============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 1 0.840 16.095 24.939 88.343 -99.200 -91.000 PHE 20 1.000 17.320 19.653 58.495 -99.200 -91.000 TRP 29 1.040 22.044 17.557 58.149 -99.200 -91.000 TRP6 29 1.020 23.144 18.557 56.265 -99.200 -91.000 HIS 36 0.900 32.248 13.440 56.138 -99.200 -91.000 HIS 46 0.900 21.888 22.761 55.836 -99.200 -91.000 TRP 59 1.040 2.079 26.031 46.930 -99.200 -91.000 TRP6 59 1.020 0.486 24.663 48.083 -99.200 -91.000 TYR 88 0.840 22.124 15.184 44.780 -99.200 -91.000 TRP 121 1.040 15.002 -8.643 77.080 -99.200 -91.000 TRP6 121 1.020 12.723 -9.384 77.096 -99.200 -91.000 HIS 122 0.900 18.919 -6.075 75.622 -99.200 -91.000 PHE 130 1.000 17.315 -15.821 85.466 -99.200 -91.000 TRP 139 1.040 9.212 -7.287 79.921 -99.200 -91.000 TRP6 139 1.020 11.258 -6.553 80.931 -99.200 -91.000 PHE 142 1.000 11.048 -4.498 84.814 -99.200 -91.000 HIS 144 0.900 2.255 -9.190 87.482 -99.200 -91.000 HIS 145 0.900 6.417 -2.791 91.045 -99.200 -91.000 HIS 150 0.900 -0.123 4.002 84.489 -99.200 -91.000 TYR 152 0.840 -0.790 1.536 95.150 -99.200 -91.000 HIS 166 0.900 -17.128 25.012 94.046 -99.200 -91.000 HIS 184 0.900 -3.037 6.837 112.124 -99.200 -91.000 HIS 187 0.900 -0.798 11.934 105.116 -99.200 -91.000 HIS 209 0.900 24.059 -4.365 89.504 -99.200 -91.000 TYR 212 0.840 25.427 -14.725 87.386 -99.200 -91.000 PHE 218 1.000 15.989 -26.463 98.933 -99.200 -91.000 TRP 227 1.040 6.184 -22.515 105.962 -99.200 -91.000 TRP6 227 1.020 7.370 -24.514 105.384 -99.200 -91.000 PHE 243 1.000 2.049 -24.331 112.699 -99.200 -91.000 HIS 249 0.900 7.583 -35.768 113.451 -99.200 -91.000 PHE 250 1.000 7.196 -31.208 106.843 -99.200 -91.000 HIS 257 0.900 19.786 -32.298 104.769 -99.200 -91.000 HIS 259 0.900 24.693 -33.848 114.149 -99.200 -91.000 TYR 260 0.840 22.204 -37.381 110.312 -99.200 -91.000 HIS 268 0.900 35.359 -36.286 100.752 -99.200 -91.000 HIS 273 0.900 44.237 -36.356 106.579 -99.200 -91.000 HIS 290 0.900 31.411 -39.830 100.946 -99.200 -91.000 TYR 302 0.840 12.153 -34.886 95.597 -99.200 -91.000 HIS 307 0.900 7.428 -32.928 102.725 -99.200 -91.000 HIS 320 0.900 -12.762 -20.304 109.094 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2p01A5 TYR 1 HA 0.00 -0.06 0.22 -0.75 4.56 3.97 2p01A5 TYR 1 HB2 0.00 -0.02 0.03 -0.04 3.06 3.03 2p01A5 TYR 1 HB3 0.00 0.00 0.04 -0.04 2.98 2.99 2p01A5 TYR 1 HD2 0.00 -0.01 0.08 -0.04 7.15 7.19 2p01A5 TYR 1 HE2 0.00 -0.00 0.03 -0.04 6.85 6.83 2p01A5 SER 2 H 0.05 0.26 0.13 -0.55 8.46 8.36 2p01A5 SER 2 HA 0.07 0.09 0.62 -0.75 4.49 4.52 2p01A5 SER 2 HB2 0.03 -0.07 0.08 -0.04 3.95 3.94 2p01A5 SER 2 HB3 0.03 0.15 -0.22 -0.04 3.93 3.85 2p01A5 ARG 3 H 0.03 0.17 0.12 -0.55 8.46 8.23 2p01A5 ARG 3 HA 0.02 0.03 0.26 -0.75 4.34 3.90 2p01A5 ARG 3 HB2 0.01 0.08 -0.22 -0.04 1.90 1.73 2p01A5 ARG 3 HB3 0.01 0.03 0.14 -0.04 1.80 1.94 2p01A5 ARG 3 HG2 0.01 0.01 0.05 -0.04 1.67 1.70 2p01A5 ARG 3 HG3 0.02 -0.05 0.01 -0.04 1.67 1.61 2p01A5 ARG 3 HD2 0.01 0.02 -0.01 -0.04 3.22 3.20 2p01A5 ARG 3 HD3 0.01 -0.01 -0.01 -0.04 3.22 3.17 2p01A5 GLU 4 H 0.04 -0.08 -0.85 -0.55 8.60 7.16 2p01A5 GLU 4 HA 0.02 0.11 0.46 -0.75 4.29 4.14 2p01A5 GLU 4 HB2 0.03 0.01 0.02 -0.04 2.09 2.10 2p01A5 GLU 4 HB3 0.05 -0.03 0.00 -0.04 1.99 1.97 2p01A5 GLU 4 HG2 0.03 -0.10 -0.04 -0.04 2.34 2.20 2p01A5 GLU 4 HG3 0.02 0.07 -0.21 -0.04 2.34 2.19 2p01A5 LYS 5 H 0.02 0.10 -0.16 -0.55 8.42 7.83 2p01A5 LYS 5 HA 0.01 0.11 0.44 -0.75 4.32 4.13 2p01A5 LYS 5 HB2 0.01 0.04 -0.39 -0.04 1.87 1.49 2p01A5 LYS 5 HB3 0.01 0.02 -0.18 -0.04 1.79 1.60 2p01A5 LYS 5 HG2 0.01 0.01 0.07 -0.04 1.46 1.51 2p01A5 LYS 5 HG3 0.01 0.04 0.14 -0.04 1.46 1.61 2p01A5 LYS 5 HD2 0.01 0.00 -0.03 -0.04 1.69 1.63 2p01A5 LYS 5 HD3 0.01 0.01 -0.04 -0.04 1.68 1.61 2p01A5 LYS 5 HE2 0.01 0.00 0.03 -0.04 2.99 2.99 2p01A5 LYS 5 HE3 0.01 -0.02 0.00 -0.04 2.99 2.93 2p01A5 ASN 6 H 0.01 0.14 0.08 -0.55 8.53 8.21 2p01A5 ASN 6 HA 0.01 0.02 0.45 -0.75 4.76 4.48 2p01A5 ASN 6 HB2 0.01 0.01 0.11 -0.04 2.88 2.96 2p01A5 ASN 6 HB3 0.01 0.02 -0.02 -0.04 2.79 2.75 2p01A5 ASN 6 HD21 0.01 0.01 -0.00 -0.04 7.03 7.00 2p01A5 ASN 6 HD22 0.01 0.02 -0.02 -0.04 7.74 7.71 2p01A5 GLN 7 H 0.01 0.15 0.16 -0.55 8.47 8.25 2p01A5 GLN 7 HA 0.01 0.18 0.80 -0.75 4.36 4.60 2p01A5 GLN 7 HB2 0.01 -0.08 0.03 -0.04 2.15 2.07 2p01A5 GLN 7 HB3 0.00 0.12 -0.07 -0.04 2.02 2.04 2p01A5 GLN 7 HG2 0.00 0.02 -0.05 -0.04 2.40 2.33 2p01A5 GLN 7 HG3 0.01 0.03 -0.72 -0.04 2.39 1.67 2p01A5 GLN 7 HE21 0.00 0.01 -0.06 -0.04 6.97 6.88 2p01A5 GLN 7 HE22 0.00 -0.03 -0.06 -0.04 7.69 7.56 2p01A5 PRO 8 HA 0.00 0.02 0.44 -0.51 4.44 4.40 2p01A5 PRO 8 HB2 0.00 0.04 -0.01 -0.04 2.28 2.27 2p01A5 PRO 8 HB3 0.00 0.00 0.07 -0.04 2.02 2.06 2p01A5 PRO 8 HG2 0.00 0.06 0.03 -0.04 2.03 2.08 2p01A5 PRO 8 HG3 0.00 0.03 0.04 -0.04 2.03 2.06 2p01A5 PRO 8 HD2 0.00 0.12 0.19 -0.04 3.68 3.95 2p01A5 PRO 8 HD3 0.00 0.14 0.09 -0.04 3.65 3.84 2p01A5 LYS 9 H 0.00 0.04 0.14 -0.55 8.42 8.05 2p01A5 LYS 9 HA 0.00 -0.00 0.40 -0.75 4.32 3.97 2p01A5 LYS 9 HB2 0.00 -0.09 -0.09 -0.04 1.87 1.64 2p01A5 LYS 9 HB3 0.00 0.17 0.12 -0.04 1.79 2.04 2p01A5 LYS 9 HG2 -0.00 -0.04 0.01 -0.04 1.46 1.39 2p01A5 LYS 9 HG3 0.00 0.13 -0.07 -0.04 1.46 1.48 2p01A5 LYS 9 HD2 0.00 0.01 0.05 -0.04 1.69 1.71 2p01A5 LYS 9 HD3 0.00 -0.05 0.02 -0.04 1.68 1.61 2p01A5 LYS 9 HE2 -0.00 -0.02 -0.00 -0.04 2.99 2.93 2p01A5 LYS 9 HE3 -0.00 0.04 -0.00 -0.04 2.99 2.98 2p01A5 PRO 10 HA 0.01 0.12 0.37 -0.51 4.44 4.42 2p01A5 PRO 10 HB2 0.01 -0.01 -0.00 -0.04 2.28 2.24 2p01A5 PRO 10 HB3 0.01 0.05 0.07 -0.04 2.02 2.11 2p01A5 PRO 10 HG2 0.01 0.02 0.05 -0.04 2.03 2.07 2p01A5 PRO 10 HG3 0.01 0.02 0.07 -0.04 2.03 2.09 2p01A5 PRO 10 HD2 0.01 0.06 0.21 -0.04 3.68 3.92 2p01A5 PRO 10 HD3 0.01 0.05 0.15 -0.04 3.65 3.81 2p01A5 SER 11 H 0.01 0.09 0.00 -0.55 8.46 8.01 2p01A5 SER 11 HA 0.00 0.10 0.54 -0.75 4.49 4.38 2p01A5 SER 11 HB2 -0.00 0.10 -0.02 -0.04 3.95 3.99 2p01A5 SER 11 HB3 -0.00 -0.01 -0.03 -0.04 3.93 3.85 2p01A5 PRO 12 HA 0.01 0.05 0.42 -0.51 4.44 4.41 2p01A5 PRO 12 HB2 0.02 -0.00 -0.03 -0.04 2.28 2.22 2p01A5 PRO 12 HB3 0.02 0.03 0.06 -0.04 2.02 2.09 2p01A5 PRO 12 HG2 0.01 0.04 0.03 -0.04 2.03 2.07 2p01A5 PRO 12 HG3 0.02 0.03 0.05 -0.04 2.03 2.08 2p01A5 PRO 12 HD2 0.01 0.13 0.09 -0.04 3.68 3.88 2p01A5 PRO 12 HD3 0.01 0.07 -0.04 -0.04 3.65 3.65 2p01A5 LYS 13 H 0.02 0.18 0.16 -0.55 8.42 8.22 2p01A5 LYS 13 HA 0.01 0.12 0.88 -0.75 4.32 4.58 2p01A5 LYS 13 HB2 0.00 0.12 -0.09 -0.04 1.87 1.86 2p01A5 LYS 13 HB3 0.00 -0.02 0.16 -0.04 1.79 1.90 2p01A5 LYS 13 HG2 0.00 -0.02 -0.17 -0.04 1.46 1.23 2p01A5 LYS 13 HG3 0.00 0.01 0.07 -0.04 1.46 1.50 2p01A5 LYS 13 HD2 -0.01 0.03 -0.00 -0.04 1.69 1.67 2p01A5 LYS 13 HD3 -0.01 -0.02 -0.00 -0.04 1.68 1.61 2p01A5 LYS 13 HE2 -0.00 0.01 -0.00 -0.04 2.99 2.95 2p01A5 LYS 13 HE3 -0.01 -0.01 -0.01 -0.04 2.99 2.92 2p01A5 ARG 14 H 0.01 0.22 0.14 -0.55 8.46 8.28 2p01A5 ARG 14 HA 0.02 0.17 0.50 -0.75 4.34 4.28 2p01A5 ARG 14 HB2 0.02 -0.09 0.17 -0.04 1.90 1.96 2p01A5 ARG 14 HB3 0.03 0.16 -0.19 -0.04 1.80 1.75 2p01A5 ARG 14 HG2 0.02 -0.04 -0.26 -0.04 1.67 1.35 2p01A5 ARG 14 HG3 0.02 0.01 -0.38 -0.04 1.67 1.28 2p01A5 ARG 14 HD2 0.02 0.01 -0.07 -0.04 3.22 3.15 2p01A5 ARG 14 HD3 0.02 0.02 -0.12 -0.04 3.22 3.11 2p01A5 GLU 15 H 0.02 0.16 0.08 -0.55 8.60 8.32 2p01A5 GLU 15 HA 0.02 0.14 0.40 -0.75 4.29 4.09 2p01A5 GLU 15 HB2 0.02 -0.03 0.16 -0.04 2.09 2.20 2p01A5 GLU 15 HB3 0.02 0.04 0.17 -0.04 1.99 2.17 2p01A5 GLU 15 HG2 0.02 -0.05 0.09 -0.04 2.34 2.36 2p01A5 GLU 15 HG3 0.02 0.02 0.06 -0.04 2.34 2.39 2p01A5 SER 16 H 0.02 1.06 0.09 -0.55 8.46 9.08 2p01A5 SER 16 HA 0.02 0.03 0.44 -0.75 4.49 4.22 2p01A5 SER 16 HB2 0.01 0.09 0.13 -0.04 3.95 4.15 2p01A5 SER 16 HB3 0.02 -0.05 0.00 -0.04 3.93 3.86 2p01A5 GLY 17 H 0.03 0.12 0.03 -0.55 8.43 8.07 2p01A5 GLY 17 HA2 0.04 0.22 0.78 -0.51 4.01 4.54 2p01A5 GLY 17 HA3 0.04 0.03 0.33 -0.51 4.01 3.91 2p01A5 GLU 18 H 0.03 0.27 -0.15 -0.55 8.60 8.20 2p01A5 GLU 18 HA 0.08 0.10 0.94 -0.75 4.29 4.66 2p01A5 GLU 18 HB2 0.03 0.02 0.08 -0.04 2.09 2.18 2p01A5 GLU 18 HB3 0.05 0.15 -0.01 -0.04 1.99 2.14 2p01A5 GLU 18 HG2 0.05 0.02 -0.07 -0.04 2.34 2.31 2p01A5 GLU 18 HG3 0.04 -0.17 -0.35 -0.04 2.34 1.82 2p01A5 GLU 19 H 0.15 0.15 0.08 -0.55 8.60 8.43 2p01A5 GLU 19 HA -0.10 0.22 0.73 -0.75 4.29 4.39 2p01A5 GLU 19 HB2 0.28 -0.03 0.02 -0.04 2.09 2.33 2p01A5 GLU 19 HB3 -0.20 0.02 0.07 -0.04 1.99 1.84 2p01A5 GLU 19 HG2 0.15 0.03 -0.05 -0.04 2.34 2.43 2p01A5 GLU 19 HG3 0.02 0.07 -0.13 -0.04 2.34 2.26 2p01A5 PHE 20 H 0.17 0.04 -0.06 -0.55 8.34 7.94 2p01A5 PHE 20 HA -0.04 0.25 0.76 -0.75 4.62 4.83 2p01A5 PHE 20 HB2 0.01 -0.01 -0.06 -0.04 3.15 3.06 2p01A5 PHE 20 HB3 -0.02 -0.16 0.08 -0.04 3.06 2.92 2p01A5 PHE 20 HD2 -0.03 -0.11 -0.14 -0.04 7.28 6.95 2p01A5 PHE 20 HE2 -0.42 0.01 -0.06 -0.04 7.38 6.87 2p01A5 PHE 20 HZ -0.75 0.02 -0.03 -0.04 7.32 6.52 2p01A5 ARG 21 H 0.15 0.16 0.12 -0.55 8.46 8.34 2p01A5 ARG 21 HA 0.04 0.15 0.41 -0.75 4.34 4.19 2p01A5 ARG 21 HB2 0.07 -0.07 0.12 -0.04 1.90 1.98 2p01A5 ARG 21 HB3 0.04 0.05 0.04 -0.04 1.80 1.88 2p01A5 ARG 21 HG2 0.01 0.07 0.02 -0.04 1.67 1.72 2p01A5 ARG 21 HG3 0.03 -0.02 0.07 -0.04 1.67 1.70 2p01A5 ARG 21 HD2 0.02 0.02 0.02 -0.04 3.22 3.23 2p01A5 ARG 21 HD3 0.01 0.04 0.01 -0.04 3.22 3.24 2p01A5 MET 22 H 0.12 0.03 -0.10 -0.55 8.47 7.97 2p01A5 MET 22 HA 0.05 0.30 0.91 -0.75 4.52 5.02 2p01A5 MET 22 HB2 0.02 -0.13 0.07 -0.04 2.15 2.07 2p01A5 MET 22 HB3 0.02 -0.01 0.10 -0.04 2.03 2.10 2p01A5 MET 22 HG2 0.03 0.21 -0.24 -0.04 2.63 2.59 2p01A5 MET 22 HG3 0.04 -0.05 -0.17 -0.04 2.56 2.33 2p01A5 MET 22 HE3 0.02 0.02 0.01 -0.04 2.10 2.11 2p01A5 GLU 23 H 0.04 0.28 0.14 -0.55 8.60 8.51 2p01A5 GLU 23 HA 0.06 0.11 0.39 -0.75 4.29 4.10 2p01A5 GLU 23 HB2 0.03 0.06 0.04 -0.04 2.09 2.18 2p01A5 GLU 23 HB3 0.04 0.09 0.12 -0.04 1.99 2.20 2p01A5 GLU 23 HG2 0.01 -0.08 0.02 -0.04 2.34 2.26 2p01A5 GLU 23 HG3 0.02 0.10 0.02 -0.04 2.34 2.43 2p01A5 LYS 24 H 0.00 0.08 -0.26 -0.55 8.42 7.69 2p01A5 LYS 24 HA -0.02 0.14 0.37 -0.75 4.32 4.05 2p01A5 LYS 24 HB2 -0.01 0.05 0.08 -0.04 1.87 1.95 2p01A5 LYS 24 HB3 -0.02 -0.06 0.05 -0.04 1.79 1.71 2p01A5 LYS 24 HG2 -0.05 0.01 -0.24 -0.04 1.46 1.14 2p01A5 LYS 24 HG3 -0.03 0.04 0.02 -0.04 1.46 1.45 2p01A5 LYS 24 HD2 -0.02 0.02 -0.01 -0.04 1.69 1.64 2p01A5 LYS 24 HD3 -0.03 -0.01 -0.03 -0.04 1.68 1.56 2p01A5 LYS 24 HE2 -0.04 0.00 -0.05 -0.04 2.99 2.86 2p01A5 LYS 24 HE3 -0.03 0.03 -0.02 -0.04 2.99 2.92 2p01A5 LEU 25 H -0.05 0.10 -0.22 -0.55 8.37 7.65 2p01A5 LEU 25 HA -0.23 0.10 0.39 -0.75 4.35 3.85 2p01A5 LEU 25 HB2 -0.05 -0.00 0.14 -0.04 1.64 1.68 2p01A5 LEU 25 HB3 -0.70 0.06 -0.02 -0.04 1.64 0.94 2p01A5 LEU 25 HG -0.15 0.07 0.04 -0.04 1.64 1.56 2p01A5 LEU 25 HD13 -0.05 -0.01 -0.02 -0.04 0.93 0.81 2p01A5 LEU 25 HD23 0.08 -0.00 0.05 -0.04 0.89 0.97 2p01A5 ASN 26 H -0.06 0.32 -0.33 -0.55 8.53 7.91 2p01A5 ASN 26 HA 0.02 0.03 0.37 -0.75 4.76 4.42 2p01A5 ASN 26 HB2 0.22 -0.10 0.08 -0.04 2.88 3.04 2p01A5 ASN 26 HB3 0.08 0.16 0.17 -0.04 2.79 3.16 2p01A5 ASN 26 HD21 0.13 0.01 0.07 -0.04 7.03 7.20 2p01A5 ASN 26 HD22 0.15 0.08 0.02 -0.04 7.74 7.94 2p01A5 GLN 27 H -0.02 0.53 -0.20 -0.55 8.47 8.23 2p01A5 GLN 27 HA 0.01 0.02 0.42 -0.75 4.36 4.06 2p01A5 GLN 27 HB2 -0.00 -0.01 0.13 -0.04 2.15 2.22 2p01A5 GLN 27 HB3 -0.03 0.15 0.21 -0.04 2.02 2.31 2p01A5 GLN 27 HG2 -0.02 0.01 -0.19 -0.04 2.40 2.16 2p01A5 GLN 27 HG3 -0.00 -0.02 0.04 -0.04 2.39 2.37 2p01A5 GLN 27 HE21 -0.01 0.02 -0.04 -0.04 6.97 6.90 2p01A5 GLN 27 HE22 -0.01 -0.00 -0.02 -0.04 7.69 7.62 2p01A5 LEU 28 H -0.07 0.44 -0.10 -0.55 8.37 8.10 2p01A5 LEU 28 HA -0.03 0.06 0.41 -0.75 4.35 4.04 2p01A5 LEU 28 HB2 -0.11 0.08 0.18 -0.04 1.64 1.74 2p01A5 LEU 28 HB3 -0.04 -0.01 -0.01 -0.04 1.64 1.54 2p01A5 LEU 28 HG -0.07 -0.03 0.01 -0.04 1.64 1.51 2p01A5 LEU 28 HD13 -0.04 0.01 0.01 -0.04 0.93 0.88 2p01A5 LEU 28 HD23 -0.05 0.07 0.01 -0.04 0.89 0.88 2p01A5 TRP 29 H 0.01 0.47 -0.22 -0.55 7.97 7.69 2p01A5 TRP 29 HA -0.03 0.02 0.41 -0.75 4.62 4.26 2p01A5 TRP 29 HB2 -0.34 0.01 0.09 -0.04 3.23 2.95 2p01A5 TRP 29 HB3 -0.02 0.10 0.15 -0.04 3.23 3.42 2p01A5 TRP 29 HD1 0.26 -0.01 -0.09 -0.04 7.22 7.34 2p01A5 TRP 29 HE1 0.12 0.01 -0.04 -0.04 10.20 10.24 2p01A5 TRP 29 HE3 0.11 -0.00 0.02 -0.04 7.59 7.68 2p01A5 TRP 29 HZ2 0.02 0.01 -0.02 -0.04 7.44 7.41 2p01A5 TRP 29 HZ3 0.19 -0.01 -0.02 -0.04 7.13 7.25 2p01A5 TRP 29 HH2 0.12 0.04 0.00 -0.04 7.19 7.30 2p01A5 GLU 30 H 0.09 0.64 -0.15 -0.55 8.60 8.62 2p01A5 GLU 30 HA -0.16 -0.01 0.39 -0.75 4.29 3.76 2p01A5 GLU 30 HB2 0.05 0.02 0.13 -0.04 2.09 2.25 2p01A5 GLU 30 HB3 -0.01 0.14 0.18 -0.04 1.99 2.27 2p01A5 GLU 30 HG2 -0.03 0.00 -0.17 -0.04 2.34 2.10 2p01A5 GLU 30 HG3 -0.02 -0.03 0.05 -0.04 2.34 2.30 2p01A5 LYS 31 H -0.06 0.52 -0.19 -0.55 8.42 8.14 2p01A5 LYS 31 HA -0.06 0.01 0.42 -0.75 4.32 3.94 2p01A5 LYS 31 HB2 -0.04 0.15 0.18 -0.04 1.87 2.12 2p01A5 LYS 31 HB3 -0.03 -0.02 0.02 -0.04 1.79 1.72 2p01A5 LYS 31 HG2 -0.03 -0.04 0.04 -0.04 1.46 1.39 2p01A5 LYS 31 HG3 -0.03 0.16 0.08 -0.04 1.46 1.63 2p01A5 LYS 31 HD2 -0.02 -0.03 -0.03 -0.04 1.69 1.57 2p01A5 LYS 31 HD3 -0.02 0.02 0.00 -0.04 1.68 1.65 2p01A5 LYS 31 HE2 -0.02 -0.03 -0.05 -0.04 2.99 2.85 2p01A5 LYS 31 HE3 -0.01 -0.01 -0.03 -0.04 2.99 2.89 2p01A5 ALA 32 H -0.16 0.47 -0.21 -0.55 8.40 7.96 2p01A5 ALA 32 HA -0.10 0.01 0.38 -0.75 4.34 3.88 2p01A5 ALA 32 HB3 -0.30 0.04 0.11 -0.04 1.41 1.22 2p01A5 GLN 33 H -0.53 0.52 -0.19 -0.55 8.47 7.72 2p01A5 GLN 33 HA -0.42 -0.04 0.42 -0.75 4.36 3.57 2p01A5 GLN 33 HB2 -0.30 0.18 0.17 -0.04 2.15 2.16 2p01A5 GLN 33 HB3 -0.21 -0.04 0.03 -0.04 2.02 1.75 2p01A5 GLN 33 HG2 -0.60 -0.06 0.03 -0.04 2.40 1.73 2p01A5 GLN 33 HG3 -1.32 0.16 0.06 -0.04 2.39 1.25 2p01A5 GLN 33 HE21 -1.39 0.00 -0.16 -0.04 6.97 5.39 2p01A5 GLN 33 HE22 0.27 -0.05 -0.06 -0.04 7.69 7.80 2p01A5 ARG 34 H -0.14 0.41 -0.25 -0.55 8.46 7.92 2p01A5 ARG 34 HA -0.00 -0.02 0.38 -0.75 4.34 3.94 2p01A5 ARG 34 HB2 -0.04 -0.03 0.12 -0.04 1.90 1.91 2p01A5 ARG 34 HB3 -0.04 0.17 0.18 -0.04 1.80 2.07 2p01A5 ARG 34 HG2 -0.01 0.04 -0.18 -0.04 1.67 1.47 2p01A5 ARG 34 HG3 -0.01 -0.05 0.04 -0.04 1.67 1.61 2p01A5 ARG 34 HD2 -0.01 -0.04 -0.02 -0.04 3.22 3.11 2p01A5 ARG 34 HD3 -0.02 -0.04 -0.00 -0.04 3.22 3.11 2p01A5 LEU 35 H -0.06 0.43 -0.18 -0.55 8.37 8.02 2p01A5 LEU 35 HA 0.00 -0.01 0.43 -0.75 4.35 4.02 2p01A5 LEU 35 HB2 -0.03 0.08 0.10 -0.04 1.64 1.75 2p01A5 LEU 35 HB3 -0.00 -0.04 -0.04 -0.04 1.64 1.51 2p01A5 LEU 35 HG -0.02 0.08 0.04 -0.04 1.64 1.71 2p01A5 LEU 35 HD13 0.01 -0.03 -0.05 -0.04 0.93 0.83 2p01A5 LEU 35 HD23 -0.00 -0.01 -0.00 -0.04 0.89 0.83 2p01A5 HIS 36 H -0.06 0.35 -0.27 -0.55 8.41 7.88 2p01A5 HIS 36 HA -0.07 -0.08 0.39 -0.75 4.63 4.12 2p01A5 HIS 36 HB2 -0.04 0.15 -0.50 -0.04 3.26 2.83 2p01A5 HIS 36 HB3 -0.03 -0.08 0.18 -0.04 3.20 3.22 2p01A5 HIS 36 HD2 -0.06 0.26 0.05 -0.04 6.97 7.17 2p01A5 HIS 36 HE1 -0.01 -0.08 -0.02 -0.04 7.75 7.60 2p01A5 LEU 37 H -0.14 0.12 0.12 -0.55 8.37 7.92 2p01A5 LEU 37 HA 0.01 0.26 0.91 -0.75 4.35 4.78 2p01A5 LEU 37 HB2 -0.01 -0.05 -0.01 -0.04 1.64 1.53 2p01A5 LEU 37 HB3 0.01 -0.08 -0.01 -0.04 1.64 1.53 2p01A5 LEU 37 HG -0.01 0.09 -0.53 -0.04 1.64 1.15 2p01A5 LEU 37 HD13 0.02 -0.01 -0.08 -0.04 0.93 0.82 2p01A5 LEU 37 HD23 -0.02 0.00 0.01 -0.04 0.89 0.85 2p01A5 PRO 38 HA 0.03 0.14 0.36 -0.51 4.44 4.46 2p01A5 PRO 38 HB2 0.02 -0.26 0.05 -0.04 2.28 2.06 2p01A5 PRO 38 HB3 0.02 0.07 0.16 -0.04 2.02 2.23 2p01A5 PRO 38 HG2 0.01 0.03 0.11 -0.04 2.03 2.14 2p01A5 PRO 38 HG3 0.01 0.11 0.12 -0.04 2.03 2.24 2p01A5 PRO 38 HD2 0.01 0.09 0.21 -0.04 3.68 3.94 2p01A5 PRO 38 HD3 0.02 0.28 0.21 -0.04 3.65 4.11 2p01A5 PRO 39 HA 0.03 0.16 0.44 -0.51 4.44 4.55 2p01A5 PRO 39 HB2 0.02 0.00 0.07 -0.04 2.28 2.33 2p01A5 PRO 39 HB3 0.02 0.08 0.11 -0.04 2.02 2.20 2p01A5 PRO 39 HG2 0.02 0.06 0.11 -0.04 2.03 2.19 2p01A5 PRO 39 HG3 0.03 0.11 0.11 -0.04 2.03 2.24 2p01A5 PRO 39 HD2 0.02 0.06 0.24 -0.04 3.68 3.97 2p01A5 PRO 39 HD3 0.03 0.21 0.23 -0.04 3.65 4.08 2p01A5 VAL 40 H 0.03 0.16 -0.09 -0.55 8.24 7.79 2p01A5 VAL 40 HA 0.03 0.11 0.42 -0.75 4.13 3.94 2p01A5 VAL 40 HB 0.02 -0.03 0.08 -0.04 2.12 2.16 2p01A5 VAL 40 HG13 0.03 0.02 -0.09 -0.04 0.97 0.88 2p01A5 VAL 40 HG23 0.02 0.02 0.05 -0.04 0.95 1.00 2p01A5 ARG 41 H 0.03 0.09 -0.26 -0.55 8.46 7.77 2p01A5 ARG 41 HA 0.06 0.06 0.41 -0.75 4.34 4.11 2p01A5 ARG 41 HB2 0.03 0.09 -0.00 -0.04 1.90 1.98 2p01A5 ARG 41 HB3 0.05 0.04 -0.03 -0.04 1.80 1.82 2p01A5 ARG 41 HG2 0.02 0.02 0.01 -0.04 1.67 1.68 2p01A5 ARG 41 HG3 0.02 -0.10 0.02 -0.04 1.67 1.57 2p01A5 ARG 41 HD2 -0.01 0.01 0.02 -0.04 3.22 3.20 2p01A5 ARG 41 HD3 0.00 0.02 0.04 -0.04 3.22 3.25 2p01A5 LEU 42 H 0.06 0.59 -0.30 -0.55 8.37 8.17 2p01A5 LEU 42 HA 0.16 0.02 0.40 -0.75 4.35 4.17 2p01A5 LEU 42 HB2 0.03 0.23 0.05 -0.04 1.64 1.90 2p01A5 LEU 42 HB3 0.07 0.03 0.14 -0.04 1.64 1.84 2p01A5 LEU 42 HG 0.30 -0.09 0.04 -0.04 1.64 1.86 2p01A5 LEU 42 HD13 -0.07 0.00 0.00 -0.04 0.93 0.82 2p01A5 LEU 42 HD23 0.21 -0.00 -0.23 -0.04 0.89 0.83 2p01A5 ALA 43 H 0.09 0.60 -0.16 -0.55 8.40 8.38 2p01A5 ALA 43 HA 0.10 0.03 0.44 -0.75 4.34 4.17 2p01A5 ALA 43 HB3 0.05 0.02 0.12 -0.04 1.41 1.56 2p01A5 GLU 44 H 0.08 0.57 -0.09 -0.55 8.60 8.62 2p01A5 GLU 44 HA 0.07 0.03 0.44 -0.75 4.29 4.07 2p01A5 GLU 44 HB2 0.06 0.02 0.12 -0.04 2.09 2.24 2p01A5 GLU 44 HB3 0.08 0.06 0.13 -0.04 1.99 2.21 2p01A5 GLU 44 HG2 0.07 -0.01 -0.18 -0.04 2.34 2.17 2p01A5 GLU 44 HG3 0.05 -0.03 0.04 -0.04 2.34 2.36 2p01A5 LEU 45 H 0.14 0.70 -0.15 -0.55 8.37 8.52 2p01A5 LEU 45 HA 0.13 -0.01 0.43 -0.75 4.35 4.15 2p01A5 LEU 45 HB2 0.19 0.04 0.12 -0.04 1.64 1.95 2p01A5 LEU 45 HB3 0.24 0.05 0.18 -0.04 1.64 2.07 2p01A5 LEU 45 HG 0.25 -0.04 -0.25 -0.04 1.64 1.56 2p01A5 LEU 45 HD13 0.12 -0.03 0.04 -0.04 0.93 1.03 2p01A5 LEU 45 HD23 0.22 0.00 -0.04 -0.04 0.89 1.04 2p01A5 HIS 46 H 0.30 0.71 -0.11 -0.55 8.41 8.77 2p01A5 HIS 46 HA 0.10 -0.02 0.41 -0.75 4.63 4.37 2p01A5 HIS 46 HB2 0.22 0.07 0.15 -0.04 3.26 3.66 2p01A5 HIS 46 HB3 0.03 0.09 0.16 -0.04 3.20 3.44 2p01A5 HIS 46 HD2 -0.13 0.02 -0.29 -0.04 6.97 6.54 2p01A5 HIS 46 HE1 -0.85 0.02 0.00 -0.04 7.75 6.87 2p01A5 ALA 47 H 0.14 0.54 -0.27 -0.55 8.40 8.27 2p01A5 ALA 47 HA 0.04 -0.01 0.44 -0.75 4.34 4.06 2p01A5 ALA 47 HB3 0.06 0.04 0.12 -0.04 1.41 1.58 2p01A5 ASP 48 H 0.04 0.59 -0.21 -0.55 8.40 8.27 2p01A5 ASP 48 HA 0.00 -0.01 0.43 -0.75 4.63 4.30 2p01A5 ASP 48 HB2 0.04 0.06 0.15 -0.04 2.71 2.92 2p01A5 ASP 48 HB3 0.03 0.15 0.24 -0.04 2.70 3.08 2p01A5 LEU 49 H -0.03 0.63 -0.02 -0.55 8.37 8.40 2p01A5 LEU 49 HA -0.05 -0.00 0.43 -0.75 4.35 3.97 2p01A5 LEU 49 HB2 -0.10 0.13 0.14 -0.04 1.64 1.77 2p01A5 LEU 49 HB3 -0.07 -0.07 0.02 -0.04 1.64 1.47 2p01A5 LEU 49 HG -0.02 0.07 0.08 -0.04 1.64 1.73 2p01A5 LEU 49 HD13 0.06 -0.00 -0.05 -0.04 0.93 0.91 2p01A5 LEU 49 HD23 -0.08 -0.02 0.00 -0.04 0.89 0.76 2p01A5 LYS 50 H -0.17 0.59 -0.23 -0.55 8.42 8.05 2p01A5 LYS 50 HA -0.09 -0.03 0.40 -0.75 4.32 3.85 2p01A5 LYS 50 HB2 -0.31 0.14 0.15 -0.04 1.87 1.81 2p01A5 LYS 50 HB3 -0.08 0.11 0.20 -0.04 1.79 1.98 2p01A5 LYS 50 HG2 -0.05 -0.05 -0.15 -0.04 1.46 1.18 2p01A5 LYS 50 HG3 -0.10 -0.05 0.07 -0.04 1.46 1.33 2p01A5 LYS 50 HD2 0.02 0.02 -0.01 -0.04 1.69 1.68 2p01A5 LYS 50 HD3 -0.01 0.01 -0.00 -0.04 1.68 1.64 2p01A5 LYS 50 HE2 -0.03 -0.03 -0.02 -0.04 2.99 2.87 2p01A5 LYS 50 HE3 -0.06 -0.01 -0.00 -0.04 2.99 2.88 2p01A5 ILE 51 H -0.04 0.66 -0.16 -0.55 8.25 8.17 2p01A5 ILE 51 HA -0.01 -0.01 0.46 -0.75 4.18 3.87 2p01A5 ILE 51 HB -0.01 0.19 0.20 -0.04 1.89 2.23 2p01A5 ILE 51 HG12 -0.00 -0.08 0.05 -0.04 1.49 1.42 2p01A5 ILE 51 HG13 -0.01 0.20 0.14 -0.04 1.21 1.50 2p01A5 ILE 51 HG23 0.00 -0.03 -0.05 -0.04 0.93 0.81 2p01A5 ILE 51 HD13 0.01 -0.02 -0.02 -0.04 0.88 0.81 2p01A5 GLN 52 H -0.03 0.57 -0.16 -0.55 8.47 8.30 2p01A5 GLN 52 HA -0.02 -0.03 0.38 -0.75 4.36 3.93 2p01A5 GLN 52 HB2 -0.04 0.06 0.15 -0.04 2.15 2.27 2p01A5 GLN 52 HB3 -0.04 0.22 0.22 -0.04 2.02 2.37 2p01A5 GLN 52 HG2 -0.05 0.00 -0.00 -0.04 2.40 2.30 2p01A5 GLN 52 HG3 -0.04 -0.05 -0.18 -0.04 2.39 2.08 2p01A5 GLN 52 HE21 -0.06 -0.03 -0.00 -0.04 6.97 6.83 2p01A5 GLN 52 HE22 -0.06 -0.04 0.05 -0.04 7.69 7.60 2p01A5 GLU 53 H -0.02 0.57 -0.25 -0.55 8.60 8.36 2p01A5 GLU 53 HA 0.00 -0.02 0.47 -0.75 4.29 3.99 2p01A5 GLU 53 HB2 0.02 0.01 0.14 -0.04 2.09 2.21 2p01A5 GLU 53 HB3 0.01 0.20 0.14 -0.04 1.99 2.30 2p01A5 GLU 53 HG2 0.05 -0.04 0.04 -0.04 2.34 2.34 2p01A5 GLU 53 HG3 0.02 -0.03 -0.01 -0.04 2.34 2.28 2p01A5 ARG 54 H -0.00 0.44 -0.15 -0.55 8.46 8.19 2p01A5 ARG 54 HA 0.01 -0.00 0.44 -0.75 4.34 4.04 2p01A5 ARG 54 HB2 -0.00 0.06 0.17 -0.04 1.90 2.08 2p01A5 ARG 54 HB3 0.00 0.10 0.24 -0.04 1.80 2.10 2p01A5 ARG 54 HG2 0.01 -0.05 -0.11 -0.04 1.67 1.48 2p01A5 ARG 54 HG3 0.00 -0.02 0.06 -0.04 1.67 1.68 2p01A5 ARG 54 HD2 0.00 -0.00 0.00 -0.04 3.22 3.18 2p01A5 ARG 54 HD3 0.00 -0.02 -0.01 -0.04 3.22 3.15 2p01A5 ASP 55 H 0.01 0.82 -0.02 -0.55 8.40 8.67 2p01A5 ASP 55 HA 0.06 0.00 0.44 -0.75 4.63 4.37 2p01A5 ASP 55 HB2 0.02 0.15 0.14 -0.04 2.71 2.97 2p01A5 ASP 55 HB3 0.05 -0.08 0.00 -0.04 2.70 2.63 2p01A5 GLU 56 H 0.03 0.55 -0.19 -0.55 8.60 8.44 2p01A5 GLU 56 HA 0.07 -0.04 0.40 -0.75 4.29 3.97 2p01A5 GLU 56 HB2 0.02 0.17 0.25 -0.04 2.09 2.48 2p01A5 GLU 56 HB3 0.03 -0.05 0.02 -0.04 1.99 1.95 2p01A5 GLU 56 HG2 -0.03 0.21 0.12 -0.04 2.34 2.60 2p01A5 GLU 56 HG3 -0.04 -0.05 0.01 -0.04 2.34 2.23 2p01A5 LEU 57 H 0.06 0.60 -0.11 -0.55 8.37 8.37 2p01A5 LEU 57 HA 0.09 0.00 0.43 -0.75 4.35 4.11 2p01A5 LEU 57 HB2 0.04 0.02 0.15 -0.04 1.64 1.80 2p01A5 LEU 57 HB3 0.04 0.14 0.17 -0.04 1.64 1.95 2p01A5 LEU 57 HG 0.03 -0.02 -0.15 -0.04 1.64 1.46 2p01A5 LEU 57 HD13 0.04 -0.02 0.06 -0.04 0.93 0.97 2p01A5 LEU 57 HD23 0.02 0.00 0.01 -0.04 0.89 0.87 2p01A5 ALA 58 H 0.08 0.52 -0.20 -0.55 8.40 8.25 2p01A5 ALA 58 HA 0.03 0.01 0.43 -0.75 4.34 4.06 2p01A5 ALA 58 HB3 0.06 0.03 0.13 -0.04 1.41 1.58 2p01A5 TRP 59 H 0.25 0.80 -0.07 -0.55 7.97 8.41 2p01A5 TRP 59 HA -0.00 -0.06 0.38 -0.75 4.62 4.18 2p01A5 TRP 59 HB2 -0.01 0.00 0.08 -0.04 3.23 3.27 2p01A5 TRP 59 HB3 -0.01 0.19 0.17 -0.04 3.23 3.55 2p01A5 TRP 59 HD1 -0.00 -0.03 -0.02 -0.04 7.22 7.12 2p01A5 TRP 59 HE1 -0.00 -0.23 0.01 -0.04 10.20 9.93 2p01A5 TRP 59 HE3 -0.00 0.12 -0.21 -0.04 7.59 7.45 2p01A5 TRP 59 HZ2 -0.00 -0.02 -0.02 -0.04 7.44 7.35 2p01A5 TRP 59 HZ3 -0.00 0.03 -0.03 -0.04 7.13 7.09 2p01A5 TRP 59 HH2 -0.00 0.05 -0.01 -0.04 7.19 7.19 2p01A5 LYS 60 H 0.31 0.54 -0.22 -0.55 8.42 8.49 2p01A5 LYS 60 HA -0.06 -0.00 0.42 -0.75 4.32 3.92 2p01A5 LYS 60 HB2 0.25 0.01 0.14 -0.04 1.87 2.23 2p01A5 LYS 60 HB3 0.09 0.17 0.17 -0.04 1.79 2.18 2p01A5 LYS 60 HG2 0.01 -0.00 -0.15 -0.04 1.46 1.28 2p01A5 LYS 60 HG3 0.10 -0.03 0.06 -0.04 1.46 1.55 2p01A5 LYS 60 HD2 0.11 -0.02 0.01 -0.04 1.69 1.74 2p01A5 LYS 60 HD3 0.06 0.02 0.00 -0.04 1.68 1.72 2p01A5 LYS 60 HE2 0.03 0.01 -0.02 -0.04 2.99 2.97 2p01A5 LYS 60 HE3 0.06 -0.01 -0.00 -0.04 2.99 3.00 2p01A5 LYS 61 H -0.00 0.52 -0.14 -0.55 8.42 8.24 2p01A5 LYS 61 HA -0.06 0.01 0.40 -0.75 4.32 3.92 2p01A5 LYS 61 HB2 -0.01 0.04 0.15 -0.04 1.87 2.01 2p01A5 LYS 61 HB3 -0.03 0.14 0.20 -0.04 1.79 2.06 2p01A5 LYS 61 HG2 -0.05 -0.03 -0.16 -0.04 1.46 1.18 2p01A5 LYS 61 HG3 -0.03 -0.02 0.06 -0.04 1.46 1.43 2p01A5 LYS 61 HD2 -0.01 0.00 0.01 -0.04 1.69 1.65 2p01A5 LYS 61 HD3 -0.02 -0.01 -0.00 -0.04 1.68 1.61 2p01A5 LYS 61 HE2 -0.03 -0.01 -0.03 -0.04 2.99 2.89 2p01A5 LYS 61 HE3 -0.02 0.00 -0.00 -0.04 2.99 2.93 2p01A5 LEU 62 H -0.17 0.57 -0.13 -0.55 8.37 8.10 2p01A5 LEU 62 HA -0.13 0.03 0.42 -0.75 4.35 3.91 2p01A5 LEU 62 HB2 -0.29 0.13 0.15 -0.04 1.64 1.59 2p01A5 LEU 62 HB3 -0.24 -0.13 -0.07 -0.04 1.64 1.17 2p01A5 LEU 62 HG -0.09 -0.01 0.03 -0.04 1.64 1.53 2p01A5 LEU 62 HD13 -0.05 0.05 -0.03 -0.04 0.93 0.86 2p01A5 LEU 62 HD23 -0.05 -0.03 -0.01 -0.04 0.89 0.76 2p01A5 LYS 63 H -0.56 0.52 -0.17 -0.55 8.42 7.66 2p01A5 LYS 63 HA -0.38 0.23 0.39 -0.75 4.32 3.80 2p01A5 LYS 63 HB2 -1.26 -0.06 0.15 -0.04 1.87 0.66 2p01A5 LYS 63 HB3 -0.46 0.16 0.21 -0.04 1.79 1.66 2p01A5 LYS 63 HG2 -0.19 0.01 -0.14 -0.04 1.46 1.09 2p01A5 LYS 63 HG3 -0.28 0.09 0.11 -0.04 1.46 1.34 2p01A5 LYS 63 HD2 -0.26 -0.07 0.02 -0.04 1.69 1.34 2p01A5 LYS 63 HD3 -0.09 -0.01 0.01 -0.04 1.68 1.55 2p01A5 LYS 63 HE2 0.12 -0.05 0.00 -0.04 2.99 3.02 2p01A5 LYS 63 HE3 -0.01 0.01 -0.01 -0.04 2.99 2.94 2p01A5 LEU 64 H -0.19 0.51 -0.19 -0.55 8.37 7.95 2p01A5 LEU 64 HA -0.08 0.02 0.44 -0.75 4.35 3.97 2p01A5 LEU 64 HB2 -0.07 -0.04 0.11 -0.04 1.64 1.61 2p01A5 LEU 64 HB3 -0.08 0.16 0.19 -0.04 1.64 1.87 2p01A5 LEU 64 HG -0.05 0.02 -0.21 -0.04 1.64 1.36 2p01A5 LEU 64 HD13 -0.04 -0.01 0.08 -0.04 0.93 0.92 2p01A5 LEU 64 HD23 -0.03 -0.02 0.00 -0.04 0.89 0.80 2p01A5 ASP 65 H -0.12 0.43 -0.18 -0.55 8.40 7.98 2p01A5 ASP 65 HA -0.06 -0.00 0.42 -0.75 4.63 4.23 2p01A5 ASP 65 HB2 -0.07 0.02 0.14 -0.04 2.71 2.76 2p01A5 ASP 65 HB3 -0.09 0.02 0.12 -0.04 2.70 2.72 2p01A5 GLY 66 H -0.12 0.31 -0.64 -0.55 8.43 7.44 2p01A5 GLY 66 HA2 -0.07 0.08 0.30 -0.51 4.01 3.81 2p01A5 GLY 66 HA3 -0.05 0.08 0.80 -0.51 4.01 4.32 2p01A5 LEU 67 H -0.14 0.47 0.08 -0.55 8.37 8.23 2p01A5 LEU 67 HA -0.07 0.16 0.74 -0.75 4.35 4.42 2p01A5 LEU 67 HB2 -0.13 0.06 -0.03 -0.04 1.64 1.49 2p01A5 LEU 67 HB3 -0.08 -0.28 0.13 -0.04 1.64 1.37 2p01A5 LEU 67 HG -0.07 0.09 -0.35 -0.04 1.64 1.27 2p01A5 LEU 67 HD13 -0.05 -0.01 -0.02 -0.04 0.93 0.80 2p01A5 LEU 67 HD23 -0.04 0.00 -0.04 -0.04 0.89 0.78 2p01A5 ASP 68 H -0.07 0.07 0.07 -0.55 8.40 7.93 2p01A5 ASP 68 HA 0.00 -0.19 0.43 -0.75 4.63 4.12 2p01A5 ASP 68 HB2 -0.21 -0.04 -0.00 -0.04 2.71 2.41 2p01A5 ASP 68 HB3 -0.40 0.28 -0.20 -0.04 2.70 2.34 2p01A5 GLU 69 H 0.03 -0.14 0.17 -0.55 8.60 8.11 2p01A5 GLU 69 HA 0.03 0.35 0.87 -0.75 4.29 4.79 2p01A5 GLU 69 HB2 0.01 -0.10 0.04 -0.04 2.09 2.00 2p01A5 GLU 69 HB3 0.01 0.05 -0.01 -0.04 1.99 2.00 2p01A5 GLU 69 HG2 -0.01 0.12 -0.12 -0.04 2.34 2.30 2p01A5 GLU 69 HG3 -0.02 -0.07 -0.59 -0.04 2.34 1.62 2p01A5 ASP 70 H 0.04 -0.09 0.21 -0.55 8.40 8.01 2p01A5 ASP 70 HA 0.04 0.22 0.46 -0.75 4.63 4.59 2p01A5 ASP 70 HB2 0.03 0.07 0.17 -0.04 2.71 2.94 2p01A5 ASP 70 HB3 0.05 -0.25 0.15 -0.04 2.70 2.61 2p01A5 GLY 71 H 0.12 -0.06 -0.16 -0.55 8.43 7.79 2p01A5 GLY 71 HA2 0.21 0.01 0.20 -0.51 4.01 3.92 2p01A5 GLY 71 HA3 0.09 0.32 0.52 -0.51 4.01 4.43 2p01A5 GLU 72 H 0.08 0.00 -0.17 -0.55 8.60 7.97 2p01A5 GLU 72 HA 0.03 0.20 0.41 -0.75 4.29 4.17 2p01A5 GLU 72 HB2 0.04 0.08 0.03 -0.04 2.09 2.19 2p01A5 GLU 72 HB3 0.05 -0.05 0.06 -0.04 1.99 2.00 2p01A5 GLU 72 HG2 0.03 -0.01 -0.15 -0.04 2.34 2.17 2p01A5 GLU 72 HG3 0.02 0.05 0.03 -0.04 2.34 2.40 2p01A5 LYS 73 H 0.14 -0.00 -0.10 -0.55 8.42 7.90 2p01A5 LYS 73 HA 0.07 0.15 0.39 -0.75 4.32 4.18 2p01A5 LYS 73 HB2 0.48 -0.09 0.11 -0.04 1.87 2.33 2p01A5 LYS 73 HB3 0.33 0.11 -0.00 -0.04 1.79 2.19 2p01A5 LYS 73 HG2 0.12 0.09 0.03 -0.04 1.46 1.67 2p01A5 LYS 73 HG3 0.14 -0.13 0.08 -0.04 1.46 1.51 2p01A5 LYS 73 HD2 0.17 -0.04 0.05 -0.04 1.69 1.83 2p01A5 LYS 73 HD3 0.19 0.09 0.02 -0.04 1.68 1.93 2p01A5 LYS 73 HE2 0.06 -0.08 0.05 -0.04 2.99 2.98 2p01A5 LYS 73 HE3 0.03 0.05 0.03 -0.04 2.99 3.06 2p01A5 GLU 74 H 0.07 0.06 -0.16 -0.55 8.60 8.02 2p01A5 GLU 74 HA -0.52 0.08 0.36 -0.75 4.29 3.46 2p01A5 GLU 74 HB2 -0.64 0.06 0.02 -0.04 2.09 1.49 2p01A5 GLU 74 HB3 -1.08 0.02 0.07 -0.04 1.99 0.95 2p01A5 GLU 74 HG2 -0.01 -0.14 0.02 -0.04 2.34 2.17 2p01A5 GLU 74 HG3 -0.14 0.10 -0.14 -0.04 2.34 2.13 2p01A5 ALA 75 H -0.06 0.34 -0.42 -0.55 8.40 7.72 2p01A5 ALA 75 HA -0.08 0.02 0.40 -0.75 4.34 3.93 2p01A5 ALA 75 HB3 -0.02 0.07 0.12 -0.04 1.41 1.54 2p01A5 ARG 76 H -0.03 0.54 -0.22 -0.55 8.46 8.20 2p01A5 ARG 76 HA -0.02 0.02 0.44 -0.75 4.34 4.02 2p01A5 ARG 76 HB2 -0.00 0.03 0.15 -0.04 1.90 2.03 2p01A5 ARG 76 HB3 -0.01 0.12 0.19 -0.04 1.80 2.06 2p01A5 ARG 76 HG2 -0.01 -0.02 -0.17 -0.04 1.67 1.43 2p01A5 ARG 76 HG3 -0.01 -0.02 0.06 -0.04 1.67 1.66 2p01A5 ARG 76 HD2 0.01 -0.01 -0.01 -0.04 3.22 3.17 2p01A5 ARG 76 HD3 0.01 0.00 -0.02 -0.04 3.22 3.16 2p01A5 LEU 77 H -0.09 0.48 -0.16 -0.55 8.37 8.06 2p01A5 LEU 77 HA -0.06 0.02 0.43 -0.75 4.35 3.99 2p01A5 LEU 77 HB2 -0.20 0.13 0.18 -0.04 1.64 1.71 2p01A5 LEU 77 HB3 -0.12 -0.02 0.03 -0.04 1.64 1.48 2p01A5 LEU 77 HG -0.08 0.21 0.03 -0.04 1.64 1.76 2p01A5 LEU 77 HD13 -0.14 -0.02 -0.10 -0.04 0.93 0.62 2p01A5 LEU 77 HD23 -0.03 -0.01 -0.03 -0.04 0.89 0.78 2p01A5 ILE 78 H -0.12 0.69 -0.09 -0.55 8.25 8.18 2p01A5 ILE 78 HA -0.09 0.01 0.43 -0.75 4.18 3.78 2p01A5 ILE 78 HB -0.08 0.10 0.19 -0.04 1.89 2.06 2p01A5 ILE 78 HG12 -0.12 -0.04 0.02 -0.04 1.49 1.31 2p01A5 ILE 78 HG13 -0.17 0.15 0.07 -0.04 1.21 1.22 2p01A5 ILE 78 HG23 -0.06 -0.01 -0.07 -0.04 0.93 0.74 2p01A5 ILE 78 HD13 -0.12 -0.02 -0.10 -0.04 0.88 0.59 2p01A5 ARG 79 H -0.05 0.72 -0.08 -0.55 8.46 8.49 2p01A5 ARG 79 HA -0.03 0.00 0.41 -0.75 4.34 3.96 2p01A5 ARG 79 HB2 -0.03 0.04 0.13 -0.04 1.90 2.01 2p01A5 ARG 79 HB3 -0.03 0.09 0.17 -0.04 1.80 2.00 2p01A5 ARG 79 HG2 -0.01 -0.03 -0.17 -0.04 1.67 1.42 2p01A5 ARG 79 HG3 -0.02 -0.03 0.05 -0.04 1.67 1.64 2p01A5 ARG 79 HD2 -0.01 0.01 -0.01 -0.04 3.22 3.16 2p01A5 ARG 79 HD3 -0.01 -0.01 -0.02 -0.04 3.22 3.14 2p01A5 ASN 80 H -0.04 0.62 -0.21 -0.55 8.53 8.35 2p01A5 ASN 80 HA -0.02 -0.01 0.43 -0.75 4.76 4.41 2p01A5 ASN 80 HB2 -0.04 0.15 0.21 -0.04 2.88 3.15 2p01A5 ASN 80 HB3 -0.03 -0.06 0.02 -0.04 2.79 2.68 2p01A5 ASN 80 HD21 -0.02 -0.04 -0.05 -0.04 7.03 6.88 2p01A5 ASN 80 HD22 -0.01 -0.06 -0.04 -0.04 7.74 7.59 2p01A5 LEU 81 H -0.05 0.53 -0.23 -0.55 8.37 8.07 2p01A5 LEU 81 HA -0.07 -0.01 0.40 -0.75 4.35 3.93 2p01A5 LEU 81 HB2 -0.07 0.12 0.20 -0.04 1.64 1.85 2p01A5 LEU 81 HB3 -0.06 0.07 0.14 -0.04 1.64 1.75 2p01A5 LEU 81 HG -0.06 -0.02 0.00 -0.04 1.64 1.52 2p01A5 LEU 81 HD13 -0.06 -0.01 -0.10 -0.04 0.93 0.72 2p01A5 LEU 81 HD23 -0.07 -0.01 0.03 -0.04 0.89 0.80 2p01A5 ASN 82 H -0.04 0.55 -0.11 -0.55 8.53 8.39 2p01A5 ASN 82 HA -0.03 0.01 0.43 -0.75 4.76 4.41 2p01A5 ASN 82 HB2 -0.03 0.13 0.17 -0.04 2.88 3.12 2p01A5 ASN 82 HB3 -0.02 -0.04 0.01 -0.04 2.79 2.71 2p01A5 ASN 82 HD21 -0.03 -0.01 -0.02 -0.04 7.03 6.94 2p01A5 ASN 82 HD22 -0.03 -0.03 -0.02 -0.04 7.74 7.62 2p01A5 VAL 83 H -0.02 0.57 -0.19 -0.55 8.24 8.04 2p01A5 VAL 83 HA 0.00 0.00 0.44 -0.75 4.13 3.82 2p01A5 VAL 83 HB -0.01 0.08 0.22 -0.04 2.12 2.37 2p01A5 VAL 83 HG13 0.01 -0.02 -0.09 -0.04 0.97 0.84 2p01A5 VAL 83 HG23 -0.01 -0.01 0.01 -0.04 0.95 0.90 2p01A5 ILE 84 H -0.04 0.80 -0.04 -0.55 8.25 8.42 2p01A5 ILE 84 HA -0.01 0.00 0.41 -0.75 4.18 3.83 2p01A5 ILE 84 HB -0.12 0.11 0.19 -0.04 1.89 2.03 2p01A5 ILE 84 HG12 -0.05 -0.06 0.03 -0.04 1.49 1.37 2p01A5 ILE 84 HG13 -0.04 0.23 0.12 -0.04 1.21 1.48 2p01A5 ILE 84 HG23 -0.37 -0.02 -0.08 -0.04 0.93 0.41 2p01A5 ILE 84 HD13 -0.08 -0.03 -0.07 -0.04 0.88 0.66 2p01A5 LEU 85 H -0.07 0.57 -0.11 -0.55 8.37 8.22 2p01A5 LEU 85 HA -0.05 0.02 0.41 -0.75 4.35 3.98 2p01A5 LEU 85 HB2 -0.04 0.13 0.15 -0.04 1.64 1.84 2p01A5 LEU 85 HB3 -0.01 -0.06 -0.09 -0.04 1.64 1.44 2p01A5 LEU 85 HG -0.05 -0.01 -0.03 -0.04 1.64 1.51 2p01A5 LEU 85 HD13 -0.04 -0.01 -0.12 -0.04 0.93 0.73 2p01A5 LEU 85 HD23 -0.14 0.05 -0.03 -0.04 0.89 0.73 2p01A5 ALA 86 H 0.01 0.66 -0.18 -0.55 8.40 8.33 2p01A5 ALA 86 HA 0.03 -0.06 0.41 -0.75 4.34 3.97 2p01A5 ALA 86 HB3 0.02 0.00 0.14 -0.04 1.41 1.52 2p01A5 LYS 87 H 0.08 0.70 -0.07 -0.55 8.42 8.57 2p01A5 LYS 87 HA 0.06 0.01 0.43 -0.75 4.32 4.06 2p01A5 LYS 87 HB2 0.19 0.10 0.18 -0.04 1.87 2.30 2p01A5 LYS 87 HB3 0.11 -0.05 0.01 -0.04 1.79 1.81 2p01A5 LYS 87 HG2 0.04 -0.05 0.04 -0.04 1.46 1.46 2p01A5 LYS 87 HG3 0.05 0.10 0.10 -0.04 1.46 1.67 2p01A5 LYS 87 HD2 0.08 0.00 -0.04 -0.04 1.69 1.69 2p01A5 LYS 87 HD3 0.06 -0.03 -0.00 -0.04 1.68 1.67 2p01A5 LYS 87 HE2 0.03 -0.01 -0.00 -0.04 2.99 2.96 2p01A5 LYS 87 HE3 0.03 -0.01 -0.02 -0.04 2.99 2.95 2p01A5 TYR 88 H 0.34 0.47 -0.17 -0.55 8.29 8.38 2p01A5 TYR 88 HA 0.00 0.01 0.40 -0.75 4.56 4.23 2p01A5 TYR 88 HB2 -0.00 0.07 0.20 -0.04 3.06 3.28 2p01A5 TYR 88 HB3 -0.00 -0.05 0.01 -0.04 2.98 2.90 2p01A5 TYR 88 HD2 0.00 0.01 0.03 -0.04 7.15 7.16 2p01A5 TYR 88 HE2 0.02 -0.04 -0.01 -0.04 6.85 6.78 2p01A5 GLY 89 H 0.11 0.35 -0.53 -0.55 8.43 7.81 2p01A5 GLY 89 HA2 0.04 -0.00 0.34 -0.51 4.01 3.87 2p01A5 GLY 89 HA3 0.03 0.07 0.45 -0.51 4.01 4.05 2p01A5 LEU 90 H 0.10 0.23 -0.21 -0.55 8.37 7.93 2p01A5 LEU 90 HA 0.03 0.23 0.68 -0.75 4.35 4.53 2p01A5 LEU 90 HB2 0.08 -0.06 0.00 -0.04 1.64 1.62 2p01A5 LEU 90 HB3 0.04 -0.02 0.12 -0.04 1.64 1.74 2p01A5 LEU 90 HG 0.12 0.14 -0.32 -0.04 1.64 1.54 2p01A5 LEU 90 HD13 0.16 -0.02 -0.04 -0.04 0.93 0.99 2p01A5 LEU 90 HD23 0.03 0.02 -0.06 -0.04 0.89 0.84 2p01A5 ASP 91 H 0.03 0.05 -0.44 -0.55 8.40 7.49 2p01A5 ASP 91 HA -0.00 0.07 0.50 -0.75 4.63 4.45 2p01A5 ASP 91 HB2 0.01 -0.02 -0.08 -0.04 2.71 2.57 2p01A5 ASP 91 HB3 0.01 -0.10 0.11 -0.04 2.70 2.67 2p01A5 GLY 92 H 0.01 0.02 0.00 -0.55 8.43 7.91 2p01A5 GLY 92 HA2 -0.00 0.09 0.44 -0.51 4.01 4.03 2p01A5 GLY 92 HA3 0.00 0.03 0.23 -0.51 4.01 3.76 2p01A5 LYS 93 H -0.00 0.19 -0.00 -0.55 8.42 8.05 2p01A5 LYS 93 HA 0.00 0.13 0.69 -0.75 4.32 4.39 2p01A5 LYS 93 HB2 -0.00 0.12 -0.22 -0.04 1.87 1.73 2p01A5 LYS 93 HB3 -0.00 -0.03 -0.00 -0.04 1.79 1.71 2p01A5 LYS 93 HG2 -0.00 -0.01 -0.25 -0.04 1.46 1.16 2p01A5 LYS 93 HG3 -0.00 0.01 0.02 -0.04 1.46 1.45 2p01A5 LYS 93 HD2 -0.00 0.04 -0.06 -0.04 1.69 1.63 2p01A5 LYS 93 HD3 -0.00 -0.03 -0.07 -0.04 1.68 1.54 2p01A5 LYS 93 HE2 -0.00 -0.03 -0.06 -0.04 2.99 2.86 2p01A5 LYS 93 HE3 -0.00 0.02 -0.03 -0.04 2.99 2.93 2p01A5 LYS 94 H -0.00 0.16 0.02 -0.55 8.42 8.04 2p01A5 LYS 94 HA -0.00 -0.03 0.37 -0.75 4.32 3.91 2p01A5 LYS 94 HB2 -0.00 -0.03 -0.31 -0.04 1.87 1.49 2p01A5 LYS 94 HB3 -0.00 0.05 0.16 -0.04 1.79 1.96 2p01A5 LYS 94 HG2 -0.00 -0.01 0.01 -0.04 1.46 1.42 2p01A5 LYS 94 HG3 -0.00 -0.00 0.05 -0.04 1.46 1.46 2p01A5 LYS 94 HD2 -0.00 0.01 -0.03 -0.04 1.69 1.62 2p01A5 LYS 94 HD3 -0.00 0.01 -0.01 -0.04 1.68 1.63 2p01A5 LYS 94 HE2 -0.00 -0.01 -0.00 -0.04 2.99 2.93 2p01A5 LYS 94 HE3 -0.00 0.01 0.00 -0.04 2.99 2.95 2p01A5 ASP 95 H -0.00 0.08 0.01 -0.55 8.40 7.93 2p01A5 ASP 95 HA -0.00 -0.01 0.34 -0.75 4.63 4.21 2p01A5 ASP 95 HB2 -0.00 -0.05 -0.02 -0.04 2.71 2.60 2p01A5 ASP 95 HB3 -0.00 0.05 0.11 -0.04 2.70 2.81 2p01A5 ALA 96 H -0.00 0.30 0.51 -0.55 8.40 8.66 2p01A5 ALA 96 HA -0.00 0.04 0.36 -0.75 4.34 3.98 2p01A5 ALA 96 HB3 -0.00 -0.00 -0.00 -0.04 1.41 1.36 2p01A5 ARG 97 H -0.00 0.25 0.21 -0.55 8.46 8.36 2p01A5 ARG 97 HA -0.00 0.07 0.71 -0.75 4.34 4.36 2p01A5 ARG 97 HB2 -0.00 -0.03 0.02 -0.04 1.90 1.84 2p01A5 ARG 97 HB3 -0.00 0.15 -0.10 -0.04 1.80 1.81 2p01A5 ARG 97 HG2 -0.00 -0.04 0.09 -0.04 1.67 1.67 2p01A5 ARG 97 HG3 -0.00 0.01 -0.10 -0.04 1.67 1.53 2p01A5 ARG 97 HD2 -0.00 0.05 -0.17 -0.04 3.22 3.05 2p01A5 ARG 97 HD3 -0.00 -0.02 -0.01 -0.04 3.22 3.14 2p01A5 GLN 98 H -0.00 -0.07 0.19 -0.55 8.47 8.04 2p01A5 GLN 98 HA -0.00 0.15 0.54 -0.75 4.36 4.29 2p01A5 GLN 98 HB2 -0.00 0.12 -0.16 -0.04 2.15 2.07 2p01A5 GLN 98 HB3 -0.00 -0.03 -0.07 -0.04 2.02 1.87 2p01A5 GLN 98 HG2 -0.00 -0.02 -0.05 -0.04 2.40 2.28 2p01A5 GLN 98 HG3 -0.00 0.03 0.12 -0.04 2.39 2.49 2p01A5 GLN 98 HE21 -0.00 -0.01 -0.01 -0.04 6.97 6.91 2p01A5 GLN 98 HE22 -0.00 -0.00 -0.02 -0.04 7.69 7.63 2p01A5 VAL 99 H -0.00 -0.11 0.18 -0.55 8.24 7.76 2p01A5 VAL 99 HA -0.00 0.14 0.69 -0.75 4.13 4.21 2p01A5 VAL 99 HB -0.00 0.01 0.24 -0.04 2.12 2.33 2p01A5 VAL 99 HG13 -0.00 0.01 -0.04 -0.04 0.97 0.90 2p01A5 VAL 99 HG23 -0.00 0.00 0.04 -0.04 0.95 0.95 2p01A5 THR 100 H -0.00 0.37 0.24 -0.55 8.28 8.34 2p01A5 THR 100 HA -0.00 0.11 0.60 -0.75 4.39 4.35 2p01A5 THR 100 HB -0.00 0.05 -0.33 -0.04 4.32 4.00 2p01A5 THR 100 HG23 -0.00 0.02 -0.17 -0.04 1.22 1.02 2p01A5 SER 101 H -0.00 0.23 0.06 -0.55 8.46 8.21 2p01A5 SER 101 HA -0.00 0.13 0.97 -0.75 4.49 4.83 2p01A5 SER 101 HB2 -0.00 0.01 -0.04 -0.04 3.95 3.87 2p01A5 SER 101 HB3 -0.00 0.05 0.13 -0.04 3.93 4.07 2p01A5 ASN 102 H -0.00 0.16 0.07 -0.55 8.53 8.21 2p01A5 ASN 102 HA -0.00 0.10 0.39 -0.75 4.76 4.50 2p01A5 ASN 102 HB2 -0.00 -0.12 0.07 -0.04 2.88 2.79 2p01A5 ASN 102 HB3 -0.00 0.21 -0.11 -0.04 2.79 2.85 2p01A5 ASN 102 HD21 -0.00 -0.03 -0.01 -0.04 7.03 6.95 2p01A5 ASN 102 HD22 -0.00 0.00 -0.03 -0.04 7.74 7.67 2p01A5 SER 103 H -0.00 -0.07 -0.13 -0.55 8.46 7.71 2p01A5 SER 103 HA -0.00 -0.12 0.34 -0.75 4.49 3.96 2p01A5 SER 103 HB2 -0.00 0.22 -0.36 -0.04 3.95 3.77 2p01A5 SER 103 HB3 -0.00 -0.04 0.01 -0.04 3.93 3.86 2p01A5 LEU 104 H -0.00 -0.00 0.04 -0.55 8.37 7.86 2p01A5 LEU 104 HA -0.00 0.00 0.30 -0.75 4.35 3.90 2p01A5 LEU 104 HB2 -0.00 0.18 -0.39 -0.04 1.64 1.39 2p01A5 LEU 104 HB3 -0.00 -0.19 0.20 -0.04 1.64 1.61 2p01A5 LEU 104 HG 0.00 -0.01 0.09 -0.04 1.64 1.67 2p01A5 LEU 104 HD13 0.00 0.00 -0.01 -0.04 0.93 0.88 2p01A5 LEU 104 HD23 0.00 0.01 0.00 -0.04 0.89 0.87 2p01A5 SER 105 H -0.00 0.07 0.14 -0.55 8.46 8.13 2p01A5 SER 105 HA -0.00 0.08 0.36 -0.75 4.49 4.17 2p01A5 SER 105 HB2 -0.00 -0.07 0.16 -0.04 3.95 4.00 2p01A5 SER 105 HB3 -0.00 0.03 0.04 -0.04 3.93 3.96 2p01A5 GLY 106 H -0.00 -0.02 -0.07 -0.55 8.43 7.79 2p01A5 GLY 106 HA2 -0.00 0.00 0.27 -0.51 4.01 3.77 2p01A5 GLY 106 HA3 -0.00 0.23 0.36 -0.51 4.01 4.08 2p01A5 THR 107 H -0.00 -0.10 -0.26 -0.55 8.28 7.37 2p01A5 THR 107 HA -0.01 0.11 0.44 -0.75 4.39 4.18 2p01A5 THR 107 HB -0.01 -0.00 -0.09 -0.04 4.32 4.18 2p01A5 THR 107 HG23 -0.00 0.03 -0.07 -0.04 1.22 1.13 2p01A5 GLN 108 H -0.01 0.21 0.15 -0.55 8.47 8.26 2p01A5 GLN 108 HA -0.02 0.11 0.81 -0.75 4.36 4.51 2p01A5 GLN 108 HB2 -0.02 0.02 -0.08 -0.04 2.15 2.03 2p01A5 GLN 108 HB3 -0.01 0.08 -0.14 -0.04 2.02 1.91 2p01A5 GLN 108 HG2 -0.01 0.09 0.09 -0.04 2.40 2.52 2p01A5 GLN 108 HG3 -0.02 -0.07 0.10 -0.04 2.39 2.36 2p01A5 GLN 108 HE21 -0.01 -0.04 0.01 -0.04 6.97 6.89 2p01A5 GLN 108 HE22 -0.01 -0.00 -0.02 -0.04 7.69 7.62 2p01A5 GLU 109 H -0.03 0.19 0.07 -0.55 8.60 8.29 2p01A5 GLU 109 HA -0.04 0.11 0.77 -0.75 4.29 4.38 2p01A5 GLU 109 HB2 -0.05 0.06 0.05 -0.04 2.09 2.11 2p01A5 GLU 109 HB3 -0.07 -0.07 -0.08 -0.04 1.99 1.74 2p01A5 GLU 109 HG2 -0.03 0.01 -0.08 -0.04 2.34 2.20 2p01A5 GLU 109 HG3 -0.02 -0.03 -0.19 -0.04 2.34 2.06 2p01A5 ASP 110 H -0.05 0.12 0.09 -0.55 8.40 8.02 2p01A5 ASP 110 HA -0.05 0.14 0.40 -0.75 4.63 4.36 2p01A5 ASP 110 HB2 -0.04 0.05 0.08 -0.04 2.71 2.77 2p01A5 ASP 110 HB3 -0.06 -0.10 0.05 -0.04 2.70 2.55 2p01A5 GLY 111 H -0.13 -0.03 -0.29 -0.55 8.43 7.44 2p01A5 GLY 111 HA2 -0.34 0.13 0.30 -0.51 4.01 3.60 2p01A5 GLY 111 HA3 -0.34 0.05 0.35 -0.51 4.01 3.55 2p01A5 LEU 112 H -0.22 0.25 0.06 -0.55 8.37 7.91 2p01A5 LEU 112 HA -0.11 0.18 0.79 -0.75 4.35 4.45 2p01A5 LEU 112 HB2 -0.33 0.09 -0.21 -0.04 1.64 1.16 2p01A5 LEU 112 HB3 -0.12 -0.03 -0.01 -0.04 1.64 1.43 2p01A5 LEU 112 HG 0.03 -0.05 -0.32 -0.04 1.64 1.26 2p01A5 LEU 112 HD13 0.10 0.01 0.02 -0.04 0.93 1.02 2p01A5 LEU 112 HD23 0.37 0.00 -0.11 -0.04 0.89 1.12 2p01A5 ASP 113 H -0.03 0.22 0.04 -0.55 8.40 8.08 2p01A5 ASP 113 HA -0.03 0.12 0.53 -0.75 4.63 4.50 2p01A5 ASP 113 HB2 -0.01 0.02 0.19 -0.04 2.71 2.87 2p01A5 ASP 113 HB3 -0.01 0.05 0.20 -0.04 2.70 2.90 2p01A5 ASP 114 H -0.02 0.56 -0.33 -0.55 8.40 8.07 2p01A5 ASP 114 HA 0.00 0.18 0.55 -0.75 4.63 4.61 2p01A5 ASP 114 HB2 0.03 -0.04 -0.09 -0.04 2.71 2.57 2p01A5 ASP 114 HB3 0.01 -0.14 0.09 -0.04 2.70 2.63 2p01A5 PRO 115 HA -0.03 0.09 0.38 -0.51 4.44 4.37 2p01A5 PRO 115 HB2 -0.00 0.05 0.01 -0.04 2.28 2.31 2p01A5 PRO 115 HB3 -0.02 0.09 0.09 -0.04 2.02 2.15 2p01A5 PRO 115 HG2 -0.00 0.10 0.06 -0.04 2.03 2.15 2p01A5 PRO 115 HG3 -0.01 0.08 0.08 -0.04 2.03 2.13 2p01A5 PRO 115 HD2 0.00 0.15 0.15 -0.04 3.68 3.94 2p01A5 PRO 115 HD3 -0.01 0.14 0.04 -0.04 3.65 3.78 2p01A5 ARG 116 H 0.01 0.10 -0.36 -0.55 8.46 7.67 2p01A5 ARG 116 HA 0.03 0.14 0.42 -0.75 4.34 4.17 2p01A5 ARG 116 HB2 0.03 -0.05 0.04 -0.04 1.90 1.88 2p01A5 ARG 116 HB3 0.04 0.06 -0.02 -0.04 1.80 1.85 2p01A5 ARG 116 HG2 0.03 0.06 0.02 -0.04 1.67 1.73 2p01A5 ARG 116 HG3 0.02 -0.06 0.01 -0.04 1.67 1.60 2p01A5 ARG 116 HD2 0.02 0.04 -0.00 -0.04 3.22 3.24 2p01A5 ARG 116 HD3 0.02 -0.02 0.01 -0.04 3.22 3.19 2p01A5 LEU 117 H 0.04 0.20 -0.16 -0.55 8.37 7.89 2p01A5 LEU 117 HA 0.08 0.12 0.59 -0.75 4.35 4.38 2p01A5 LEU 117 HB2 0.09 0.07 0.05 -0.04 1.64 1.82 2p01A5 LEU 117 HB3 0.03 -0.01 0.04 -0.04 1.64 1.65 2p01A5 LEU 117 HG -0.00 -0.08 -0.00 -0.04 1.64 1.51 2p01A5 LEU 117 HD13 -0.13 0.01 -0.03 -0.04 0.93 0.74 2p01A5 LEU 117 HD23 -0.08 0.02 -0.06 -0.04 0.89 0.72 2p01A5 GLU 118 H 0.05 0.48 -0.14 -0.55 8.60 8.45 2p01A5 GLU 118 HA 0.17 -0.03 0.34 -0.75 4.29 4.02 2p01A5 GLU 118 HB2 -0.08 0.18 0.12 -0.04 2.09 2.28 2p01A5 GLU 118 HB3 -0.33 0.01 0.02 -0.04 1.99 1.64 2p01A5 GLU 118 HG2 -0.03 -0.06 0.03 -0.04 2.34 2.23 2p01A5 GLU 118 HG3 -0.01 0.11 -0.15 -0.04 2.34 2.25 2p01A5 LYS 119 H 0.06 0.27 -0.64 -0.55 8.42 7.55 2p01A5 LYS 119 HA 0.01 0.07 0.38 -0.75 4.32 4.03 2p01A5 LYS 119 HB2 0.08 0.13 0.11 -0.04 1.87 2.15 2p01A5 LYS 119 HB3 0.07 0.01 -0.02 -0.04 1.79 1.81 2p01A5 LYS 119 HG2 0.00 -0.03 0.02 -0.04 1.46 1.42 2p01A5 LYS 119 HG3 0.01 0.14 0.08 -0.04 1.46 1.65 2p01A5 LYS 119 HD2 0.04 0.04 0.06 -0.04 1.69 1.79 2p01A5 LYS 119 HD3 0.04 -0.01 0.01 -0.04 1.68 1.69 2p01A5 LYS 119 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.94 2p01A5 LYS 119 HE3 0.01 -0.01 -0.02 -0.04 2.99 2.94 2p01A5 LEU 120 H 0.19 0.24 -0.12 -0.55 8.37 8.13 2p01A5 LEU 120 HA 0.16 0.10 0.45 -0.75 4.35 4.30 2p01A5 LEU 120 HB2 0.28 0.02 0.17 -0.04 1.64 2.06 2p01A5 LEU 120 HB3 0.43 -0.00 -0.00 -0.04 1.64 2.03 2p01A5 LEU 120 HG 0.47 -0.00 -0.00 -0.04 1.64 2.07 2p01A5 LEU 120 HD13 0.20 0.00 0.01 -0.04 0.93 1.10 2p01A5 LEU 120 HD23 0.17 0.01 -0.03 -0.04 0.89 1.00 2p01A5 TRP 121 H 0.43 0.51 -0.09 -0.55 7.97 8.27 2p01A5 TRP 121 HA -0.21 0.02 0.37 -0.75 4.62 4.05 2p01A5 TRP 121 HB2 -0.36 -0.01 0.04 -0.04 3.23 2.86 2p01A5 TRP 121 HB3 0.14 0.04 0.12 -0.04 3.23 3.48 2p01A5 TRP 121 HD1 -0.49 0.06 -0.45 -0.04 7.22 6.31 2p01A5 TRP 121 HE1 -0.34 0.03 -0.06 -0.04 10.20 9.78 2p01A5 TRP 121 HE3 -2.63 -0.00 -0.04 -0.04 7.59 4.88 2p01A5 TRP 121 HZ2 -0.26 0.01 -0.01 -0.04 7.44 7.14 2p01A5 TRP 121 HZ3 -1.61 0.01 -0.07 -0.04 7.13 5.42 2p01A5 TRP 121 HH2 -0.35 0.01 -0.05 -0.04 7.19 6.76 2p01A5 HIS 122 H 0.67 0.57 -0.11 -0.55 8.41 9.00 2p01A5 HIS 122 HA 0.17 -0.00 0.42 -0.75 4.63 4.45 2p01A5 HIS 122 HB2 0.09 0.13 0.07 -0.04 3.26 3.52 2p01A5 HIS 122 HB3 0.08 -0.03 0.03 -0.04 3.20 3.24 2p01A5 HIS 122 HD2 0.05 0.01 -0.01 -0.04 6.97 6.98 2p01A5 HIS 122 HE1 -0.18 -0.10 0.01 -0.04 7.75 7.43 2p01A5 LYS 123 H 0.16 0.34 -0.43 -0.55 8.42 7.94 2p01A5 LYS 123 HA 0.02 0.02 0.40 -0.75 4.32 4.00 2p01A5 LYS 123 HB2 0.07 0.25 0.33 -0.04 1.87 2.49 2p01A5 LYS 123 HB3 -0.01 -0.02 0.06 -0.04 1.79 1.78 2p01A5 LYS 123 HG2 -0.05 -0.04 -0.01 -0.04 1.46 1.31 2p01A5 LYS 123 HG3 -0.06 -0.00 0.06 -0.04 1.46 1.42 2p01A5 LYS 123 HD2 0.04 -0.05 0.02 -0.04 1.69 1.66 2p01A5 LYS 123 HD3 0.04 -0.00 -0.03 -0.04 1.68 1.65 2p01A5 LYS 123 HE2 -0.01 -0.01 -0.03 -0.04 2.99 2.90 2p01A5 LYS 123 HE3 -0.02 0.01 -0.00 -0.04 2.99 2.94 2p01A5 ALA 124 H -0.05 0.56 -0.09 -0.55 8.40 8.27 2p01A5 ALA 124 HA -0.28 0.11 0.46 -0.75 4.34 3.87 2p01A5 ALA 124 HB3 -0.16 0.01 0.09 -0.04 1.41 1.31 2p01A5 LYS 125 H -0.21 0.50 -0.10 -0.55 8.42 8.05 2p01A5 LYS 125 HA -0.13 -0.12 0.01 -0.75 4.32 3.33 2p01A5 LYS 125 HB2 -0.33 0.02 0.06 -0.04 1.87 1.58 2p01A5 LYS 125 HB3 -0.09 0.06 0.10 -0.04 1.79 1.82 2p01A5 LYS 125 HG2 -0.06 0.08 -0.32 -0.04 1.46 1.12 2p01A5 LYS 125 HG3 -0.11 -0.11 -0.10 -0.04 1.46 1.10 2p01A5 LYS 125 HD2 -0.06 0.02 -0.05 -0.04 1.69 1.55 2p01A5 LYS 125 HD3 -0.02 0.00 -0.06 -0.04 1.68 1.56 2p01A5 LYS 125 HE2 0.01 -0.08 -0.02 -0.04 2.99 2.86 2p01A5 LYS 125 HE3 0.06 0.02 -0.04 -0.04 2.99 2.99 2p01A5 THR 126 H -0.04 0.61 -0.27 -0.55 8.28 8.03 2p01A5 THR 126 HA -0.02 0.09 0.55 -0.75 4.39 4.26 2p01A5 THR 126 HB 0.02 0.16 0.10 -0.04 4.32 4.55 2p01A5 THR 126 HG23 0.02 -0.01 -0.14 -0.04 1.22 1.05 2p01A5 SER 127 H -0.09 0.55 -0.05 -0.55 8.46 8.32 2p01A5 SER 127 HA 0.01 -0.05 0.39 -0.75 4.49 4.08 2p01A5 SER 127 HB2 -0.30 -0.10 0.27 -0.04 3.95 3.78 2p01A5 SER 127 HB3 -0.33 -0.07 0.07 -0.04 3.93 3.56 2p01A5 GLY 128 H -0.19 0.21 -0.85 -0.55 8.43 7.04 2p01A5 GLY 128 HA2 -0.12 0.14 0.69 -0.51 4.01 4.21 2p01A5 GLY 128 HA3 -0.34 -0.09 0.34 -0.51 4.01 3.41 2p01A5 LYS 129 H 0.06 0.00 0.16 -0.55 8.42 8.09 2p01A5 LYS 129 HA -0.00 0.27 0.55 -0.75 4.32 4.38 2p01A5 LYS 129 HB2 0.01 -0.09 0.25 -0.04 1.87 2.00 2p01A5 LYS 129 HB3 0.01 0.17 0.13 -0.04 1.79 2.06 2p01A5 LYS 129 HG2 0.03 -0.02 -0.40 -0.04 1.46 1.04 2p01A5 LYS 129 HG3 0.11 -0.04 -0.10 -0.04 1.46 1.39 2p01A5 LYS 129 HD2 0.01 -0.05 0.01 -0.04 1.69 1.62 2p01A5 LYS 129 HD3 0.02 0.05 -0.03 -0.04 1.68 1.68 2p01A5 LYS 129 HE2 0.05 -0.02 -0.03 -0.04 2.99 2.95 2p01A5 LYS 129 HE3 0.03 -0.03 -0.01 -0.04 2.99 2.94 2p01A5 PHE 130 H 0.18 0.27 0.07 -0.55 8.34 8.32 2p01A5 PHE 130 HA -0.15 0.04 0.39 -0.75 4.62 4.15 2p01A5 PHE 130 HB2 -0.20 0.16 -0.18 -0.04 3.15 2.88 2p01A5 PHE 130 HB3 -0.23 -0.11 0.02 -0.04 3.06 2.70 2p01A5 PHE 130 HD2 -0.13 -0.14 -0.06 -0.04 7.28 6.91 2p01A5 PHE 130 HE2 -0.10 0.03 -0.01 -0.04 7.38 7.26 2p01A5 PHE 130 HZ -0.09 0.06 -0.01 -0.04 7.32 7.24 2p01A5 SER 131 H -0.06 1.13 -0.18 -0.55 8.46 8.81 2p01A5 SER 131 HA -0.21 0.08 0.85 -0.75 4.49 4.45 2p01A5 SER 131 HB2 -0.06 0.03 0.13 -0.04 3.95 4.02 2p01A5 SER 131 HB3 -0.07 -0.00 0.02 -0.04 3.93 3.84 2p01A5 GLY 132 H -0.22 0.21 0.10 -0.55 8.43 7.98 2p01A5 GLY 132 HA2 -0.06 0.10 0.35 -0.51 4.01 3.88 2p01A5 GLY 132 HA3 -0.08 0.23 0.93 -0.51 4.01 4.58 2p01A5 GLU 133 H -0.11 0.31 0.06 -0.55 8.60 8.32 2p01A5 GLU 133 HA -0.07 0.14 0.51 -0.75 4.29 4.11 2p01A5 GLU 133 HB2 -0.08 0.05 0.03 -0.04 2.09 2.05 2p01A5 GLU 133 HB3 -0.07 0.06 0.10 -0.04 1.99 2.04 2p01A5 GLU 133 HG2 -0.14 -0.01 0.11 -0.04 2.34 2.27 2p01A5 GLU 133 HG3 -0.18 0.04 -0.10 -0.04 2.34 2.05 2p01A5 GLU 134 H -0.22 0.16 -0.20 -0.55 8.60 7.79 2p01A5 GLU 134 HA -0.30 0.12 0.35 -0.75 4.29 3.71 2p01A5 GLU 134 HB2 -0.34 -0.11 -0.09 -0.04 2.09 1.50 2p01A5 GLU 134 HB3 -0.80 0.10 -0.02 -0.04 1.99 1.24 2p01A5 GLU 134 HG2 -1.44 0.08 -0.02 -0.04 2.34 0.93 2p01A5 GLU 134 HG3 -0.67 0.03 -0.00 -0.04 2.34 1.66 2p01A5 LEU 135 H -0.28 0.05 -0.45 -0.55 8.37 7.14 2p01A5 LEU 135 HA -0.40 0.09 0.41 -0.75 4.35 3.69 2p01A5 LEU 135 HB2 -0.59 -0.23 0.15 -0.04 1.64 0.93 2p01A5 LEU 135 HB3 -1.34 0.02 -0.03 -0.04 1.64 0.25 2p01A5 LEU 135 HG -0.70 0.23 0.15 -0.04 1.64 1.28 2p01A5 LEU 135 HD13 -1.33 0.00 0.06 -0.04 0.93 -0.38 2p01A5 LEU 135 HD23 -1.96 -0.02 0.09 -0.04 0.89 -1.05 2p01A5 ASP 136 H -0.18 0.32 -0.38 -0.55 8.40 7.61 2p01A5 ASP 136 HA 0.06 0.01 0.41 -0.75 4.63 4.36 2p01A5 ASP 136 HB2 0.05 -0.04 0.09 -0.04 2.71 2.77 2p01A5 ASP 136 HB3 -0.03 0.24 0.23 -0.04 2.70 3.10 2p01A5 LYS 137 H -0.04 0.57 -0.24 -0.55 8.42 8.16 2p01A5 LYS 137 HA 0.04 0.01 0.42 -0.75 4.32 4.04 2p01A5 LYS 137 HB2 -0.04 0.18 0.21 -0.04 1.87 2.17 2p01A5 LYS 137 HB3 0.01 -0.03 0.02 -0.04 1.79 1.76 2p01A5 LYS 137 HG2 -0.01 -0.04 0.03 -0.04 1.46 1.40 2p01A5 LYS 137 HG3 -0.04 0.19 0.07 -0.04 1.46 1.63 2p01A5 LYS 137 HD2 -0.07 -0.05 -0.08 -0.04 1.69 1.45 2p01A5 LYS 137 HD3 -0.12 -0.02 -0.05 -0.04 1.68 1.45 2p01A5 LYS 137 HE2 -0.02 0.02 -0.02 -0.04 2.99 2.93 2p01A5 LYS 137 HE3 -0.01 -0.01 -0.01 -0.04 2.99 2.92 2p01A5 LEU 138 H 0.09 0.53 -0.13 -0.55 8.37 8.31 2p01A5 LEU 138 HA 0.21 0.04 0.41 -0.75 4.35 4.25 2p01A5 LEU 138 HB2 0.19 0.12 0.21 -0.04 1.64 2.13 2p01A5 LEU 138 HB3 0.66 -0.05 0.00 -0.04 1.64 2.21 2p01A5 LEU 138 HG 0.20 0.01 0.01 -0.04 1.64 1.82 2p01A5 LEU 138 HD13 0.21 -0.01 0.02 -0.04 0.93 1.11 2p01A5 LEU 138 HD23 0.16 0.09 0.02 -0.04 0.89 1.11 2p01A5 TRP 139 H 0.51 0.56 -0.25 -0.55 7.97 8.25 2p01A5 TRP 139 HA 0.28 -0.05 0.46 -0.75 4.62 4.55 2p01A5 TRP 139 HB2 0.11 0.15 0.19 -0.04 3.23 3.64 2p01A5 TRP 139 HB3 0.11 -0.02 0.00 -0.04 3.23 3.29 2p01A5 TRP 139 HD1 0.16 0.02 -0.00 -0.04 7.22 7.35 2p01A5 TRP 139 HE1 0.04 -0.02 -0.03 -0.04 10.20 10.14 2p01A5 TRP 139 HE3 0.21 -0.11 -0.34 -0.04 7.59 7.30 2p01A5 TRP 139 HZ2 -0.04 -0.05 -0.09 -0.04 7.44 7.22 2p01A5 TRP 139 HZ3 -0.02 0.03 -0.12 -0.04 7.13 6.98 2p01A5 TRP 139 HH2 -0.21 0.02 -0.02 -0.04 7.19 6.95 2p01A5 ARG 140 H 0.17 0.50 -0.26 -0.55 8.46 8.31 2p01A5 ARG 140 HA -0.18 -0.02 0.41 -0.75 4.34 3.80 2p01A5 ARG 140 HB2 -0.03 0.23 0.23 -0.04 1.90 2.29 2p01A5 ARG 140 HB3 -0.24 -0.05 0.04 -0.04 1.80 1.51 2p01A5 ARG 140 HG2 0.07 0.21 0.07 -0.04 1.67 1.97 2p01A5 ARG 140 HG3 0.04 -0.05 0.01 -0.04 1.67 1.63 2p01A5 ARG 140 HD2 0.08 -0.01 0.02 -0.04 3.22 3.28 2p01A5 ARG 140 HD3 0.01 -0.04 0.04 -0.04 3.22 3.18 2p01A5 GLU 141 H -0.01 0.47 -0.26 -0.55 8.60 8.25 2p01A5 GLU 141 HA -0.03 0.02 0.45 -0.75 4.29 3.97 2p01A5 GLU 141 HB2 -0.01 0.20 0.19 -0.04 2.09 2.43 2p01A5 GLU 141 HB3 -0.01 -0.05 0.02 -0.04 1.99 1.91 2p01A5 GLU 141 HG2 0.08 -0.04 0.02 -0.04 2.34 2.36 2p01A5 GLU 141 HG3 0.03 0.10 0.06 -0.04 2.34 2.48 2p01A5 PHE 142 H 0.07 0.49 -0.05 -0.55 8.34 8.30 2p01A5 PHE 142 HA -0.15 0.03 0.42 -0.75 4.62 4.17 2p01A5 PHE 142 HB2 -0.72 0.06 0.24 -0.04 3.15 2.69 2p01A5 PHE 142 HB3 -0.67 -0.04 0.01 -0.04 3.06 2.32 2p01A5 PHE 142 HD2 -0.22 0.07 -0.11 -0.04 7.28 6.99 2p01A5 PHE 142 HE2 0.08 -0.00 -0.03 -0.04 7.38 7.38 2p01A5 PHE 142 HZ 0.05 0.00 -0.01 -0.04 7.32 7.33 2p01A5 LEU 143 H -0.08 0.66 0.04 -0.55 8.37 8.44 2p01A5 LEU 143 HA -0.03 -0.02 0.42 -0.75 4.35 3.97 2p01A5 LEU 143 HB2 0.00 0.12 0.09 -0.04 1.64 1.81 2p01A5 LEU 143 HB3 0.02 -0.05 0.07 -0.04 1.64 1.64 2p01A5 LEU 143 HG -0.11 0.21 0.14 -0.04 1.64 1.85 2p01A5 LEU 143 HD13 0.08 -0.01 -0.01 -0.04 0.93 0.95 2p01A5 LEU 143 HD23 -0.11 -0.03 -0.01 -0.04 0.89 0.71 2p01A5 HIS 144 H -0.03 0.46 -0.40 -0.55 8.41 7.90 2p01A5 HIS 144 HA -0.01 -0.04 0.41 -0.75 4.63 4.24 2p01A5 HIS 144 HB2 0.01 0.17 0.26 -0.04 3.26 3.66 2p01A5 HIS 144 HB3 -0.05 -0.09 0.05 -0.04 3.20 3.08 2p01A5 HIS 144 HD2 0.02 -0.14 -0.00 -0.04 6.97 6.79 2p01A5 HIS 144 HE1 0.03 -0.05 -0.05 -0.04 7.75 7.64 2p01A5 HIS 145 H 0.18 0.58 -0.24 -0.55 8.41 8.39 2p01A5 HIS 145 HA 0.04 -0.03 0.49 -0.75 4.63 4.38 2p01A5 HIS 145 HB2 -0.07 0.24 0.25 -0.04 3.26 3.64 2p01A5 HIS 145 HB3 -0.01 -0.07 0.00 -0.04 3.20 3.07 2p01A5 HIS 145 HD2 -0.09 0.15 0.02 -0.04 6.97 7.00 2p01A5 HIS 145 HE1 -0.02 -0.03 0.07 -0.04 7.75 7.73 2p01A5 LYS 146 H 0.07 0.43 -0.17 -0.55 8.42 8.20 2p01A5 LYS 146 HA -0.01 -0.00 0.41 -0.75 4.32 3.96 2p01A5 LYS 146 HB2 -0.04 0.19 0.26 -0.04 1.87 2.24 2p01A5 LYS 146 HB3 -0.18 -0.05 0.03 -0.04 1.79 1.55 2p01A5 LYS 146 HG2 0.01 0.14 0.03 -0.04 1.46 1.61 2p01A5 LYS 146 HG3 -0.06 -0.06 -0.01 -0.04 1.46 1.29 2p01A5 LYS 146 HD2 -0.10 -0.01 0.02 -0.04 1.69 1.55 2p01A5 LYS 146 HD3 -0.02 -0.01 0.01 -0.04 1.68 1.63 2p01A5 LYS 146 HE2 0.02 0.01 -0.04 -0.04 2.99 2.94 2p01A5 LYS 146 HE3 -0.04 -0.03 -0.03 -0.04 2.99 2.85 2p01A5 GLU 147 H 0.01 0.60 -0.08 -0.55 8.60 8.58 2p01A5 GLU 147 HA -0.03 0.04 0.51 -0.75 4.29 4.06 2p01A5 GLU 147 HB2 -0.02 -0.03 0.02 -0.04 2.09 2.02 2p01A5 GLU 147 HB3 -0.01 -0.01 0.09 -0.04 1.99 2.02 2p01A5 GLU 147 HG2 0.04 0.22 0.26 -0.04 2.34 2.83 2p01A5 GLU 147 HG3 -0.02 -0.01 0.18 -0.04 2.34 2.45 2p01A5 LYS 148 H -0.01 0.62 0.03 -0.55 8.42 8.51 2p01A5 LYS 148 HA -0.11 0.02 0.45 -0.75 4.32 3.93 2p01A5 LYS 148 HB2 -0.05 0.09 0.21 -0.04 1.87 2.07 2p01A5 LYS 148 HB3 0.05 -0.04 0.02 -0.04 1.79 1.78 2p01A5 LYS 148 HG2 -0.10 -0.05 0.06 -0.04 1.46 1.33 2p01A5 LYS 148 HG3 -0.08 0.12 0.13 -0.04 1.46 1.59 2p01A5 LYS 148 HD2 -0.05 -0.02 0.00 -0.04 1.69 1.58 2p01A5 LYS 148 HD3 -0.09 -0.02 0.01 -0.04 1.68 1.54 2p01A5 LYS 148 HE2 -0.11 -0.02 -0.05 -0.04 2.99 2.76 2p01A5 LYS 148 HE3 -0.24 0.03 -0.18 -0.04 2.99 2.55 2p01A5 VAL 149 H 0.10 0.76 -0.04 -0.55 8.24 8.52 2p01A5 VAL 149 HA 0.32 -0.01 0.44 -0.75 4.13 4.13 2p01A5 VAL 149 HB 0.20 0.06 0.17 -0.04 2.12 2.51 2p01A5 VAL 149 HG13 0.20 -0.03 0.01 -0.04 0.97 1.11 2p01A5 VAL 149 HG23 0.15 -0.03 0.02 -0.04 0.95 1.05 2p01A5 HIS 150 H 0.20 0.44 -0.38 -0.55 8.41 8.12 2p01A5 HIS 150 HA 0.04 -0.01 0.49 -0.75 4.63 4.39 2p01A5 HIS 150 HB2 0.01 0.22 0.29 -0.04 3.26 3.74 2p01A5 HIS 150 HB3 0.00 -0.07 0.02 -0.04 3.20 3.11 2p01A5 HIS 150 HD2 0.04 -0.06 -0.05 -0.04 6.97 6.86 2p01A5 HIS 150 HE1 0.02 -0.02 0.01 -0.04 7.75 7.71 2p01A5 GLU 151 H 0.04 0.55 -0.16 -0.55 8.60 8.48 2p01A5 GLU 151 HA -0.03 -0.00 0.45 -0.75 4.29 3.95 2p01A5 GLU 151 HB2 -0.26 0.17 0.21 -0.04 2.09 2.16 2p01A5 GLU 151 HB3 -0.19 -0.06 0.05 -0.04 1.99 1.74 2p01A5 GLU 151 HG2 -0.03 0.24 0.13 -0.04 2.34 2.64 2p01A5 GLU 151 HG3 -0.10 -0.04 0.03 -0.04 2.34 2.19 2p01A5 TYR 152 H -0.02 0.53 -0.18 -0.55 8.29 8.06 2p01A5 TYR 152 HA 0.00 0.02 0.43 -0.75 4.56 4.25 2p01A5 TYR 152 HB2 0.02 0.13 0.22 -0.04 3.06 3.39 2p01A5 TYR 152 HB3 0.01 -0.04 0.01 -0.04 2.98 2.92 2p01A5 TYR 152 HD2 0.00 -0.02 -0.08 -0.04 7.15 7.02 2p01A5 TYR 152 HE2 -0.02 -0.03 -0.04 -0.04 6.85 6.72 2p01A5 ASN 153 H 0.13 0.62 -0.04 -0.55 8.53 8.68 2p01A5 ASN 153 HA 0.05 0.05 0.54 -0.75 4.76 4.64 2p01A5 ASN 153 HB2 0.00 -0.03 0.08 -0.04 2.88 2.89 2p01A5 ASN 153 HB3 0.05 0.10 0.15 -0.04 2.79 3.05 2p01A5 ASN 153 HD21 -0.08 -0.04 -0.10 -0.04 7.03 6.78 2p01A5 ASN 153 HD22 -0.22 -0.02 -0.06 -0.04 7.74 7.40 2p01A5 VAL 154 H -0.01 0.82 0.03 -0.55 8.24 8.53 2p01A5 VAL 154 HA -0.04 -0.00 0.43 -0.75 4.13 3.76 2p01A5 VAL 154 HB -0.02 0.04 0.19 -0.04 2.12 2.29 2p01A5 VAL 154 HG13 -0.02 -0.02 -0.09 -0.04 0.97 0.80 2p01A5 VAL 154 HG23 -0.09 -0.09 0.04 -0.04 0.95 0.77 2p01A5 LEU 155 H -0.00 0.69 -0.16 -0.55 8.37 8.35 2p01A5 LEU 155 HA -0.01 -0.00 0.45 -0.75 4.35 4.04 2p01A5 LEU 155 HB2 0.01 0.16 0.22 -0.04 1.64 1.99 2p01A5 LEU 155 HB3 -0.00 -0.09 0.03 -0.04 1.64 1.54 2p01A5 LEU 155 HG -0.04 0.00 0.17 -0.04 1.64 1.73 2p01A5 LEU 155 HD13 -0.10 -0.03 -0.06 -0.04 0.93 0.69 2p01A5 LEU 155 HD23 -0.03 -0.03 0.03 -0.04 0.89 0.82 2p01A5 LEU 156 H 0.04 0.47 -0.27 -0.55 8.37 8.06 2p01A5 LEU 156 HA 0.03 -0.01 0.44 -0.75 4.35 4.06 2p01A5 LEU 156 HB2 0.04 0.12 0.28 -0.04 1.64 2.04 2p01A5 LEU 156 HB3 0.03 -0.05 0.02 -0.04 1.64 1.59 2p01A5 LEU 156 HG 0.08 0.04 0.12 -0.04 1.64 1.84 2p01A5 LEU 156 HD13 0.06 -0.03 -0.01 -0.04 0.93 0.90 2p01A5 LEU 156 HD23 0.04 -0.03 0.03 -0.04 0.89 0.89 2p01A5 GLU 157 H 0.00 0.72 -0.13 -0.55 8.60 8.65 2p01A5 GLU 157 HA 0.00 0.01 0.45 -0.75 4.29 4.00 2p01A5 GLU 157 HB2 -0.02 0.11 0.15 -0.04 2.09 2.30 2p01A5 GLU 157 HB3 -0.01 -0.06 0.05 -0.04 1.99 1.93 2p01A5 GLU 157 HG2 -0.00 -0.05 0.04 -0.04 2.34 2.28 2p01A5 GLU 157 HG3 -0.00 0.14 0.10 -0.04 2.34 2.54 2p01A5 THR 158 H -0.00 0.36 -0.46 -0.55 8.28 7.64 2p01A5 THR 158 HA -0.01 0.02 0.49 -0.75 4.39 4.15 2p01A5 THR 158 HB -0.01 0.14 0.26 -0.04 4.32 4.68 2p01A5 THR 158 HG23 -0.01 -0.03 -0.06 -0.04 1.22 1.08 2p01A5 LEU 159 H 0.00 0.62 0.02 -0.55 8.37 8.46 2p01A5 LEU 159 HA -0.00 0.05 0.53 -0.75 4.35 4.17 2p01A5 LEU 159 HB2 -0.00 -0.03 0.03 -0.04 1.64 1.60 2p01A5 LEU 159 HB3 -0.00 -0.03 0.09 -0.04 1.64 1.66 2p01A5 LEU 159 HG 0.01 0.16 0.28 -0.04 1.64 2.04 2p01A5 LEU 159 HD13 0.01 -0.02 -0.18 -0.04 0.93 0.70 2p01A5 LEU 159 HD23 0.01 -0.02 -0.07 -0.04 0.89 0.77 2p01A5 SER 160 H 0.00 0.42 -0.32 -0.55 8.46 8.02 2p01A5 SER 160 HA 0.01 -0.00 0.34 -0.75 4.49 4.08 2p01A5 SER 160 HB2 0.01 -0.08 0.03 -0.04 3.95 3.87 2p01A5 SER 160 HB3 0.01 0.15 0.12 -0.04 3.93 4.17 2p01A5 ARG 161 H -0.00 0.36 -0.41 -0.55 8.46 7.85 2p01A5 ARG 161 HA -0.00 0.02 0.45 -0.75 4.34 4.06 2p01A5 ARG 161 HB2 -0.01 0.19 0.12 -0.04 1.90 2.16 2p01A5 ARG 161 HB3 -0.01 -0.06 0.02 -0.04 1.80 1.71 2p01A5 ARG 161 HG2 -0.00 -0.07 0.06 -0.04 1.67 1.62 2p01A5 ARG 161 HG3 -0.00 0.19 0.12 -0.04 1.67 1.93 2p01A5 ARG 161 HD2 -0.00 0.06 0.08 -0.04 3.22 3.31 2p01A5 ARG 161 HD3 -0.00 -0.06 0.03 -0.04 3.22 3.15 2p01A5 THR 162 H -0.01 0.26 -0.32 -0.55 8.28 7.66 2p01A5 THR 162 HA -0.03 0.04 0.51 -0.75 4.39 4.15 2p01A5 THR 162 HB -0.01 0.07 0.19 -0.04 4.32 4.52 2p01A5 THR 162 HG23 -0.03 -0.02 0.11 -0.04 1.22 1.25 2p01A5 GLU 163 H -0.01 0.25 -0.99 -0.55 8.60 7.30 2p01A5 GLU 163 HA -0.01 0.16 0.93 -0.75 4.29 4.63 2p01A5 GLU 163 HB2 0.00 0.06 -0.06 -0.04 2.09 2.05 2p01A5 GLU 163 HB3 0.00 0.20 0.13 -0.04 1.99 2.28 2p01A5 GLU 163 HG2 0.01 -0.02 -0.16 -0.04 2.34 2.13 2p01A5 GLU 163 HG3 0.01 -0.04 0.08 -0.04 2.34 2.35 2p01A5 GLU 164 H -0.00 0.26 0.14 -0.55 8.60 8.45 2p01A5 GLU 164 HA 0.01 0.16 0.61 -0.75 4.29 4.32 2p01A5 GLU 164 HB2 0.01 0.04 0.15 -0.04 2.09 2.25 2p01A5 GLU 164 HB3 0.01 0.04 0.17 -0.04 1.99 2.17 2p01A5 GLU 164 HG2 0.03 -0.10 0.24 -0.04 2.34 2.47 2p01A5 GLU 164 HG3 0.02 0.07 0.14 -0.04 2.34 2.54 2p01A5 ILE 165 H -0.03 0.14 -1.04 -0.55 8.25 6.77 2p01A5 ILE 165 HA -0.15 0.03 0.36 -0.75 4.18 3.66 2p01A5 ILE 165 HB -0.09 0.02 -0.02 -0.04 1.89 1.75 2p01A5 ILE 165 HG12 -0.14 -0.00 -0.03 -0.04 1.49 1.27 2p01A5 ILE 165 HG13 -0.26 0.01 -0.21 -0.04 1.21 0.70 2p01A5 ILE 165 HG23 -0.04 0.04 -0.03 -0.04 0.93 0.86 2p01A5 ILE 165 HD13 -0.43 -0.00 -0.03 -0.04 0.88 0.37 2p01A5 HIS 166 H 0.09 0.25 0.38 -0.55 8.41 8.59 2p01A5 HIS 166 HA 0.00 0.02 0.31 -0.75 4.63 4.21 2p01A5 HIS 166 HB2 0.00 0.15 -0.14 -0.04 3.26 3.24 2p01A5 HIS 166 HB3 0.00 -0.04 0.18 -0.04 3.20 3.30 2p01A5 HIS 166 HD2 0.00 0.05 0.11 -0.04 6.97 7.10 2p01A5 HIS 166 HE1 0.00 -0.01 -0.02 -0.04 7.75 7.68 2p01A5 GLU 167 H 0.06 0.21 -1.08 -0.55 8.60 7.24 2p01A5 GLU 167 HA 0.04 0.02 0.36 -0.75 4.29 3.95 2p01A5 GLU 167 HB2 0.02 0.15 0.04 -0.04 2.09 2.26 2p01A5 GLU 167 HB3 0.03 -0.04 0.15 -0.04 1.99 2.08 2p01A5 GLU 167 HG2 0.02 -0.02 -0.11 -0.04 2.34 2.19 2p01A5 GLU 167 HG3 0.02 -0.02 0.05 -0.04 2.34 2.35 2p01A5 ASN 168 H 0.04 0.29 0.35 -0.55 8.53 8.66 2p01A5 ASN 168 HA 0.02 0.18 0.78 -0.75 4.76 4.99 2p01A5 ASN 168 HB2 0.01 -0.05 0.18 -0.04 2.88 2.98 2p01A5 ASN 168 HB3 0.02 0.01 -0.04 -0.04 2.79 2.73 2p01A5 ASN 168 HD21 0.01 -0.03 -0.01 -0.04 7.03 6.97 2p01A5 ASN 168 HD22 0.01 -0.04 0.04 -0.04 7.74 7.70 2p01A5 VAL 169 H 0.02 0.12 -0.15 -0.55 8.24 7.68 2p01A5 VAL 169 HA 0.01 0.17 0.94 -0.75 4.13 4.50 2p01A5 VAL 169 HB 0.02 -0.00 0.09 -0.04 2.12 2.19 2p01A5 VAL 169 HG13 0.01 -0.01 -0.12 -0.04 0.97 0.81 2p01A5 VAL 169 HG23 0.02 0.00 -0.09 -0.04 0.95 0.84 2p01A5 ILE 170 H 0.01 0.24 0.12 -0.55 8.25 8.07 2p01A5 ILE 170 HA 0.01 0.15 0.78 -0.75 4.18 4.37 2p01A5 ILE 170 HB 0.01 0.06 -0.24 -0.04 1.89 1.68 2p01A5 ILE 170 HG12 0.01 -0.01 -0.27 -0.04 1.49 1.18 2p01A5 ILE 170 HG13 0.01 0.03 0.04 -0.04 1.21 1.25 2p01A5 ILE 170 HG23 0.01 -0.01 -0.03 -0.04 0.93 0.86 2p01A5 ILE 170 HD13 0.01 -0.00 -0.06 -0.04 0.88 0.78 2p01A5 SER 171 H 0.01 0.30 0.13 -0.55 8.46 8.35 2p01A5 SER 171 HA 0.01 0.18 0.73 -0.75 4.49 4.65 2p01A5 SER 171 HB2 0.01 -0.09 -0.09 -0.04 3.95 3.73 2p01A5 SER 171 HB3 0.01 0.03 0.08 -0.04 3.93 4.01 2p01A5 PRO 172 HA 0.01 0.08 0.33 -0.51 4.44 4.35 2p01A5 PRO 172 HB2 0.00 -0.09 0.02 -0.04 2.28 2.17 2p01A5 PRO 172 HB3 0.00 0.06 0.02 -0.04 2.02 2.07 2p01A5 PRO 172 HG2 0.00 0.02 0.07 -0.04 2.03 2.09 2p01A5 PRO 172 HG3 0.00 0.07 0.07 -0.04 2.03 2.14 2p01A5 PRO 172 HD2 0.01 0.08 0.20 -0.04 3.68 3.92 2p01A5 PRO 172 HD3 0.01 0.18 0.18 -0.04 3.65 3.98 2p01A5 SER 173 H 0.01 0.02 -0.21 -0.55 8.46 7.73 2p01A5 SER 173 HA 0.01 -0.11 0.25 -0.75 4.49 3.89 2p01A5 SER 173 HB2 0.01 0.08 -0.07 -0.04 3.95 3.94 2p01A5 SER 173 HB3 0.01 0.02 -0.24 -0.04 3.93 3.68 2p01A5 ASP 174 H 0.01 0.07 -0.02 -0.55 8.40 7.91 2p01A5 ASP 174 HA 0.01 0.10 0.30 -0.75 4.63 4.29 2p01A5 ASP 174 HB2 0.01 -0.07 0.07 -0.04 2.71 2.68 2p01A5 ASP 174 HB3 0.01 0.04 -0.03 -0.04 2.70 2.67 2p01A5 LEU 175 H 0.01 0.01 -0.40 -0.55 8.37 7.45 2p01A5 LEU 175 HA 0.02 0.19 0.63 -0.75 4.35 4.44 2p01A5 LEU 175 HB2 0.02 0.04 -0.24 -0.04 1.64 1.42 2p01A5 LEU 175 HB3 0.02 0.04 0.23 -0.04 1.64 1.89 2p01A5 LEU 175 HG 0.03 0.12 0.10 -0.04 1.64 1.86 2p01A5 LEU 175 HD13 0.04 -0.03 0.00 -0.04 0.93 0.91 2p01A5 LEU 175 HD23 0.08 -0.04 -0.16 -0.04 0.89 0.73 2p01A5 SER 176 H 0.03 0.30 0.02 -0.55 8.46 8.26 2p01A5 SER 176 HA 0.04 0.12 0.38 -0.75 4.49 4.28 2p01A5 SER 176 HB2 0.08 0.05 0.01 -0.04 3.95 4.05 2p01A5 SER 176 HB3 0.05 -0.05 -0.15 -0.04 3.93 3.73 2p01A5 ASP 177 H 0.02 0.09 0.50 -0.55 8.40 8.47 2p01A5 ASP 177 HA 0.01 0.06 0.44 -0.75 4.63 4.38 2p01A5 ASP 177 HB2 0.01 -0.01 0.19 -0.04 2.71 2.86 2p01A5 ASP 177 HB3 0.01 0.16 -0.15 -0.04 2.70 2.69 2p01A5 ILE 178 H 0.01 0.72 0.41 -0.55 8.25 8.84 2p01A5 ILE 178 HA 0.00 0.21 0.77 -0.75 4.18 4.41 2p01A5 ILE 178 HB -0.00 -0.25 0.08 -0.04 1.89 1.68 2p01A5 ILE 178 HG12 0.01 -0.09 -0.14 -0.04 1.49 1.23 2p01A5 ILE 178 HG13 0.02 -0.04 -0.11 -0.04 1.21 1.03 2p01A5 ILE 178 HG23 0.00 0.06 -0.07 -0.04 0.93 0.88 2p01A5 ILE 178 HD13 0.02 0.04 0.03 -0.04 0.88 0.92 2p01A5 LYS 179 H -0.01 0.21 0.13 -0.55 8.42 8.20 2p01A5 LYS 179 HA -0.00 0.20 0.65 -0.75 4.32 4.41 2p01A5 LYS 179 HB2 -0.01 0.08 0.20 -0.04 1.87 2.09 2p01A5 LYS 179 HB3 -0.01 0.03 0.10 -0.04 1.79 1.87 2p01A5 LYS 179 HG2 -0.01 -0.07 0.12 -0.04 1.46 1.46 2p01A5 LYS 179 HG3 -0.02 0.02 0.03 -0.04 1.46 1.45 2p01A5 LYS 179 HD2 -0.01 0.04 0.05 -0.04 1.69 1.73 2p01A5 LYS 179 HD3 -0.01 0.02 0.05 -0.04 1.68 1.69 2p01A5 LYS 179 HE2 -0.01 -0.02 0.03 -0.04 2.99 2.95 2p01A5 LYS 179 HE3 -0.02 0.01 0.01 -0.04 2.99 2.96 2p01A5 GLY 180 H -0.00 0.32 -0.65 -0.55 8.43 7.55 2p01A5 GLY 180 HA2 -0.02 0.06 0.27 -0.51 4.01 3.81 2p01A5 GLY 180 HA3 -0.04 0.18 0.50 -0.51 4.01 4.14 2p01A5 SER 181 H -0.03 -0.11 -0.39 -0.55 8.46 7.39 2p01A5 SER 181 HA -0.08 0.16 0.38 -0.75 4.49 4.19 2p01A5 SER 181 HB2 -0.03 0.05 0.05 -0.04 3.95 3.98 2p01A5 SER 181 HB3 -0.02 -0.13 0.08 -0.04 3.93 3.82 2p01A5 VAL 182 H -0.02 -0.02 -0.17 -0.55 8.24 7.48 2p01A5 VAL 182 HA 0.10 0.26 0.72 -0.75 4.13 4.45 2p01A5 VAL 182 HB 0.03 0.03 0.09 -0.04 2.12 2.23 2p01A5 VAL 182 HG13 0.08 0.03 0.10 -0.04 0.97 1.14 2p01A5 VAL 182 HG23 0.01 0.09 -0.29 -0.04 0.95 0.72 2p01A5 LEU 183 H 0.06 0.24 0.10 -0.55 8.37 8.22 2p01A5 LEU 183 HA -0.09 0.07 0.40 -0.75 4.35 3.98 2p01A5 LEU 183 HB2 0.01 -0.03 -0.19 -0.04 1.64 1.39 2p01A5 LEU 183 HB3 0.07 0.22 0.10 -0.04 1.64 1.99 2p01A5 LEU 183 HG -0.35 -0.07 0.04 -0.04 1.64 1.22 2p01A5 LEU 183 HD13 -0.04 0.01 0.02 -0.04 0.93 0.88 2p01A5 LEU 183 HD23 0.22 0.02 -0.08 -0.04 0.89 1.01 2p01A5 HIS 184 H 0.29 0.91 -1.01 -0.55 8.41 8.05 2p01A5 HIS 184 HA 0.08 0.08 0.36 -0.75 4.63 4.40 2p01A5 HIS 184 HB2 0.03 0.03 0.01 -0.04 3.26 3.29 2p01A5 HIS 184 HB3 0.03 0.14 0.06 -0.04 3.20 3.39 2p01A5 HIS 184 HD2 0.01 0.03 -0.08 -0.04 6.97 6.88 2p01A5 HIS 184 HE1 -0.01 0.04 0.03 -0.04 7.75 7.77 2p01A5 SER 185 H -0.33 0.06 -0.36 -0.55 8.46 7.29 2p01A5 SER 185 HA -0.47 0.13 0.36 -0.75 4.49 3.76 2p01A5 SER 185 HB2 -0.40 0.09 0.05 -0.04 3.95 3.64 2p01A5 SER 185 HB3 -0.16 -0.10 0.03 -0.04 3.93 3.67 2p01A5 ARG 186 H -0.15 0.05 -0.29 -0.55 8.46 7.51 2p01A5 ARG 186 HA -0.09 0.08 0.40 -0.75 4.34 3.98 2p01A5 ARG 186 HB2 -0.32 0.11 0.16 -0.04 1.90 1.81 2p01A5 ARG 186 HB3 -0.16 0.06 0.02 -0.04 1.80 1.67 2p01A5 ARG 186 HG2 -0.07 0.06 0.03 -0.04 1.67 1.65 2p01A5 ARG 186 HG3 -0.09 -0.14 0.05 -0.04 1.67 1.45 2p01A5 ARG 186 HD2 -0.05 0.02 0.03 -0.04 3.22 3.18 2p01A5 ARG 186 HD3 -0.12 -0.06 0.07 -0.04 3.22 3.08 2p01A5 HIS 187 H -0.23 0.49 -0.13 -0.55 8.41 8.00 2p01A5 HIS 187 HA -0.02 0.05 0.45 -0.75 4.63 4.36 2p01A5 HIS 187 HB2 0.00 0.09 0.12 -0.04 3.26 3.43 2p01A5 HIS 187 HB3 -0.00 -0.01 0.04 -0.04 3.20 3.18 2p01A5 HIS 187 HD2 0.03 -0.03 -0.09 -0.04 6.97 6.83 2p01A5 HIS 187 HE1 0.01 0.03 -0.02 -0.04 7.75 7.73 2p01A5 THR 188 H -0.02 0.49 -0.27 -0.55 8.28 7.94 2p01A5 THR 188 HA 0.00 0.02 0.43 -0.75 4.39 4.09 2p01A5 THR 188 HB -0.11 0.12 0.20 -0.04 4.32 4.49 2p01A5 THR 188 HG23 -0.04 -0.02 -0.05 -0.04 1.22 1.08 2p01A5 GLU 189 H -0.05 0.55 -0.15 -0.55 8.60 8.41 2p01A5 GLU 189 HA -0.03 0.02 0.45 -0.75 4.29 3.97 2p01A5 GLU 189 HB2 -0.02 0.14 0.18 -0.04 2.09 2.35 2p01A5 GLU 189 HB3 -0.00 -0.03 0.04 -0.04 1.99 1.95 2p01A5 GLU 189 HG2 -0.03 -0.03 0.03 -0.04 2.34 2.27 2p01A5 GLU 189 HG3 -0.06 0.22 0.11 -0.04 2.34 2.57 2p01A5 LEU 190 H 0.00 0.47 -0.19 -0.55 8.37 8.11 2p01A5 LEU 190 HA -0.05 0.02 0.44 -0.75 4.35 4.01 2p01A5 LEU 190 HB2 0.07 0.10 0.24 -0.04 1.64 2.00 2p01A5 LEU 190 HB3 0.02 -0.02 0.01 -0.04 1.64 1.61 2p01A5 LEU 190 HG 0.02 -0.02 0.06 -0.04 1.64 1.65 2p01A5 LEU 190 HD13 0.11 0.02 -0.10 -0.04 0.93 0.92 2p01A5 LEU 190 HD23 0.03 -0.01 0.03 -0.04 0.89 0.90 2p01A5 LYS 191 H 0.00 0.65 -0.09 -0.55 8.42 8.43 2p01A5 LYS 191 HA -0.03 0.03 0.52 -0.75 4.32 4.08 2p01A5 LYS 191 HB2 -0.00 0.09 0.17 -0.04 1.87 2.09 2p01A5 LYS 191 HB3 -0.01 -0.04 0.02 -0.04 1.79 1.72 2p01A5 LYS 191 HG2 -0.02 -0.03 0.03 -0.04 1.46 1.40 2p01A5 LYS 191 HG3 0.00 0.08 0.08 -0.04 1.46 1.59 2p01A5 LYS 191 HD2 0.01 0.00 -0.05 -0.04 1.69 1.61 2p01A5 LYS 191 HD3 -0.01 -0.02 -0.00 -0.04 1.68 1.61 2p01A5 LYS 191 HE2 -0.05 -0.01 -0.01 -0.04 2.99 2.88 2p01A5 LYS 191 HE3 -0.03 -0.01 -0.02 -0.04 2.99 2.89 2p01A5 GLU 192 H -0.03 0.72 -0.06 -0.55 8.60 8.69 2p01A5 GLU 192 HA -0.03 0.02 0.47 -0.75 4.29 4.00 2p01A5 GLU 192 HB2 -0.03 0.06 0.20 -0.04 2.09 2.27 2p01A5 GLU 192 HB3 -0.03 -0.05 0.00 -0.04 1.99 1.88 2p01A5 GLU 192 HG2 -0.02 -0.05 0.04 -0.04 2.34 2.26 2p01A5 GLU 192 HG3 -0.02 0.11 0.12 -0.04 2.34 2.51 2p01A5 LYS 193 H -0.09 0.75 -0.04 -0.55 8.42 8.48 2p01A5 LYS 193 HA -0.12 0.05 0.52 -0.75 4.32 4.01 2p01A5 LYS 193 HB2 -0.47 -0.06 0.08 -0.04 1.87 1.38 2p01A5 LYS 193 HB3 -0.17 0.09 0.17 -0.04 1.79 1.85 2p01A5 LYS 193 HG2 -0.23 0.02 0.24 -0.04 1.46 1.45 2p01A5 LYS 193 HG3 -0.66 -0.07 -0.16 -0.04 1.46 0.53 2p01A5 LYS 193 HD2 -0.42 -0.05 -0.03 -0.04 1.69 1.14 2p01A5 LYS 193 HD3 -0.12 0.02 -0.30 -0.04 1.68 1.24 2p01A5 LYS 193 HE2 -0.15 0.03 0.06 -0.04 2.99 2.89 2p01A5 LYS 193 HE3 -0.32 -0.04 -0.01 -0.04 2.99 2.57 2p01A5 LEU 194 H -0.13 0.54 -0.11 -0.55 8.37 8.12 2p01A5 LEU 194 HA -0.12 0.03 0.50 -0.75 4.35 4.01 2p01A5 LEU 194 HB2 -0.06 -0.06 0.10 -0.04 1.64 1.58 2p01A5 LEU 194 HB3 -0.09 0.28 0.25 -0.04 1.64 2.04 2p01A5 LEU 194 HG -0.05 -0.01 0.17 -0.04 1.64 1.72 2p01A5 LEU 194 HD13 -0.03 -0.04 -0.28 -0.04 0.93 0.54 2p01A5 LEU 194 HD23 -0.03 0.00 -0.06 -0.04 0.89 0.77 2p01A5 ARG 195 H -0.05 0.59 -0.14 -0.55 8.46 8.31 2p01A5 ARG 195 HA -0.02 0.00 0.47 -0.75 4.34 4.04 2p01A5 ARG 195 HB2 -0.02 -0.08 0.08 -0.04 1.90 1.84 2p01A5 ARG 195 HB3 -0.03 0.09 0.20 -0.04 1.80 2.03 2p01A5 ARG 195 HG2 -0.02 -0.08 0.02 -0.04 1.67 1.55 2p01A5 ARG 195 HG3 -0.03 0.00 0.24 -0.04 1.67 1.84 2p01A5 ARG 195 HD2 -0.02 0.03 -0.19 -0.04 3.22 3.01 2p01A5 ARG 195 HD3 -0.01 -0.11 -0.38 -0.04 3.22 2.67 2p01A5 SER 196 H -0.04 0.42 -0.40 -0.55 8.46 7.89 2p01A5 SER 196 HA -0.01 -0.01 0.40 -0.75 4.49 4.13 2p01A5 SER 196 HB2 -0.04 0.13 0.22 -0.04 3.95 4.23 2p01A5 SER 196 HB3 -0.00 -0.09 0.04 -0.04 3.93 3.85 2p01A5 ILE 197 H -0.02 0.46 -0.32 -0.55 8.25 7.82 2p01A5 ILE 197 HA 0.18 0.01 0.45 -0.75 4.18 4.06 2p01A5 ILE 197 HB 0.01 0.20 0.23 -0.04 1.89 2.29 2p01A5 ILE 197 HG12 0.13 -0.08 0.06 -0.04 1.49 1.56 2p01A5 ILE 197 HG13 -0.02 0.25 0.16 -0.04 1.21 1.55 2p01A5 ILE 197 HG23 0.13 -0.03 -0.04 -0.04 0.93 0.95 2p01A5 ILE 197 HD13 -0.04 -0.03 -0.03 -0.04 0.88 0.74 2p01A5 ASN 198 H -0.01 0.57 -0.13 -0.55 8.53 8.41 2p01A5 ASN 198 HA -0.02 -0.01 0.44 -0.75 4.76 4.42 2p01A5 ASN 198 HB2 -0.02 0.03 0.13 -0.04 2.88 2.99 2p01A5 ASN 198 HB3 -0.02 0.12 0.21 -0.04 2.79 3.07 2p01A5 ASN 198 HD21 -0.01 0.01 0.01 -0.04 7.03 7.00 2p01A5 ASN 198 HD22 -0.01 -0.01 -0.01 -0.04 7.74 7.66 2p01A5 GLN 199 H -0.01 0.80 -0.12 -0.55 8.47 8.60 2p01A5 GLN 199 HA -0.01 -0.01 0.43 -0.75 4.36 4.02 2p01A5 GLN 199 HB2 -0.00 0.14 0.17 -0.04 2.15 2.42 2p01A5 GLN 199 HB3 -0.00 -0.07 0.03 -0.04 2.02 1.94 2p01A5 GLN 199 HG2 -0.01 -0.06 0.02 -0.04 2.40 2.31 2p01A5 GLN 199 HG3 -0.01 0.19 0.06 -0.04 2.39 2.59 2p01A5 GLN 199 HE21 -0.01 -0.01 -0.04 -0.04 6.97 6.86 2p01A5 GLN 199 HE22 -0.01 -0.02 -0.05 -0.04 7.69 7.57 2p01A5 GLY 200 H 0.00 0.49 -0.35 -0.55 8.43 8.02 2p01A5 GLY 200 HA2 -0.01 -0.00 0.43 -0.51 4.01 3.92 2p01A5 GLY 200 HA3 0.00 0.09 0.35 -0.51 4.01 3.94 2p01A5 LEU 201 H -0.09 0.61 -0.07 -0.55 8.37 8.28 2p01A5 LEU 201 HA -0.16 0.00 0.45 -0.75 4.35 3.89 2p01A5 LEU 201 HB2 -0.06 0.15 0.21 -0.04 1.64 1.90 2p01A5 LEU 201 HB3 -0.05 -0.04 0.02 -0.04 1.64 1.53 2p01A5 LEU 201 HG -0.25 0.06 0.07 -0.04 1.64 1.48 2p01A5 LEU 201 HD13 -0.06 -0.01 -0.01 -0.04 0.93 0.82 2p01A5 LEU 201 HD23 -0.17 -0.02 0.02 -0.04 0.89 0.68 2p01A5 ASP 202 H -0.03 0.57 -0.17 -0.55 8.40 8.22 2p01A5 ASP 202 HA -0.01 0.01 0.42 -0.75 4.63 4.30 2p01A5 ASP 202 HB2 -0.01 0.12 0.19 -0.04 2.71 2.97 2p01A5 ASP 202 HB3 -0.01 -0.04 0.01 -0.04 2.70 2.62 2p01A5 ARG 203 H -0.02 0.54 -0.32 -0.55 8.46 8.10 2p01A5 ARG 203 HA 0.00 -0.01 0.45 -0.75 4.34 4.03 2p01A5 ARG 203 HB2 -0.00 0.03 0.12 -0.04 1.90 2.01 2p01A5 ARG 203 HB3 -0.02 0.20 0.25 -0.04 1.80 2.19 2p01A5 ARG 203 HG2 0.00 -0.01 -0.01 -0.04 1.67 1.61 2p01A5 ARG 203 HG3 0.00 -0.01 -0.22 -0.04 1.67 1.40 2p01A5 ARG 203 HD2 0.01 -0.14 0.13 -0.04 3.22 3.18 2p01A5 ARG 203 HD3 0.00 0.02 0.06 -0.04 3.22 3.26 2p01A5 LEU 204 H -0.04 0.59 -0.14 -0.55 8.37 8.23 2p01A5 LEU 204 HA -0.00 -0.01 0.41 -0.75 4.35 4.00 2p01A5 LEU 204 HB2 -0.06 0.22 0.22 -0.04 1.64 1.98 2p01A5 LEU 204 HB3 -0.01 -0.08 0.04 -0.04 1.64 1.55 2p01A5 LEU 204 HG -0.12 0.24 0.09 -0.04 1.64 1.80 2p01A5 LEU 204 HD13 -0.45 -0.03 -0.05 -0.04 0.93 0.36 2p01A5 LEU 204 HD23 -0.09 -0.02 0.01 -0.04 0.89 0.75 2p01A5 ARG 205 H 0.02 0.47 -0.34 -0.55 8.46 8.06 2p01A5 ARG 205 HA 0.14 0.01 0.43 -0.75 4.34 4.17 2p01A5 ARG 205 HB2 0.03 0.22 0.20 -0.04 1.90 2.31 2p01A5 ARG 205 HB3 0.07 -0.04 0.02 -0.04 1.80 1.80 2p01A5 ARG 205 HG2 0.09 -0.06 0.02 -0.04 1.67 1.69 2p01A5 ARG 205 HG3 0.04 0.19 0.06 -0.04 1.67 1.92 2p01A5 ARG 205 HD2 0.01 -0.01 -0.01 -0.04 3.22 3.17 2p01A5 ARG 205 HD3 0.02 -0.01 -0.00 -0.04 3.22 3.18 2p01A5 ARG 206 H 0.04 0.53 -0.13 -0.55 8.46 8.35 2p01A5 ARG 206 HA 0.08 0.04 0.41 -0.75 4.34 4.11 2p01A5 ARG 206 HB2 0.02 0.13 0.20 -0.04 1.90 2.20 2p01A5 ARG 206 HB3 0.03 -0.06 0.01 -0.04 1.80 1.74 2p01A5 ARG 206 HG2 0.01 -0.04 0.01 -0.04 1.67 1.61 2p01A5 ARG 206 HG3 0.01 0.21 0.07 -0.04 1.67 1.92 2p01A5 ARG 206 HD2 0.00 -0.01 -0.05 -0.04 3.22 3.13 2p01A5 ARG 206 HD3 0.00 -0.03 -0.02 -0.04 3.22 3.14 2p01A5 VAL 207 H 0.04 0.69 -0.18 -0.55 8.24 8.24 2p01A5 VAL 207 HA 0.02 -0.02 0.51 -0.75 4.13 3.88 2p01A5 VAL 207 HB 0.02 0.14 0.22 -0.04 2.12 2.46 2p01A5 VAL 207 HG13 0.00 0.00 -0.12 -0.04 0.97 0.82 2p01A5 VAL 207 HG23 0.02 -0.00 0.02 -0.04 0.95 0.95 2p01A5 SER 208 H 0.04 0.56 -0.13 -0.55 8.46 8.38 2p01A5 SER 208 HA -0.10 0.07 0.37 -0.75 4.49 4.07 2p01A5 SER 208 HB2 -0.10 -0.04 0.03 -0.04 3.95 3.80 2p01A5 SER 208 HB3 0.01 -0.02 0.10 -0.04 3.93 3.98 2p01A5 HIS 209 H 0.12 0.28 -0.42 -0.55 8.41 7.85 2p01A5 HIS 209 HA 0.03 0.13 0.73 -0.75 4.63 4.76 2p01A5 HIS 209 HB2 0.01 0.13 0.12 -0.04 3.26 3.49 2p01A5 HIS 209 HB3 0.01 -0.06 0.05 -0.04 3.20 3.16 2p01A5 HIS 209 HD2 0.01 -0.01 0.04 -0.04 6.97 6.96 2p01A5 HIS 209 HE1 0.03 -0.06 -0.03 -0.04 7.75 7.65 2p01A5 GLN 210 H 0.07 0.14 -0.17 -0.55 8.47 7.96 2p01A5 GLN 210 HA 0.06 0.12 0.86 -0.75 4.36 4.65 2p01A5 GLN 210 HB2 0.05 -0.05 -0.09 -0.04 2.15 2.03 2p01A5 GLN 210 HB3 0.04 0.04 0.02 -0.04 2.02 2.08 2p01A5 GLN 210 HG2 0.03 -0.04 -0.10 -0.04 2.40 2.25 2p01A5 GLN 210 HG3 0.03 -0.00 0.10 -0.04 2.39 2.48 2p01A5 GLN 210 HE21 0.01 -0.00 0.01 -0.04 6.97 6.95 2p01A5 GLN 210 HE22 0.01 -0.03 -0.01 -0.04 7.69 7.61 2p01A5 GLY 211 H 0.03 0.05 0.43 -0.55 8.43 8.39 2p01A5 GLY 211 HA2 0.02 0.01 0.38 -0.51 4.01 3.90 2p01A5 GLY 211 HA3 -0.00 -0.11 0.49 -0.51 4.01 3.88 2p01A5 TYR 212 H 0.11 0.55 -1.24 -0.55 8.29 7.16 2p01A5 TYR 212 HA -0.17 0.08 0.31 -0.75 4.56 4.03 2p01A5 TYR 212 HB2 -0.06 0.07 -0.07 -0.04 3.06 2.96 2p01A5 TYR 212 HB3 -0.05 -0.13 0.04 -0.04 2.98 2.80 2p01A5 TYR 212 HD2 -0.07 -0.05 -0.13 -0.04 7.15 6.86 2p01A5 TYR 212 HE2 -0.05 -0.06 0.11 -0.04 6.85 6.80 2p01A5 SER 213 H 0.11 0.20 -0.19 -0.55 8.46 8.03 2p01A5 SER 213 HA 0.05 0.10 0.32 -0.75 4.49 4.20 2p01A5 SER 213 HB2 0.07 0.13 0.23 -0.04 3.95 4.34 2p01A5 SER 213 HB3 0.25 -0.01 -0.30 -0.04 3.93 3.83 2p01A5 THR 214 H 0.09 0.16 0.09 -0.55 8.28 8.07 2p01A5 THR 214 HA 0.02 -0.01 0.32 -0.75 4.39 3.96 2p01A5 THR 214 HB 0.00 -0.01 0.18 -0.04 4.32 4.45 2p01A5 THR 214 HG23 0.02 -0.03 0.03 -0.04 1.22 1.20 2p01A5 GLU 215 H 0.02 -0.15 -0.88 -0.55 8.60 7.05 2p01A5 GLU 215 HA -0.02 -0.01 0.22 -0.75 4.29 3.72 2p01A5 GLU 215 HB2 -0.02 0.17 -0.33 -0.04 2.09 1.87 2p01A5 GLU 215 HB3 -0.05 -0.26 0.14 -0.04 1.99 1.78 2p01A5 GLU 215 HG2 0.01 0.01 0.01 -0.04 2.34 2.33 2p01A5 GLU 215 HG3 0.01 -0.05 -0.13 -0.04 2.34 2.13 2p01A5 ALA 216 H -0.15 -0.02 0.14 -0.55 8.40 7.82 2p01A5 ALA 216 HA -0.18 0.28 0.86 -0.75 4.34 4.55 2p01A5 ALA 216 HB3 -0.58 -0.03 0.14 -0.04 1.41 0.89 2p01A5 GLU 217 H -0.38 0.06 0.17 -0.55 8.60 7.91 2p01A5 GLU 217 HA -0.01 0.03 0.30 -0.75 4.29 3.85 2p01A5 GLU 217 HB2 -0.05 0.04 -0.36 -0.04 2.09 1.67 2p01A5 GLU 217 HB3 -0.05 0.11 0.28 -0.04 1.99 2.29 2p01A5 GLU 217 HG2 0.01 0.01 0.01 -0.04 2.34 2.33 2p01A5 GLU 217 HG3 0.04 0.02 0.13 -0.04 2.34 2.48 2p01A5 PHE 218 H -0.75 -0.06 -0.24 -0.55 8.34 6.74 2p01A5 PHE 218 HA -0.03 -0.02 0.29 -0.75 4.62 4.11 2p01A5 PHE 218 HB2 0.03 0.07 -0.03 -0.04 3.15 3.18 2p01A5 PHE 218 HB3 -0.01 0.03 0.05 -0.04 3.06 3.08 2p01A5 PHE 218 HD2 0.00 0.03 -0.03 -0.04 7.28 7.24 2p01A5 PHE 218 HE2 0.01 0.02 0.01 -0.04 7.38 7.38 2p01A5 PHE 218 HZ 0.01 0.01 0.03 -0.04 7.32 7.33 2p01A5 GLU 219 H -0.00 -0.04 -0.01 -0.55 8.60 8.00 2p01A5 GLU 219 HA 0.03 0.03 0.39 -0.75 4.29 3.98 2p01A5 GLU 219 HB2 0.06 0.39 -0.06 -0.04 2.09 2.44 2p01A5 GLU 219 HB3 0.01 -0.04 -0.17 -0.04 1.99 1.75 2p01A5 GLU 219 HG2 0.01 -0.07 -0.08 -0.04 2.34 2.17 2p01A5 GLU 219 HG3 0.03 -0.03 0.12 -0.04 2.34 2.42 2p01A5 GLU 220 H -0.03 -0.01 0.08 -0.55 8.60 8.10 2p01A5 GLU 220 HA -0.03 0.09 0.44 -0.75 4.29 4.04 2p01A5 GLU 220 HB2 -0.04 0.05 0.16 -0.04 2.09 2.22 2p01A5 GLU 220 HB3 -0.05 -0.00 0.10 -0.04 1.99 2.00 2p01A5 GLU 220 HG2 -0.02 0.00 0.07 -0.04 2.34 2.35 2p01A5 GLU 220 HG3 -0.03 0.02 0.02 -0.04 2.34 2.31 2p01A5 PRO 221 HA -0.07 0.03 0.27 -0.51 4.44 4.16 2p01A5 PRO 221 HB2 -0.03 0.05 0.07 -0.04 2.28 2.33 2p01A5 PRO 221 HB3 -0.03 -0.01 0.16 -0.04 2.02 2.11 2p01A5 PRO 221 HG2 -0.02 0.05 0.08 -0.04 2.03 2.10 2p01A5 PRO 221 HG3 -0.02 0.08 0.11 -0.04 2.03 2.16 2p01A5 PRO 221 HD2 -0.02 0.09 0.18 -0.04 3.68 3.88 2p01A5 PRO 221 HD3 -0.02 0.26 0.26 -0.04 3.65 4.11 2p01A5 ARG 222 H -0.05 0.16 0.09 -0.55 8.46 8.10 2p01A5 ARG 222 HA -0.03 0.08 0.37 -0.75 4.34 4.00 2p01A5 ARG 222 HB2 -0.06 0.32 0.59 -0.04 1.90 2.71 2p01A5 ARG 222 HB3 -0.04 0.02 0.08 -0.04 1.80 1.83 2p01A5 ARG 222 HG2 -0.02 -0.00 -0.08 -0.04 1.67 1.53 2p01A5 ARG 222 HG3 -0.03 -0.12 -0.64 -0.04 1.67 0.83 2p01A5 ARG 222 HD2 -0.02 -0.00 -0.10 -0.04 3.22 3.06 2p01A5 ARG 222 HD3 -0.03 0.08 -0.10 -0.04 3.22 3.13 2p01A5 VAL 223 H -0.12 0.52 0.11 -0.55 8.24 8.20 2p01A5 VAL 223 HA -0.15 0.12 0.41 -0.75 4.13 3.75 2p01A5 VAL 223 HB -0.14 0.05 0.12 -0.04 2.12 2.11 2p01A5 VAL 223 HG13 -0.28 0.07 0.04 -0.04 0.97 0.76 2p01A5 VAL 223 HG23 -0.42 0.01 -0.09 -0.04 0.95 0.40 2p01A5 ILE 224 H -0.34 0.27 -0.22 -0.55 8.25 7.42 2p01A5 ILE 224 HA -0.90 0.12 0.34 -0.75 4.18 2.99 2p01A5 ILE 224 HB -0.30 0.08 -0.03 -0.04 1.89 1.60 2p01A5 ILE 224 HG12 -0.06 0.05 -0.07 -0.04 1.49 1.37 2p01A5 ILE 224 HG13 -0.09 -0.03 0.02 -0.04 1.21 1.08 2p01A5 ILE 224 HG23 -0.08 -0.04 -0.23 -0.04 0.93 0.54 2p01A5 ILE 224 HD13 -0.38 0.01 -0.08 -0.04 0.88 0.39 2p01A5 ASP 225 H -0.13 -0.01 -0.65 -0.55 8.40 7.06 2p01A5 ASP 225 HA 0.02 0.09 0.36 -0.75 4.63 4.34 2p01A5 ASP 225 HB2 -0.03 -0.19 0.11 -0.04 2.71 2.56 2p01A5 ASP 225 HB3 -0.02 0.22 0.11 -0.04 2.70 2.97 2p01A5 LEU 226 H -0.04 0.47 -0.29 -0.55 8.37 7.97 2p01A5 LEU 226 HA 0.09 0.01 0.40 -0.75 4.35 4.10 2p01A5 LEU 226 HB2 0.07 0.21 0.21 -0.04 1.64 2.09 2p01A5 LEU 226 HB3 0.20 0.01 -0.03 -0.04 1.64 1.78 2p01A5 LEU 226 HG 0.03 -0.02 0.04 -0.04 1.64 1.65 2p01A5 LEU 226 HD13 0.04 -0.01 -0.05 -0.04 0.93 0.87 2p01A5 LEU 226 HD23 0.06 -0.01 0.00 -0.04 0.89 0.91 2p01A5 TRP 227 H 0.18 0.35 -0.32 -0.55 7.97 7.64 2p01A5 TRP 227 HA 0.13 0.05 0.35 -0.75 4.62 4.39 2p01A5 TRP 227 HB2 0.06 0.19 0.13 -0.04 3.23 3.58 2p01A5 TRP 227 HB3 0.12 -0.03 -0.02 -0.04 3.23 3.26 2p01A5 TRP 227 HD1 0.04 -0.09 -0.16 -0.04 7.22 6.97 2p01A5 TRP 227 HE1 0.00 -0.00 -0.12 -0.04 10.20 10.04 2p01A5 TRP 227 HE3 -0.04 0.01 -0.04 -0.04 7.59 7.48 2p01A5 TRP 227 HZ2 -0.07 0.08 0.02 -0.04 7.44 7.43 2p01A5 TRP 227 HZ3 -0.23 -0.02 -0.07 -0.04 7.13 6.76 2p01A5 TRP 227 HH2 -0.21 -0.01 -0.14 -0.04 7.19 6.79 2p01A5 ASP 228 H 0.24 0.38 -0.32 -0.55 8.40 8.16 2p01A5 ASP 228 HA 0.27 0.04 0.37 -0.75 4.63 4.55 2p01A5 ASP 228 HB2 0.11 0.15 0.18 -0.04 2.71 3.10 2p01A5 ASP 228 HB3 0.10 -0.05 -0.02 -0.04 2.70 2.70 2p01A5 LEU 229 H 0.13 0.44 -0.28 -0.55 8.37 8.11 2p01A5 LEU 229 HA 0.04 0.01 0.44 -0.75 4.35 4.09 2p01A5 LEU 229 HB2 0.08 0.24 0.24 -0.04 1.64 2.15 2p01A5 LEU 229 HB3 0.03 -0.06 0.00 -0.04 1.64 1.57 2p01A5 LEU 229 HG 0.05 0.02 0.02 -0.04 1.64 1.70 2p01A5 LEU 229 HD13 0.04 -0.02 -0.08 -0.04 0.93 0.83 2p01A5 LEU 229 HD23 0.02 -0.01 0.01 -0.04 0.89 0.87 2p01A5 ALA 230 H 0.10 0.57 -0.21 -0.55 8.40 8.31 2p01A5 ALA 230 HA -0.12 -0.08 0.31 -0.75 4.34 3.70 2p01A5 ALA 230 HB3 -0.06 0.06 0.09 -0.04 1.41 1.46 2p01A5 GLN 231 H -0.05 0.20 -1.58 -0.55 8.47 6.50 2p01A5 GLN 231 HA -0.48 0.03 0.37 -0.75 4.36 3.53 2p01A5 GLN 231 HB2 0.07 -0.11 0.02 -0.04 2.15 2.10 2p01A5 GLN 231 HB3 0.16 0.13 0.14 -0.04 2.02 2.41 2p01A5 GLN 231 HG2 0.01 0.12 0.21 -0.04 2.40 2.70 2p01A5 GLN 231 HG3 -0.01 -0.09 -0.05 -0.04 2.39 2.20 2p01A5 GLN 231 HE21 0.11 0.69 0.13 -0.04 6.97 7.86 2p01A5 GLN 231 HE22 0.07 -0.16 -0.03 -0.04 7.69 7.53 2p01A5 SER 232 H -0.09 0.37 -0.01 -0.55 8.46 8.18 2p01A5 SER 232 HA -0.11 0.11 0.50 -0.75 4.49 4.24 2p01A5 SER 232 HB2 -0.04 -0.03 0.13 -0.04 3.95 3.98 2p01A5 SER 232 HB3 -0.03 0.03 -0.28 -0.04 3.93 3.61 2p01A5 ALA 233 H -0.11 0.19 0.00 -0.55 8.40 7.94 2p01A5 ALA 233 HA -0.03 0.05 0.43 -0.75 4.34 4.03 2p01A5 ALA 233 HB3 -0.04 0.03 -0.04 -0.04 1.41 1.32 2p01A5 ASN 234 H -0.10 0.07 -0.27 -0.55 8.53 7.68 2p01A5 ASN 234 HA -0.07 0.09 0.29 -0.75 4.76 4.32 2p01A5 ASN 234 HB2 -0.04 0.22 0.02 -0.04 2.88 3.05 2p01A5 ASN 234 HB3 -0.05 -0.03 -0.05 -0.04 2.79 2.62 2p01A5 ASN 234 HD21 -0.03 0.02 0.06 -0.04 7.03 7.05 2p01A5 ASN 234 HD22 -0.03 -0.04 0.01 -0.04 7.74 7.64 2p01A5 LEU 235 H -0.10 0.23 -0.02 -0.55 8.37 7.93 2p01A5 LEU 235 HA -0.13 0.19 0.80 -0.75 4.35 4.46 2p01A5 LEU 235 HB2 -0.17 0.07 -0.08 -0.04 1.64 1.42 2p01A5 LEU 235 HB3 -0.12 -0.09 -0.03 -0.04 1.64 1.36 2p01A5 LEU 235 HG -0.15 -0.22 -0.53 -0.04 1.64 0.70 2p01A5 LEU 235 HD13 -0.28 0.07 -0.06 -0.04 0.93 0.62 2p01A5 LEU 235 HD23 -0.10 0.07 -0.00 -0.04 0.89 0.82 2p01A5 THR 236 H -0.10 0.14 0.09 -0.55 8.28 7.85 2p01A5 THR 236 HA -0.07 0.20 0.54 -0.75 4.39 4.31 2p01A5 THR 236 HB -0.04 -0.13 0.18 -0.04 4.32 4.29 2p01A5 THR 236 HG23 -0.11 0.07 0.04 -0.04 1.22 1.18 2p01A5 ASP 237 H -0.03 0.19 0.19 -0.55 8.40 8.20 2p01A5 ASP 237 HA -0.01 0.20 0.46 -0.75 4.63 4.52 2p01A5 ASP 237 HB2 -0.00 0.06 0.06 -0.04 2.71 2.78 2p01A5 ASP 237 HB3 -0.01 0.08 0.15 -0.04 2.70 2.89 2p01A5 LYS 238 H -0.01 0.10 -0.02 -0.55 8.42 7.95 2p01A5 LYS 238 HA 0.01 0.12 0.43 -0.75 4.32 4.13 2p01A5 LYS 238 HB2 -0.00 -0.04 0.11 -0.04 1.87 1.90 2p01A5 LYS 238 HB3 0.00 0.06 0.01 -0.04 1.79 1.83 2p01A5 LYS 238 HG2 0.00 0.05 0.06 -0.04 1.46 1.53 2p01A5 LYS 238 HG3 0.00 -0.05 0.09 -0.04 1.46 1.46 2p01A5 LYS 238 HD2 0.00 0.01 0.05 -0.04 1.69 1.71 2p01A5 LYS 238 HD3 0.00 0.03 0.03 -0.04 1.68 1.70 2p01A5 LYS 238 HE2 0.00 0.02 0.02 -0.04 2.99 2.99 2p01A5 LYS 238 HE3 0.00 -0.01 0.04 -0.04 2.99 2.98 2p01A5 GLU 239 H -0.01 0.03 -0.31 -0.55 8.60 7.77 2p01A5 GLU 239 HA 0.02 0.07 0.38 -0.75 4.29 4.00 2p01A5 GLU 239 HB2 -0.04 0.00 0.02 -0.04 2.09 2.02 2p01A5 GLU 239 HB3 -0.02 0.12 -0.01 -0.04 1.99 2.03 2p01A5 GLU 239 HG2 -0.01 -0.02 -0.12 -0.04 2.34 2.16 2p01A5 GLU 239 HG3 -0.02 -0.13 -0.07 -0.04 2.34 2.08 2p01A5 LEU 240 H -0.00 0.31 -0.47 -0.55 8.37 7.66 2p01A5 LEU 240 HA 0.03 0.11 0.39 -0.75 4.35 4.13 2p01A5 LEU 240 HB2 -0.02 0.16 0.18 -0.04 1.64 1.93 2p01A5 LEU 240 HB3 0.04 -0.03 0.02 -0.04 1.64 1.63 2p01A5 LEU 240 HG -0.02 -0.05 0.05 -0.04 1.64 1.58 2p01A5 LEU 240 HD13 0.07 -0.03 0.07 -0.04 0.93 1.00 2p01A5 LEU 240 HD23 -0.19 -0.01 -0.03 -0.04 0.89 0.62 2p01A5 GLU 241 H 0.05 0.45 -0.16 -0.55 8.60 8.39 2p01A5 GLU 241 HA 0.07 0.04 0.46 -0.75 4.29 4.10 2p01A5 GLU 241 HB2 0.03 0.03 0.14 -0.04 2.09 2.25 2p01A5 GLU 241 HB3 0.03 0.11 0.20 -0.04 1.99 2.28 2p01A5 GLU 241 HG2 0.02 -0.01 0.00 -0.04 2.34 2.31 2p01A5 GLU 241 HG3 0.02 -0.03 -0.20 -0.04 2.34 2.09 2p01A5 ALA 242 H 0.05 0.49 -0.09 -0.55 8.40 8.30 2p01A5 ALA 242 HA 0.02 0.01 0.43 -0.75 4.34 4.04 2p01A5 ALA 242 HB3 0.03 0.03 0.10 -0.04 1.41 1.52 2p01A5 PHE 243 H 0.20 0.63 -0.20 -0.55 8.34 8.42 2p01A5 PHE 243 HA -0.03 -0.02 0.45 -0.75 4.62 4.27 2p01A5 PHE 243 HB2 -0.05 -0.05 0.06 -0.04 3.15 3.08 2p01A5 PHE 243 HB3 -0.02 0.20 0.17 -0.04 3.06 3.36 2p01A5 PHE 243 HD2 -0.05 0.07 -0.09 -0.04 7.28 7.17 2p01A5 PHE 243 HE2 0.02 0.01 -0.07 -0.04 7.38 7.30 2p01A5 PHE 243 HZ 0.06 0.02 -0.14 -0.04 7.32 7.22 2p01A5 ARG 244 H 0.19 0.43 -0.36 -0.55 8.46 8.18 2p01A5 ARG 244 HA -0.16 0.04 0.44 -0.75 4.34 3.91 2p01A5 ARG 244 HB2 0.17 0.18 0.17 -0.04 1.90 2.38 2p01A5 ARG 244 HB3 0.06 0.03 0.27 -0.04 1.80 2.11 2p01A5 ARG 244 HG2 0.01 -0.05 -0.22 -0.04 1.67 1.37 2p01A5 ARG 244 HG3 0.07 -0.00 0.03 -0.04 1.67 1.73 2p01A5 ARG 244 HD2 0.04 -0.03 -0.02 -0.04 3.22 3.17 2p01A5 ARG 244 HD3 0.07 0.01 -0.01 -0.04 3.22 3.25 2p01A5 GLU 245 H -0.01 0.61 0.05 -0.55 8.60 8.72 2p01A5 GLU 245 HA 0.01 0.03 0.44 -0.75 4.29 4.02 2p01A5 GLU 245 HB2 0.04 -0.04 0.06 -0.04 2.09 2.10 2p01A5 GLU 245 HB3 0.01 0.02 0.13 -0.04 1.99 2.11 2p01A5 GLU 245 HG2 -0.01 0.17 0.22 -0.04 2.34 2.68 2p01A5 GLU 245 HG3 -0.05 0.01 -0.14 -0.04 2.34 2.12 2p01A5 GLU 246 H -0.07 0.54 -0.21 -0.55 8.60 8.31 2p01A5 GLU 246 HA -0.12 -0.01 0.40 -0.75 4.29 3.81 2p01A5 GLU 246 HB2 -0.04 0.17 0.16 -0.04 2.09 2.34 2p01A5 GLU 246 HB3 -0.09 0.00 0.18 -0.04 1.99 2.04 2p01A5 GLU 246 HG2 0.06 0.02 -0.04 -0.04 2.34 2.33 2p01A5 GLU 246 HG3 0.26 -0.06 -0.19 -0.04 2.34 2.31 2p01A5 LEU 247 H -0.29 0.63 -0.12 -0.55 8.37 8.05 2p01A5 LEU 247 HA 0.12 -0.04 0.43 -0.75 4.35 4.10 2p01A5 LEU 247 HB2 -0.72 0.34 0.19 -0.04 1.64 1.40 2p01A5 LEU 247 HB3 -0.18 -0.08 -0.02 -0.04 1.64 1.32 2p01A5 LEU 247 HG -0.65 0.08 -0.01 -0.04 1.64 1.02 2p01A5 LEU 247 HD13 0.00 -0.04 -0.01 -0.04 0.93 0.85 2p01A5 LEU 247 HD23 -0.32 0.05 0.02 -0.04 0.89 0.60 2p01A5 LYS 248 H -0.10 0.45 -0.43 -0.55 8.42 7.79 2p01A5 LYS 248 HA -0.03 -0.01 0.39 -0.75 4.32 3.91 2p01A5 LYS 248 HB2 -0.04 0.18 0.15 -0.04 1.87 2.11 2p01A5 LYS 248 HB3 -0.00 0.13 0.19 -0.04 1.79 2.07 2p01A5 LYS 248 HG2 -0.13 -0.04 -0.15 -0.04 1.46 1.10 2p01A5 LYS 248 HG3 -0.05 -0.04 0.05 -0.04 1.46 1.38 2p01A5 LYS 248 HD2 -0.02 0.01 -0.03 -0.04 1.69 1.61 2p01A5 LYS 248 HD3 -0.04 -0.01 -0.01 -0.04 1.68 1.58 2p01A5 LYS 248 HE2 -0.09 -0.02 -0.03 -0.04 2.99 2.81 2p01A5 LYS 248 HE3 -0.04 -0.01 -0.01 -0.04 2.99 2.88 2p01A5 HIS 249 H 0.06 0.59 -0.20 -0.55 8.41 8.31 2p01A5 HIS 249 HA -0.11 0.02 0.48 -0.75 4.63 4.27 2p01A5 HIS 249 HB2 -0.32 0.21 0.22 -0.04 3.26 3.33 2p01A5 HIS 249 HB3 -0.37 -0.06 -0.01 -0.04 3.20 2.72 2p01A5 HIS 249 HD2 -0.10 0.19 0.05 -0.04 6.97 7.06 2p01A5 HIS 249 HE1 -0.06 -0.02 -0.01 -0.04 7.75 7.61 2p01A5 PHE 250 H -0.04 0.52 -0.08 -0.55 8.34 8.20 2p01A5 PHE 250 HA -0.02 0.00 0.42 -0.75 4.62 4.27 2p01A5 PHE 250 HB2 -0.01 0.09 0.21 -0.04 3.15 3.40 2p01A5 PHE 250 HB3 0.10 -0.04 -0.02 -0.04 3.06 3.07 2p01A5 PHE 250 HD2 -0.16 -0.00 -0.11 -0.04 7.28 6.97 2p01A5 PHE 250 HE2 -0.84 -0.01 -0.05 -0.04 7.38 6.44 2p01A5 PHE 250 HZ -0.64 -0.01 -0.02 -0.04 7.32 6.61 2p01A5 GLU 251 H 0.16 0.84 -0.02 -0.55 8.60 9.04 2p01A5 GLU 251 HA 0.13 -0.01 0.39 -0.75 4.29 4.05 2p01A5 GLU 251 HB2 0.06 -0.06 0.05 -0.04 2.09 2.10 2p01A5 GLU 251 HB3 0.10 0.06 0.10 -0.04 1.99 2.21 2p01A5 GLU 251 HG2 0.02 -0.05 0.02 -0.04 2.34 2.29 2p01A5 GLU 251 HG3 0.02 0.19 0.17 -0.04 2.34 2.68 2p01A5 ALA 252 H 0.01 0.44 -0.41 -0.55 8.40 7.90 2p01A5 ALA 252 HA 0.00 -0.01 0.47 -0.75 4.34 4.05 2p01A5 ALA 252 HB3 -0.09 0.07 0.14 -0.04 1.41 1.49 2p01A5 LYS 253 H 0.04 0.56 -0.18 -0.55 8.42 8.28 2p01A5 LYS 253 HA 0.07 -0.01 0.45 -0.75 4.32 4.08 2p01A5 LYS 253 HB2 0.07 0.17 0.28 -0.04 1.87 2.34 2p01A5 LYS 253 HB3 0.08 -0.05 -0.01 -0.04 1.79 1.77 2p01A5 LYS 253 HG2 -0.00 -0.04 0.01 -0.04 1.46 1.39 2p01A5 LYS 253 HG3 0.04 -0.06 0.06 -0.04 1.46 1.46 2p01A5 LYS 253 HD2 -0.01 -0.06 0.02 -0.04 1.69 1.60 2p01A5 LYS 253 HD3 -0.08 0.08 -0.10 -0.04 1.68 1.54 2p01A5 LYS 253 HE2 -0.03 -0.02 -0.02 -0.04 2.99 2.87 2p01A5 LYS 253 HE3 0.02 -0.04 -0.01 -0.04 2.99 2.93 2p01A5 ILE 254 H 0.11 0.60 -0.04 -0.55 8.25 8.37 2p01A5 ILE 254 HA 0.16 0.02 0.44 -0.75 4.18 4.04 2p01A5 ILE 254 HB 0.10 -0.01 0.09 -0.04 1.89 2.03 2p01A5 ILE 254 HG12 0.09 0.01 -0.07 -0.04 1.49 1.47 2p01A5 ILE 254 HG13 0.15 -0.08 0.03 -0.04 1.21 1.26 2p01A5 ILE 254 HG23 0.09 0.04 0.12 -0.04 0.93 1.14 2p01A5 ILE 254 HD13 0.10 0.03 0.02 -0.04 0.88 1.00 2p01A5 GLU 255 H 0.08 0.50 -0.25 -0.55 8.60 8.38 2p01A5 GLU 255 HA 0.05 0.02 0.41 -0.75 4.29 4.02 2p01A5 GLU 255 HB2 0.03 0.10 0.16 -0.04 2.09 2.34 2p01A5 GLU 255 HB3 0.03 0.08 0.23 -0.04 1.99 2.28 2p01A5 GLU 255 HG2 -0.02 -0.03 -0.21 -0.04 2.34 2.05 2p01A5 GLU 255 HG3 -0.00 -0.03 0.04 -0.04 2.34 2.30 2p01A5 LYS 256 H 0.08 0.69 -0.03 -0.55 8.42 8.60 2p01A5 LYS 256 HA 0.01 -0.01 0.45 -0.75 4.32 4.02 2p01A5 LYS 256 HB2 0.17 0.12 0.17 -0.04 1.87 2.29 2p01A5 LYS 256 HB3 0.21 -0.07 0.04 -0.04 1.79 1.93 2p01A5 LYS 256 HG2 0.03 -0.07 0.06 -0.04 1.46 1.43 2p01A5 LYS 256 HG3 0.04 0.17 0.15 -0.04 1.46 1.78 2p01A5 LYS 256 HD2 0.03 -0.02 0.00 -0.04 1.69 1.66 2p01A5 LYS 256 HD3 0.09 0.02 -0.01 -0.04 1.68 1.73 2p01A5 LYS 256 HE2 0.21 -0.01 -0.00 -0.04 2.99 3.15 2p01A5 LYS 256 HE3 0.07 -0.03 0.01 -0.04 2.99 3.01 2p01A5 HIS 257 H 0.24 0.65 -0.20 -0.55 8.41 8.56 2p01A5 HIS 257 HA 0.28 -0.04 0.39 -0.75 4.63 4.51 2p01A5 HIS 257 HB2 0.11 0.07 0.14 -0.04 3.26 3.54 2p01A5 HIS 257 HB3 0.10 0.11 0.23 -0.04 3.20 3.59 2p01A5 HIS 257 HD2 0.07 -0.02 0.07 -0.04 6.97 7.04 2p01A5 HIS 257 HE1 0.08 -0.03 -0.02 -0.04 7.75 7.74 2p01A5 ASN 258 H 0.13 0.68 -0.18 -0.55 8.53 8.61 2p01A5 ASN 258 HA -0.08 -0.01 0.44 -0.75 4.76 4.35 2p01A5 ASN 258 HB2 0.07 0.10 0.18 -0.04 2.88 3.19 2p01A5 ASN 258 HB3 0.04 0.14 0.18 -0.04 2.79 3.10 2p01A5 ASN 258 HD21 0.04 0.04 0.03 -0.04 7.03 7.09 2p01A5 ASN 258 HD22 0.02 -0.04 0.01 -0.04 7.74 7.70 2p01A5 HIS 259 H 0.05 0.50 -0.18 -0.55 8.41 8.25 2p01A5 HIS 259 HA -0.10 -0.02 0.42 -0.75 4.63 4.17 2p01A5 HIS 259 HB2 -0.16 0.04 0.16 -0.04 3.26 3.27 2p01A5 HIS 259 HB3 -0.41 0.19 0.23 -0.04 3.20 3.17 2p01A5 HIS 259 HD2 -0.10 -0.05 0.12 -0.04 6.97 6.90 2p01A5 HIS 259 HE1 -0.13 -0.01 -0.01 -0.04 7.75 7.56 2p01A5 TYR 260 H -0.15 0.64 -0.13 -0.55 8.29 8.10 2p01A5 TYR 260 HA -0.23 -0.03 0.43 -0.75 4.56 3.98 2p01A5 TYR 260 HB2 -0.10 0.21 0.16 -0.04 3.06 3.29 2p01A5 TYR 260 HB3 -0.09 -0.06 0.04 -0.04 2.98 2.82 2p01A5 TYR 260 HD2 -0.05 -0.00 -0.08 -0.04 7.15 6.98 2p01A5 TYR 260 HE2 -0.01 -0.03 -0.05 -0.04 6.85 6.72 2p01A5 GLN 261 H -0.08 0.48 -0.26 -0.55 8.47 8.07 2p01A5 GLN 261 HA -0.06 -0.01 0.43 -0.75 4.36 3.96 2p01A5 GLN 261 HB2 -0.07 0.26 0.28 -0.04 2.15 2.58 2p01A5 GLN 261 HB3 -0.05 -0.07 0.06 -0.04 2.02 1.92 2p01A5 GLN 261 HG2 -0.21 -0.09 0.05 -0.04 2.40 2.12 2p01A5 GLN 261 HG3 -0.46 0.38 0.11 -0.04 2.39 2.37 2p01A5 GLN 261 HE21 -0.04 0.05 0.11 -0.04 6.97 7.05 2p01A5 GLN 261 HE22 0.03 0.02 0.03 -0.04 7.69 7.74 2p01A5 LYS 262 H -0.02 0.59 -0.07 -0.55 8.42 8.37 2p01A5 LYS 262 HA 0.01 0.01 0.45 -0.75 4.32 4.04 2p01A5 LYS 262 HB2 0.03 0.04 0.15 -0.04 1.87 2.04 2p01A5 LYS 262 HB3 0.06 0.14 0.19 -0.04 1.79 2.13 2p01A5 LYS 262 HG2 0.03 -0.04 -0.14 -0.04 1.46 1.26 2p01A5 LYS 262 HG3 0.02 -0.03 0.08 -0.04 1.46 1.48 2p01A5 LYS 262 HD2 0.03 0.01 0.02 -0.04 1.69 1.71 2p01A5 LYS 262 HD3 0.06 0.02 0.01 -0.04 1.68 1.73 2p01A5 LYS 262 HE2 0.02 -0.02 -0.01 -0.04 2.99 2.93 2p01A5 LYS 262 HE3 0.01 -0.01 0.01 -0.04 2.99 2.96 2p01A5 GLN 263 H -0.06 0.56 -0.10 -0.55 8.47 8.33 2p01A5 GLN 263 HA -0.01 -0.02 0.44 -0.75 4.36 4.02 2p01A5 GLN 263 HB2 -0.07 0.12 0.16 -0.04 2.15 2.31 2p01A5 GLN 263 HB3 -0.04 -0.07 0.06 -0.04 2.02 1.93 2p01A5 GLN 263 HG2 -0.28 0.24 0.12 -0.04 2.40 2.44 2p01A5 GLN 263 HG3 -0.44 -0.03 -0.00 -0.04 2.39 1.88 2p01A5 GLN 263 HE21 0.08 0.04 -0.02 -0.04 6.97 7.02 2p01A5 GLN 263 HE22 0.05 -0.02 -0.02 -0.04 7.69 7.66 2p01A5 LEU 264 H -0.00 0.65 -0.28 -0.55 8.37 8.19 2p01A5 LEU 264 HA 0.03 -0.03 0.43 -0.75 4.35 4.03 2p01A5 LEU 264 HB2 -0.02 0.03 0.07 -0.04 1.64 1.68 2p01A5 LEU 264 HB3 -0.01 0.20 0.24 -0.04 1.64 2.03 2p01A5 LEU 264 HG -0.01 -0.02 -0.25 -0.04 1.64 1.32 2p01A5 LEU 264 HD13 -0.16 -0.03 0.06 -0.04 0.93 0.76 2p01A5 LEU 264 HD23 -0.08 -0.01 -0.02 -0.04 0.89 0.75 2p01A5 GLU 265 H 0.02 0.57 -0.12 -0.55 8.60 8.53 2p01A5 GLU 265 HA 0.09 0.02 0.46 -0.75 4.29 4.11 2p01A5 GLU 265 HB2 0.03 0.06 0.16 -0.04 2.09 2.30 2p01A5 GLU 265 HB3 0.03 0.10 0.18 -0.04 1.99 2.26 2p01A5 GLU 265 HG2 0.05 -0.04 -0.11 -0.04 2.34 2.19 2p01A5 GLU 265 HG3 0.06 -0.03 0.07 -0.04 2.34 2.40 2p01A5 ILE 266 H 0.03 0.57 -0.05 -0.55 8.25 8.25 2p01A5 ILE 266 HA 0.01 0.01 0.44 -0.75 4.18 3.89 2p01A5 ILE 266 HB 0.02 0.08 0.19 -0.04 1.89 2.13 2p01A5 ILE 266 HG12 0.01 -0.04 0.05 -0.04 1.49 1.46 2p01A5 ILE 266 HG13 0.02 0.07 0.11 -0.04 1.21 1.36 2p01A5 ILE 266 HG23 0.00 -0.02 -0.06 -0.04 0.93 0.81 2p01A5 ILE 266 HD13 0.02 -0.01 -0.06 -0.04 0.88 0.78 2p01A5 ALA 267 H 0.05 0.77 -0.12 -0.55 8.40 8.55 2p01A5 ALA 267 HA 0.04 -0.03 0.41 -0.75 4.34 4.00 2p01A5 ALA 267 HB3 0.09 0.02 0.11 -0.04 1.41 1.59 2p01A5 HIS 268 H 0.19 0.52 -0.31 -0.55 8.41 8.26 2p01A5 HIS 268 HA -0.03 -0.02 0.42 -0.75 4.63 4.25 2p01A5 HIS 268 HB2 0.17 0.09 0.17 -0.04 3.26 3.66 2p01A5 HIS 268 HB3 0.04 0.16 0.20 -0.04 3.20 3.56 2p01A5 HIS 268 HD2 0.01 0.02 -0.05 -0.04 6.97 6.91 2p01A5 HIS 268 HE1 -0.10 -0.01 -0.00 -0.04 7.75 7.59 2p01A5 GLU 269 H 0.03 0.53 -0.12 -0.55 8.60 8.49 2p01A5 GLU 269 HA -0.21 0.02 0.43 -0.75 4.29 3.77 2p01A5 GLU 269 HB2 -0.04 0.13 0.20 -0.04 2.09 2.33 2p01A5 GLU 269 HB3 -0.12 0.03 0.10 -0.04 1.99 1.96 2p01A5 GLU 269 HG2 -0.12 -0.01 0.07 -0.04 2.34 2.24 2p01A5 GLU 269 HG3 -0.11 -0.00 0.03 -0.04 2.34 2.21 2p01A5 LYS 270 H -0.07 0.62 -0.07 -0.55 8.42 8.35 2p01A5 LYS 270 HA -0.09 0.01 0.42 -0.75 4.32 3.91 2p01A5 LYS 270 HB2 -0.01 0.12 0.16 -0.04 1.87 2.09 2p01A5 LYS 270 HB3 -0.01 -0.07 0.02 -0.04 1.79 1.70 2p01A5 LYS 270 HG2 -0.05 0.05 0.08 -0.04 1.46 1.49 2p01A5 LYS 270 HG3 -0.01 -0.02 -0.00 -0.04 1.46 1.39 2p01A5 LYS 270 HD2 -0.03 -0.03 0.03 -0.04 1.69 1.63 2p01A5 LYS 270 HD3 -0.02 0.00 0.00 -0.04 1.68 1.63 2p01A5 LYS 270 HE2 0.01 0.01 -0.00 -0.04 2.99 2.96 2p01A5 LYS 270 HE3 0.02 -0.04 0.01 -0.04 2.99 2.94 2p01A5 LEU 271 H -0.06 0.64 -0.23 -0.55 8.37 8.17 2p01A5 LEU 271 HA -0.03 -0.06 0.40 -0.75 4.35 3.91 2p01A5 LEU 271 HB2 -0.03 0.21 0.15 -0.04 1.64 1.93 2p01A5 LEU 271 HB3 -0.15 0.11 0.12 -0.04 1.64 1.67 2p01A5 LEU 271 HG -0.02 -0.09 0.03 -0.04 1.64 1.52 2p01A5 LEU 271 HD13 -0.09 -0.01 -0.18 -0.04 0.93 0.61 2p01A5 LEU 271 HD23 -0.07 -0.01 -0.13 -0.04 0.89 0.64 2p01A5 ARG 272 H -0.21 0.60 -0.16 -0.55 8.46 8.15 2p01A5 ARG 272 HA -0.09 -0.01 0.39 -0.75 4.34 3.89 2p01A5 ARG 272 HB2 -0.31 0.03 0.14 -0.04 1.90 1.72 2p01A5 ARG 272 HB3 -0.12 0.14 0.17 -0.04 1.80 1.95 2p01A5 ARG 272 HG2 0.04 -0.01 -0.18 -0.04 1.67 1.48 2p01A5 ARG 272 HG3 -0.05 -0.04 0.05 -0.04 1.67 1.59 2p01A5 ARG 272 HD2 -0.02 0.01 -0.01 -0.04 3.22 3.16 2p01A5 ARG 272 HD3 0.00 -0.03 -0.02 -0.04 3.22 3.14 2p01A5 HIS 273 H 0.04 0.48 -0.19 -0.55 8.41 8.20 2p01A5 HIS 273 HA -0.04 0.04 0.44 -0.75 4.63 4.32 2p01A5 HIS 273 HB2 -0.04 0.11 0.20 -0.04 3.26 3.49 2p01A5 HIS 273 HB3 -0.02 -0.06 -0.00 -0.04 3.20 3.07 2p01A5 HIS 273 HD2 -0.04 -0.02 -0.10 -0.04 6.97 6.76 2p01A5 HIS 273 HE1 -0.01 -0.02 -0.00 -0.04 7.75 7.67 2p01A5 ALA 274 H 0.05 0.65 -0.13 -0.55 8.40 8.43 2p01A5 ALA 274 HA 0.02 -0.03 0.41 -0.75 4.34 3.99 2p01A5 ALA 274 HB3 0.01 0.02 0.07 -0.04 1.41 1.46 2p01A5 GLU 275 H -0.00 0.54 -0.29 -0.55 8.60 8.30 2p01A5 GLU 275 HA -0.01 -0.13 0.28 -0.75 4.29 3.67 2p01A5 GLU 275 HB2 -0.01 0.31 0.10 -0.04 2.09 2.44 2p01A5 GLU 275 HB3 -0.01 -0.07 0.06 -0.04 1.99 1.93 2p01A5 GLU 275 HG2 -0.02 -0.15 0.04 -0.04 2.34 2.18 2p01A5 GLU 275 HG3 -0.03 0.35 0.10 -0.04 2.34 2.72 2p01A5 SER 276 H -0.01 0.27 -1.05 -0.55 8.46 7.12 2p01A5 SER 276 HA -0.02 0.07 0.55 -0.75 4.49 4.34 2p01A5 SER 276 HB2 -0.06 0.07 0.24 -0.04 3.95 4.16 2p01A5 SER 276 HB3 -0.05 -0.04 0.01 -0.04 3.93 3.80 2p01A5 VAL 277 H -0.02 0.19 0.10 -0.55 8.24 7.95 2p01A5 VAL 277 HA -0.02 -0.03 0.39 -0.75 4.13 3.72 2p01A5 VAL 277 HB -0.01 0.08 -0.15 -0.04 2.12 2.00 2p01A5 VAL 277 HG13 -0.00 -0.05 -0.05 -0.04 0.97 0.82 2p01A5 VAL 277 HG23 -0.00 -0.02 0.10 -0.04 0.95 0.99 2p01A5 GLY 278 H -0.01 0.10 -0.04 -0.55 8.43 7.93 2p01A5 GLY 278 HA2 -0.01 0.07 0.44 -0.51 4.01 4.00 2p01A5 GLY 278 HA3 -0.01 -0.01 0.61 -0.51 4.01 4.08 2p01A5 ASP 279 H -0.00 0.12 0.07 -0.55 8.40 8.04 2p01A5 ASP 279 HA -0.00 0.10 0.73 -0.75 4.63 4.70 2p01A5 ASP 279 HB2 -0.00 -0.04 0.14 -0.04 2.71 2.77 2p01A5 ASP 279 HB3 -0.00 0.08 0.02 -0.04 2.70 2.75 2p01A5 GLY 280 H -0.00 0.17 0.22 -0.55 8.43 8.27 2p01A5 GLY 280 HA2 -0.00 0.01 0.44 -0.51 4.01 3.95 2p01A5 GLY 280 HA3 -0.00 0.05 0.35 -0.51 4.01 3.90 2p01A5 GLU 281 H 0.00 -0.16 0.21 -0.55 8.60 8.11 2p01A5 GLU 281 HA 0.00 0.12 0.47 -0.75 4.29 4.13 2p01A5 GLU 281 HB2 0.00 0.28 -0.10 -0.04 2.09 2.23 2p01A5 GLU 281 HB3 0.00 -0.03 -0.04 -0.04 1.99 1.88 2p01A5 GLU 281 HG2 0.00 -0.05 -0.20 -0.04 2.34 2.05 2p01A5 GLU 281 HG3 0.00 0.01 0.09 -0.04 2.34 2.40 2p01A5 ARG 282 H 0.00 0.25 0.20 -0.55 8.46 8.37 2p01A5 ARG 282 HA 0.01 0.19 0.78 -0.75 4.34 4.56 2p01A5 ARG 282 HB2 0.01 0.02 0.12 -0.04 1.90 2.01 2p01A5 ARG 282 HB3 0.01 0.08 0.07 -0.04 1.80 1.91 2p01A5 ARG 282 HG2 0.00 -0.01 0.10 -0.04 1.67 1.73 2p01A5 ARG 282 HG3 0.00 0.02 -0.17 -0.04 1.67 1.49 2p01A5 ARG 282 HD2 0.01 0.07 -0.01 -0.04 3.22 3.25 2p01A5 ARG 282 HD3 0.01 0.00 -0.02 -0.04 3.22 3.17 2p01A5 VAL 283 H 0.00 -0.10 -0.04 -0.55 8.24 7.55 2p01A5 VAL 283 HA -0.00 0.17 0.40 -0.75 4.13 3.95 2p01A5 VAL 283 HB 0.00 -0.08 0.08 -0.04 2.12 2.08 2p01A5 VAL 283 HG13 -0.00 0.04 -0.10 -0.04 0.97 0.86 2p01A5 VAL 283 HG23 -0.00 0.03 -0.01 -0.04 0.95 0.92 2p01A5 SER 284 H 0.01 0.10 -0.22 -0.55 8.46 7.80 2p01A5 SER 284 HA 0.01 0.12 0.39 -0.75 4.49 4.25 2p01A5 SER 284 HB2 0.01 0.05 0.05 -0.04 3.95 4.01 2p01A5 SER 284 HB3 0.01 0.05 0.05 -0.04 3.93 4.00 2p01A5 ARG 285 H 0.01 0.12 -0.27 -0.55 8.46 7.77 2p01A5 ARG 285 HA 0.02 0.06 0.40 -0.75 4.34 4.07 2p01A5 ARG 285 HB2 0.01 0.04 0.13 -0.04 1.90 2.04 2p01A5 ARG 285 HB3 0.01 0.08 0.13 -0.04 1.80 1.98 2p01A5 ARG 285 HG2 0.02 -0.00 -0.18 -0.04 1.67 1.46 2p01A5 ARG 285 HG3 0.01 -0.01 0.06 -0.04 1.67 1.69 2p01A5 ARG 285 HD2 0.01 0.01 -0.01 -0.04 3.22 3.20 2p01A5 ARG 285 HD3 0.01 0.01 0.02 -0.04 3.22 3.23 2p01A5 SER 286 H 0.02 0.56 -0.16 -0.55 8.46 8.32 2p01A5 SER 286 HA 0.04 0.02 0.41 -0.75 4.49 4.22 2p01A5 SER 286 HB2 0.02 0.09 0.14 -0.04 3.95 4.16 2p01A5 SER 286 HB3 0.01 0.07 0.11 -0.04 3.93 4.08 2p01A5 ARG 287 H 0.02 0.54 -0.19 -0.55 8.46 8.28 2p01A5 ARG 287 HA 0.07 0.03 0.42 -0.75 4.34 4.10 2p01A5 ARG 287 HB2 0.01 0.06 0.12 -0.04 1.90 2.05 2p01A5 ARG 287 HB3 0.03 0.08 0.15 -0.04 1.80 2.01 2p01A5 ARG 287 HG2 0.06 -0.03 -0.16 -0.04 1.67 1.50 2p01A5 ARG 287 HG3 0.04 -0.01 0.05 -0.04 1.67 1.71 2p01A5 ARG 287 HD2 0.02 -0.01 -0.02 -0.04 3.22 3.17 2p01A5 ARG 287 HD3 0.03 -0.01 -0.02 -0.04 3.22 3.18 2p01A5 GLU 288 H 0.04 0.54 -0.19 -0.55 8.60 8.44 2p01A5 GLU 288 HA 0.03 0.02 0.44 -0.75 4.29 4.03 2p01A5 GLU 288 HB2 0.02 0.13 0.24 -0.04 2.09 2.44 2p01A5 GLU 288 HB3 0.02 -0.04 0.03 -0.04 1.99 1.95 2p01A5 GLU 288 HG2 0.02 0.19 0.10 -0.04 2.34 2.61 2p01A5 GLU 288 HG3 0.01 -0.05 -0.00 -0.04 2.34 2.26 2p01A5 LYS 289 H 0.04 0.61 -0.01 -0.55 8.42 8.51 2p01A5 LYS 289 HA 0.01 0.00 0.46 -0.75 4.32 4.04 2p01A5 LYS 289 HB2 0.04 0.16 0.17 -0.04 1.87 2.20 2p01A5 LYS 289 HB3 0.03 -0.00 -0.02 -0.04 1.79 1.76 2p01A5 LYS 289 HG2 0.01 -0.02 0.04 -0.04 1.46 1.46 2p01A5 LYS 289 HG3 0.02 0.01 0.03 -0.04 1.46 1.47 2p01A5 LYS 289 HD2 0.00 0.00 0.04 -0.04 1.69 1.69 2p01A5 LYS 289 HD3 -0.01 -0.05 0.08 -0.04 1.68 1.65 2p01A5 LYS 289 HE2 0.01 0.01 0.00 -0.04 2.99 2.97 2p01A5 LYS 289 HE3 -0.01 0.00 -0.00 -0.04 2.99 2.94 2p01A5 HIS 290 H 0.14 0.53 -0.34 -0.55 8.41 8.19 2p01A5 HIS 290 HA 0.02 -0.00 0.40 -0.75 4.63 4.29 2p01A5 HIS 290 HB2 0.04 0.12 0.11 -0.04 3.26 3.50 2p01A5 HIS 290 HB3 0.03 0.11 0.23 -0.04 3.20 3.53 2p01A5 HIS 290 HD2 0.08 0.00 -0.02 -0.04 6.97 6.99 2p01A5 HIS 290 HE1 -0.07 -0.01 -0.04 -0.04 7.75 7.59 2p01A5 ALA 291 H 0.10 0.64 -0.10 -0.55 8.40 8.49 2p01A5 ALA 291 HA -0.07 0.02 0.49 -0.75 4.34 4.03 2p01A5 ALA 291 HB3 0.03 0.03 0.12 -0.04 1.41 1.55 2p01A5 LEU 292 H -0.01 0.55 -0.12 -0.55 8.37 8.24 2p01A5 LEU 292 HA -0.03 0.01 0.45 -0.75 4.35 4.02 2p01A5 LEU 292 HB2 -0.02 -0.01 0.10 -0.04 1.64 1.67 2p01A5 LEU 292 HB3 -0.02 0.06 0.25 -0.04 1.64 1.89 2p01A5 LEU 292 HG -0.06 0.05 -0.31 -0.04 1.64 1.28 2p01A5 LEU 292 HD13 -0.05 -0.03 -0.02 -0.04 0.93 0.79 2p01A5 LEU 292 HD23 -0.03 -0.01 -0.02 -0.04 0.89 0.80 2p01A5 LEU 293 H -0.06 0.82 -0.02 -0.55 8.37 8.56 2p01A5 LEU 293 HA -0.13 -0.00 0.43 -0.75 4.35 3.90 2p01A5 LEU 293 HB2 -0.06 0.27 0.19 -0.04 1.64 1.99 2p01A5 LEU 293 HB3 -0.08 -0.00 -0.03 -0.04 1.64 1.49 2p01A5 LEU 293 HG -0.11 -0.04 0.04 -0.04 1.64 1.48 2p01A5 LEU 293 HD13 0.02 0.00 -0.03 -0.04 0.93 0.88 2p01A5 LEU 293 HD23 -0.16 -0.01 0.03 -0.04 0.89 0.71 2p01A5 GLU 294 H -0.17 0.53 -0.22 -0.55 8.60 8.20 2p01A5 GLU 294 HA -0.10 -0.00 0.43 -0.75 4.29 3.86 2p01A5 GLU 294 HB2 -0.39 0.14 0.18 -0.04 2.09 1.98 2p01A5 GLU 294 HB3 -0.15 0.05 0.20 -0.04 1.99 2.05 2p01A5 GLU 294 HG2 -0.06 -0.05 -0.12 -0.04 2.34 2.07 2p01A5 GLU 294 HG3 -0.11 -0.03 0.07 -0.04 2.34 2.22 2p01A5 GLY 295 H -0.07 0.72 -0.17 -0.55 8.43 8.37 2p01A5 GLY 295 HA2 -0.02 -0.02 0.43 -0.51 4.01 3.89 2p01A5 GLY 295 HA3 -0.03 0.09 0.35 -0.51 4.01 3.91 2p01A5 ARG 296 H -0.05 0.63 -0.09 -0.55 8.46 8.40 2p01A5 ARG 296 HA -0.01 -0.02 0.43 -0.75 4.34 3.98 2p01A5 ARG 296 HB2 -0.08 -0.00 0.12 -0.04 1.90 1.90 2p01A5 ARG 296 HB3 -0.11 0.14 0.16 -0.04 1.80 1.96 2p01A5 ARG 296 HG2 -0.16 -0.01 -0.01 -0.04 1.67 1.45 2p01A5 ARG 296 HG3 -0.01 0.01 -0.27 -0.04 1.67 1.36 2p01A5 ARG 296 HD2 -0.01 -0.00 0.01 -0.04 3.22 3.18 2p01A5 ARG 296 HD3 -0.00 -0.10 0.15 -0.04 3.22 3.22 2p01A5 THR 297 H 0.01 0.53 -0.30 -0.55 8.28 7.98 2p01A5 THR 297 HA 0.41 0.01 0.42 -0.75 4.39 4.47 2p01A5 THR 297 HB 0.07 0.08 0.18 -0.04 4.32 4.61 2p01A5 THR 297 HG23 -0.01 -0.02 -0.00 -0.04 1.22 1.15 2p01A5 LYS 298 H 0.06 0.61 -0.03 -0.55 8.42 8.51 2p01A5 LYS 298 HA 0.10 0.00 0.46 -0.75 4.32 4.13 2p01A5 LYS 298 HB2 0.02 0.13 0.18 -0.04 1.87 2.15 2p01A5 LYS 298 HB3 0.04 -0.06 0.04 -0.04 1.79 1.77 2p01A5 LYS 298 HG2 0.06 -0.05 0.05 -0.04 1.46 1.48 2p01A5 LYS 298 HG3 0.04 0.13 0.11 -0.04 1.46 1.69 2p01A5 LYS 298 HD2 0.01 0.02 -0.00 -0.04 1.69 1.68 2p01A5 LYS 298 HD3 0.02 -0.04 0.01 -0.04 1.68 1.64 2p01A5 LYS 298 HE2 0.03 -0.03 0.01 -0.04 2.99 2.95 2p01A5 LYS 298 HE3 0.00 0.02 -0.00 -0.04 2.99 2.97 2p01A5 GLU 299 H 0.03 0.64 -0.16 -0.55 8.60 8.56 2p01A5 GLU 299 HA 0.04 -0.02 0.41 -0.75 4.29 3.96 2p01A5 GLU 299 HB2 0.00 0.13 0.12 -0.04 2.09 2.31 2p01A5 GLU 299 HB3 0.01 0.09 0.17 -0.04 1.99 2.21 2p01A5 GLU 299 HG2 0.01 -0.01 -0.01 -0.04 2.34 2.29 2p01A5 GLU 299 HG3 0.06 -0.06 -0.07 -0.04 2.34 2.23 2p01A5 LEU 300 H -0.02 0.73 -0.14 -0.55 8.37 8.39 2p01A5 LEU 300 HA -0.05 -0.02 0.43 -0.75 4.35 3.96 2p01A5 LEU 300 HB2 -0.12 0.24 0.21 -0.04 1.64 1.93 2p01A5 LEU 300 HB3 -0.92 0.02 0.02 -0.04 1.64 0.71 2p01A5 LEU 300 HG -0.02 0.04 0.01 -0.04 1.64 1.63 2p01A5 LEU 300 HD13 -0.06 -0.03 -0.02 -0.04 0.93 0.78 2p01A5 LEU 300 HD23 0.02 0.01 0.02 -0.04 0.89 0.89 2p01A5 GLY 301 H -0.18 0.52 -0.16 -0.55 8.43 8.07 2p01A5 GLY 301 HA2 -0.30 0.00 0.38 -0.51 4.01 3.59 2p01A5 GLY 301 HA3 -0.05 0.07 0.34 -0.51 4.01 3.86 2p01A5 TYR 302 H 0.07 0.58 -0.21 -0.55 8.29 8.18 2p01A5 TYR 302 HA -0.08 -0.03 0.45 -0.75 4.56 4.14 2p01A5 TYR 302 HB2 -0.02 -0.01 0.12 -0.04 3.06 3.10 2p01A5 TYR 302 HB3 -0.04 0.21 0.21 -0.04 2.98 3.31 2p01A5 TYR 302 HD2 -0.02 0.04 -0.02 -0.04 7.15 7.11 2p01A5 TYR 302 HE2 -0.03 -0.00 -0.02 -0.04 6.85 6.76 2p01A5 THR 303 H 0.03 0.57 -0.11 -0.55 8.28 8.21 2p01A5 THR 303 HA -0.20 -0.02 0.42 -0.75 4.39 3.84 2p01A5 THR 303 HB 0.06 0.12 0.18 -0.04 4.32 4.64 2p01A5 THR 303 HG23 0.31 -0.03 -0.01 -0.04 1.22 1.45 2p01A5 VAL 304 H -0.16 0.68 -0.12 -0.55 8.24 8.10 2p01A5 VAL 304 HA 0.03 -0.01 0.41 -0.75 4.13 3.81 2p01A5 VAL 304 HB -0.35 0.17 0.17 -0.04 2.12 2.06 2p01A5 VAL 304 HG13 -0.39 -0.02 -0.15 -0.04 0.97 0.37 2p01A5 VAL 304 HG23 -0.01 -0.01 0.01 -0.04 0.95 0.90 2p01A5 LYS 305 H -0.46 0.54 -0.19 -0.55 8.42 7.75 2p01A5 LYS 305 HA -0.16 -0.02 0.41 -0.75 4.32 3.80 2p01A5 LYS 305 HB2 -0.30 0.06 0.18 -0.04 1.87 1.77 2p01A5 LYS 305 HB3 -0.29 0.13 0.25 -0.04 1.79 1.84 2p01A5 LYS 305 HG2 -0.02 -0.02 -0.17 -0.04 1.46 1.21 2p01A5 LYS 305 HG3 0.19 -0.05 0.06 -0.04 1.46 1.62 2p01A5 LYS 305 HD2 0.24 -0.01 0.02 -0.04 1.69 1.90 2p01A5 LYS 305 HD3 0.08 0.02 0.02 -0.04 1.68 1.76 2p01A5 LYS 305 HE2 0.14 -0.02 0.00 -0.04 2.99 3.07 2p01A5 LYS 305 HE3 0.12 -0.00 0.00 -0.04 2.99 3.07 2p01A5 LYS 306 H -0.44 0.61 0.01 -0.55 8.42 8.05 2p01A5 LYS 306 HA -0.16 0.01 0.45 -0.75 4.32 3.86 2p01A5 LYS 306 HB2 -0.51 0.12 0.16 -0.04 1.87 1.61 2p01A5 LYS 306 HB3 -0.28 -0.04 0.03 -0.04 1.79 1.46 2p01A5 LYS 306 HG2 -0.28 -0.05 0.05 -0.04 1.46 1.14 2p01A5 LYS 306 HG3 -1.11 0.09 0.06 -0.04 1.46 0.46 2p01A5 LYS 306 HD2 0.09 -0.00 0.01 -0.04 1.69 1.74 2p01A5 LYS 306 HD3 -0.11 0.01 0.02 -0.04 1.68 1.55 2p01A5 LYS 306 HE2 -0.09 -0.02 0.04 -0.04 2.99 2.88 2p01A5 LYS 306 HE3 -0.04 -0.01 0.02 -0.04 2.99 2.92 2p01A5 HIS 307 H -0.15 0.62 -0.19 -0.55 8.41 8.14 2p01A5 HIS 307 HA -0.09 -0.02 0.45 -0.75 4.63 4.21 2p01A5 HIS 307 HB2 -0.09 0.17 0.22 -0.04 3.26 3.52 2p01A5 HIS 307 HB3 -0.38 -0.06 -0.01 -0.04 3.20 2.70 2p01A5 HIS 307 HD2 0.06 -0.05 0.03 -0.04 6.97 6.97 2p01A5 HIS 307 HE1 0.12 -0.02 -0.01 -0.04 7.75 7.79 2p01A5 LEU 308 H 0.04 0.66 -0.24 -0.55 8.37 8.28 2p01A5 LEU 308 HA 0.50 -0.02 0.41 -0.75 4.35 4.49 2p01A5 LEU 308 HB2 0.06 0.24 0.27 -0.04 1.64 2.18 2p01A5 LEU 308 HB3 0.12 -0.09 -0.00 -0.04 1.64 1.63 2p01A5 LEU 308 HG 0.09 0.09 0.05 -0.04 1.64 1.83 2p01A5 LEU 308 HD13 0.08 -0.03 -0.10 -0.04 0.93 0.83 2p01A5 LEU 308 HD23 -0.26 -0.03 -0.02 -0.04 0.89 0.53 2p01A5 GLN 309 H 0.03 0.48 -0.14 -0.55 8.47 8.29 2p01A5 GLN 309 HA 0.07 0.03 0.46 -0.75 4.36 4.16 2p01A5 GLN 309 HB2 -0.01 0.12 0.20 -0.04 2.15 2.42 2p01A5 GLN 309 HB3 0.01 -0.04 0.03 -0.04 2.02 1.98 2p01A5 GLN 309 HG2 0.04 -0.04 0.03 -0.04 2.40 2.39 2p01A5 GLN 309 HG3 0.03 0.15 0.10 -0.04 2.39 2.63 2p01A5 GLN 309 HE21 0.02 0.03 -0.07 -0.04 6.97 6.91 2p01A5 GLN 309 HE22 0.01 -0.03 -0.03 -0.04 7.69 7.60 2p01A5 ASP 310 H -0.01 0.59 -0.05 -0.55 8.40 8.38 2p01A5 ASP 310 HA -0.01 0.02 0.43 -0.75 4.63 4.31 2p01A5 ASP 310 HB2 -0.03 0.06 0.20 -0.04 2.71 2.91 2p01A5 ASP 310 HB3 -0.02 -0.03 0.02 -0.04 2.70 2.62 2p01A5 LEU 311 H -0.04 0.77 -0.05 -0.55 8.37 8.51 2p01A5 LEU 311 HA -0.20 0.01 0.44 -0.75 4.35 3.84 2p01A5 LEU 311 HB2 -0.28 0.15 0.15 -0.04 1.64 1.63 2p01A5 LEU 311 HB3 -1.03 -0.04 -0.03 -0.04 1.64 0.50 2p01A5 LEU 311 HG -0.38 0.04 0.08 -0.04 1.64 1.34 2p01A5 LEU 311 HD13 -1.41 -0.02 -0.06 -0.04 0.93 -0.59 2p01A5 LEU 311 HD23 -0.33 -0.02 -0.01 -0.04 0.89 0.49 2p01A5 SER 312 H 0.14 0.52 -0.27 -0.55 8.46 8.31 2p01A5 SER 312 HA 0.24 -0.01 0.36 -0.75 4.49 4.33 2p01A5 SER 312 HB2 0.11 0.11 0.21 -0.04 3.95 4.34 2p01A5 SER 312 HB3 0.13 -0.08 0.02 -0.04 3.93 3.96 2p01A5 GLY 313 H 0.04 0.52 -0.23 -0.55 8.43 8.21 2p01A5 GLY 313 HA2 0.03 0.01 0.46 -0.51 4.01 4.00 2p01A5 GLY 313 HA3 0.01 0.04 0.32 -0.51 4.01 3.88 2p01A5 ARG 314 H -0.02 0.51 -0.07 -0.55 8.46 8.33 2p01A5 ARG 314 HA -0.01 -0.00 0.49 -0.75 4.34 4.07 2p01A5 ARG 314 HB2 -0.07 0.08 0.23 -0.04 1.90 2.09 2p01A5 ARG 314 HB3 -0.05 -0.01 0.00 -0.04 1.80 1.70 2p01A5 ARG 314 HG2 -0.03 -0.03 0.02 -0.04 1.67 1.59 2p01A5 ARG 314 HG3 -0.02 -0.06 0.09 -0.04 1.67 1.63 2p01A5 ARG 314 HD2 -0.02 -0.04 0.09 -0.04 3.22 3.21 2p01A5 ARG 314 HD3 -0.03 0.02 -0.02 -0.04 3.22 3.14 2p01A5 ILE 315 H -0.05 0.71 -0.08 -0.55 8.25 8.29 2p01A5 ILE 315 HA -0.03 0.04 0.38 -0.75 4.18 3.81 2p01A5 ILE 315 HB 0.04 0.05 0.01 -0.04 1.89 1.95 2p01A5 ILE 315 HG12 -0.17 -0.01 0.05 -0.04 1.49 1.32 2p01A5 ILE 315 HG13 -0.40 -0.08 -0.05 -0.04 1.21 0.63 2p01A5 ILE 315 HG23 0.04 -0.03 -0.08 -0.04 0.93 0.83 2p01A5 ILE 315 HD13 -0.06 -0.01 -0.02 -0.04 0.88 0.74 2p01A5 SER 316 H 0.02 0.26 -0.53 -0.55 8.46 7.66 2p01A5 SER 316 HA 0.04 -0.05 0.38 -0.75 4.49 4.10 2p01A5 SER 316 HB2 0.04 0.13 0.18 -0.04 3.95 4.26 2p01A5 SER 316 HB3 0.02 0.16 0.20 -0.04 3.93 4.27 2p01A5 ARG 317 H 0.01 0.41 -0.27 -0.55 8.46 8.06 2p01A5 ARG 317 HA 0.01 0.08 0.85 -0.75 4.34 4.53 2p01A5 ARG 317 HB2 0.01 -0.03 -0.02 -0.04 1.90 1.82 2p01A5 ARG 317 HB3 0.01 0.05 0.14 -0.04 1.80 1.96 2p01A5 ARG 317 HG2 0.01 -0.06 -0.04 -0.04 1.67 1.54 2p01A5 ARG 317 HG3 0.01 -0.06 -0.31 -0.04 1.67 1.27 2p01A5 ARG 317 HD2 0.02 -0.06 -0.05 -0.04 3.22 3.08 2p01A5 ARG 317 HD3 0.02 -0.04 0.00 -0.04 3.22 3.16 2p01A5 ALA 318 H 0.01 0.15 0.05 -0.55 8.40 8.07 2p01A5 ALA 318 HA -0.01 0.22 1.02 -0.75 4.34 4.82 2p01A5 ALA 318 HB3 -0.02 0.03 0.06 -0.04 1.41 1.43 2p01A5 ARG 319 H 0.02 0.21 0.13 -0.55 8.46 8.27 2p01A5 ARG 319 HA 0.11 0.11 0.57 -0.75 4.34 4.38 2p01A5 ARG 319 HB2 0.03 0.11 0.16 -0.04 1.90 2.15 2p01A5 ARG 319 HB3 0.05 -0.11 0.13 -0.04 1.80 1.83 2p01A5 ARG 319 HG2 0.03 0.01 0.00 -0.04 1.67 1.67 2p01A5 ARG 319 HG3 0.02 0.07 -0.05 -0.04 1.67 1.67 2p01A5 ARG 319 HD2 0.02 -0.04 0.00 -0.04 3.22 3.16 2p01A5 ARG 319 HD3 0.01 0.03 -0.01 -0.04 3.22 3.21 2p01A5 HIS 320 H 0.24 0.16 0.17 -0.55 8.41 8.43 2p01A5 HIS 320 HA -0.01 0.12 0.45 -0.75 4.63 4.44 2p01A5 HIS 320 HB2 -0.01 -0.01 0.12 -0.04 3.26 3.32 2p01A5 HIS 320 HB3 -0.01 -0.02 0.16 -0.04 3.20 3.28 2p01A5 HIS 320 HD2 -0.01 -0.03 0.03 -0.04 6.97 6.92 2p01A5 HIS 320 HE1 -0.01 0.06 0.01 -0.04 7.75 7.76 2p01A5 ASN 321 H 0.06 -0.01 -0.83 -0.55 8.53 7.21 2p01A5 ASN 321 HA 0.03 0.15 0.83 -0.75 4.76 5.02 2p01A5 ASN 321 HB2 0.03 0.03 -0.09 -0.04 2.88 2.81 2p01A5 ASN 321 HB3 0.03 -0.02 -0.06 -0.04 2.79 2.69 2p01A5 ASN 321 HD21 0.01 0.00 -0.02 -0.04 7.03 6.99 2p01A5 ASN 321 HD22 0.01 0.04 -0.04 -0.04 7.74 7.70 2p01A5 GLU 322 H 0.01 0.12 0.04 -0.55 8.60 8.22 2p01A5 GLU 322 HA 0.00 0.07 0.38 -0.75 4.29 3.99 2p01A5 GLU 322 HB2 0.01 0.02 0.20 -0.04 2.09 2.27 2p01A5 GLU 322 HB3 0.01 0.06 0.07 -0.04 1.99 2.09 2p01A5 GLU 322 HG2 0.01 0.02 -0.05 -0.04 2.34 2.27 2p01A5 GLU 322 HG3 0.00 -0.08 -0.03 -0.04 2.34 2.20 2p01A5 LEU 323 H 0.00 0.48 0.43 -0.55 8.37 8.73 2p01A5 LEU 323 HA 0.00 0.02 0.11 -0.75 4.35 3.72 2p01A5 LEU 323 HB2 -0.00 0.02 0.12 -0.04 1.64 1.74 2p01A5 LEU 323 HB3 0.01 -0.05 0.16 -0.04 1.64 1.71 2p01A5 LEU 323 HG -0.00 -0.12 0.06 -0.04 1.64 1.54 2p01A5 LEU 323 HD13 -0.02 0.04 0.06 -0.04 0.93 0.97 2p01A5 LEU 323 HD23 -0.01 0.01 0.21 -0.04 0.89 1.06