15 3.23 2r9yA1 PHE 145 HB3 -0.01 0.02 -0.14 -0.04 3.06 2.89 2r9yA1 PHE 145 HD2 -0.01 -0.01 -0.15 -0.04 7.28 7.07 2r9yA1 PHE 145 HE2 -0.00 -0.15 -0.03 -0.04 7.38 7.15 2r9yA1 PHE 145 HZ -0.00 0.04 -0.04 -0.04 7.32 7.28 2r9yA1 PRO 146 HA 0.05 0.07 0.57 -0.51 4.44 4.62 2r9yA1 PRO 146 HB2 0.03 -0.00 -0.04 -0.04 2.28 2.22 2r9yA1 PRO 146 HB3 0.01 0.03 0.08 -0.04 2.02 2.10 2r9yA1 PRO 146 HG2 0.02 -0.09 0.12 -0.04 2.03 2.04 2r9yA1 PRO 146 HG3 -0.01 0.04 0.09 -0.04 2.03 2.10 2r9yA1 PRO 146 HD2 -0.01 0.09 0.29 -0.04 3.68 4.01 2r9yA1 PRO 146 HD3 -0.06 0.28 0.15 -0.04 3.65 3.98 2r9yA1 ILE 147 H 0.05 0.14 0.17 -0.55 8.25 8.07 2r9yA1 ILE 147 HA 0.05 0.33 0.93 -0.75 4.18 4.74 2r9yA1 ILE 147 HB 0.08 -0.06 0.04 -0.04 1.89 1.90 2r9yA1 ILE 147 HG12 0.07 0.00 -0.19 -0.04 1.49 1.33 2r9yA1 ILE 147 HG13 0.07 0.05 -0.18 -0.04 1.21 1.12 2r9yA1 ILE 147 HG23 0.21 0.04 -0.05 -0.04 0.93 1.09 2r9yA1 ILE 147 HD13 0.06 -0.01 -0.15 -0.04 0.88 0.74 2r9yA1 LYS 148 H 0.06 0.75 0.27 -0.55 8.42 8.94 2r9yA1 LYS 148 HA 0.05 0.02 0.56 -0.75 4.32 4.20 2r9yA1 LYS 148 HB2 0.08 0.22 0.15 -0.04 1.87 2.28 2r9yA1 LYS 148 HB3 0.07 -0.16 0.06 -0.04 1.79 1.72 2r9yA1 LYS 148 HG2 0.03 -0.06 -0.04 -0.04 1.46 1.34 2r9yA1 LYS 148 HG3 0.01 0.08 -0.26 -0.04 1.46 1.25 2r9yA1 LYS 148 HD2 0.01 0.19 -0.13 -0.04 1.69 1.72 2r9yA1 LYS 148 HD3 0.03 -0.10 -0.02 -0.04 1.68 1.54 2r9yA1 LYS 148 HE2 0.01 -0.08 -0.05 -0.04 2.99 2.83 2r9yA1 LYS 148 HE3 0.00 -0.11 -0.21 -0.04 2.99 2.63 2r9yA1 ASP 149 H 0.05 0.18 0.23 -0.55 8.40 8.31 2r9yA1 ASP 149 HA 0.05 0.11 0.39 -0.75 4.63 4.42 2r9yA1 ASP 150 H 0.06 0.09 -0.14 -0.55 8.40 7.87 2r9yA1 ASP 150 HA 0.04 0.06 0.42 -0.75 4.63 4.39 2r9yA1 ASP 150 HB2 0.06 -0.04 0.11 -0.04 2.71 2.79 2r9yA1 ASP 150 HB3 0.09 0.12 -0.01 -0.04 2.70 2.87 2r9yA1 PHE 151 H 0.21 0.22 -0.29 -0.55 8.34 7.93 2r9yA1 PHE 151 HA 0.03 0.06 0.47 -0.75 4.62 4.43 2r9yA1 PHE 151 HB2 0.03 0.28 0.17 -0.04 3.15 3.58 2r9yA1 PHE 151 HB3 0.02 0.11 0.18 -0.04 3.06 3.33 2r9yA1 PHE 151 HD2 0.03 0.05 -0.14 -0.04 7.28 7.18 2r9yA1 PHE 151 HE2 0.05 0.01 -0.10 -0.04 7.38 7.30 2r9yA1 PHE 151 HZ 0.08 0.02 -0.08 -0.04 7.32 7.30 2r9yA1 LEU 152 H 0.10 0.37 -0.10 -0.55 8.37 8.18 2r9yA1 LEU 152 HA -0.09 0.07 0.57 -0.75 4.35 4.15 2r9yA1 LEU 152 HB2 0.02 0.08 0.17 -0.04 1.64 1.87 2r9yA1 LEU 152 HB3 -0.01 -0.02 0.02 -0.04 1.64 1.58 2r9yA1 LEU 152 HG 0.09 0.09 -0.09 -0.04 1.64 1.70 2r9yA1 LEU 152 HD13 0.03 -0.02 -0.03 -0.04 0.93 0.87 2r9yA1 LEU 152 HD23 0.03 -0.00 0.01 -0.04 0.89 0.88 2r9yA1 GLU 153 H -0.01 0.57 -0.01 -0.55 8.60 8.60 2r9yA1 GLU 153 HA -0.04 0.03 0.43 -0.75 4.29 3.97 2r9yA1 GLU 153 HB2 -0.00 0.08 0.16 -0.04 2.09 2.28 2r9yA1 GLU 153 HB3 -0.02 -0.01 -0.01 -0.04 1.99 1.91 2r9yA1 GLU 153 HG2 -0.01 -0.01 0.03 -0.04 2.34 2.32 2r9yA1 GLU 153 HG3 -0.00 -0.01 0.04 -0.04 2.34 2.33 2r9yA1 GLN 154 H -0.07 0.50 -0.17 -0.55 8.47 8.19 2r9yA1 GLN 154 HA -0.11 0.02 0.45 -0.75 4.36 3.96 2r9yA1 GLN 154 HB2 -0.08 0.07 0.16 -0.04 2.15 2.26 2r9yA1 GLN 154 HB3 -0.11 -0.03 -0.01 -0.04 2.02 1.83 2r9yA1 GLN 154 HG2 0.01 0.17 0.10 -0.04 2.40 2.64 2r9yA1 GLN 154 HG3 0.04 -0.01 0.01 -0.04 2.39 2.38 2r9yA1 GLN 154 HE21 -0.02 -0.01 -0.01 -0.04 6.97 6.89 2r9yA1 GLN 154 HE22 -0.08 0.01 0.01 -0.04 7.69 7.59 2r9yA1 SER 155 H -0.30 0.59 -0.14 -0.55 8.46 8.06 2r9yA1 SER 155 HA -0.06 -0.01 0.43 -0.75 4.49 4.10 2r9yA1 SER 155 HB2 -0.24 0.04 0.24 -0.04 3.95 3.95 2r9yA1 SER 155 HB3 -0.03 0.09 0.12 -0.04 3.93 4.08 2r9yA1 GLU 156 H -0.10 0.52 -0.32 -0.55 8.60 8.16 2r9yA1 GLU 156 HA -0.01 -0.05 0.20 -0.75 4.29 3.68 2r9yA1 GLU 156 HB2 -0.05 0.12 0.17 -0.04 2.09 2.29 2r9yA1 GLU 156 HB3 -0.03 -0.02 -0.10 -0.04 1.99 1.80 2r9yA1 GLU 156 HG2 -0.03 -0.03 -0.12 -0.04 2.34 2.12 2r9yA1 GLU 156 HG3 -0.02 -0.06 -0.07 -0.04 2.34 2.15 2r9yA1 ARG 157 H -0.11 0.54 -0.09 -0.55 8.46 8.24 2r9yA1 ARG 157 HA -0.07 0.01 0.33 -0.75 4.34 3.85 2r9yA1 ARG 157 HB2 -0.07 -0.03 0.11 -0.04 1.90 1.87 2r9yA1 ARG 157 HB3 -0.14 0.06 0.18 -0.04 1.80 1.85 2r9yA1 ARG 157 HG2 -0.14 0.03 -0.23 -0.04 1.67 1.30 2r9yA1 ARG 157 HG3 -0.06 -0.03 0.03 -0.04 1.67 1.56 2r9yA1 ARG 157 HD2 -0.04 -0.04 -0.01 -0.04 3.22 3.09 2r9yA1 ARG 157 HD3 -0.08 -0.01 -0.02 -0.04 3.22 3.07 2r9yA1 LEU 158 H -0.34 0.42 -0.21 -0.55 8.37 7.70 2r9yA1 LEU 158 HA -0.33 0.13 0.59 -0.75 4.35 3.99 2r9yA1 LEU 158 HB2 -1.20 0.08 0.02 -0.04 1.64 0.49 2r9yA1 LEU 158 HB3 -1.05 -0.04 -0.02 -0.04 1.64 0.49 2r9yA1 LEU 158 HG -0.44 -0.02 -0.07 -0.04 1.64 1.08 2r9yA1 LEU 158 HD13 -0.55 -0.03 -0.11 -0.04 0.93 0.20 2r9yA1 LEU 158 HD23 -0.59 -0.00 -0.11 -0.04 0.89 0.15 2r9yA1 PHE 159 H -0.17 0.42 -0.05 -0.55 8.34 7.98 2r9yA1 PHE 159 HA -0.00 0.19 1.00 -0.75 4.62 5.05 2r9yA1 PHE 159 HB2 -0.05 0.20 0.17 -0.04 3.15 3.44 2r9yA1 PHE 159 HB3 0.08 -0.02 0.20 -0.04 3.06 3.27 2r9yA1 PHE 159 HD2 -0.26 0.05 0.02 -0.04 7.28 7.05 2r9yA1 PHE 159 HE2 -0.25 -0.02 -0.05 -0.04 7.38 7.01 2r9yA1 PHE 159 HZ -0.21 -0.09 -0.23 -0.04 7.32 6.75 2r9yA1 GLY 160 H 0.03 0.32 -0.04 -0.55 8.43 8.20 2r9yA1 GLY 160 HA2 0.06 0.03 0.35 -0.51 4.01 3.95 2r9yA1 GLY 160 HA3 0.13 0.05 0.37 -0.51 4.01 4.04 2r9yA1 ALA 161 H 0.14 0.28 -0.44 -0.55 8.40 7.83 2r9yA1 ALA 161 HA 0.06 0.00 0.58 -0.75 4.34 4.23 2r9yA1 ALA 161 HB3 0.16 0.04 -0.07 -0.04 1.41 1.50 2r9yA1 LYS 162 H -0.04 0.09 0.11 -0.55 8.42 8.02 2r9yA1 LYS 162 HA -0.07 0.14 0.65 -0.75 4.32 4.29 2r9yA1 PRO 163 HA -0.31 0.08 0.66 -0.51 4.44 4.37 2r9yA1 PRO 163 HB2 -0.02 0.03 -0.08 -0.04 2.28 2.17 2r9yA1 PRO 163 HB3 -0.01 -0.06 0.15 -0.04 2.02 2.05 2r9yA1 PRO 163 HG2 0.09 -0.01 0.03 -0.04 2.03 2.10 2r9yA1 PRO 163 HG3 0.25 0.03 0.02 -0.04 2.03 2.29 2r9yA1 PRO 163 HD2 -0.07 0.03 0.25 -0.04 3.68 3.84 2r9yA1 PRO 163 HD3 -0.12 0.18 0.20 -0.04 3.65 3.87 2r9yA1 VAL 164 H -0.55 0.40 0.35 -0.55 8.24 7.89 2r9yA1 VAL 164 HA -0.18 0.17 0.76 -0.75 4.13 4.12 2r9yA1 VAL 164 HB -0.89 -0.09 0.05 -0.04 2.12 1.15 2r9yA1 VAL 164 HG13 -0.01 0.00 -0.13 -0.04 0.97 0.79 2r9yA1 VAL 164 HG23 -0.53 0.02 -0.05 -0.04 0.95 0.36 2r9yA1 LYS 165 H -0.03 0.16 0.15 -0.55 8.42 8.14 2r9yA1 LYS 165 HA 0.04 0.26 0.96 -0.75 4.32 4.82 2r9yA1 LYS 165 HB2 0.02 -0.08 0.11 -0.04 1.87 1.89 2r9yA1 LYS 165 HB3 0.05 0.09 -0.06 -0.04 1.79 1.83 2r9yA1 LYS 165 HG2 0.05 0.10 -0.07 -0.04 1.46 1.50 2r9yA1 LYS 165 HG3 0.02 -0.07 -0.09 -0.04 1.46 1.28 2r9yA1 LYS 165 HD2 0.03 -0.08 0.00 -0.04 1.69 1.60 2r9yA1 LYS 165 HD3 0.05 0.15 -0.02 -0.04 1.68 1.83 2r9yA1 LYS 165 HE2 0.05 0.06 0.02 -0.04 2.99 3.09 2r9yA1 LYS 165 HE3 0.03 -0.06 0.01 -0.04 2.99 2.94 2r9yA1 LEU 166 H 0.09 1.02 0.25 -0.55 8.37 9.18 2r9yA1 LEU 166 HA 0.10 -0.00 0.41 -0.75 4.35 4.11 2r9yA1 LEU 166 HB2 0.07 -0.05 0.02 -0.04 1.64 1.65 2r9yA1 LEU 166 HB3 0.05 -0.20 -0.03 -0.04 1.64 1.43 2r9yA1 LEU 166 HG 0.14 0.14 -0.22 -0.04 1.64 1.65 2r9yA1 LEU 166 HD13 0.04 -0.01 -0.28 -0.04 0.93 0.64 2r9yA1 LEU 166 HD23 0.06 -0.01 -0.12 -0.04 0.89 0.77 2r9yA1 THR 167 H 0.05 0.07 0.16 -0.55 8.28 8.01 2r9yA1 THR 167 HA 0.04 0.20 0.40 -0.75 4.39 4.28 2r9yA1 THR 167 HB 0.03 0.06 0.04 -0.04 4.32 4.41 2r9yA1 THR 167 HG23 0.04 0.03 0.04 -0.04 1.22 1.28 2r9yA1 GLY 168 H 0.03 -0.05 -0.14 -0.55 8.43 7.73 2r9yA1 GLY 168 HA2 0.03 0.01 0.21 -0.51 4.01 3.75 2r9yA1 GLY 168 HA3 0.03 0.24 0.71 -0.51 4.01 4.48 2r9yA1 LYS 169 H 0.02 0.02 -0.03 -0.55 8.42 7.87 2r9yA1 LYS 169 HA 0.01 0.22 0.71 -0.75 4.32 4.50 2r9yA1 GLN 170 H 0.01 0.28 0.05 -0.55 8.47 8.27 2r9yA1 GLN 170 HA -0.00 0.07 0.22 -0.75 4.36 3.89 2r9yA1 GLN 170 HB2 -0.00 -0.03 0.08 -0.04 2.15 2.16 2r9yA1 GLN 170 HB3 -0.01 0.06 0.03 -0.04 2.02 2.07 2r9yA1 GLU 171 H 0.00 0.06 -0.30 -0.55 8.60 7.81 2r9yA1 GLU 171 HA 0.00 0.13 0.42 -0.75 4.29 4.08 2r9yA1 GLU 172 H 0.01 0.11 -0.04 -0.55 8.60 8.13 2r9yA1 GLU 172 HA 0.02 0.11 0.38 -0.75 4.29 4.04 2r9yA1 ASP 173 H 0.01 0.48 -0.09 -0.55 8.40 8.25 2r9yA1 ASP 173 HA 0.01 0.07 0.41 -0.75 4.63 4.37 2r9yA1 ASP 173 HB2 -0.01 0.10 -0.03 -0.04 2.71 2.73 2r9yA1 ASP 173 HB3 -0.03 0.06 -0.08 -0.04 2.70 2.60 2r9yA1 LEU 174 H -0.01 0.38 -0.25 -0.55 8.37 7.95 2r9yA1 LEU 174 HA -0.03 0.02 0.35 -0.75 4.35 3.93 2r9yA1 LEU 174 HB2 -0.01 0.19 0.16 -0.04 1.64 1.94 2r9yA1 LEU 174 HB3 -0.01 0.02 -0.07 -0.04 1.64 1.54 2r9yA1 LEU 174 HG -0.03 -0.03 -0.05 -0.04 1.64 1.50 2r9yA1 LEU 174 HD13 -0.02 -0.01 -0.09 -0.04 0.93 0.78 2r9yA1 LEU 174 HD23 -0.03 0.01 -0.29 -0.04 0.89 0.53 2r9yA1 ALA 175 H 0.01 0.34 -0.21 -0.55 8.40 7.99 2r9yA1 ALA 175 HA 0.03 0.04 0.46 -0.75 4.34 4.11 2r9yA1 ALA 175 HB3 0.02 0.04 0.08 -0.04 1.41 1.51 2r9yA1 ASN 176 H 0.03 0.40 -0.14 -0.55 8.53 8.28 2r9yA1 ASN 176 HA 0.09 0.04 0.44 -0.75 4.76 4.58 2r9yA1 ASN 176 HB2 0.05 0.06 0.15 -0.04 2.88 3.10 2r9yA1 ASN 176 HB3 0.11 -0.00 -0.01 -0.04 2.79 2.84 2r9yA1 ASN 176 HD21 0.04 -0.05 -0.04 -0.04 7.03 6.95 2r9yA1 ASN 176 HD22 0.05 -0.09 -0.05 -0.04 7.74 7.61 2r9yA1 ILE 177 H -0.01 0.51 -0.17 -0.55 8.25 8.03 2r9yA1 ILE 177 HA 0.07 0.05 0.40 -0.75 4.18 3.94 2r9yA1 ILE 177 HB -0.07 0.13 0.15 -0.04 1.89 2.06 2r9yA1 ILE 177 HG12 -1.27 -0.02 -0.05 -0.04 1.49 0.11 2r9yA1 ILE 177 HG13 -0.49 -0.00 -0.00 -0.04 1.21 0.67 2r9yA1 ILE 177 HG23 0.05 -0.02 -0.18 -0.04 0.93 0.74 2r9yA1 ILE 177 HD13 -0.33 -0.01 -0.15 -0.04 0.88 0.35 2r9yA1 ASN 178 H 0.07 0.54 -0.06 -0.55 8.53 8.53 2r9yA1 ASN 178 HA 0.15 -0.06 0.33 -0.75 4.76 4.42 2r9yA1 ASN 178 HB2 0.06 0.13 0.17 -0.04 2.88 3.21 2r9yA1 ASN 178 HB3 0.08 -0.16 0.09 -0.04 2.79 2.75 2r9yA1 ASN 178 HD21 0.02 0.34 0.08 -0.04 7.03 7.43 2r9yA1 ASN 178 HD22 0.03 -0.08 -0.07 -0.04 7.74 7.58 2r9yA1 GLN 179 H 0.09 0.61 -0.16 -0.55 8.47 8.47 2r9yA1 GLN 179 HA 0.05 0.00 0.48 -0.75 4.36 4.14 2r9yA1 TRP 180 H 0.31 0.52 -0.15 -0.55 7.97 8.10 2r9yA1 TRP 180 HA 0.03 0.02 0.38 -0.75 4.62 4.30 2r9yA1 TRP 180 HB2 0.09 0.02 0.11 -0.04 3.23 3.40 2r9yA1 TRP 180 HB3 0.11 0.07 0.12 -0.04 3.23 3.49 2r9yA1 TRP 180 HD1 0.03 -0.02 0.01 -0.04 7.22 7.20 2r9yA1 TRP 180 HE1 0.01 0.04 -0.01 -0.04 10.20 10.20 2r9yA1 TRP 180 HE3 0.05 0.02 -0.29 -0.04 7.59 7.32 2r9yA1 TRP 180 HZ2 0.01 0.10 -0.04 -0.04 7.44 7.47 2r9yA1 TRP 180 HZ3 -0.03 -0.07 -0.27 -0.04 7.13 6.71 2r9yA1 TRP 180 HH2 -0.01 0.05 -0.12 -0.04 7.19 7.07 2r9yA1 VAL 181 H 0.24 0.55 -0.10 -0.55 8.24 8.38 2r9yA1 VAL 181 HA -0.26 0.03 0.49 -0.75 4.13 3.63 2r9yA1 VAL 181 HB 0.03 0.01 0.02 -0.04 2.12 2.14 2r9yA1 VAL 181 HG13 -0.27 0.01 -0.14 -0.04 0.97 0.53 2r9yA1 VAL 181 HG23 0.10 0.04 -0.09 -0.04 0.95 0.95 2r9yA1 LYS 182 H -0.01 0.58 -0.12 -0.55 8.42 8.33 2r9yA1 LYS 182 HA -0.06 0.20 0.47 -0.75 4.32 4.17 2r9yA1 LYS 182 HB2 0.00 -0.02 0.16 -0.04 1.87 1.97 2r9yA1 LYS 182 HB3 -0.02 0.14 0.20 -0.04 1.79 2.07 2r9yA1 LYS 182 HG2 -0.04 -0.05 -0.15 -0.04 1.46 1.18 2r9yA1 LYS 182 HG3 -0.03 0.06 -0.07 -0.04 1.46 1.38 2r9yA1 GLU 183 H -0.16 0.50 -0.17 -0.55 8.60 8.23 2r9yA1 GLU 183 HA -0.13 0.00 0.45 -0.75 4.29 3.86 2r9yA1 GLU 183 HB2 -0.27 0.11 0.18 -0.04 2.09 2.07 2r9yA1 GLU 183 HB3 -0.19 -0.01 0.01 -0.04 1.99 1.75 2r9yA1 GLU 183 HG2 -0.05 -0.04 0.02 -0.04 2.34 2.22 2r9yA1 GLU 183 HG3 -0.04 0.08 0.03 -0.04 2.34 2.37 2r9yA1 ALA 184 H -0.56 0.45 -0.11 -0.55 8.40 7.63 2r9yA1 ALA 184 HA -0.36 0.11 0.47 -0.75 4.34 3.81 2r9yA1 ALA 184 HB3 -1.01 0.01 0.10 -0.04 1.41 0.47 2r9yA1 THR 185 H -0.23 0.32 -0.37 -0.55 8.28 7.45 2r9yA1 THR 185 HA -0.08 0.14 0.70 -0.75 4.39 4.39 2r9yA1 THR 185 HB -0.08 -0.08 0.02 -0.04 4.32 4.14 2r9yA1 THR 185 HG23 -0.08 -0.01 -0.28 -0.04 1.22 0.81 2r9yA1 GLU 186 H -0.15 0.23 -0.57 -0.55 8.60 7.56 2r9yA1 GLU 186 HA -0.09 0.10 0.33 -0.75 4.29 3.87 2r9yA1 GLU 186 HB2 -0.07 0.07 -0.20 -0.04 2.09 1.85 2r9yA1 GLU 186 HB3 -0.06 -0.04 0.18 -0.04 1.99 2.02 2r9yA1 GLU 186 HG2 -0.07 -0.02 0.05 -0.04 2.34 2.26 2r9yA1 GLU 186 HG3 -0.09 0.12 -0.06 -0.04 2.34 2.27 2r9yA1 GLY 187 H -0.10 0.72 -0.00 -0.55 8.43 8.51 2r9yA1 GLY 187 HA2 -0.06 -0.04 0.26 -0.51 4.01 3.66 2r9yA1 GLY 187 HA3 -0.07 0.13 0.54 -0.51 4.01 4.10 2r9yA1 LYS 188 H -0.15 0.38 -0.71 -0.55 8.42 7.39 2r9yA1 LYS 188 HA -0.20 0.02 0.07 -0.75 4.32 3.46 2r9yA1 ILE 189 H -0.08 0.10 -0.32 -0.55 8.25 7.40 2r9yA1 ILE 189 HA 0.03 0.18 0.90 -0.75 4.18 4.53 2r9yA1 ILE 189 HB -0.02 0.00 -0.10 -0.04 1.89 1.74 2r9yA1 ILE 189 HG12 0.11 0.04 -0.16 -0.04 1.49 1.44 2r9yA1 ILE 189 HG13 0.07 0.01 -0.49 -0.04 1.21 0.76 2r9yA1 ILE 189 HG23 0.08 -0.02 -0.32 -0.04 0.93 0.63 2r9yA1 ILE 189 HD13 0.11 0.01 -0.31 -0.04 0.88 0.64 2r9yA1 GLU 190 H 0.04 0.27 0.06 -0.55 8.60 8.41 2r9yA1 GLU 190 HA 0.03 0.11 0.75 -0.75 4.29 4.42 2r9yA1 GLU 190 HB2 0.02 0.02 -0.03 -0.04 2.09 2.06 2r9yA1 GLU 190 HB3 0.01 -0.06 -0.03 -0.04 1.99 1.87 2r9yA1 GLU 190 HG2 -0.01 -0.02 -0.18 -0.04 2.34 2.09 2r9yA1 GLU 190 HG3 -0.01 0.13 -0.33 -0.04 2.34 2.09 2r9yA1 ASP 191 H 0.06 0.12 0.06 -0.55 8.40 8.08 2r9yA1 ASP 191 HA 0.06 -0.02 0.25 -0.75 4.63 4.16 2r9yA1 ASP 191 HB2 0.02 0.18 -0.13 -0.04 2.71 2.74 2r9yA1 ASP 191 HB3 0.01 -0.02 0.01 -0.04 2.70 2.67 2r9yA1 PHE 192 H 0.21 0.02 -0.15 -0.55 8.34 7.87 2r9yA1 PHE 192 HA 0.01 0.13 0.13 -0.75 4.62 4.14 2r9yA1 PHE 192 HB2 0.03 0.05 -0.12 -0.04 3.15 3.08 2r9yA1 PHE 192 HB3 0.03 -0.10 -0.01 -0.04 3.06 2.93 2r9yA1 PHE 192 HD2 0.02 -0.00 -0.15 -0.04 7.28 7.10 2r9yA1 PHE 192 HE2 0.01 -0.02 -0.12 -0.04 7.38 7.21 2r9yA1 PHE 192 HZ 0.04 0.14 -0.28 -0.04 7.32 7.18 2r9yA1 LEU 193 H 0.06 0.08 -0.04 -0.55 8.37 7.92 2r9yA1 LEU 193 HA -0.22 0.22 0.80 -0.75 4.35 4.39 2r9yA1 SER 194 H -0.04 0.13 -0.11 -0.55 8.46 7.89 2r9yA1 SER 194 HA -0.07 0.12 0.28 -0.75 4.49 4.07 2r9yA1 GLU 195 H -0.07 0.24 0.03 -0.55 8.60 8.26 2r9yA1 GLU 195 HA -0.03 0.03 0.19 -0.75 4.29 3.72 2r9yA1 GLU 195 HB2 -0.03 -0.08 0.11 -0.04 2.09 2.05 2r9yA1 GLU 195 HB3 -0.04 0.35 0.45 -0.04 1.99 2.71 2r9yA1 GLU 195 HG2 -0.05 -0.03 -0.37 -0.04 2.34 1.85 2r9yA1 GLU 195 HG3 -0.04 -0.02 -0.35 -0.04 2.34 1.89 2r9yA1 LEU 196 H -0.02 0.21 0.04 -0.55 8.37 8.05 2r9yA1 LEU 196 HA -0.03 0.15 0.61 -0.75 4.35 4.32 2r9yA1 LEU 196 HB2 -0.04 0.07 -0.24 -0.04 1.64 1.39 2r9yA1 LEU 196 HB3 -0.02 -0.07 -0.01 -0.04 1.64 1.50 2r9yA1 LEU 196 HG -0.02 0.21 -0.21 -0.04 1.64 1.58 2r9yA1 LEU 196 HD13 -0.03 -0.00 -0.04 -0.04 0.93 0.81 2r9yA1 LEU 196 HD23 -0.04 -0.04 -0.15 -0.04 0.89 0.62 2r9yA1 PRO 197 HA -0.00 0.12 0.59 -0.51 4.44 4.64 2r9yA1 PRO 197 HB2 0.00 0.06 -0.01 -0.04 2.28 2.29 2r9yA1 PRO 197 HB3 -0.01 0.04 0.08 -0.04 2.02 2.09 2r9yA1 PRO 197 HG2 -0.01 0.13 -0.00 -0.04 2.03 2.11 2r9yA1 PRO 197 HG3 -0.01 0.04 -0.02 -0.04 2.03 2.00 2r9yA1 PRO 197 HD2 -0.01 0.10 0.05 -0.04 3.68 3.77 2r9yA1 PRO 197 HD3 -0.02 0.13 0.06 -0.04 3.65 3.78 2r9yA1 ASP 198 H 0.01 0.13 -0.02 -0.55 8.40 7.97 2r9yA1 ASP 198 HA 0.02 0.01 0.18 -0.75 4.63 4.08 2r9yA1 SER 199 H 0.03 0.17 0.09 -0.55 8.46 8.20 2r9yA1 SER 199 HA 0.02 0.14 0.22 -0.75 4.49 4.12 2r9yA1 SER 199 HB2 0.01 0.10 -0.03 -0.04 3.95 3.99 2r9yA1 SER 199 HB3 0.01 -0.23 0.08 -0.04 3.93 3.74 2r9yA1 THR 200 H 0.03 0.22 -0.01 -0.55 8.28 7.98 2r9yA1 THR 200 HA 0.01 0.16 0.74 -0.75 4.39 4.55 2r9yA1 THR 200 HB 0.02 -0.04 -0.04 -0.04 4.32 4.21 2r9yA1 THR 200 HG23 0.01 0.01 -0.29 -0.04 1.22 0.90 2r9yA1 VAL 201 H -0.02 0.14 0.03 -0.55 8.24 7.83 2r9yA1 VAL 201 HA -0.11 0.14 0.95 -0.75 4.13 4.36 2r9yA1 VAL 201 HB -0.11 0.10 0.23 -0.04 2.12 2.31 2r9yA1 VAL 201 HG13 -0.50 0.01 0.00 -0.04 0.97 0.44 2r9yA1 VAL 201 HG23 0.01 0.01 -0.16 -0.04 0.95 0.78 2r9yA1 LEU 202 H -0.09 0.31 0.34 -0.55 8.37 8.38 2r9yA1 LEU 202 HA -0.08 0.36 1.10 -0.75 4.35 4.99 2r9yA1 LEU 202 HB2 -0.17 -0.04 -0.01 -0.04 1.64 1.38 2r9yA1 LEU 202 HB3 -0.07 -0.06 0.16 -0.04 1.64 1.63 2r9yA1 LEU 202 HG -0.06 0.11 -0.03 -0.04 1.64 1.61 2r9yA1 LEU 202 HD13 -0.10 -0.01 -0.13 -0.04 0.93 0.65 2r9yA1 LEU 202 HD23 -0.02 -0.01 -0.32 -0.04 0.89 0.49 2r9yA1 LEU 203 H 0.03 0.86 0.32 -0.55 8.37 9.03 2r9yA1 LEU 203 HA 0.04 0.11 1.02 -0.75 4.35 4.76 2r9yA1 LEU 203 HB2 0.03 -0.04 -0.03 -0.04 1.64 1.56 2r9yA1 LEU 203 HB3 0.08 0.03 0.14 -0.04 1.64 1.85 2r9yA1 LEU 203 HG 0.08 0.01 -0.35 -0.04 1.64 1.35 2r9yA1 LEU 203 HD13 0.04 0.02 -0.07 -0.04 0.93 0.88 2r9yA1 LEU 203 HD23 -0.07 -0.01 -0.09 -0.04 0.89 0.68 2r9yA1 LEU 204 H 0.06 0.58 0.31 -0.55 8.37 8.78 2r9yA1 LEU 204 HA 0.00 0.25 1.07 -0.75 4.35 4.91 2r9yA1 LEU 204 HB2 0.01 -0.05 0.01 -0.04 1.64 1.57 2r9yA1 LEU 204 HB3 0.06 -0.06 0.25 -0.04 1.64 1.85 2r9yA1 LEU 204 HG -0.01 0.07 -0.22 -0.04 1.64 1.44 2r9yA1 LEU 204 HD13 -0.12 0.04 -0.08 -0.04 0.93 0.73 2r9yA1 LEU 204 HD23 0.02 -0.04 -0.20 -0.04 0.89 0.64 2r9yA1 LEU 205 H 0.05 0.68 0.33 -0.55 8.37 8.88 2r9yA1 LEU 205 HA 0.22 0.15 0.94 -0.75 4.35 4.91 2r9yA1 LEU 205 HB2 0.14 -0.00 0.07 -0.04 1.64 1.81 2r9yA1 LEU 205 HB3 0.12 0.01 -0.05 -0.04 1.64 1.68 2r9yA1 LEU 205 HG 0.15 -0.04 -0.21 -0.04 1.64 1.50 2r9yA1 LEU 205 HD13 0.03 -0.01 -0.11 -0.04 0.93 0.80 2r9yA1 LEU 205 HD23 0.36 -0.00 -0.12 -0.04 0.89 1.10 2r9yA1 ASN 206 H 0.23 0.44 0.26 -0.55 8.53 8.90 2r9yA1 ASN 206 HA 0.03 0.46 1.02 -0.75 4.76 5.52 2r9yA1 ASN 206 HB2 0.09 -0.01 -0.27 -0.04 2.88 2.64 2r9yA1 ASN 206 HB3 0.24 -0.05 0.11 -0.04 2.79 3.06 2r9yA1 ASN 206 HD21 0.03 -0.07 -0.11 -0.04 7.03 6.84 2r9yA1 ASN 206 HD22 0.03 0.15 0.10 -0.04 7.74 7.98 2r9yA1 ALA 207 H -0.09 0.62 0.37 -0.55 8.40 8.75 2r9yA1 ALA 207 HA -0.02 0.18 1.02 -0.75 4.34 4.76 2r9yA1 ALA 207 HB3 -0.37 -0.01 0.01 -0.04 1.41 1.00 2r9yA1 ILE 208 H 0.05 0.61 0.35 -0.55 8.25 8.72 2r9yA1 ILE 208 HA 0.12 0.31 1.08 -0.75 4.18 4.93 2r9yA1 ILE 208 HB 0.09 -0.04 -0.08 -0.04 1.89 1.82 2r9yA1 ILE 208 HG12 0.50 -0.01 -0.18 -0.04 1.49 1.75 2r9yA1 ILE 208 HG13 0.22 0.20 0.05 -0.04 1.21 1.64 2r9yA1 ILE 208 HG23 0.12 -0.00 0.10 -0.04 0.93 1.11 2r9yA1 ILE 208 HD13 0.03 -0.03 -0.05 -0.04 0.88 0.80 2r9yA1 HIS 209 H 0.24 0.85 0.42 -0.55 8.41 9.36 2r9yA1 HIS 209 HA 0.12 0.26 1.21 -0.75 4.63 5.46 2r9yA1 HIS 209 HB2 0.03 -0.06 -0.10 -0.04 3.26 3.09 2r9yA1 HIS 209 HB3 0.02 -0.02 0.14 -0.04 3.20 3.31 2r9yA1 HIS 209 HD2 -0.02 -0.02 -0.09 -0.04 6.97 6.79 2r9yA1 HIS 209 HE1 -0.06 -0.01 -0.18 -0.04 7.75 7.46 2r9yA1 PHE 210 H -0.43 0.72 0.40 -0.55 8.34 8.47 2r9yA1 PHE 210 HA -0.14 0.38 1.21 -0.75 4.62 5.32 2r9yA1 PHE 210 HB2 -0.51 -0.04 -0.08 -0.04 3.15 2.48 2r9yA1 PHE 210 HB3 -0.84 -0.06 0.17 -0.04 3.06 2.29 2r9yA1 PHE 210 HD2 -0.20 -0.01 -0.19 -0.04 7.28 6.85 2r9yA1 PHE 210 HE2 -0.42 -0.00 -0.11 -0.04 7.38 6.81 2r9yA1 PHE 210 HZ -1.16 -0.06 -0.13 -0.04 7.32 5.93 2r9yA1 HIS 211 H -0.59 0.67 0.23 -0.55 8.41 8.17 2r9yA1 HIS 211 HA -0.52 0.14 0.58 -0.75 4.63 4.08 2r9yA1 HIS 211 HB2 -0.19 -0.01 0.00 -0.04 3.26 3.03 2r9yA1 HIS 211 HB3 -0.21 0.03 0.13 -0.04 3.20 3.10 2r9yA1 HIS 211 HD2 -0.43 -0.00 0.12 -0.04 6.97 6.62 2r9yA1 HIS 211 HE1 -0.18 -0.06 -0.03 -0.04 7.75 7.43 2r9yA1 GLY 212 H -0.58 0.17 0.15 -0.55 8.43 7.62 2r9yA1 GLY 212 HA2 -0.66 0.21 0.77 -0.51 4.01 3.81 2r9yA1 GLY 212 HA3 -1.20 -0.04 0.26 -0.51 4.01 2.53 2r9yA1 PHE 213 H 0.01 0.08 0.16 -0.55 8.34 8.04 2r9yA1 PHE 213 HA -0.20 0.38 0.87 -0.75 4.62 4.92 2r9yA1 PHE 213 HB2 -0.06 -0.11 0.15 -0.04 3.15 3.09 2r9yA1 PHE 213 HB3 -0.01 0.02 -0.07 -0.04 3.06 2.96 2r9yA1 PHE 213 HD2 -0.15 -0.06 -0.12 -0.04 7.28 6.91 2r9yA1 PHE 213 HE2 -0.16 0.10 -0.02 -0.04 7.38 7.26 2r9yA1 PHE 213 HZ -0.16 -0.01 -0.03 -0.04 7.32 7.08 2r9yA1 TRP 214 H -0.02 0.64 0.30 -0.55 7.97 8.34 2r9yA1 TRP 214 HA 0.26 0.11 0.48 -0.75 4.62 4.71 2r9yA1 TRP 214 HB2 0.18 -0.11 -0.29 -0.04 3.23 2.97 2r9yA1 TRP 214 HB3 0.19 0.08 -0.06 -0.04 3.23 3.39 2r9yA1 TRP 214 HD1 0.26 0.06 -0.21 -0.04 7.22 7.29 2r9yA1 TRP 214 HE1 0.11 0.36 0.11 -0.04 10.20 10.74 2r9yA1 TRP 214 HE3 -0.07 0.20 -0.22 -0.04 7.59 7.45 2r9yA1 TRP 214 HZ2 -0.27 -0.02 -0.04 -0.04 7.44 7.07 2r9yA1 TRP 214 HZ3 -0.47 0.15 -0.06 -0.04 7.13 6.71 2r9yA1 TRP 214 HH2 -0.46 -0.04 -0.04 -0.04 7.19 6.62 2r9yA1 ARG 215 H 0.43 0.76 0.24 -0.55 8.46 9.34 2r9yA1 ARG 215 HA 0.18 0.00 0.57 -0.75 4.34 4.34 2r9yA1 ARG 215 HB2 0.19 0.09 -0.09 -0.04 1.90 2.05 2r9yA1 ARG 215 HB3 0.16 0.05 0.11 -0.04 1.80 2.08 2r9yA1 ARG 215 HG2 0.04 -0.04 -0.14 -0.04 1.67 1.48 2r9yA1 ARG 215 HG3 0.08 -0.02 0.06 -0.04 1.67 1.75 2r9yA1 ARG 215 HD2 0.02 0.03 -0.01 -0.04 3.22 3.22 2r9yA1 ARG 215 HD3 0.02 -0.04 -0.01 -0.04 3.22 3.15 2r9yA1 THR 216 H 0.18 0.21 -0.06 -0.55 8.28 8.06 2r9yA1 THR 216 HA -0.01 0.18 0.84 -0.75 4.39 4.63 2r9yA1 THR 216 HB -0.63 -0.01 0.13 -0.04 4.32 3.77 2r9yA1 THR 216 HG23 -0.39 0.06 -0.11 -0.04 1.22 0.74 2r9yA1 LYS 217 H 0.07 0.50 0.00 -0.55 8.42 8.43 2r9yA1 LYS 217 HA 0.38 0.07 0.24 -0.75 4.32 4.25 2r9yA1 LYS 217 HB2 0.23 0.17 0.10 -0.04 1.87 2.33 2r9yA1 LYS 217 HB3 0.19 -0.17 -0.15 -0.04 1.79 1.62 2r9yA1 LYS 217 HG2 0.06 0.18 -0.10 -0.04 1.46 1.55 2r9yA1 LYS 217 HG3 0.07 -0.07 -0.41 -0.04 1.46 1.01 2r9yA1 PHE 218 H 0.42 0.43 0.26 -0.55 8.34 8.90 2r9yA1 PHE 218 HA 0.01 0.15 0.83 -0.75 4.62 4.85 2r9yA1 PHE 218 HB2 0.04 -0.07 0.12 -0.04 3.15 3.20 2r9yA1 PHE 218 HB3 -0.04 -0.05 -0.08 -0.04 3.06 2.85 2r9yA1 PHE 218 HD2 -0.27 0.04 -0.21 -0.04 7.28 6.80 2r9yA1 PHE 218 HE2 -1.05 -0.01 -0.20 -0.04 7.38 6.08 2r9yA1 PHE 218 HZ -0.96 -0.00 -0.17 -0.04 7.32 6.14 2r9yA1 ASP 219 H 0.09 0.24 0.14 -0.55 8.40 8.33 2r9yA1 ASP 219 HA 0.07 0.16 0.63 -0.75 4.63 4.74 2r9yA1 ASP 219 HB2 0.02 0.07 0.13 -0.04 2.71 2.90 2r9yA1 ASP 219 HB3 0.04 0.04 0.25 -0.04 2.70 2.98 2r9yA1 PRO 220 HA 0.06 0.04 0.28 -0.51 4.44 4.31 2r9yA1 PRO 220 HB2 0.04 0.05 0.02 -0.04 2.28 2.35 2r9yA1 PRO 220 HB3 0.06 -0.01 0.12 -0.04 2.02 2.15 2r9yA1 PRO 220 HG2 0.05 0.01 0.07 -0.04 2.03 2.12 2r9yA1 PRO 220 HG3 0.06 0.05 0.09 -0.04 2.03 2.19 2r9yA1 PRO 220 HD2 0.06 0.05 0.26 -0.04 3.68 4.02 2r9yA1 PRO 220 HD3 0.10 0.43 0.33 -0.04 3.65 4.47 2r9yA1 SER 221 H 0.04 0.07 -0.38 -0.55 8.46 7.65 2r9yA1 SER 221 HA 0.03 0.12 0.54 -0.75 4.49 4.43 2r9yA1 SER 221 HB2 0.03 -0.02 -0.02 -0.04 3.95 3.91 2r9yA1 SER 221 HB3 0.03 0.03 0.07 -0.04 3.93 4.02 2r9yA1 LEU 222 H 0.05 0.52 -0.21 -0.55 8.37 8.19 2r9yA1 LEU 222 HA 0.07 0.15 0.75 -0.75 4.35 4.57 2r9yA1 LEU 222 HB2 0.08 0.15 0.15 -0.04 1.64 1.98 2r9yA1 LEU 222 HB3 0.15 -0.04 0.09 -0.04 1.64 1.80 2r9yA1 LEU 222 HG 0.04 -0.09 -0.00 -0.04 1.64 1.55 2r9yA1 LEU 222 HD13 0.00 0.00 0.02 -0.04 0.93 0.91 2r9yA1 LEU 222 HD23 0.06 0.01 -0.14 -0.04 0.89 0.78 2r9yA1 THR 223 H 0.04 0.12 -0.20 -0.55 8.28 7.70 2r9yA1 THR 223 HA 0.03 0.33 0.54 -0.75 4.39 4.54 2r9yA1 THR 223 HB 0.01 0.07 0.05 -0.04 4.32 4.40 2r9yA1 THR 223 HG23 -0.02 -0.02 -0.43 -0.04 1.22 0.70 2r9yA1 GLN 224 H 0.03 0.46 0.26 -0.55 8.47 8.67 2r9yA1 GLN 224 HA -0.00 0.10 0.76 -0.75 4.36 4.47 2r9yA1 GLN 224 HB2 0.04 0.00 -0.02 -0.04 2.15 2.13 2r9yA1 GLN 224 HB3 -0.01 0.06 0.00 -0.04 2.02 2.03 2r9yA1 GLN 224 HG2 0.01 -0.04 -0.05 -0.04 2.40 2.29 2r9yA1 GLN 224 HG3 0.04 0.17 -0.52 -0.04 2.39 2.03 2r9yA1 GLN 224 HE21 0.03 -0.06 -0.02 -0.04 6.97 6.88 2r9yA1 GLN 224 HE22 0.02 -0.00 -0.03 -0.04 7.69 7.64 2r9yA1 LYS 225 H -0.04 0.10 0.12 -0.55 8.42 8.05 2r9yA1 LYS 225 HA -0.06 0.19 0.63 -0.75 4.32 4.33 2r9yA1 LYS 225 HB2 -0.09 -0.02 0.12 -0.04 1.87 1.83 2r9yA1 LYS 225 HB3 -0.11 0.00 -0.04 -0.04 1.79 1.60 2r9yA1 LYS 225 HG2 -0.04 -0.03 0.00 -0.04 1.46 1.35 2r9yA1 LYS 225 HG3 -0.05 -0.00 -0.01 -0.04 1.46 1.36 2r9yA1 LYS 225 HD2 -0.05 0.00 -0.15 -0.04 1.69 1.45 2r9yA1 LYS 225 HD3 -0.04 0.01 -0.29 -0.04 1.68 1.32 2r9yA1 LYS 225 HE2 -0.03 -0.01 -0.09 -0.04 2.99 2.82 2r9yA1 LYS 225 HE3 -0.03 -0.00 -0.05 -0.04 2.99 2.86 2r9yA1 ASP 226 H -0.09 0.64 0.43 -0.55 8.40 8.83 2r9yA1 ASP 226 HA -0.31 0.10 0.69 -0.75 4.63 4.36 2r9yA1 ASP 226 HB2 -0.04 0.06 -0.29 -0.04 2.71 2.40 2r9yA1 ASP 226 HB3 -0.03 0.05 -0.09 -0.04 2.70 2.59 2r9yA1 PHE 227 H -0.13 0.12 0.13 -0.55 8.34 7.91 2r9yA1 PHE 227 HA -0.05 0.15 0.54 -0.75 4.62 4.51 2r9yA1 PHE 227 HB2 -0.14 -0.01 0.11 -0.04 3.15 3.06 2r9yA1 PHE 227 HB3 -0.34 0.05 -0.09 -0.04 3.06 2.64 2r9yA1 PHE 227 HD2 -0.08 0.04 -0.07 -0.04 7.28 7.13 2r9yA1 PHE 227 HE2 -0.04 -0.00 -0.08 -0.04 7.38 7.21 2r9yA1 PHE 227 HZ -0.03 -0.01 -0.06 -0.04 7.32 7.17 2r9yA1 PHE 228 H 0.23 0.70 0.42 -0.55 8.34 9.14 2r9yA1 PHE 228 HA 0.08 0.20 0.81 -0.75 4.62 4.96 2r9yA1 PHE 228 HB2 0.05 0.00 -0.08 -0.04 3.15 3.08 2r9yA1 PHE 228 HB3 0.06 -0.09 0.03 -0.04 3.06 3.02 2r9yA1 PHE 228 HD2 0.11 -0.02 -0.29 -0.04 7.28 7.03 2r9yA1 PHE 228 HE2 0.24 0.14 -0.35 -0.04 7.38 7.36 2r9yA1 PHE 228 HZ 0.30 0.06 -0.54 -0.04 7.32 7.11 2r9yA1 HIS 229 H -0.23 0.86 0.19 -0.55 8.41 8.68 2r9yA1 HIS 229 HA 0.05 0.02 0.70 -0.75 4.63 4.64 2r9yA1 HIS 229 HB2 0.09 0.09 0.27 -0.04 3.26 3.67 2r9yA1 HIS 229 HB3 0.13 0.15 0.06 -0.04 3.20 3.50 2r9yA1 HIS 229 HD2 -0.07 0.15 0.02 -0.04 6.97 7.02 2r9yA1 HIS 229 HE1 -0.13 -0.06 -0.07 -0.04 7.75 7.44 2r9yA1 LEU 230 H 0.13 0.32 0.40 -0.55 8.37 8.67 2r9yA1 LEU 230 HA 0.25 0.18 0.52 -0.75 4.35 4.55 2r9yA1 LEU 230 HB2 0.10 -0.09 0.05 -0.04 1.64 1.65 2r9yA1 LEU 230 HB3 0.05 -0.02 0.03 -0.04 1.64 1.65 2r9yA1 LEU 230 HG 0.17 -0.04 -0.12 -0.04 1.64 1.61 2r9yA1 LEU 230 HD13 0.03 -0.01 -0.09 -0.04 0.93 0.81 2r9yA1 LEU 230 HD23 0.18 0.01 -0.01 -0.04 0.89 1.03 2r9yA1 ASP 231 H -0.09 0.28 0.09 -0.55 8.40 8.14 2r9yA1 ASP 231 HA -1.67 0.21 0.30 -0.75 4.63 2.72 2r9yA1 ASP 231 HB2 -0.42 -0.16 0.26 -0.04 2.71 2.35 2r9yA1 ASP 231 HB3 -0.25 0.25 0.12 -0.04 2.70 2.78 2r9yA1 GLU 232 H -0.48 0.13 0.16 -0.55 8.60 7.87 2r9yA1 GLU 232 HA -0.12 0.16 0.45 -0.75 4.29 4.02 2r9yA1 GLU 232 HB2 -0.08 -0.04 0.13 -0.04 2.09 2.06 2r9yA1 GLU 232 HB3 -0.03 0.05 0.06 -0.04 1.99 2.03 2r9yA1 GLU 232 HG2 0.09 0.03 0.06 -0.04 2.34 2.48 2r9yA1 GLU 232 HG3 0.20 0.04 0.06 -0.04 2.34 2.60 2r9yA1 ARG 233 H -0.10 -0.05 -0.15 -0.55 8.46 7.61 2r9yA1 ARG 233 HA -0.19 0.26 0.73 -0.75 4.34 4.38 2r9yA1 ARG 233 HB2 -0.24 -0.03 0.03 -0.04 1.90 1.62 2r9yA1 ARG 233 HB3 -0.52 0.04 0.07 -0.04 1.80 1.34 2r9yA1 ARG 233 HG2 -0.08 -0.11 -0.07 -0.04 1.67 1.36 2r9yA1 ARG 233 HG3 -0.09 0.01 -0.01 -0.04 1.67 1.53 2r9yA1 ARG 233 HD2 -0.13 0.11 -0.12 -0.04 3.22 3.04 2r9yA1 ARG 233 HD3 -0.08 -0.02 -0.06 -0.04 3.22 3.02 2r9yA1 PHE 234 H 0.03 -0.01 -0.06 -0.55 8.34 7.75 2r9yA1 PHE 234 HA -0.06 0.39 1.15 -0.75 4.62 5.34 2r9yA1 PHE 234 HB2 -0.07 -0.09 0.06 -0.04 3.15 3.01 2r9yA1 PHE 234 HB3 -0.03 0.09 -0.02 -0.04 3.06 3.06 2r9yA1 PHE 234 HD2 -0.05 -0.04 -0.22 -0.04 7.28 6.93 2r9yA1 PHE 234 HE2 -0.04 -0.00 -0.09 -0.04 7.38 7.21 2r9yA1 PHE 234 HZ -0.03 -0.00 -0.05 -0.04 7.32 7.19 2r9yA1 THR 235 H 0.06 0.66 0.43 -0.55 8.28 8.87 2r9yA1 THR 235 HA 0.04 0.21 1.24 -0.75 4.39 5.13 2r9yA1 THR 235 HB 0.05 0.04 0.07 -0.04 4.32 4.44 2r9yA1 THR 235 HG23 -0.48 -0.00 -0.22 -0.04 1.22 0.47 2r9yA1 VAL 236 H 0.18 0.72 0.42 -0.55 8.24 9.02 2r9yA1 VAL 236 HA 0.10 0.14 0.68 -0.75 4.13 4.30 2r9yA1 VAL 236 HB 0.12 -0.02 -0.10 -0.04 2.12 2.07 2r9yA1 VAL 236 HG13 0.08 0.01 -0.21 -0.04 0.97 0.81 2r9yA1 VAL 236 HG23 0.03 0.01 -0.07 -0.04 0.95 0.88 2r9yA1 SER 237 H 0.04 0.15 0.10 -0.55 8.46 8.21 2r9yA1 SER 237 HA -0.01 0.29 0.90 -0.75 4.49 4.92 2r9yA1 SER 237 HB2 -0.09 -0.00 -0.02 -0.04 3.95 3.80 2r9yA1 SER 237 HB3 -0.03 -0.02 -0.00 -0.04 3.93 3.84 2r9yA1 VAL 238 H -0.01 0.76 0.36 -0.55 8.24 8.80 2r9yA1 VAL 238 HA -0.03 0.16 0.84 -0.75 4.13 4.35 2r9yA1 VAL 238 HB -0.04 0.07 -0.01 -0.04 2.12 2.09 2r9yA1 VAL 238 HG13 -0.10 -0.01 -0.37 -0.04 0.97 0.45 2r9yA1 VAL 238 HG23 0.11 0.02 -0.25 -0.04 0.95 0.78 2r9yA1 ASP 239 H -0.04 0.18 0.10 -0.55 8.40 8.09 2r9yA1 ASP 239 HA -0.03 0.13 0.53 -0.75 4.63 4.51 2r9yA1 ASP 239 HB2 -0.04 -0.01 0.20 -0.04 2.71 2.81 2r9yA1 ASP 239 HB3 -0.03 0.02 -0.04 -0.04 2.70 2.60 2r9yA1 MET 240 H 0.00 0.90 0.30 -0.55 8.47 9.13 2r9yA1 MET 240 HA -0.00 0.07 0.62 -0.75 4.52 4.46 2r9yA1 MET 240 HB2 0.06 0.00 -0.05 -0.04 2.15 2.11 2r9yA1 MET 240 HB3 0.14 -0.01 0.10 -0.04 2.03 2.21 2r9yA1 MET 240 HG2 0.24 -0.04 -0.14 -0.04 2.63 2.65 2r9yA1 MET 240 HG3 0.29 0.13 -0.20 -0.04 2.56 2.74 2r9yA1 MET 240 HE3 0.10 -0.00 -0.20 -0.04 2.10 1.96 2r9yA1 MET 241 H -0.16 0.48 0.16 -0.55 8.47 8.40 2r9yA1 MET 241 HA -0.10 -0.02 0.51 -0.75 4.52 4.15 2r9yA1 MET 241 HB2 -0.84 0.12 0.03 -0.04 2.15 1.42 2r9yA1 MET 241 HB3 -0.76 -0.07 -0.04 -0.04 2.03 1.11 2r9yA1 MET 241 HG2 -0.17 -0.09 -0.07 -0.04 2.63 2.25 2r9yA1 MET 241 HG3 -0.25 0.08 -0.04 -0.04 2.56 2.31 2r9yA1 MET 241 HE3 -0.45 0.04 -0.31 -0.04 2.10 1.34 2r9yA1 HIS 242 H 0.05 0.13 0.06 -0.55 8.41 8.10 2r9yA1 HIS 242 HA -0.34 0.40 1.00 -0.75 4.63 4.94 2r9yA1 HIS 242 HB2 -0.21 0.09 -0.25 -0.04 3.26 2.85 2r9yA1 HIS 242 HB3 -0.11 -0.01 -0.05 -0.04 3.20 2.99 2r9yA1 HIS 242 HD2 -0.11 -0.04 -0.12 -0.04 6.97 6.65 2r9yA1 HIS 242 HE1 -1.63 -0.06 -0.09 -0.04 7.75 5.93 2r9yA1 ALA 243 H -0.58 0.60 0.30 -0.55 8.40 8.17 2r9yA1 ALA 243 HA -0.32 0.09 0.78 -0.75 4.34 4.13 2r9yA1 ALA 243 HB3 -0.18 0.01 0.05 -0.04 1.41 1.25 2r9yA1 VAL 244 H -0.29 0.15 0.13 -0.55 8.24 7.68 2r9yA1 VAL 244 HA -0.33 0.14 0.66 -0.75 4.13 3.84 2r9yA1 VAL 244 HB -0.04 0.03 0.09 -0.04 2.12 2.15 2r9yA1 VAL 244 HG13 -0.04 0.01 0.01 -0.04 0.97 0.90 2r9yA1 VAL 244 HG23 -0.07 0.01 -0.02 -0.04 0.95 0.83 2r9yA1 SER 245 H -0.13 0.02 -0.15 -0.55 8.46 7.65 2r9yA1 SER 245 HA -0.03 0.19 0.61 -0.75 4.49 4.50 2r9yA1 SER 245 HB2 -0.03 0.06 -0.21 -0.04 3.95 3.73 2r9yA1 SER 245 HB3 -0.05 -0.06 0.06 -0.04 3.93 3.84 2r9yA1 TYR 246 H 0.04 0.69 0.11 -0.55 8.29 8.58 2r9yA1 TYR 246 HA -0.17 0.13 0.46 -0.75 4.56 4.23 2r9yA1 TYR 246 HB2 -0.22 -0.12 0.05 -0.04 3.06 2.73 2r9yA1 TYR 246 HB3 -0.11 0.05 -0.02 -0.04 2.98 2.85 2r9yA1 TYR 246 HD2 -0.36 -0.06 -0.23 -0.04 7.15 6.46 2r9yA1 TYR 246 HE2 -0.60 0.09 -0.08 -0.04 6.85 6.22 2r9yA1 PRO 247 HA -0.05 0.09 0.47 -0.51 4.44 4.43 2r9yA1 PRO 247 HB2 -0.13 0.00 0.01 -0.04 2.28 2.12 2r9yA1 PRO 247 HB3 -0.12 0.01 0.00 -0.04 2.02 1.87 2r9yA1 PRO 247 HG2 -0.36 0.01 0.11 -0.04 2.03 1.76 2r9yA1 PRO 247 HG3 -0.25 0.01 0.07 -0.04 2.03 1.81 2r9yA1 PRO 247 HD2 -1.40 0.10 0.19 -0.04 3.68 2.53 2r9yA1 PRO 247 HD3 -0.49 0.15 0.23 -0.04 3.65 3.50 2r9yA1 LEU 248 H 0.02 0.38 0.24 -0.55 8.37 8.47 2r9yA1 LEU 248 HA -0.04 0.23 1.07 -0.75 4.35 4.85 2r9yA1 LEU 248 HB2 0.05 0.01 -0.34 -0.04 1.64 1.32 2r9yA1 LEU 248 HB3 0.04 0.04 -0.00 -0.04 1.64 1.67 2r9yA1 LEU 248 HG -0.23 -0.03 -0.35 -0.04 1.64 0.99 2r9yA1 LEU 248 HD13 -0.84 0.02 -0.07 -0.04 0.93 -0.00 2r9yA1 LEU 248 HD23 -0.45 -0.02 -0.17 -0.04 0.89 0.21 2r9yA1 ARG 249 H -0.03 0.32 0.19 -0.55 8.46 8.39 2r9yA1 ARG 249 HA 0.07 0.22 0.74 -0.75 4.34 4.62 2r9yA1 ARG 249 HB2 0.03 -0.03 0.21 -0.04 1.90 2.07 2r9yA1 ARG 249 HB3 0.06 0.00 -0.04 -0.04 1.80 1.78 2r9yA1 ARG 249 HG2 -0.01 0.19 -0.34 -0.04 1.67 1.47 2r9yA1 ARG 249 HG3 -0.01 -0.13 -0.11 -0.04 1.67 1.38 2r9yA1 ARG 249 HD2 -0.09 -0.10 -0.03 -0.04 3.22 2.95 2r9yA1 ARG 249 HD3 -0.07 0.35 -0.07 -0.04 3.22 3.38 2r9yA1 TRP 250 H 0.20 0.34 0.09 -0.55 7.97 8.04 2r9yA1 TRP 250 HA -0.27 0.00 1.02 -0.75 4.62 4.61 2r9yA1 TRP 250 HB2 -0.44 0.00 -0.21 -0.04 3.23 2.54 2r9yA1 TRP 250 HB3 -0.17 0.00 -0.07 -0.04 3.23 2.94 2r9yA1 TRP 250 HD1 -0.55 0.25 -0.10 -0.04 7.22 6.78 2r9yA1 TRP 250 HE1 -0.05 -0.04 -0.11 -0.04 10.20 9.96 2r9yA1 TRP 250 HE3 -0.04 0.00 -0.15 -0.04 7.59 7.36 2r9yA1 TRP 250 HZ2 0.21 -0.01 -0.03 -0.04 7.44 7.56 2r9yA1 TRP 250 HZ3 0.09 0.00 -0.28 -0.04 7.13 6.90 2r9yA1 TRP 250 HH2 0.14 0.07 -0.10 -0.04 7.19 7.26 2r9yA1 PHE 251 H -0.39 0.71 0.39 -0.55 8.34 8.50 2r9yA1 PHE 251 HA -0.40 0.13 0.75 -0.75 4.62 4.34 2r9yA1 PHE 251 HB2 -0.11 -0.05 0.11 -0.04 3.15 3.06 2r9yA1 PHE 251 HB3 -0.12 0.08 -0.20 -0.04 3.06 2.77 2r9yA1 PHE 251 HD2 -0.02 -0.02 -0.37 -0.04 7.28 6.84 2r9yA1 PHE 251 HE2 0.03 -0.00 -0.16 -0.04 7.38 7.20 2r9yA1 PHE 251 HZ 0.14 0.21 -0.02 -0.04 7.32 7.62 2r9yA1 LEU 252 H 0.08 0.19 0.20 -0.55 8.37 8.28 2r9yA1 LEU 252 HA -0.04 0.30 1.00 -0.75 4.35 4.85 2r9yA1 LEU 252 HB2 -0.12 0.02 -0.10 -0.04 1.64 1.39 2r9yA1 LEU 252 HB3 -0.05 -0.05 0.06 -0.04 1.64 1.56 2r9yA1 LEU 252 HG 0.01 -0.07 -0.54 -0.04 1.64 1.00 2r9yA1 LEU 252 HD13 0.02 0.05 -0.27 -0.04 0.93 0.69 2r9yA1 LEU 252 HD23 -0.02 -0.00 -0.09 -0.04 0.89 0.73 2r9yA1 LEU 253 H 0.03 0.92 0.28 -0.55 8.37 9.05 2r9yA1 LEU 253 HA 0.07 0.08 0.80 -0.75 4.35 4.55 2r9yA1 LEU 253 HB2 0.04 -0.06 0.18 -0.04 1.64 1.75 2r9yA1 LEU 253 HB3 0.05 0.01 0.07 -0.04 1.64 1.72 2r9yA1 LEU 253 HG 0.07 0.07 -0.09 -0.04 1.64 1.65 2r9yA1 LEU 253 HD13 0.04 0.03 -0.09 -0.04 0.93 0.87 2r9yA1 LEU 253 HD23 0.19 0.01 -0.07 -0.04 0.89 0.98 2r9yA1 GLU 254 H 0.02 0.19 -0.03 -0.55 8.60 8.24 2r9yA1 GLU 254 HA 0.01 0.07 0.16 -0.75 4.29 3.77 2r9yA1 GLU 254 HB2 0.00 0.03 0.11 -0.04 2.09 2.20 2r9yA1 GLU 254 HB3 0.00 -0.08 0.15 -0.04 1.99 2.03 2r9yA1 GLU 254 HG2 -0.00 0.01 -0.01 -0.04 2.34 2.30 2r9yA1 GLU 254 HG3 -0.01 0.00 -0.00 -0.04 2.34 2.30 2r9yA1 GLN 255 H 0.01 0.06 0.03 -0.55 8.47 8.03 2r9yA1 GLN 255 HA -0.00 0.06 0.32 -0.75 4.36 3.98 2r9yA1 PRO 256 HA 0.02 0.10 0.51 -0.51 4.44 4.56 2r9yA1 PRO 256 HB2 0.04 0.03 -0.14 -0.04 2.28 2.17 2r9yA1 PRO 256 HB3 0.04 0.04 0.05 -0.04 2.02 2.11 2r9yA1 PRO 256 HG2 0.03 0.07 -0.02 -0.04 2.03 2.06 2r9yA1 PRO 256 HG3 0.02 0.04 0.00 -0.04 2.03 2.05 2r9yA1 PRO 256 HD2 0.03 0.15 -0.56 -0.04 3.68 3.25 2r9yA1 PRO 256 HD3 0.02 -0.05 -0.00 -0.04 3.65 3.58 2r9yA1 GLU 257 H 0.03 0.35 -0.51 -0.55 8.60 7.92 2r9yA1 GLU 257 HA 0.05 0.06 0.31 -0.75 4.29 3.96 2r9yA1 GLU 257 HB2 0.14 0.13 0.06 -0.04 2.09 2.38 2r9yA1 GLU 257 HB3 0.14 -0.13 0.18 -0.04 1.99 2.14 2r9yA1 GLU 257 HG2 0.02 -0.07 0.01 -0.04 2.34 2.26 2r9yA1 GLU 257 HG3 0.00 0.21 -0.07 -0.04 2.34 2.44 2r9yA1 ILE 258 H 0.04 0.42 0.06 -0.55 8.25 8.22 2r9yA1 ILE 258 HA -0.01 0.21 0.99 -0.75 4.18 4.61 2r9yA1 ILE 258 HB -0.01 -0.09 -0.05 -0.04 1.89 1.69 2r9yA1 ILE 258 HG12 -0.12 0.04 -0.23 -0.04 1.49 1.15 2r9yA1 ILE 258 HG13 0.04 -0.02 -0.76 -0.04 1.21 0.43 2r9yA1 ILE 258 HG23 -0.10 0.03 -0.39 -0.04 0.93 0.42 2r9yA1 ILE 258 HD13 -0.06 -0.01 -0.13 -0.04 0.88 0.64 2r9yA1 GLN 259 H 0.05 0.66 0.21 -0.55 8.47 8.85 2r9yA1 GLN 259 HA 0.03 0.15 0.96 -0.75 4.36 4.74 2r9yA1 GLN 259 HB2 0.31 0.08 0.12 -0.04 2.15 2.62 2r9yA1 GLN 259 HB3 0.58 -0.01 -0.02 -0.04 2.02 2.54 2r9yA1 GLN 259 HG2 0.19 -0.04 -0.07 -0.04 2.40 2.43 2r9yA1 GLN 259 HG3 0.18 0.00 -0.06 -0.04 2.39 2.47 2r9yA1 GLN 259 HE21 0.43 0.01 -0.02 -0.04 6.97 7.36 2r9yA1 GLN 259 HE22 0.23 -0.03 -0.05 -0.04 7.69 7.79 2r9yA1 VAL 260 H -0.21 0.67 0.37 -0.55 8.24 8.52 2r9yA1 VAL 260 HA -0.11 0.44 1.03 -0.75 4.13 4.74 2r9yA1 VAL 260 HB -1.27 -0.10 0.02 -0.04 2.12 0.73 2r9yA1 VAL 260 HG13 -0.14 0.03 -0.14 -0.04 0.97 0.69 2r9yA1 VAL 260 HG23 -0.12 -0.02 -0.29 -0.04 0.95 0.48 2r9yA1 ALA 261 H -0.11 0.53 0.34 -0.55 8.40 8.61 2r9yA1 ALA 261 HA -0.16 0.24 1.05 -0.75 4.34 4.71 2r9yA1 ALA 261 HB3 -0.74 -0.01 -0.04 -0.04 1.41 0.58 2r9yA1 HIS 262 H -0.04 0.57 0.31 -0.55 8.41 8.70 2r9yA1 HIS 262 HA 0.07 0.17 1.00 -0.75 4.63 5.11 2r9yA1 HIS 262 HB2 0.02 0.02 0.20 -0.04 3.26 3.47 2r9yA1 HIS 262 HB3 0.08 -0.04 -0.06 -0.04 3.20 3.13 2r9yA1 HIS 262 HD2 0.10 -0.04 -0.29 -0.04 6.97 6.70 2r9yA1 HIS 262 HE1 0.17 0.08 -0.42 -0.04 7.75 7.54 2r9yA1 PHE 263 H 0.35 0.77 0.27 -0.55 8.34 9.18 2r9yA1 PHE 263 HA 0.13 0.24 1.00 -0.75 4.62 5.24 2r9yA1 PHE 263 HB2 0.31 -0.01 0.25 -0.04 3.15 3.66 2r9yA1 PHE 263 HB3 -0.38 0.01 0.05 -0.04 3.06 2.70 2r9yA1 PHE 263 HD2 -0.13 0.09 -0.06 -0.04 7.28 7.14 2r9yA1 PHE 263 HE2 -0.16 -0.02 -0.14 -0.04 7.38 7.02 2r9yA1 PHE 263 HZ 0.12 -0.00 -0.16 -0.04 7.32 7.23 2r9yA1 PRO 264 HA 0.27 0.06 0.66 -0.51 4.44 4.92 2r9yA1 PRO 264 HB2 0.20 -0.06 0.11 -0.04 2.28 2.48 2r9yA1 PRO 264 HB3 0.19 0.07 0.13 -0.04 2.02 2.37 2r9yA1 PRO 264 HG2 0.10 0.03 0.11 -0.04 2.03 2.22 2r9yA1 PRO 264 HG3 0.14 0.04 0.04 -0.04 2.03 2.21 2r9yA1 PRO 264 HD2 0.19 0.08 0.27 -0.04 3.68 4.19 2r9yA1 PRO 264 HD3 0.12 0.39 0.16 -0.04 3.65 4.29 2r9yA1 PHE 265 H 0.36 0.65 0.34 -0.55 8.34 9.15 2r9yA1 PHE 265 HA 0.29 0.12 0.79 -0.75 4.62 5.07 2r9yA1 PHE 265 HB2 0.24 -0.03 -0.10 -0.04 3.15 3.21 2r9yA1 PHE 265 HB3 0.13 -0.13 0.06 -0.04 3.06 3.07 2r9yA1 PHE 265 HD2 -0.04 -0.03 -0.47 -0.04 7.28 6.71 2r9yA1 PHE 265 HE2 -0.65 0.05 -0.20 -0.04 7.38 6.53 2r9yA1 PHE 265 HZ -0.21 0.03 -0.08 -0.04 7.32 7.02 2r9yA1 LYS 266 H 0.34 0.50 0.24 -0.55 8.42 8.94 2r9yA1 LYS 266 HA 0.17 0.05 0.38 -0.75 4.32 4.16 2r9yA1 LYS 266 HB2 0.16 0.13 0.08 -0.04 1.87 2.21 2r9yA1 LYS 266 HB3 0.09 -0.05 0.17 -0.04 1.79 1.96 2r9yA1 LYS 266 HG2 -0.03 -0.00 0.01 -0.04 1.46 1.39 2r9yA1 LYS 266 HG3 0.01 0.01 -0.10 -0.04 1.46 1.34 2r9yA1 LYS 266 HD2 0.08 0.00 0.16 -0.04 1.69 1.89 2r9yA1 LYS 266 HD3 0.07 -0.00 0.07 -0.04 1.68 1.78 2r9yA1 LYS 266 HE2 -0.01 -0.00 0.02 -0.04 2.99 2.96 2r9yA1 LYS 266 HE3 0.01 0.00 0.01 -0.04 2.99 2.97 2r9yA1 ASN 267 H 0.16 0.06 -0.07 -0.55 8.53 8.13 2r9yA1 ASN 267 HA 0.07 0.17 0.42 -0.75 4.76 4.68 2r9yA1 ASN 267 HB2 0.04 -0.08 0.13 -0.04 2.88 2.93 2r9yA1 ASN 267 HB3 0.04 0.20 0.26 -0.04 2.79 3.24 2r9yA1 ASN 267 HD21 -0.05 -0.06 -0.03 -0.04 7.03 6.85 2r9yA1 ASN 267 HD22 -0.04 0.20 -0.02 -0.04 7.74 7.84 2r9yA1 ASN 268 H 0.15 0.46 0.01 -0.55 8.53 8.61 2r9yA1 ASN 268 HA 0.19 0.06 0.32 -0.75 4.76 4.58 2r9yA1 ASN 268 HB2 0.12 0.27 0.01 -0.04 2.88 3.24 2r9yA1 ASN 268 HB3 0.18 -0.25 0.27 -0.04 2.79 2.95 2r9yA1 ASN 268 HD21 0.07 -0.01 -0.01 -0.04 7.03 7.04 2r9yA1 ASN 268 HD22 0.07 0.09 -0.14 -0.04 7.74 7.72 2r9yA1 MET 269 H 0.31 0.17 -0.25 -0.55 8.47 8.16 2r9yA1 MET 269 HA 0.35 0.28 0.99 -0.75 4.52 5.39 2r9yA1 MET 269 HB2 0.40 -0.15 -0.11 -0.04 2.15 2.25 2r9yA1 MET 269 HB3 0.55 -0.01 0.00 -0.04 2.03 2.53 2r9yA1 MET 269 HG2 0.31 0.03 -0.01 -0.04 2.63 2.92 2r9yA1 MET 269 HG3 0.24 0.15 -0.29 -0.04 2.56 2.61 2r9yA1 MET 269 HE3 0.08 0.03 -0.05 -0.04 2.10 2.12 2r9yA1 SER 270 H 0.45 0.55 0.30 -0.55 8.46 9.22 2r9yA1 SER 270 HA 0.32 0.09 0.86 -0.75 4.49 5.01 2r9yA1 SER 270 HB2 0.35 -0.02 -0.05 -0.04 3.95 4.19 2r9yA1 SER 270 HB3 0.32 0.05 -0.20 -0.04 3.93 4.05 2r9yA1 PHE 271 H 0.31 0.77 0.27 -0.55 8.34 9.13 2r9yA1 PHE 271 HA 0.33 0.17 1.01 -0.75 4.62 5.38 2r9yA1 PHE 271 HB2 0.21 -0.04 0.07 -0.04 3.15 3.34 2r9yA1 PHE 271 HB3 0.42 0.02 0.23 -0.04 3.06 3.69 2r9yA1 PHE 271 HD2 0.19 -0.03 -0.10 -0.04 7.28 7.29 2r9yA1 PHE 271 HE2 -0.41 -0.02 -0.18 -0.04 7.38 6.74 2r9yA1 PHE 271 HZ -0.04 0.00 -0.18 -0.04 7.32 7.06 2r9yA1 VAL 272 H -0.05 0.81 0.34 -0.55 8.24 8.79 2r9yA1 VAL 272 HA -0.15 0.28 1.13 -0.75 4.13 4.64 2r9yA1 VAL 272 HB 0.01 -0.12 0.22 -0.04 2.12 2.19 2r9yA1 VAL 272 HG13 -0.30 0.02 -0.23 -0.04 0.97 0.42 2r9yA1 VAL 272 HG23 -0.23 0.01 -0.10 -0.04 0.95 0.58 2r9yA1 VAL 273 H 0.01 0.57 0.34 -0.55 8.24 8.62 2r9yA1 VAL 273 HA 0.06 0.13 0.72 -0.75 4.13 4.28 2r9yA1 VAL 273 HB 0.25 -0.05 0.16 -0.04 2.12 2.44 2r9yA1 VAL 273 HG13 0.00 -0.00 -0.19 -0.04 0.97 0.74 2r9yA1 VAL 273 HG23 0.14 0.00 -0.09 -0.04 0.95 0.96 2r9yA1 VAL 274 H 0.24 0.75 0.35 -0.55 8.24 9.04 2r9yA1 VAL 274 HA 0.01 0.24 0.98 -0.75 4.13 4.61 2r9yA1 VAL 274 HB 0.10 -0.04 0.15 -0.04 2.12 2.29 2r9yA1 VAL 274 HG13 -0.07 -0.01 -0.15 -0.04 0.97 0.69 2r9yA1 VAL 274 HG23 0.06 0.01 -0.29 -0.04 0.95 0.69 2r9yA1 MET 275 H 0.04 0.72 0.18 -0.55 8.47 8.86 2r9yA1 MET 275 HA 0.03 0.23 0.99 -0.75 4.52 5.01 2r9yA1 MET 275 HB2 0.10 -0.10 -0.11 -0.04 2.15 2.01 2r9yA1 MET 275 HB3 0.14 -0.08 0.11 -0.04 2.03 2.15 2r9yA1 MET 275 HG2 0.02 0.07 -0.18 -0.04 2.63 2.50 2r9yA1 MET 275 HG3 0.14 0.35 -0.02 -0.04 2.56 2.99 2r9yA1 MET 275 HE3 -0.02 -0.00 -0.07 -0.04 2.10 1.97 2r9yA1 PRO 276 HA -0.17 0.15 0.83 -0.51 4.44 4.73 2r9yA1 PRO 276 HB2 -0.91 0.16 0.07 -0.04 2.28 1.56 2r9yA1 PRO 276 HB3 -0.80 0.07 0.11 -0.04 2.02 1.34 2r9yA1 PRO 276 HG2 -2.82 -0.01 0.01 -0.04 2.03 -0.83 2r9yA1 PRO 276 HG3 -0.89 -0.02 -0.01 -0.04 2.03 1.06 2r9yA1 PRO 276 HD2 -0.50 0.25 0.26 -0.04 3.68 3.65 2r9yA1 PRO 276 HD3 -0.62 0.21 0.23 -0.04 3.65 3.43 2r9yA1 THR 277 H 0.06 0.64 0.35 -0.55 8.28 8.78 2r9yA1 THR 277 HA -0.06 0.17 0.62 -0.75 4.39 4.37 2r9yA1 THR 277 HB 0.04 -0.06 0.20 -0.04 4.32 4.45 2r9yA1 THR 277 HG23 0.07 -0.01 -0.03 -0.04 1.22 1.20 2r9yA1 TYR 278 H -0.26 0.23 -0.43 -0.55 8.29 7.28 2r9yA1 TYR 278 HA -0.08 0.10 0.68 -0.75 4.56 4.50 2r9yA1 TYR 278 HB2 0.09 -0.11 0.06 -0.04 3.06 3.05 2r9yA1 TYR 278 HB3 0.03 0.05 -0.09 -0.04 2.98 2.93 2r9yA1 TYR 278 HD2 0.10 -0.09 -0.14 -0.04 7.15 6.98 2r9yA1 TYR 278 HE2 0.10 0.24 -0.01 -0.04 6.85 7.14 2r9yA1 PHE 279 H 0.29 0.04 0.12 -0.55 8.34 8.24 2r9yA1 PHE 279 HA 0.11 0.28 0.49 -0.75 4.62 4.74 2r9yA1 PHE 279 HB2 0.07 -0.10 0.16 -0.04 3.15 3.23 2r9yA1 PHE 279 HB3 0.00 0.05 0.06 -0.04 3.06 3.13 2r9yA1 PHE 279 HD2 0.04 0.03 0.03 -0.04 7.28 7.35 2r9yA1 PHE 279 HE2 -0.01 0.16 -0.12 -0.04 7.38 7.38 2r9yA1 PHE 279 HZ -0.06 0.05 -0.14 -0.04 7.32 7.13 2r9yA1 GLU 280 H 0.34 0.01 0.01 -0.55 8.60 8.41 2r9yA1 GLU 280 HA 0.00 0.17 0.59 -0.75 4.29 4.30 2r9yA1 GLU 280 HB2 0.20 -0.05 0.19 -0.04 2.09 2.39 2r9yA1 GLU 280 HB3 0.13 0.01 0.09 -0.04 1.99 2.18 2r9yA1 TRP 281 H -0.43 0.50 0.29 -0.55 7.97 7.78 2r9yA1 TRP 281 HA 0.12 0.09 0.66 -0.75 4.62 4.73 2r9yA1 TRP 281 HB2 0.01 -0.06 0.04 -0.04 3.23 3.17 2r9yA1 TRP 281 HB3 -0.05 0.06 -0.16 -0.04 3.23 3.04 2r9yA1 TRP 281 HD1 -0.56 0.05 -0.33 -0.04 7.22 6.33 2r9yA1 TRP 281 HE1 -0.15 0.14 0.03 -0.04 10.20 10.18 2r9yA1 TRP 281 HE3 -0.03 -0.07 -0.62 -0.04 7.59 6.83 2r9yA1 TRP 281 HZ2 0.06 0.04 -0.46 -0.04 7.44 7.04 2r9yA1 TRP 281 HZ3 -0.03 -0.11 -0.22 -0.04 7.13 6.72 2r9yA1 TRP 281 HH2 0.03 -0.02 -0.25 -0.04 7.19 6.90 2r9yA1 ASN 282 H 0.33 0.13 0.15 -0.55 8.53 8.59 2r9yA1 ASN 282 HA 0.05 0.32 0.80 -0.75 4.76 5.17 2r9yA1 ASN 282 HB2 0.02 -0.04 0.11 -0.04 2.88 2.93 2r9yA1 ASN 282 HB3 0.01 0.15 -0.00 -0.04 2.79 2.91 2r9yA1 ASN 282 HD21 0.06 0.02 -0.02 -0.04 7.03 7.05 2r9yA1 ASN 282 HD22 0.04 0.09 -0.07 -0.04 7.74 7.77 2r9yA1 VAL 283 H 0.05 0.27 0.11 -0.55 8.24 8.11 2r9yA1 VAL 283 HA 0.12 0.10 0.25 -0.75 4.13 3.85 2r9yA1 VAL 283 HB -0.24 0.01 0.11 -0.04 2.12 1.96 2r9yA1 VAL 283 HG13 -0.99 0.02 -0.19 -0.04 0.97 -0.23 2r9yA1 VAL 283 HG23 -0.07 0.03 0.01 -0.04 0.95 0.87 2r9yA1 SER 284 H -0.03 0.10 -0.17 -0.55 8.46 7.81 2r9yA1 SER 284 HA -0.06 0.11 0.36 -0.75 4.49 4.14 2r9yA1 SER 284 HB2 -0.00 -0.03 0.06 -0.04 3.95 3.93 2r9yA1 SER 284 HB3 -0.01 0.05 -0.03 -0.04 3.93 3.91 2r9yA1 GLU 285 H 0.07 0.09 -0.17 -0.55 8.60 8.04 2r9yA1 GLU 285 HA 0.04 0.09 0.42 -0.75 4.29 4.08 2r9yA1 GLU 285 HB2 0.09 0.05 0.07 -0.04 2.09 2.25 2r9yA1 GLU 285 HB3 0.08 -0.05 0.08 -0.04 1.99 2.06 2r9yA1 GLU 285 HG2 0.20 0.07 0.16 -0.04 2.34 2.73 2r9yA1 GLU 285 HG3 0.19 0.11 -0.14 -0.04 2.34 2.45 2r9yA1 VAL 286 H 0.07 0.36 -0.24 -0.55 8.24 7.88 2r9yA1 VAL 286 HA -0.03 0.09 0.44 -0.75 4.13 3.87 2r9yA1 VAL 286 HB -0.08 0.04 0.07 -0.04 2.12 2.10 2r9yA1 VAL 286 HG13 -0.20 0.01 -0.19 -0.04 0.97 0.54 2r9yA1 VAL 286 HG23 -0.44 0.01 -0.06 -0.04 0.95 0.42 2r9yA1 LEU 287 H -0.02 0.57 0.01 -0.55 8.37 8.39 2r9yA1 LEU 287 HA 0.03 -0.00 0.37 -0.75 4.35 3.99 2r9yA1 LEU 287 HB2 -0.02 0.09 0.14 -0.04 1.64 1.81 2r9yA1 LEU 287 HB3 0.02 -0.03 -0.01 -0.04 1.64 1.58 2r9yA1 LEU 287 HG -0.07 0.18 0.07 -0.04 1.64 1.78 2r9yA1 LEU 287 HD13 -0.10 -0.04 -0.06 -0.04 0.93 0.69 2r9yA1 LEU 287 HD23 0.27 -0.02 -0.03 -0.04 0.89 1.08 2r9yA1 ALA 288 H 0.01 0.38 -0.39 -0.55 8.40 7.86 2r9yA1 ALA 288 HA 0.01 0.00 0.32 -0.75 4.34 3.91 2r9yA1 ALA 288 HB3 0.02 0.03 0.08 -0.04 1.41 1.49 2r9yA1 ASN 289 H 0.00 0.50 -0.50 -0.55 8.53 7.99 2r9yA1 ASN 289 HA 0.01 0.07 0.72 -0.75 4.76 4.81 2r9yA1 ASN 289 HB2 0.00 0.19 0.08 -0.04 2.88 3.12 2r9yA1 ASN 289 HB3 0.01 -0.14 0.08 -0.04 2.79 2.71 2r9yA1 ASN 289 HD21 0.05 -0.12 -0.02 -0.04 7.03 6.90 2r9yA1 ASN 289 HD22 0.03 0.18 0.11 -0.04 7.74 8.02 2r9yA1 LEU 290 H -0.02 0.57 -0.17 -0.55 8.37 8.20 2r9yA1 LEU 290 HA -0.01 0.01 0.59 -0.75 4.35 4.18 2r9yA1 LEU 290 HB2 -0.08 0.15 0.12 -0.04 1.64 1.79 2r9yA1 LEU 290 HB3 -0.15 -0.02 -0.02 -0.04 1.64 1.41 2r9yA1 LEU 290 HG -0.02 0.15 -0.12 -0.04 1.64 1.60 2r9yA1 LEU 290 HD13 -0.05 -0.02 -0.12 -0.04 0.93 0.70 2r9yA1 LEU 290 HD23 -0.03 -0.01 -0.17 -0.04 0.89 0.63 2r9yA1 THR 291 H 0.00 0.07 0.15 -0.55 8.28 7.95 2r9yA1 THR 291 HA 0.01 0.30 0.85 -0.75 4.39 4.80 2r9yA1 THR 291 HB 0.11 -0.13 0.17 -0.04 4.32 4.42 2r9yA1 THR 291 HG23 0.05 0.06 -0.12 -0.04 1.22 1.16 2r9yA1 TRP 292 H 0.28 0.18 0.14 -0.55 7.97 8.02 2r9yA1 TRP 292 HA 0.01 0.16 0.49 -0.75 4.62 4.52 2r9yA1 TRP 292 HB2 0.03 -0.04 0.15 -0.04 3.23 3.33 2r9yA1 TRP 292 HB3 0.07 0.09 -0.05 -0.04 3.23 3.29 2r9yA1 TRP 292 HD1 -0.00 -0.02 0.01 -0.04 7.22 7.17 2r9yA1 TRP 292 HE1 -0.02 0.01 -0.01 -0.04 10.20 10.14 2r9yA1 TRP 292 HE3 0.03 -0.05 -0.01 -0.04 7.59 7.52 2r9yA1 TRP 292 HZ2 -0.06 0.01 -0.11 -0.04 7.44 7.24 2r9yA1 TRP 292 HZ3 -0.36 0.03 0.05 -0.04 7.13 6.80 2r9yA1 TRP 292 HH2 -0.14 0.12 -0.09 -0.04 7.19 7.04 2r9yA1 ASP 293 H 0.21 0.06 -0.07 -0.55 8.40 8.06 2r9yA1 ASP 293 HA 0.21 0.45 0.47 -0.75 4.63 5.00 2r9yA1 ASP 293 HB2 0.02 0.04 0.05 -0.04 2.71 2.77 2r9yA1 ASP 293 HB3 0.10 0.04 0.04 -0.04 2.70 2.83 2r9yA1 THR 294 H 0.12 0.01 -0.71 -0.55 8.28 7.15 2r9yA1 THR 294 HA 0.35 0.09 0.48 -0.75 4.39 4.56 2r9yA1 THR 294 HB 0.01 0.27 0.05 -0.04 4.32 4.60 2r9yA1 THR 294 HG23 0.11 0.01 -0.17 -0.04 1.22 1.13 2r9yA1 LEU 295 H 0.07 0.23 -0.26 -0.55 8.37 7.87 2r9yA1 LEU 295 HA 0.11 0.14 0.54 -0.75 4.35 4.39 2r9yA1 LEU 295 HB2 -0.25 0.07 0.07 -0.04 1.64 1.49 2r9yA1 LEU 295 HB3 -0.13 -0.03 -0.10 -0.04 1.64 1.35 2r9yA1 LEU 295 HG -0.61 -0.04 -0.07 -0.04 1.64 0.87 2r9yA1 LEU 295 HD13 -0.29 0.01 -0.28 -0.04 0.93 0.33 2r9yA1 LEU 295 HD23 -1.18 0.01 -0.08 -0.04 0.89 -0.40 2r9yA1 TYR 296 H 0.31 0.29 -0.12 -0.55 8.29 8.23 2r9yA1 TYR 296 HA 0.20 0.09 0.80 -0.75 4.56 4.90 2r9yA1 TYR 296 HB2 0.34 -0.02 -0.21 -0.04 3.06 3.12 2r9yA1 TYR 296 HB3 0.40 0.04 0.00 -0.04 2.98 3.38 2r9yA1 TYR 296 HD2 0.05 -0.05 -0.13 -0.04 7.15 6.98 2r9yA1 TYR 296 HE2 -0.17 0.05 -0.22 -0.04 6.85 6.47 2r9yA1 HIS 297 H 0.06 0.12 0.02 -0.55 8.41 8.06 2r9yA1 HIS 297 HA -0.17 0.05 0.24 -0.75 4.63 4.00 2r9yA1 HIS 297 HB2 -0.45 0.05 -0.14 -0.04 3.26 2.68 2r9yA1 HIS 297 HB3 -0.22 -0.03 0.06 -0.04 3.20 2.97 2r9yA1 HIS 297 HD2 -0.17 -0.04 0.02 -0.04 6.97 6.74 2r9yA1 HIS 297 HE1 -0.02 -0.01 0.00 -0.04 7.75 7.68 2r9yA1 PRO 298 HA -0.15 0.04 0.59 -0.51 4.44 4.41 2r9yA1 PRO 298 HB2 -0.20 -0.04 -0.10 -0.04 2.28 1.90 2r9yA1 PRO 298 HB3 -0.21 0.12 -0.03 -0.04 2.02 1.86 2r9yA1 PRO 298 HG2 -0.32 0.02 -0.01 -0.04 2.03 1.68 2r9yA1 PRO 298 HG3 -1.00 0.07 -0.12 -0.04 2.03 0.95 2r9yA1 PRO 298 HD2 -0.17 -0.02 -0.01 -0.04 3.68 3.44 2r9yA1 PRO 298 HD3 -0.15 0.16 -0.45 -0.04 3.65 3.17 2r9yA1 SER 299 H -0.14 0.10 0.16 -0.55 8.46 8.03 2r9yA1 SER 299 HA -0.09 0.11 0.26 -0.75 4.49 4.01 2r9yA1 SER 299 HB2 -0.07 -0.03 0.02 -0.04 3.95 3.83 2r9yA1 SER 299 HB3 -0.07 0.04 0.08 -0.04 3.93 3.94 2r9yA1 LEU 300 H -0.16 -0.04 -0.29 -0.55 8.37 7.33 2r9yA1 LEU 300 HA -0.08 -0.07 0.37 -0.75 4.35 3.81 2r9yA1 LEU 300 HB2 -0.19 -0.08 0.00 -0.04 1.64 1.32 2r9yA1 LEU 300 HB3 -0.07 0.01 -0.12 -0.04 1.64 1.42 2r9yA1 LEU 300 HG -0.02 0.29 -0.13 -0.04 1.64 1.74 2r9yA1 LEU 300 HD13 -0.07 -0.04 0.04 -0.04 0.93 0.82 2r9yA1 LEU 300 HD23 0.03 -0.03 -0.10 -0.04 0.89 0.76 2r9yA1 GLN 301 H -0.05 0.01 0.17 -0.55 8.47 8.05 2r9yA1 GLN 301 HA -0.04 0.05 0.56 -0.75 4.36 4.17 2r9yA1 GLN 301 HB2 -0.03 -0.08 0.15 -0.04 2.15 2.15 2r9yA1 GLN 301 HB3 -0.02 0.18 0.04 -0.04 2.02 2.17 2r9yA1 GLN 301 HG2 -0.03 0.01 0.09 -0.04 2.40 2.42 2r9yA1 GLN 301 HG3 -0.04 -0.02 0.09 -0.04 2.39 2.39 2r9yA1 GLN 301 HE21 -0.02 -0.03 0.02 -0.04 6.97 6.90 2r9yA1 GLN 301 HE22 -0.03 -0.01 0.03 -0.04 7.69 7.64 2r9yA1 GLU 302 H -0.03 0.05 0.12 -0.55 8.60 8.19 2r9yA1 GLU 302 HA 0.00 0.15 0.25 -0.75 4.29 3.94 2r9yA1 GLU 302 HB2 -0.03 -0.04 -0.00 -0.04 2.09 1.98 2r9yA1 GLU 302 HB3 -0.03 -0.08 -0.17 -0.04 1.99 1.67 2r9yA1 GLU 302 HG2 -0.02 0.00 -0.26 -0.04 2.34 2.01 2r9yA1 GLU 302 HG3 -0.02 0.04 -0.04 -0.04 2.34 2.28 2r9yA1 ARG 303 H 0.03 0.26 0.24 -0.55 8.46 8.43 2r9yA1 ARG 303 HA 0.01 0.12 0.75 -0.75 4.34 4.47 2r9yA1 ARG 303 HB2 0.02 0.05 -0.20 -0.04 1.90 1.74 2r9yA1 ARG 303 HB3 0.08 0.04 0.06 -0.04 1.80 1.94 2r9yA1 ARG 303 HG2 0.10 0.03 -0.13 -0.04 1.67 1.62 2r9yA1 ARG 303 HG3 0.04 0.04 0.05 -0.04 1.67 1.76 2r9yA1 ARG 303 HD2 0.02 -0.02 -0.01 -0.04 3.22 3.17 2r9yA1 ARG 303 HD3 0.04 -0.04 0.01 -0.04 3.22 3.18 2r9yA1 PRO 304 HA 0.01 0.18 0.35 -0.51 4.44 4.47 2r9yA1 PRO 304 HB2 0.03 0.01 0.07 -0.04 2.28 2.34 2r9yA1 PRO 304 HB3 0.00 0.02 -0.02 -0.04 2.02 1.98 2r9yA1 PRO 304 HG2 0.00 0.03 -0.02 -0.04 2.03 2.00 2r9yA1 PRO 304 HG3 -0.01 0.03 -0.05 -0.04 2.03 1.96 2r9yA1 PRO 304 HD2 0.02 0.10 0.18 -0.04 3.68 3.94 2r9yA1 PRO 304 HD3 0.00 0.13 0.11 -0.04 3.65 3.84 2r9yA1 THR 305 H 0.05 0.42 0.25 -0.55 8.28 8.46 2r9yA1 THR 305 HA 0.13 0.14 0.88 -0.75 4.39 4.78 2r9yA1 THR 305 HB 0.07 -0.04 0.01 -0.04 4.32 4.32 2r9yA1 THR 305 HG23 0.04 0.03 -0.22 -0.04 1.22 1.02 2r9yA1 LYS 306 H 0.10 0.42 0.20 -0.55 8.42 8.59 2r9yA1 LYS 306 HA -0.16 0.17 0.67 -0.75 4.32 4.25 2r9yA1 LYS 306 HB2 0.17 0.07 0.06 -0.04 1.87 2.12 2r9yA1 LYS 306 HB3 0.05 -0.07 -0.05 -0.04 1.79 1.68 2r9yA1 LYS 306 HG2 -0.12 -0.01 0.21 -0.04 1.46 1.50 2r9yA1 LYS 306 HG3 0.03 0.11 0.16 -0.04 1.46 1.72 2r9yA1 LYS 306 HD2 0.42 -0.04 -0.03 -0.04 1.69 2.00 2r9yA1 LYS 306 HD3 0.18 -0.05 0.02 -0.04 1.68 1.79 2r9yA1 LYS 306 HE2 0.12 -0.04 0.04 -0.04 2.99 3.07 2r9yA1 LYS 306 HE3 0.19 0.10 -0.06 -0.04 2.99 3.18 2r9yA1 VAL 307 H -0.41 0.56 0.32 -0.55 8.24 8.16 2r9yA1 VAL 307 HA 0.04 0.32 1.07 -0.75 4.13 4.81 2r9yA1 VAL 307 HB -0.15 -0.12 0.05 -0.04 2.12 1.86 2r9yA1 VAL 307 HG13 0.09 -0.00 -0.28 -0.04 0.97 0.74 2r9yA1 VAL 307 HG23 -0.02 0.05 -0.29 -0.04 0.95 0.65 2r9yA1 TRP 308 H 0.22 0.65 0.33 -0.55 7.97 8.61 2r9yA1 TRP 308 HA -0.01 0.42 0.80 -0.75 4.62 5.08 2r9yA1 TRP 308 HB2 -0.10 -0.10 0.14 -0.04 3.23 3.12 2r9yA1 TRP 308 HB3 -0.08 0.02 -0.05 -0.04 3.23 3.07 2r9yA1 TRP 308 HD1 -0.09 0.04 -0.10 -0.04 7.22 7.03 2r9yA1 TRP 308 HE1 -0.44 -0.01 -0.08 -0.04 10.20 9.63 2r9yA1 TRP 308 HE3 -0.01 0.06 -0.37 -0.04 7.59 7.23 2r9yA1 TRP 308 HZ2 -0.24 -0.02 -0.08 -0.04 7.44 7.06 2r9yA1 TRP 308 HZ3 0.06 -0.02 -0.20 -0.04 7.13 6.93 2r9yA1 TRP 308 HH2 0.06 -0.01 -0.09 -0.04 7.19 7.11 2r9yA1 LEU 309 H -0.17 0.56 0.06 -0.55 8.37 8.27 2r9yA1 LEU 309 HA -0.19 0.18 0.83 -0.75 4.35 4.41 2r9yA1 LEU 309 HB2 -0.44 -0.02 -0.25 -0.04 1.64 0.89 2r9yA1 LEU 309 HB3 -0.75 -0.06 -0.06 -0.04 1.64 0.73 2r9yA1 LEU 309 HG -0.41 0.15 -0.23 -0.04 1.64 1.10 2r9yA1 LEU 309 HD13 -0.28 -0.00 -0.04 -0.04 0.93 0.57 2r9yA1 LEU 309 HD23 -1.17 -0.02 -0.13 -0.04 0.89 -0.47 2r9yA1 PRO 310 HA -0.05 0.09 0.54 -0.51 4.44 4.51 2r9yA1 PRO 310 HB2 -0.02 0.16 -0.08 -0.04 2.28 2.30 2r9yA1 PRO 310 HB3 0.05 -0.02 0.01 -0.04 2.02 2.02 2r9yA1 PRO 310 HG2 0.11 -0.04 0.00 -0.04 2.03 2.06 2r9yA1 PRO 310 HG3 0.26 0.10 0.01 -0.04 2.03 2.35 2r9yA1 PRO 310 HD2 -0.13 0.02 0.21 -0.04 3.68 3.74 2r9yA1 PRO 310 HD3 0.03 0.40 0.17 -0.04 3.65 4.20 2r9yA1 LYS 311 H -0.09 0.50 0.34 -0.55 8.42 8.63 2r9yA1 LYS 311 HA -0.11 0.10 0.65 -0.75 4.32 4.21 2r9yA1 LYS 311 HB2 -0.06 -0.05 0.20 -0.04 1.87 1.91 2r9yA1 LYS 311 HB3 -0.07 0.04 0.11 -0.04 1.79 1.83 2r9yA1 LYS 311 HG2 -0.07 -0.03 0.12 -0.04 1.46 1.45 2r9yA1 LYS 311 HG3 -0.09 -0.01 0.03 -0.04 1.46 1.36 2r9yA1 LYS 311 HD2 -0.03 -0.05 0.01 -0.04 1.69 1.58 2r9yA1 LYS 311 HD3 -0.04 -0.02 0.03 -0.04 1.68 1.61 2r9yA1 LYS 311 HE2 -0.04 0.09 0.07 -0.04 2.99 3.06 2r9yA1 LYS 311 HE3 -0.03 -0.12 0.14 -0.04 2.99 2.94 2r9yA1 LEU 312 H -0.12 0.47 0.38 -0.55 8.37 8.55 2r9yA1 LEU 312 HA -0.06 0.21 0.92 -0.75 4.35 4.66 2r9yA1 LEU 312 HB2 -0.17 -0.10 0.05 -0.04 1.64 1.37 2r9yA1 LEU 312 HB3 -0.11 -0.02 -0.05 -0.04 1.64 1.42 2r9yA1 LEU 312 HG -0.04 0.18 -0.55 -0.04 1.64 1.18 2r9yA1 LEU 312 HD13 0.03 -0.02 -0.15 -0.04 0.93 0.75 2r9yA1 LEU 312 HD23 -0.01 0.03 -0.04 -0.04 0.89 0.83 2r9yA1 HIS 313 H 0.01 0.28 0.09 -0.55 8.41 8.25 2r9yA1 HIS 313 HA -0.12 0.24 0.71 -0.75 4.63 4.71 2r9yA1 HIS 313 HB2 -0.09 -0.00 0.02 -0.04 3.26 3.14 2r9yA1 HIS 313 HB3 -0.07 -0.02 0.22 -0.04 3.20 3.29 2r9yA1 HIS 313 HD2 -0.07 -0.02 0.00 -0.04 6.97 6.83 2r9yA1 HIS 313 HE1 0.01 -0.01 -0.11 -0.04 7.75 7.60 2r9yA1 LEU 314 H -0.08 0.77 0.25 -0.55 8.37 8.75 2r9yA1 LEU 314 HA 0.06 0.16 0.91 -0.75 4.35 4.73 2r9yA1 LEU 314 HB2 0.03 -0.03 0.04 -0.04 1.64 1.64 2r9yA1 LEU 314 HB3 0.07 -0.02 -0.08 -0.04 1.64 1.57 2r9yA1 LEU 314 HG -0.04 -0.06 -0.15 -0.04 1.64 1.35 2r9yA1 LEU 314 HD13 0.08 0.01 -0.14 -0.04 0.93 0.85 2r9yA1 LEU 314 HD23 0.00 0.03 -0.10 -0.04 0.89 0.77 2r9yA1 GLN 315 H 0.06 0.23 0.15 -0.55 8.47 8.37 2r9yA1 GLN 315 HA 0.07 0.37 1.02 -0.75 4.36 5.07 2r9yA1 GLN 315 HB2 0.14 0.04 -0.16 -0.04 2.15 2.13 2r9yA1 GLN 315 HB3 0.07 -0.03 0.06 -0.04 2.02 2.08 2r9yA1 GLN 315 HG2 0.05 -0.07 -0.23 -0.04 2.40 2.10 2r9yA1 GLN 315 HG3 0.07 0.09 -0.06 -0.04 2.39 2.45 2r9yA1 GLN 315 HE21 0.05 0.02 -0.05 -0.04 6.97 6.95 2r9yA1 GLN 315 HE22 0.03 -0.04 -0.07 -0.04 7.69 7.57 2r9yA1 GLN 316 H 0.05 0.59 0.36 -0.55 8.47 8.92 2r9yA1 GLN 316 HA 0.02 0.13 0.94 -0.75 4.36 4.69 2r9yA1 GLN 316 HB2 0.05 0.03 0.20 -0.04 2.15 2.39 2r9yA1 GLN 316 HB3 0.03 0.01 0.05 -0.04 2.02 2.07 2r9yA1 GLN 316 HG2 0.02 0.05 0.20 -0.04 2.40 2.63 2r9yA1 GLN 316 HG3 0.03 -0.03 -0.05 -0.04 2.39 2.30 2r9yA1 GLN 316 HE21 0.02 -0.03 0.04 -0.04 6.97 6.97 2r9yA1 GLN 316 HE22 0.01 0.02 0.10 -0.04 7.69 7.78 2r9yA1 GLN 317 H -0.00 0.20 0.24 -0.55 8.47 8.36 2r9yA1 GLN 317 HA -0.02 0.34 1.13 -0.75 4.36 5.06 2r9yA1 GLN 317 HB2 -0.04 0.03 0.08 -0.04 2.15 2.18 2r9yA1 GLN 317 HB3 -0.05 -0.03 0.14 -0.04 2.02 2.04 2r9yA1 GLN 317 HG2 -0.11 -0.07 -0.12 -0.04 2.40 2.05 2r9yA1 GLN 317 HG3 -0.10 -0.09 0.01 -0.04 2.39 2.17 2r9yA1 GLN 317 HE21 -0.82 0.08 -0.07 -0.04 6.97 6.12 2r9yA1 GLN 317 HE22 -0.32 -0.13 -0.07 -0.04 7.69 7.13 2r9yA1 LEU 318 H 0.01 0.47 0.33 -0.55 8.37 8.62 2r9yA1 LEU 318 HA 0.00 0.07 0.88 -0.75 4.35 4.55 2r9yA1 LEU 318 HB2 0.05 0.06 -0.43 -0.04 1.64 1.28 2r9yA1 LEU 318 HB3 0.12 0.01 0.01 -0.04 1.64 1.74 2r9yA1 LEU 318 HG 0.05 -0.07 -0.32 -0.04 1.64 1.26 2r9yA1 LEU 318 HD13 0.01 -0.01 0.05 -0.04 0.93 0.94 2r9yA1 LEU 318 HD23 0.07 0.00 -0.10 -0.04 0.89 0.82 2r9yA1 ASP 319 H -0.01 0.19 0.22 -0.55 8.40 8.25 2r9yA1 ASP 319 HA 0.01 0.25 1.01 -0.75 4.63 5.15 2r9yA1 ASP 319 HB2 -0.03 0.06 0.16 -0.04 2.71 2.85 2r9yA1 ASP 319 HB3 -0.04 -0.01 0.23 -0.04 2.70 2.84 2r9yA1 LEU 320 H 0.04 0.85 0.36 -0.55 8.37 9.07 2r9yA1 LEU 320 HA 0.01 0.15 0.64 -0.75 4.35 4.39 2r9yA1 LEU 320 HB2 0.08 0.07 0.08 -0.04 1.64 1.83 2r9yA1 LEU 320 HB3 0.07 -0.06 0.12 -0.04 1.64 1.72 2r9yA1 LEU 320 HG 0.10 0.08 -0.15 -0.04 1.64 1.62 2r9yA1 LEU 320 HD13 0.02 0.01 -0.09 -0.04 0.93 0.83 2r9yA1 LEU 320 HD23 0.04 0.01 -0.11 -0.04 0.89 0.79 2r9yA1 VAL 321 H -0.11 0.09 -0.20 -0.55 8.24 7.47 2r9yA1 VAL 321 HA -0.74 0.08 0.33 -0.75 4.13 3.05 2r9yA1 VAL 321 HB -0.27 -0.02 0.11 -0.04 2.12 1.90 2r9yA1 VAL 321 HG13 -0.90 0.04 -0.12 -0.04 0.97 -0.05 2r9yA1 VAL 321 HG23 -0.24 0.01 -0.00 -0.04 0.95 0.68 2r9yA1 ALA 322 H -0.15 0.15 -0.11 -0.55 8.40 7.75 2r9yA1 ALA 322 HA -0.12 0.08 0.37 -0.75 4.34 3.92 2r9yA1 ALA 322 HB3 -0.06 0.04 0.07 -0.04 1.41 1.41 2r9yA1 THR 323 H -0.04 0.09 -0.25 -0.55 8.28 7.53 2r9yA1 THR 323 HA 0.01 0.10 0.36 -0.75 4.39 4.11 2r9yA1 THR 323 HB 0.02 -0.01 0.10 -0.04 4.32 4.38 2r9yA1 THR 323 HG23 0.02 0.01 -0.13 -0.04 1.22 1.08 2r9yA1 LEU 324 H 0.04 0.78 -0.05 -0.55 8.37 8.59 2r9yA1 LEU 324 HA 0.14 0.07 0.41 -0.75 4.35 4.22 2r9yA1 LEU 324 HB2 0.30 0.08 0.03 -0.04 1.64 2.02 2r9yA1 LEU 324 HB3 0.26 -0.06 -0.03 -0.04 1.64 1.77 2r9yA1 LEU 324 HG 0.13 0.02 0.04 -0.04 1.64 1.78 2r9yA1 LEU 324 HD13 0.19 -0.02 -0.11 -0.04 0.93 0.95 2r9yA1 LEU 324 HD23 0.21 0.00 -0.07 -0.04 0.89 0.99 2r9yA1 SER 325 H 0.04 0.60 -0.24 -0.55 8.46 8.30 2r9yA1 SER 325 HA 0.24 -0.15 0.26 -0.75 4.49 4.07 2r9yA1 SER 325 HB2 -0.01 0.17 0.14 -0.04 3.95 4.21 2r9yA1 SER 325 HB3 0.07 -0.05 -0.02 -0.04 3.93 3.88 2r9yA1 GLN 326 H 0.04 0.48 -0.20 -0.55 8.47 8.25 2r9yA1 GLN 326 HA 0.04 0.02 0.42 -0.75 4.36 4.08 2r9yA1 GLN 326 HB2 0.02 -0.03 0.10 -0.04 2.15 2.20 2r9yA1 GLN 326 HB3 0.03 0.16 0.16 -0.04 2.02 2.34 2r9yA1 GLN 326 HG2 0.02 -0.00 -0.04 -0.04 2.40 2.34 2r9yA1 GLN 326 HG3 0.03 0.02 -0.14 -0.04 2.39 2.26 2r9yA1 GLN 326 HE21 0.02 -0.03 0.01 -0.04 6.97 6.93 2r9yA1 GLN 326 HE22 0.02 -0.01 0.07 -0.04 7.69 7.73 2r9yA1 LEU 327 H 0.08 0.25 -0.32 -0.55 8.37 7.84 2r9yA1 LEU 327 HA 0.07 0.10 0.53 -0.75 4.35 4.31 2r9yA1 LEU 327 HB2 0.13 0.00 0.11 -0.04 1.64 1.84 2r9yA1 LEU 327 HB3 0.14 0.00 0.06 -0.04 1.64 1.81 2r9yA1 LEU 327 HG 0.07 0.08 -0.03 -0.04 1.64 1.72 2r9yA1 LEU 327 HD13 0.16 -0.03 -0.09 -0.04 0.93 0.93 2r9yA1 LEU 327 HD23 0.09 0.02 -0.06 -0.04 0.89 0.90 2r9yA1 GLY 328 H 0.08 0.20 -0.42 -0.55 8.43 7.75 2r9yA1 GLY 328 HA2 0.05 0.01 0.23 -0.51 4.01 3.79 2r9yA1 GLY 328 HA3 0.05 0.21 0.87 -0.51 4.01 4.63 2r9yA1 LEU 329 H 0.12 0.55 0.18 -0.55 8.37 8.67 2r9yA1 LEU 329 HA 0.02 0.18 0.81 -0.75 4.35 4.61 2r9yA1 LEU 329 HB2 0.16 0.09 -0.10 -0.04 1.64 1.76 2r9yA1 LEU 329 HB3 -0.04 -0.13 0.10 -0.04 1.64 1.53 2r9yA1 LEU 329 HG 0.06 0.07 -0.23 -0.04 1.64 1.51 2r9yA1 LEU 329 HD13 0.04 -0.01 -0.07 -0.04 0.93 0.85 2r9yA1 LEU 329 HD23 -0.01 0.03 -0.24 -0.04 0.89 0.62 2r9yA1 GLN 330 H 0.10 0.30 -0.19 -0.55 8.47 8.14 2r9yA1 GLN 330 HA 0.40 0.07 0.31 -0.75 4.36 4.39 2r9yA1 GLN 330 HB2 0.12 0.01 0.04 -0.04 2.15 2.28 2r9yA1 GLN 330 HB3 0.11 0.12 0.10 -0.04 2.02 2.32 2r9yA1 GLN 330 HG2 0.06 -0.05 -0.12 -0.04 2.40 2.25 2r9yA1 GLN 330 HG3 0.06 0.04 -0.05 -0.04 2.39 2.39 2r9yA1 GLN 330 HE21 0.03 0.08 -0.01 -0.04 6.97 7.03 2r9yA1 GLN 330 HE22 0.03 -0.04 -0.03 -0.04 7.69 7.61 2r9yA1 GLU 331 H 0.02 0.18 -0.30 -0.55 8.60 7.95 2r9yA1 GLU 331 HA 0.01 0.09 0.36 -0.75 4.29 3.99 2r9yA1 GLU 331 HB2 -0.01 0.05 0.02 -0.04 2.09 2.12 2r9yA1 GLU 331 HB3 -0.04 -0.01 -0.15 -0.04 1.99 1.75 2r9yA1 LEU 332 H -0.25 0.41 -0.30 -0.55 8.37 7.68 2r9yA1 LEU 332 HA -0.26 -0.01 0.48 -0.75 4.35 3.80 2r9yA1 LEU 332 HB2 -1.25 0.27 0.05 -0.04 1.64 0.67 2r9yA1 LEU 332 HB3 -0.87 -0.06 -0.04 -0.04 1.64 0.63 2r9yA1 LEU 332 HG -0.24 0.01 0.02 -0.04 1.64 1.39 2r9yA1 LEU 332 HD13 -0.24 0.01 -0.04 -0.04 0.93 0.61 2r9yA1 LEU 332 HD23 -0.17 -0.02 -0.03 -0.04 0.89 0.63 2r9yA1 PHE 333 H -0.13 0.43 -0.40 -0.55 8.34 7.69 2r9yA1 PHE 333 HA -0.01 0.27 0.72 -0.75 4.62 4.85 2r9yA1 PHE 333 HB2 0.00 0.06 0.06 -0.04 3.15 3.24 2r9yA1 PHE 333 HB3 -0.00 0.03 0.14 -0.04 3.06 3.19 2r9yA1 PHE 333 HD2 0.00 0.18 -0.09 -0.04 7.28 7.33 2r9yA1 PHE 333 HE2 0.01 -0.08 -0.29 -0.04 7.38 6.98 2r9yA1 PHE 333 HZ 0.02 -0.02 -0.14 -0.04 7.32 7.14 2r9yA1 GLN 334 H 0.01 0.09 -0.22 -0.55 8.47 7.81 2r9yA1 GLN 334 HA 0.05 0.20 0.88 -0.75 4.36 4.73 2r9yA1 GLN 334 HB2 0.03 -0.01 0.01 -0.04 2.15 2.14 2r9yA1 GLN 334 HB3 0.06 0.04 -0.05 -0.04 2.02 2.02 2r9yA1 GLN 334 HG2 0.04 -0.04 0.09 -0.04 2.40 2.45 2r9yA1 GLN 334 HG3 0.02 -0.00 -0.05 -0.04 2.39 2.33 2r9yA1 GLN 334 HE21 0.04 -0.01 -0.13 -0.04 6.97 6.83 2r9yA1 GLN 334 HE22 0.03 -0.04 -0.13 -0.04 7.69 7.51 2r9yA1 GLY 335 H -0.02 0.37 0.12 -0.55 8.43 8.35 2r9yA1 GLY 335 HA2 -0.01 0.16 0.44 -0.51 4.01 4.09 2r9yA1 GLY 335 HA3 -0.00 -0.03 0.43 -0.51 4.01 3.90 2r9yA1 PRO 336 HA -0.05 0.01 0.39 -0.51 4.44 4.28 2r9yA1 PRO 336 HB2 -0.08 -0.03 -0.13 -0.04 2.28 1.99 2r9yA1 PRO 336 HB3 -0.12 -0.04 0.02 -0.04 2.02 1.84 2r9yA1 PRO 336 HG2 -0.08 0.03 -0.15 -0.04 2.03 1.79 2r9yA1 PRO 336 HG3 -0.13 0.05 0.07 -0.04 2.03 1.99 2r9yA1 PRO 336 HD2 -0.05 0.33 0.22 -0.04 3.68 4.14 2r9yA1 PRO 336 HD3 -0.07 0.07 0.08 -0.04 3.65 3.68 2r9yA1 ASP 337 H -0.03 0.08 0.14 -0.55 8.40 8.04 2r9yA1 ASP 337 HA -0.02 0.21 0.86 -0.75 4.63 4.92 2r9yA1 ASP 337 HB2 -0.01 0.07 0.11 -0.04 2.71 2.84 2r9yA1 ASP 337 HB3 -0.01 -0.01 0.29 -0.04 2.70 2.93 2r9yA1 LEU 338 H -0.05 0.30 -0.08 -0.55 8.37 7.99 2r9yA1 LEU 338 HA -0.07 0.31 0.90 -0.75 4.35 4.74 2r9yA1 LEU 338 HB2 -0.10 -0.02 0.02 -0.04 1.64 1.50 2r9yA1 LEU 338 HB3 -0.15 0.02 0.10 -0.04 1.64 1.58 2r9yA1 LEU 338 HG -0.08 -0.11 -0.41 -0.04 1.64 1.00 2r9yA1 LEU 338 HD13 -0.11 0.00 -0.17 -0.04 0.93 0.61 2r9yA1 LEU 338 HD23 -0.07 0.03 -0.16 -0.04 0.89 0.65 2r9yA1 ARG 339 H -0.04 0.07 -0.21 -0.55 8.46 7.73 2r9yA1 ARG 339 HA -0.04 0.41 0.36 -0.75 4.34 4.32 2r9yA1 ARG 339 HB2 -0.02 -0.06 0.01 -0.04 1.90 1.79 2r9yA1 ARG 339 HB3 -0.01 0.02 0.00 -0.04 1.80 1.77 2r9yA1 ARG 339 HG2 -0.01 0.18 0.09 -0.04 1.67 1.89 2r9yA1 ARG 339 HG3 -0.01 -0.12 0.04 -0.04 1.67 1.54 2r9yA1 ARG 339 HD2 -0.00 0.01 0.03 -0.04 3.22 3.21 2r9yA1 ARG 339 HD3 -0.00 0.04 0.05 -0.04 3.22 3.27 2r9yA1 GLY 340 H -0.06 0.35 -0.40 -0.55 8.43 7.77 2r9yA1 GLY 340 HA2 -0.01 0.01 0.49 -0.51 4.01 3.98 2r9yA1 GLY 340 HA3 -0.04 0.09 0.27 -0.51 4.01 3.82 2r9yA1 ILE 341 H -0.25 0.52 -0.15 -0.55 8.25 7.82 2r9yA1 ILE 341 HA -0.79 0.08 0.69 -0.75 4.18 3.41 2r9yA1 ILE 341 HB -0.31 0.04 0.11 -0.04 1.89 1.68 2r9yA1 ILE 341 HG12 -1.84 0.03 -0.07 -0.04 1.49 -0.43 2r9yA1 ILE 341 HG13 -0.52 0.01 0.02 -0.04 1.21 0.68 2r9yA1 ILE 341 HG23 -0.39 -0.01 -0.11 -0.04 0.93 0.38 2r9yA1 ILE 341 HD13 -0.23 -0.01 -0.06 -0.04 0.88 0.54 2r9yA1 SER 342 H -0.11 0.41 0.11 -0.55 8.46 8.32 2r9yA1 SER 342 HA 0.00 0.12 0.69 -0.75 4.49 4.55 2r9yA1 SER 342 HB2 0.03 0.11 -0.23 -0.04 3.95 3.82 2r9yA1 SER 342 HB3 0.04 -0.15 -0.17 -0.04 3.93 3.62 2r9yA1 GLU 343 H 0.02 0.19 0.09 -0.55 8.60 8.36 2r9yA1 GLU 343 HA 0.00 0.10 0.37 -0.75 4.29 4.01 2r9yA1 GLU 343 HB2 0.01 -0.01 0.11 -0.04 2.09 2.15 2r9yA1 GLU 343 HB3 0.01 0.03 0.06 -0.04 1.99 2.05 2r9yA1 GLU 343 HG2 0.00 -0.01 0.04 -0.04 2.34 2.33 2r9yA1 GLU 343 HG3 0.00 0.00 0.02 -0.04 2.34 2.33 2r9yA1 GLN 344 H 0.05 0.17 -0.30 -0.55 8.47 7.85 2r9yA1 GLN 344 HA 0.05 0.02 0.41 -0.75 4.36 4.08 2r9yA1 ASN 345 H 0.51 0.17 -0.16 -0.55 8.53 8.50 2r9yA1 ASN 345 HA 0.07 0.05 0.28 -0.75 4.76 4.41 2r9yA1 ASN 345 HB2 0.08 -0.03 -0.04 -0.04 2.88 2.85 2r9yA1 ASN 345 HB3 0.11 0.06 0.11 -0.04 2.79 3.03 2r9yA1 ASN 345 HD21 0.02 0.01 -0.00 -0.04 7.03 7.02 2r9yA1 ASN 345 HD22 0.04 -0.01 -0.01 -0.04 7.74 7.72 2r9yA1 LEU 346 H -0.01 0.09 0.03 -0.55 8.37 7.94 2r9yA1 LEU 346 HA -0.19 0.11 0.27 -0.75 4.35 3.78 2r9yA1 LEU 346 HB2 -0.11 -0.03 -0.05 -0.04 1.64 1.41 2r9yA1 LEU 346 HB3 -0.19 0.02 -0.05 -0.04 1.64 1.38 2r9yA1 LEU 346 HG -0.04 -0.11 -0.17 -0.04 1.64 1.28 2r9yA1 LEU 346 HD13 -0.14 0.03 -0.08 -0.04 0.93 0.69 2r9yA1 LEU 346 HD23 -0.47 0.03 -0.17 -0.04 0.89 0.23 2r9yA1 VAL 347 H -0.16 0.18 0.16 -0.55 8.24 7.88 2r9yA1 VAL 347 HA -0.07 0.16 0.43 -0.75 4.13 3.90 2r9yA1 VAL 347 HB -0.01 0.12 -0.19 -0.04 2.12 2.00 2r9yA1 VAL 347 HG13 -0.01 -0.04 -0.14 -0.04 0.97 0.74 2r9yA1 VAL 347 HG23 0.02 0.05 -0.32 -0.04 0.95 0.66 2r9yA1 VAL 348 H -0.09 0.79 0.27 -0.55 8.24 8.66 2r9yA1 VAL 348 HA -0.02 0.04 0.80 -0.75 4.13 4.20 2r9yA1 VAL 348 HB -0.22 0.02 -0.06 -0.04 2.12 1.82 2r9yA1 VAL 348 HG13 0.11 -0.03 -0.18 -0.04 0.97 0.84 2r9yA1 VAL 348 HG23 -0.15 0.01 -0.03 -0.04 0.95 0.74 2r9yA1 SER 349 H 0.04 0.70 0.46 -0.55 8.46 9.11 2r9yA1 SER 349 HA 0.08 0.17 0.56 -0.75 4.49 4.55 2r9yA1 SER 349 HB2 0.02 0.06 0.11 -0.04 3.95 4.10 2r9yA1 SER 349 HB3 0.02 0.10 0.10 -0.04 3.93 4.12 2r9yA1 SER 350 H 0.09 0.30 0.24 -0.55 8.46 8.54 2r9yA1 SER 350 HA 0.03 0.08 0.74 -0.75 4.49 4.58 2r9yA1 SER 350 HB2 0.01 0.12 -0.24 -0.04 3.95 3.81 2r9yA1 SER 350 HB3 0.03 -0.06 0.03 -0.04 3.93 3.89 2r9yA1 VAL 351 H 0.05 0.08 0.11 -0.55 8.24 7.92 2r9yA1 VAL 351 HA 0.10 0.37 0.96 -0.75 4.13 4.81 2r9yA1 VAL 351 HB 0.12 -0.19 0.10 -0.04 2.12 2.11 2r9yA1 VAL 351 HG13 0.11 0.04 -0.11 -0.04 0.97 0.96 2r9yA1 VAL 351 HG23 0.26 0.01 -0.19 -0.04 0.95 0.99 2r9yA1 GLN 352 H 0.13 0.62 0.20 -0.55 8.47 8.87 2r9yA1 GLN 352 HA 0.07 0.14 0.86 -0.75 4.36 4.68 2r9yA1 GLN 352 HB2 0.07 -0.07 0.02 -0.04 2.15 2.14 2r9yA1 GLN 352 HB3 0.25 -0.03 0.11 -0.04 2.02 2.30 2r9yA1 GLN 352 HG2 -0.24 -0.01 -0.07 -0.04 2.40 2.05 2r9yA1 GLN 352 HG3 -0.20 0.08 -0.08 -0.04 2.39 2.15 2r9yA1 GLN 352 HE21 -0.06 -0.06 -0.08 -0.04 6.97 6.73 2r9yA1 GLN 352 HE22 -0.12 0.05 -0.15 -0.04 7.69 7.43 2r9yA1 HIS 353 H 0.17 0.69 0.47 -0.55 8.41 9.19 2r9yA1 HIS 353 HA 0.20 0.48 1.21 -0.75 4.63 5.77 2r9yA1 HIS 353 HB2 0.08 -0.04 -0.08 -0.04 3.26 3.19 2r9yA1 HIS 353 HB3 0.07 -0.02 0.11 -0.04 3.20 3.31 2r9yA1 HIS 353 HD2 0.02 -0.01 -0.13 -0.04 6.97 6.81 2r9yA1 HIS 353 HE1 -0.03 0.01 -0.09 -0.04 7.75 7.59 2r9yA1 GLN 354 H -0.14 0.60 0.46 -0.55 8.47 8.84 2r9yA1 GLN 354 HA -0.16 0.38 1.16 -0.75 4.36 4.99 2r9yA1 GLN 354 HB2 0.39 -0.06 -0.04 -0.04 2.15 2.40 2r9yA1 GLN 354 HB3 0.21 -0.11 0.13 -0.04 2.02 2.21 2r9yA1 GLN 354 HG2 0.04 0.15 -0.07 -0.04 2.40 2.47 2r9yA1 GLN 354 HG3 0.05 -0.07 -0.04 -0.04 2.39 2.28 2r9yA1 GLN 354 HE21 0.13 0.04 -0.12 -0.04 6.97 6.98 2r9yA1 GLN 354 HE22 0.06 -0.01 -0.08 -0.04 7.69 7.62 2r9yA1 SER 355 H -0.10 0.62 0.38 -0.55 8.46 8.81 2r9yA1 SER 355 HA 0.11 0.23 1.02 -0.75 4.49 5.10 2r9yA1 SER 355 HB2 0.11 0.20 0.01 -0.04 3.95 4.23 2r9yA1 SER 355 HB3 0.38 0.02 -0.21 -0.04 3.93 4.08 2r9yA1 THR 356 H 0.16 0.75 0.39 -0.55 8.28 9.02 2r9yA1 THR 356 HA 0.04 0.30 1.10 -0.75 4.39 5.07 2r9yA1 THR 356 HB 0.17 -0.03 0.16 -0.04 4.32 4.57 2r9yA1 THR 356 HG23 0.01 0.01 -0.12 -0.04 1.22 1.08 2r9yA1 MET 357 H -0.11 0.79 0.31 -0.55 8.47 8.91 2r9yA1 MET 357 HA -0.37 0.28 1.07 -0.75 4.52 4.75 2r9yA1 MET 357 HB2 -0.31 -0.05 -0.19 -0.04 2.15 1.56 2r9yA1 MET 357 HB3 -0.13 -0.07 -0.01 -0.04 2.03 1.78 2r9yA1 MET 357 HG2 -0.21 0.15 -0.09 -0.04 2.63 2.45 2r9yA1 MET 357 HG3 -0.57 -0.05 -0.06 -0.04 2.56 1.84 2r9yA1 MET 357 HE3 -0.30 -0.01 -0.39 -0.04 2.10 1.36 2r9yA1 GLU 358 H -0.36 0.69 0.37 -0.55 8.60 8.76 2r9yA1 GLU 358 HA -0.39 0.32 1.08 -0.75 4.29 4.55 2r9yA1 GLU 358 HB2 -0.60 -0.04 -0.00 -0.04 2.09 1.40 2r9yA1 GLU 358 HB3 -0.80 -0.02 0.21 -0.04 1.99 1.34 2r9yA1 GLU 358 HG2 -0.80 -0.09 -0.17 -0.04 2.34 1.24 2r9yA1 GLU 358 HG3 -0.39 0.20 0.16 -0.04 2.34 2.27 2r9yA1 LEU 359 H -0.24 0.58 0.39 -0.55 8.37 8.55 2r9yA1 LEU 359 HA -0.16 0.15 0.93 -0.75 4.35 4.51 2r9yA1 LEU 359 HB2 -0.21 -0.08 0.20 -0.04 1.64 1.51 2r9yA1 LEU 359 HB3 -0.13 0.10 0.01 -0.04 1.64 1.58 2r9yA1 LEU 359 HG -0.56 -0.05 -0.11 -0.04 1.64 0.88 2r9yA1 LEU 359 HD13 -0.50 0.04 -0.08 -0.04 0.93 0.35 2r9yA1 LEU 359 HD23 -0.41 0.02 -0.00 -0.04 0.89 0.46 2r9yA1 SER 360 H 0.02 0.28 0.16 -0.55 8.46 8.38 2r9yA1 SER 360 HA -0.00 0.14 0.64 -0.75 4.49 4.52 2r9yA1 SER 360 HB2 0.03 -0.08 0.21 -0.04 3.95 4.07 2r9yA1 SER 360 HB3 -0.08 0.09 -0.14 -0.04 3.93 3.76 2r9yA1 GLU 361 H 0.10 0.13 0.16 -0.55 8.60 8.44 2r9yA1 GLU 361 HA 0.41 0.11 0.47 -0.75 4.29 4.52 2r9yA1 GLU 361 HB2 0.13 -0.02 0.10 -0.04 2.09 2.26 2r9yA1 GLU 361 HB3 0.22 0.32 0.09 -0.04 1.99 2.59 2r9yA1 GLU 361 HG2 0.09 -0.04 -0.20 -0.04 2.34 2.16 2r9yA1 GLU 361 HG3 0.04 0.01 -0.08 -0.04 2.34 2.27 2r9yA1 ALA 362 H 0.09 -0.01 -0.17 -0.55 8.40 7.76 2r9yA1 ALA 362 HA 0.12 0.02 0.30 -0.75 4.34 4.02 2r9yA1 ALA 362 HB3 -0.26 0.03 0.09 -0.04 1.41 1.23 2r9yA1 GLY 363 H 0.22 0.27 0.27 -0.55 8.43 8.64 2r9yA1 GLY 363 HA2 0.34 -0.00 0.48 -0.51 4.01 4.32 2r9yA1 GLY 363 HA3 0.36 0.03 0.24 -0.51 4.01 4.13 2r9yA1 VAL 364 H 0.20 0.55 0.08 -0.55 8.24 8.53 2r9yA1 VAL 364 HA 0.08 0.10 0.58 -0.75 4.13 4.14 2r9yA1 VAL 364 HB 0.03 -0.04 0.04 -0.04 2.12 2.11 2r9yA1 VAL 364 HG13 0.10 0.08 0.23 -0.04 0.97 1.34 2r9yA1 VAL 364 HG23 0.01 -0.02 -0.07 -0.04 0.95 0.83 2r9yA1 GLU 365 H 0.07 0.50 0.24 -0.55 8.60 8.86 2r9yA1 GLU 365 HA 0.01 0.02 0.54 -0.75 4.29 4.10 2r9yA1 GLU 365 HB2 -0.01 0.22 0.22 -0.04 2.09 2.48 2r9yA1 GLU 365 HB3 -0.03 -0.09 -0.01 -0.04 1.99 1.83 2r9yA1 GLU 365 HG2 -0.00 -0.04 0.05 -0.04 2.34 2.31 2r9yA1 GLU 365 HG3 0.02 -0.02 0.10 -0.04 2.34 2.41 2r9yA1 ALA 366 H -0.01 0.07 0.19 -0.55 8.40 8.11 2r9yA1 ALA 366 HA -0.01 0.18 0.78 -0.75 4.34 4.54 2r9yA1 ALA 366 HB3 -0.01 -0.01 0.11 -0.04 1.41 1.46 2r9yA1 ALA 367 H -0.03 0.11 0.06 -0.55 8.40 7.99 2r9yA1 ALA 367 HA -0.08 0.31 0.69 -0.75 4.34 4.51 2r9yA1 ALA 367 HB3 -0.04 0.02 0.02 -0.04 1.41 1.37 2r9yA1 MET 377 HA 0.03 -0.10 0.18 -0.75 4.52 3.88 2r9yA1 MET 377 HB2 0.02 0.01 -0.01 -0.04 2.15 2.13 2r9yA1 MET 377 HB3 0.03 -0.00 0.04 -0.04 2.03 2.05 2r9yA1 SER 378 H 0.04 0.01 0.08 -0.55 8.46 8.05 2r9yA1 SER 378 HA 0.05 0.02 0.38 -0.75 4.49 4.19 2r9yA1 SER 378 HB2 0.06 -0.06 0.11 -0.04 3.95 4.01 2r9yA1 SER 378 HB3 0.08 0.16 -0.01 -0.04 3.93 4.11 2r9yA1 LEU 379 H 0.07 0.06 0.19 -0.55 8.37 8.15 2r9yA1 LEU 379 HA 0.08 0.14 0.71 -0.75 4.35 4.53 2r9yA1 LEU 379 HB2 0.08 -0.05 0.14 -0.04 1.64 1.76 2r9yA1 LEU 379 HB3 0.10 0.06 0.10 -0.04 1.64 1.87 2r9yA1 LEU 379 HG 0.06 0.25 -0.17 -0.04 1.64 1.74 2r9yA1 LEU 379 HD13 0.04 -0.00 -0.05 -0.04 0.93 0.88 2r9yA1 LEU 379 HD23 0.02 -0.02 -0.06 -0.04 0.89 0.79 2r9yA1 SER 380 H 0.16 0.17 0.21 -0.55 8.46 8.46 2r9yA1 SER 380 HA 0.20 0.10 0.69 -0.75 4.49 4.73 2r9yA1 SER 380 HB2 0.39 0.04 0.04 -0.04 3.95 4.38 2r9yA1 SER 380 HB3 0.38 -0.00 0.09 -0.04 3.93 4.35 2r9yA1 SER 381 H 0.33 0.15 0.16 -0.55 8.46 8.55 2r9yA1 SER 381 HA 0.27 0.33 0.95 -0.75 4.49 5.28 2r9yA1 SER 381 HB2 0.23 -0.05 0.08 -0.04 3.95 4.17 2r9yA1 SER 381 HB3 0.41 0.02 -0.15 -0.04 3.93 4.17 2r9yA1 PHE 382 H 0.08 0.83 0.27 -0.55 8.34 8.96 2r9yA1 PHE 382 HA -0.51 0.12 0.84 -0.75 4.62 4.32 2r9yA1 PHE 382 HB2 -1.97 0.00 -0.07 -0.04 3.15 1.07 2r9yA1 PHE 382 HB3 -0.54 0.01 0.10 -0.04 3.06 2.60 2r9yA1 PHE 382 HD2 -0.47 0.01 -0.09 -0.04 7.28 6.69 2r9yA1 PHE 382 HE2 0.06 0.01 -0.15 -0.04 7.38 7.25 2r9yA1 PHE 382 HZ -0.10 0.00 -0.18 -0.04 7.32 7.00 2r9yA1 THR 383 H -0.34 0.25 -0.00 -0.55 8.28 7.63 2r9yA1 THR 383 HA -0.01 0.17 0.89 -0.75 4.39 4.67 2r9yA1 THR 383 HB -0.16 -0.01 0.10 -0.04 4.32 4.20 2r9yA1 THR 383 HG23 -0.24 0.01 -0.17 -0.04 1.22 0.78 2r9yA1 VAL 384 H -0.31 0.79 0.20 -0.55 8.24 8.37 2r9yA1 VAL 384 HA -0.36 0.08 0.70 -0.75 4.13 3.79 2r9yA1 VAL 384 HB -0.24 0.02 0.31 -0.04 2.12 2.17 2r9yA1 VAL 384 HG13 -0.47 0.00 -0.04 -0.04 0.97 0.43 2r9yA1 VAL 384 HG23 -0.58 -0.00 -0.06 -0.04 0.95 0.26 2r9yA1 ASN 385 H -0.16 0.34 0.04 -0.55 8.53 8.20 2r9yA1 ASN 385 HA -0.08 0.17 0.77 -0.75 4.76 4.86 2r9yA1 ASN 385 HB2 0.01 0.12 0.23 -0.04 2.88 3.19 2r9yA1 ASN 385 HB3 -0.04 -0.03 -0.27 -0.04 2.79 2.40 2r9yA1 ASN 385 HD21 -0.02 -0.03 -0.05 -0.04 7.03 6.89 2r9yA1 ASN 385 HD22 0.07 0.03 -0.02 -0.04 7.74 7.78 2r9yA1 ARG 386 H -0.15 0.19 0.07 -0.55 8.46 8.02 2r9yA1 ARG 386 HA -0.17 0.24 0.79 -0.75 4.34 4.44 2r9yA1 ARG 386 HB2 -0.05 -0.05 0.04 -0.04 1.90 1.80 2r9yA1 ARG 386 HB3 -0.10 0.17 0.05 -0.04 1.80 1.87 2r9yA1 ARG 386 HG2 -0.17 0.04 -0.05 -0.04 1.67 1.44 2r9yA1 ARG 386 HG3 -0.15 -0.13 -0.16 -0.04 1.67 1.19 2r9yA1 ARG 386 HD2 -0.34 0.17 -0.07 -0.04 3.22 2.94 2r9yA1 ARG 386 HD3 -0.36 -0.07 -0.09 -0.04 3.22 2.66 2r9yA1 PRO 387 HA 0.59 0.12 0.55 -0.51 4.44 5.20 2r9yA1 PRO 387 HB2 0.43 -0.02 0.09 -0.04 2.28 2.74 2r9yA1 PRO 387 HB3 0.20 -0.03 0.28 -0.04 2.02 2.43 2r9yA1 PRO 387 HG2 0.30 0.01 0.21 -0.04 2.03 2.51 2r9yA1 PRO 387 HG3 0.33 0.14 0.25 -0.04 2.03 2.70 2r9yA1 PRO 387 HD2 0.25 0.01 0.20 -0.04 3.68 4.11 2r9yA1 PRO 387 HD3 0.34 0.44 0.26 -0.04 3.65 4.65 2r9yA1 PHE 388 H 0.27 0.58 0.43 -0.55 8.34 9.06 2r9yA1 PHE 388 HA 0.23 0.16 0.76 -0.75 4.62 5.02 2r9yA1 PHE 388 HB2 0.15 -0.03 -0.07 -0.04 3.15 3.16 2r9yA1 PHE 388 HB3 0.19 0.17 -0.31 -0.04 3.06 3.08 2r9yA1 PHE 388 HD2 0.33 0.22 -0.28 -0.04 7.28 7.51 2r9yA1 PHE 388 HE2 0.30 -0.02 -0.19 -0.04 7.38 7.43 2r9yA1 PHE 388 HZ 0.15 -0.01 -0.14 -0.04 7.32 7.28 2r9yA1 LEU 389 H 0.28 0.77 0.42 -0.55 8.37 9.29 2r9yA1 LEU 389 HA 0.19 0.13 1.04 -0.75 4.35 4.95 2r9yA1 LEU 389 HB2 -0.00 -0.04 0.05 -0.04 1.64 1.61 2r9yA1 LEU 389 HB3 0.06 0.05 0.22 -0.04 1.64 1.93 2r9yA1 LEU 389 HG 0.24 0.09 0.12 -0.04 1.64 2.04 2r9yA1 LEU 389 HD13 0.02 -0.02 -0.02 -0.04 0.93 0.87 2r9yA1 LEU 389 HD23 0.28 -0.01 -0.15 -0.04 0.89 0.97 2r9yA1 PHE 390 H -0.16 0.56 0.33 -0.55 8.34 8.52 2r9yA1 PHE 390 HA 0.06 0.38 1.05 -0.75 4.62 5.36 2r9yA1 PHE 390 HB2 -0.53 0.04 -0.06 -0.04 3.15 2.56 2r9yA1 PHE 390 HB3 0.21 -0.01 -0.18 -0.04 3.06 3.04 2r9yA1 PHE 390 HD2 0.07 0.02 -0.41 -0.04 7.28 6.92 2r9yA1 PHE 390 HE2 0.02 0.00 -0.26 -0.04 7.38 7.10 2r9yA1 PHE 390 HZ 0.02 -0.01 -0.16 -0.04 7.32 7.14 2r9yA1 PHE 391 H 0.21 0.65 0.34 -0.55 8.34 8.99 2r9yA1 PHE 391 HA -0.05 0.24 0.95 -0.75 4.62 5.00 2r9yA1 PHE 391 HB2 -0.03 0.03 0.13 -0.04 3.15 3.24 2r9yA1 PHE 391 HB3 0.01 -0.01 -0.05 -0.04 3.06 2.97 2r9yA1 PHE 391 HD2 -0.04 -0.01 -0.15 -0.04 7.28 7.03 2r9yA1 PHE 391 HE2 -0.04 -0.01 -0.09 -0.04 7.38 7.20 2r9yA1 PHE 391 HZ 0.01 -0.01 -0.07 -0.04 7.32 7.21 2r9yA1 ILE 392 H 0.22 0.59 0.27 -0.55 8.25 8.78 2r9yA1 ILE 392 HA 0.34 0.38 1.13 -0.75 4.18 5.27 2r9yA1 ILE 392 HB 0.17 -0.15 0.21 -0.04 1.89 2.07 2r9yA1 ILE 392 HG12 0.48 0.05 0.00 -0.04 1.49 1.98 2r9yA1 ILE 392 HG13 0.44 -0.04 -0.19 -0.04 1.21 1.38 2r9yA1 ILE 392 HG23 -0.03 0.01 -0.15 -0.04 0.93 0.72 2r9yA1 ILE 392 HD13 -0.83 -0.00 -0.11 -0.04 0.88 -0.11 2r9yA1 MET 393 H 0.32 0.56 0.25 -0.55 8.47 9.05 2r9yA1 MET 393 HA 0.25 0.11 0.93 -0.75 4.52 5.06 2r9yA1 MET 393 HB2 0.31 -0.05 -0.08 -0.04 2.15 2.29 2r9yA1 MET 393 HB3 0.27 0.08 -0.18 -0.04 2.03 2.15 2r9yA1 MET 393 HG2 0.23 -0.09 -0.23 -0.04 2.63 2.50 2r9yA1 MET 393 HG3 0.20 0.24 -0.09 -0.04 2.56 2.87 2r9yA1 MET 393 HE3 0.07 0.02 -0.32 -0.04 2.10 1.83 2r9yA1 GLU 394 H 0.28 0.73 0.29 -0.55 8.60 9.35 2r9yA1 GLU 394 HA 0.29 0.30 1.11 -0.75 4.29 5.24 2r9yA1 GLU 394 HB2 0.24 0.17 0.22 -0.04 2.09 2.68 2r9yA1 GLU 394 HB3 0.36 0.03 0.17 -0.04 1.99 2.51 2r9yA1 GLU 394 HG2 0.59 0.09 0.05 -0.04 2.34 3.04 2r9yA1 GLU 394 HG3 0.36 -0.31 0.14 -0.04 2.34 2.49 2r9yA1 ASP 395 H 0.29 0.89 0.23 -0.55 8.40 9.26 2r9yA1 ASP 395 HA 0.45 0.09 0.15 -0.75 4.63 4.56 2r9yA1 ASP 395 HB2 0.29 0.01 -0.10 -0.04 2.71 2.87 2r9yA1 ASP 395 HB3 0.38 0.01 -0.06 -0.04 2.70 2.99 2r9yA1 THR 396 H 0.26 0.14 -0.02 -0.55 8.28 8.12 2r9yA1 THR 396 HA 0.27 0.11 0.51 -0.75 4.39 4.53 2r9yA1 THR 396 HB 0.19 -0.02 0.12 -0.04 4.32 4.57 2r9yA1 THR 396 HG23 0.15 0.01 -0.11 -0.04 1.22 1.22 2r9yA1 ILE 397 H 0.22 -0.05 -0.15 -0.55 8.25 7.72 2r9yA1 ILE 397 HA 0.09 0.28 0.94 -0.75 4.18 4.74 2r9yA1 ILE 397 HB 0.03 -0.00 -0.05 -0.04 1.89 1.83 2r9yA1 ILE 397 HG12 0.32 -0.01 -0.03 -0.04 1.49 1.73 2r9yA1 ILE 397 HG13 0.15 -0.10 -0.13 -0.04 1.21 1.09 2r9yA1 ILE 397 HG23 0.14 -0.00 -0.21 -0.04 0.93 0.82 2r9yA1 ILE 397 HD13 0.19 0.02 -0.07 -0.04 0.88 0.98 2r9yA1 GLY 398 H 0.07 0.16 0.09 -0.55 8.43 8.20 2r9yA1 GLY 398 HA2 -0.25 0.08 0.19 -0.51 4.01 3.52 2r9yA1 GLY 398 HA3 -0.60 0.14 0.48 -0.51 4.01 3.52 2r9yA1 VAL 399 H 0.12 -0.02 0.08 -0.55 8.24 7.87 2r9yA1 VAL 399 HA 0.07 0.21 0.62 -0.75 4.13 4.28 2r9yA1 VAL 399 HB 0.12 -0.07 0.08 -0.04 2.12 2.21 2r9yA1 VAL 399 HG13 -0.19 0.03 -0.17 -0.04 0.97 0.60 2r9yA1 VAL 399 HG23 -0.36 -0.01 -0.14 -0.04 0.95 0.40 2r9yA1 PRO 400 HA 0.19 0.09 0.74 -0.51 4.44 4.95 2r9yA1 PRO 400 HB2 0.12 -0.02 -0.09 -0.04 2.28 2.25 2r9yA1 PRO 400 HB3 0.25 0.05 0.04 -0.04 2.02 2.31 2r9yA1 PRO 400 HG2 0.06 0.04 -0.02 -0.04 2.03 2.07 2r9yA1 PRO 400 HG3 0.03 0.04 0.04 -0.04 2.03 2.10 2r9yA1 PRO 400 HD2 0.06 0.02 0.10 -0.04 3.68 3.82 2r9yA1 PRO 400 HD3 0.06 0.34 0.23 -0.04 3.65 4.24 2r9yA1 LEU 401 H 0.20 0.83 0.47 -0.55 8.37 9.32 2r9yA1 LEU 401 HA 0.12 0.06 0.66 -0.75 4.35 4.42 2r9yA1 LEU 401 HB2 0.29 0.06 0.05 -0.04 1.64 1.99 2r9yA1 LEU 401 HB3 0.28 -0.05 -0.02 -0.04 1.64 1.81 2r9yA1 LEU 401 HG 0.29 0.02 -0.09 -0.04 1.64 1.82 2r9yA1 LEU 401 HD13 0.30 0.01 -0.15 -0.04 0.93 1.04 2r9yA1 LEU 401 HD23 0.39 -0.00 -0.12 -0.04 0.89 1.12 2r9yA1 PHE 402 H 0.20 0.36 0.34 -0.55 8.34 8.69 2r9yA1 PHE 402 HA -0.08 0.21 0.98 -0.75 4.62 4.98 2r9yA1 PHE 402 HB2 -0.04 -0.09 0.06 -0.04 3.15 3.04 2r9yA1 PHE 402 HB3 0.03 0.05 -0.08 -0.04 3.06 3.03 2r9yA1 PHE 402 HD2 -0.06 -0.04 -0.26 -0.04 7.28 6.89 2r9yA1 PHE 402 HE2 0.13 -0.02 -0.18 -0.04 7.38 7.27 2r9yA1 PHE 402 HZ 0.13 -0.00 -0.28 -0.04 7.32 7.13 2r9yA1 VAL 403 H -0.29 0.69 0.39 -0.55 8.24 8.48 2r9yA1 VAL 403 HA -0.82 0.31 0.83 -0.75 4.13 3.70 2r9yA1 VAL 403 HB -1.57 0.05 0.11 -0.04 2.12 0.67 2r9yA1 VAL 403 HG13 -0.92 -0.01 -0.07 -0.04 0.97 -0.06 2r9yA1 VAL 403 HG23 -0.80 -0.03 -0.05 -0.04 0.95 0.03 2r9yA1 GLY 404 H -1.26 0.62 0.38 -0.55 8.43 7.62 2r9yA1 GLY 404 HA2 -0.59 -0.01 0.34 -0.51 4.01 3.23 2r9yA1 GLY 404 HA3 -0.85 0.11 0.46 -0.51 4.01 3.22 2r9yA1 SER 405 H 0.02 0.58 0.37 -0.55 8.46 8.88 2r9yA1 SER 405 HA 0.15 0.22 1.04 -0.75 4.49 5.14 2r9yA1 SER 405 HB2 0.33 -0.03 -0.12 -0.04 3.95 4.08 2r9yA1 SER 405 HB3 0.15 -0.07 0.14 -0.04 3.93 4.10 2r9yA1 VAL 406 H -0.14 1.04 0.39 -0.55 8.24 8.98 2r9yA1 VAL 406 HA -0.06 0.06 1.06 -0.75 4.13 4.43 2r9yA1 VAL 406 HB -1.24 0.06 0.10 -0.04 2.12 1.00 2r9yA1 VAL 406 HG13 -0.16 0.01 -0.26 -0.04 0.97 0.52 2r9yA1 VAL 406 HG23 -0.07 -0.01 -0.20 -0.04 0.95 0.64 2r9yA1 ARG 407 H -0.02 0.14 0.10 -0.55 8.46 8.13 2r9yA1 ARG 407 HA 0.14 0.18 0.93 -0.75 4.34 4.84 2r9yA1 ARG 407 HB2 -0.05 0.09 0.10 -0.04 1.90 2.00 2r9yA1 ARG 407 HB3 -0.02 -0.01 0.07 -0.04 1.80 1.80 2r9yA1 ARG 407 HG2 -0.03 -0.01 0.15 -0.04 1.67 1.75 2r9yA1 ARG 407 HG3 -0.07 0.02 0.19 -0.04 1.67 1.77 2r9yA1 ARG 407 HD2 -0.14 0.08 0.08 -0.04 3.22 3.20 2r9yA1 ARG 407 HD3 -0.18 -0.03 0.09 -0.04 3.22 3.05 2r9yA1 ASN 408 H -0.06 -0.02 -0.07 -0.55 8.53 7.84 2r9yA1 ASN 408 HA -0.11 0.21 0.51 -0.75 4.76 4.62 2r9yA1 ASN 408 HB2 0.01 0.16 -0.23 -0.04 2.88 2.79 2r9yA1 ASN 408 HB3 -0.04 -0.08 0.02 -0.04 2.79 2.66 2r9yA1 ASN 408 HD21 -0.02 0.15 -0.16 -0.04 7.03 6.96 2r9yA1 ASN 408 HD22 -0.02 0.01 -0.06 -0.04 7.74 7.63 2r9yA1 PRO 409 HA -0.16 0.06 0.26 -0.51 4.44 4.08 2r9yA1 PRO 409 HB2 -0.24 0.04 -0.02 -0.04 2.28 2.03 2r9yA1 PRO 409 HB3 -0.20 0.06 0.04 -0.04 2.02 1.88 2r9yA1 PRO 409 HG2 -1.10 0.07 -0.10 -0.04 2.03 0.87 2r9yA1 PRO 409 HG3 -1.07 0.07 -0.14 -0.04 2.03 0.85 2r9yA1 PRO 409 HD2 -0.55 0.10 -0.05 -0.04 3.68 3.14 2r9yA1 PRO 409 HD3 -1.25 0.21 -0.09 -0.04 3.65 2.48 2r9yA1 ASN 410 H -0.13 0.04 -0.75 -0.55 8.53 7.15 2r9yA1 ASN 410 HA -0.06 0.16 0.73 -0.75 4.76 4.83 2r9yA1 ASN 410 HB2 -0.07 0.07 -0.17 -0.04 2.88 2.67 2r9yA1 ASN 410 HB3 -0.05 -0.01 0.10 -0.04 2.79 2.80 2r9yA1 ASN 410 HD21 -0.03 -0.07 0.04 -0.04 7.03 6.93 2r9yA1 ASN 410 HD22 -0.03 0.44 0.16 -0.04 7.74 8.28 2r9yA1 PRO 411 HA -0.04 0.08 0.28 -0.51 4.44 4.25 2r9yA1 PRO 411 HB2 -0.04 0.02 0.03 -0.04 2.28 2.25 2r9yA1 PRO 411 HB3 -0.03 -0.00 0.14 -0.04 2.02 2.08 2r9yA1 PRO 411 HG2 -0.03 0.02 0.11 -0.04 2.03 2.09 2r9yA1 PRO 411 HG3 -0.04 0.09 0.14 -0.04 2.03 2.17 2r9yA1 PRO 411 HD2 -0.05 0.10 0.10 -0.04 3.68 3.79 2r9yA1 PRO 411 HD3 -0.06 0.23 -0.15 -0.04 3.65 3.62 2r9yA1 SER 412 H -0.04 0.03 -0.43 -0.55 8.46 7.48 2r9yA1 SER 412 HA -0.03 0.10 0.53 -0.75 4.49 4.34 2r9yA1 SER 412 HB2 -0.04 -0.02 0.01 -0.04 3.95 3.87 2r9yA1 SER 412 HB3 -0.03 -0.02 0.00 -0.04 3.93 3.85 2r9yA1 ALA 413 H -0.02 0.45 -0.07 -0.55 8.40 8.21 2r9yA1 ALA 413 HA -0.01 -0.03 0.37 -0.75 4.34 3.92 2r9yA1 ALA 413 HB3 -0.00 0.00 0.10 -0.04 1.41 1.47 2r9yA1 LEU 414 H 0.00 0.04 0.18 -0.55 8.37 8.05 2r9yA1 LEU 414 HA -0.00 0.15 0.70 -0.75 4.35 4.44 2r9yA1 LEU 414 HB2 0.01 -0.08 0.22 -0.04 1.64 1.74 2r9yA1 LEU 414 HB3 0.02 0.01 0.09 -0.04 1.64 1.72 2r9yA1 LEU 414 HG -0.00 -0.01 0.08 -0.04 1.64 1.66 2r9yA1 LEU 414 HD13 0.01 -0.02 0.04 -0.04 0.93 0.91 2r9yA1 LEU 414 HD23 0.00 0.04 0.07 -0.04 0.89 0.97 2r9yA1 PRO 415 HA 0.08 0.21 0.65 -0.51 4.44 4.87 2r9yA1 PRO 415 HB2 0.05 -0.07 -0.05 -0.04 2.28 2.17 2r9yA1 PRO 415 HB3 0.08 0.00 0.03 -0.04 2.02 2.09 2r9yA1 PRO 415 HG2 -0.09 -0.03 0.06 -0.04 2.03 1.93 2r9yA1 PRO 415 HG3 -0.01 0.07 0.04 -0.04 2.03 2.09 2r9yA1 PRO 415 HD2 -0.02 -0.01 0.23 -0.04 3.68 3.84 2r9yA1 PRO 415 HD3 -0.01 0.41 0.35 -0.04 3.65 4.35 2r9yA1 GLN 416 H 0.13 0.65 0.40 -0.55 8.47 9.11 2r9yA1 GLN 416 HA 0.09 0.15 0.88 -0.75 4.36 4.73 2r9yA1 GLN 416 HB2 0.07 -0.08 0.01 -0.04 2.15 2.10 2r9yA1 GLN 416 HB3 0.03 0.02 -0.08 -0.04 2.02 1.95 2r9yA1 GLN 416 HG2 0.07 0.06 -0.10 -0.04 2.40 2.39 2r9yA1 GLN 416 HG3 0.11 0.07 -0.09 -0.04 2.39 2.43 2r9yA1 GLN 416 HE21 0.12 -0.03 -0.07 -0.04 6.97 6.95 2r9yA1 GLN 416 HE22 0.08 0.03 -0.06 -0.04 7.69 7.70 2r9yA1 LEU 417 H 0.01 0.16 0.12 -0.55 8.37 8.12 2r9yA1 LEU 417 HA -0.54 0.21 0.80 -0.75 4.35 4.07 2r9yA1 LEU 417 HB2 -0.13 -0.04 0.08 -0.04 1.64 1.51 2r9yA1 LEU 417 HB3 -0.10 -0.05 0.19 -0.04 1.64 1.63 2r9yA1 LEU 417 HG -0.23 0.12 -0.11 -0.04 1.64 1.39 2r9yA1 LEU 417 HD13 -0.73 0.04 0.02 -0.04 0.93 0.22 2r9yA1 LEU 417 HD23 -0.08 -0.02 -0.00 -0.04 0.89 0.74 2r9yA1 GLN 418 H -0.28 0.56 0.31 -0.55 8.47 8.51 2r9yA1 GLN 418 HA -0.18 0.05 0.58 -0.75 4.36 4.06 2r9yA1 GLN 418 HB2 -0.23 -0.10 0.05 -0.04 2.15 1.83 2r9yA1 GLN 418 HB3 -0.34 -0.02 -0.01 -0.04 2.02 1.61 2r9yA1 GLN 418 HG2 -0.17 0.01 -0.19 -0.04 2.40 2.01 2r9yA1 GLN 418 HG3 -0.16 0.03 0.00 -0.04 2.39 2.22 2r9yA1 GLN 418 HE21 0.05 -0.05 -0.02 -0.04 6.97 6.91 2r9yA1 GLN 418 HE22 0.01 0.29 -0.01 -0.04 7.69 7.94 2r9yA1 GLU 419 H -0.12 0.10 0.06 -0.55 8.60 8.09 2r9yA1 GLU 419 HA -0.09 0.15 0.42 -0.75 4.29 4.03 2r9yA1 GLU 419 HB2 -0.07 -0.01 0.10 -0.04 2.09 2.08 2r9yA1 GLU 419 HB3 -0.05 0.01 0.07 -0.04 1.99 1.98 2r9yA1 GLU 419 HG2 -0.04 -0.01 0.03 -0.04 2.34 2.28 2r9yA1 GLU 419 HG3 -0.05 0.04 0.01 -0.04 2.34 2.29