============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 1 0.840 75.462 -43.605 139.367 -99.200 -91.000 PHE 3 1.000 80.231 -43.449 136.091 -99.200 -91.000 TRP 4 1.040 73.546 -44.399 134.874 -99.200 -91.000 TRP6 4 1.020 75.326 -45.819 135.565 -99.200 -91.000 TYR 9 0.840 71.048 -40.773 124.592 -99.200 -91.000 HIS 26 0.900 69.724 -36.508 138.518 -99.200 -91.000 PHE 46 1.000 93.956 -23.124 131.062 -99.200 -91.000 TYR 54 0.840 74.455 -28.722 147.857 -99.200 -91.000 PHE 82 1.000 92.790 -24.988 125.657 -99.200 -91.000 TYR 102 0.840 89.712 -42.177 136.167 -99.200 -91.000 PHE 103 1.000 89.642 -34.264 137.400 -99.200 -91.000 TYR 106 0.840 80.189 -39.449 126.260 -99.200 -91.000 TYR 124 0.840 87.703 -32.767 146.695 -99.200 -91.000 PHE 129 1.000 86.780 -30.118 136.185 -99.200 -91.000 HIS 143 0.900 93.647 -24.177 112.876 -99.200 -91.000 PHE 144 1.000 97.346 -18.825 118.448 -99.200 -91.000 TYR 147 0.840 89.151 -23.379 119.443 -99.200 -91.000 HIS 150 0.900 79.467 -25.503 124.601 -99.200 -91.000 TYR 161 0.840 67.057 -46.375 139.348 -99.200 -91.000 PHE 172 1.000 57.946 -42.657 143.760 -99.200 -91.000 TYR 190 0.840 66.287 -60.578 156.098 -99.200 -91.000 TYR 195 0.840 56.464 -46.749 154.144 -99.200 -91.000 PHE 240 1.000 71.639 -31.296 133.707 -99.200 -91.000 TRP 257 1.040 104.285 -8.090 115.413 -99.200 -91.000 TRP6 257 1.020 106.230 -6.795 115.762 -99.200 -91.000 PHE 261 1.000 98.843 0.354 114.939 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2d2cP1 TYR 1 HA -0.73 0.03 0.16 -0.75 4.56 3.26 2d2cP1 TYR 1 HB2 -2.25 -0.17 -0.07 -0.04 3.06 0.52 2d2cP1 TYR 1 HB3 -1.76 0.03 0.05 -0.04 2.98 1.25 2d2cP1 TYR 1 HD2 -1.46 0.02 0.04 -0.04 7.15 5.71 2d2cP1 TYR 1 HE2 -0.17 0.00 0.01 -0.04 6.85 6.65 2d2cP1 PRO 2 HA -0.10 0.08 0.36 -0.51 4.44 4.27 2d2cP1 PRO 2 HB2 -0.00 -0.11 0.13 -0.04 2.28 2.26 2d2cP1 PRO 2 HB3 0.02 0.13 0.16 -0.04 2.02 2.29 2d2cP1 PRO 2 HG2 -0.10 0.21 0.12 -0.04 2.03 2.21 2d2cP1 PRO 2 HG3 -0.17 0.03 0.19 -0.04 2.03 2.03 2d2cP1 PRO 2 HD2 -0.98 0.07 0.18 -0.04 3.68 2.91 2d2cP1 PRO 2 HD3 -0.47 0.12 0.17 -0.04 3.65 3.43 2d2cP1 PHE 3 H -0.64 0.13 -0.09 -0.55 8.34 7.19 2d2cP1 PHE 3 HA 0.08 0.06 0.27 -0.75 4.62 4.27 2d2cP1 PHE 3 HB2 0.57 0.04 -0.08 -0.04 3.15 3.63 2d2cP1 PHE 3 HB3 0.16 0.04 0.01 -0.04 3.06 3.22 2d2cP1 PHE 3 HD2 0.17 0.01 0.01 -0.04 7.28 7.42 2d2cP1 PHE 3 HE2 -0.17 0.01 0.03 -0.04 7.38 7.20 2d2cP1 PHE 3 HZ -0.00 0.05 0.05 -0.04 7.32 7.38 2d2cP1 TRP 4 H 0.78 0.08 -0.40 -0.55 7.97 7.89 2d2cP1 TRP 4 HA 0.08 -0.05 0.23 -0.75 4.62 4.13 2d2cP1 TRP 4 HB2 0.01 0.63 0.05 -0.04 3.23 3.87 2d2cP1 TRP 4 HB3 0.06 -0.06 -0.11 -0.04 3.23 3.08 2d2cP1 TRP 4 HD1 0.06 -0.03 0.00 -0.04 7.22 7.21 2d2cP1 TRP 4 HE1 0.11 -0.09 0.06 -0.04 10.20 10.23 2d2cP1 TRP 4 HE3 0.16 -0.20 -0.07 -0.04 7.59 7.45 2d2cP1 TRP 4 HZ2 -0.13 -0.04 0.01 -0.04 7.44 7.24 2d2cP1 TRP 4 HZ3 0.33 -0.03 -0.05 -0.04 7.13 7.34 2d2cP1 TRP 4 HH2 -0.20 -0.02 -0.01 -0.04 7.19 6.91 2d2cP1 ALA 5 H 0.29 0.59 -0.45 -0.55 8.40 8.28 2d2cP1 ALA 5 HA 0.32 0.00 0.35 -0.75 4.34 4.26 2d2cP1 ALA 5 HB3 0.30 -0.01 0.05 -0.04 1.41 1.71 2d2cP1 GLN 6 H 0.06 0.49 0.05 -0.55 8.47 8.52 2d2cP1 GLN 6 HA 0.16 0.02 0.20 -0.75 4.36 3.99 2d2cP1 GLN 6 HB2 -0.31 -0.03 0.02 -0.04 2.15 1.79 2d2cP1 GLN 6 HB3 -1.61 -0.03 0.04 -0.04 2.02 0.37 2d2cP1 GLN 6 HG2 -0.30 0.01 0.11 -0.04 2.40 2.18 2d2cP1 GLN 6 HG3 -0.06 0.08 -0.00 -0.04 2.39 2.37 2d2cP1 GLN 6 HE21 -0.06 0.14 -0.01 -0.04 6.97 7.00 2d2cP1 GLN 6 HE22 0.07 -0.13 -0.02 -0.04 7.69 7.58 2d2cP1 GLN 7 H 0.11 0.41 -0.90 -0.55 8.47 7.54 2d2cP1 GLN 7 HA -0.02 0.10 0.60 -0.75 4.36 4.28 2d2cP1 GLN 7 HB2 -0.07 0.18 0.01 -0.04 2.15 2.23 2d2cP1 GLN 7 HB3 -0.11 -0.06 0.10 -0.04 2.02 1.91 2d2cP1 GLN 7 HG2 0.02 -0.02 -0.26 -0.04 2.40 2.09 2d2cP1 GLN 7 HG3 0.14 0.11 -0.48 -0.04 2.39 2.13 2d2cP1 GLN 7 HE21 0.05 -0.02 -0.11 -0.04 6.97 6.85 2d2cP1 GLN 7 HE22 0.36 -0.05 -0.25 -0.04 7.69 7.71 2d2cP1 THR 8 H 0.07 0.05 -0.48 -0.55 8.28 7.38 2d2cP1 THR 8 HA -0.19 0.08 0.62 -0.75 4.39 4.15 2d2cP1 THR 8 HB -0.85 -0.06 -0.03 -0.04 4.32 3.34 2d2cP1 THR 8 HG23 -0.11 0.01 -0.13 -0.04 1.22 0.96 2d2cP1 TYR 9 H 0.31 0.59 0.11 -0.55 8.29 8.76 2d2cP1 TYR 9 HA 0.08 0.14 0.78 -0.75 4.56 4.81 2d2cP1 TYR 9 HB2 0.10 0.00 0.23 -0.04 3.06 3.35 2d2cP1 TYR 9 HB3 0.06 -0.01 0.13 -0.04 2.98 3.12 2d2cP1 TYR 9 HD2 0.07 0.10 0.03 -0.04 7.15 7.31 2d2cP1 TYR 9 HE2 0.05 0.01 -0.06 -0.04 6.85 6.81 2d2cP1 PRO 10 HA 0.63 0.01 0.47 -0.51 4.44 5.04 2d2cP1 PRO 10 HB2 0.10 -0.08 0.03 -0.04 2.28 2.28 2d2cP1 PRO 10 HB3 0.04 0.54 0.23 -0.04 2.02 2.79 2d2cP1 PRO 10 HG2 0.10 -0.00 -0.04 -0.04 2.03 2.05 2d2cP1 PRO 10 HG3 0.04 0.04 -0.03 -0.04 2.03 2.04 2d2cP1 PRO 10 HD2 0.08 0.18 -0.13 -0.04 3.68 3.77 2d2cP1 PRO 10 HD3 0.07 0.02 -0.39 -0.04 3.65 3.30 2d2cP1 PRO 11 HA 0.13 0.03 0.47 -0.51 4.44 4.56 2d2cP1 PRO 11 HB2 0.06 0.02 -0.03 -0.04 2.28 2.30 2d2cP1 PRO 11 HB3 0.08 -0.02 0.07 -0.04 2.02 2.11 2d2cP1 PRO 11 HG2 0.10 0.16 -0.05 -0.04 2.03 2.20 2d2cP1 PRO 11 HG3 0.10 0.02 -0.00 -0.04 2.03 2.10 2d2cP1 PRO 11 HD2 0.21 -0.12 -0.67 -0.04 3.68 3.06 2d2cP1 PRO 11 HD3 0.12 0.11 0.01 -0.04 3.65 3.85 2d2cP1 THR 12 H 0.07 0.37 -0.38 -0.55 8.28 7.79 2d2cP1 THR 12 HA -0.42 0.02 0.30 -0.75 4.39 3.53 2d2cP1 THR 12 HB -0.05 0.25 0.11 -0.04 4.32 4.59 2d2cP1 THR 12 HG23 -0.02 -0.01 -0.27 -0.04 1.22 0.87 2d2cP1 PRO 13 HA -0.10 0.16 0.57 -0.51 4.44 4.55 2d2cP1 PRO 13 HB2 -0.07 -0.06 -0.02 -0.04 2.28 2.09 2d2cP1 PRO 13 HB3 -0.16 0.06 0.02 -0.04 2.02 1.90 2d2cP1 PRO 13 HG2 -0.18 0.02 -0.01 -0.04 2.03 1.82 2d2cP1 PRO 13 HG3 -0.28 0.07 -0.01 -0.04 2.03 1.76 2d2cP1 PRO 13 HD2 -0.42 0.12 0.19 -0.04 3.68 3.53 2d2cP1 PRO 13 HD3 -1.64 0.14 0.08 -0.04 3.65 2.19 2d2cP1 ARG 14 H -0.12 0.11 -0.14 -0.55 8.46 7.76 2d2cP1 ARG 14 HA -0.03 0.05 0.38 -0.75 4.34 3.98 2d2cP1 ARG 14 HB2 0.00 -0.05 -0.06 -0.04 1.90 1.75 2d2cP1 ARG 14 HB3 -0.01 -0.02 0.01 -0.04 1.80 1.73 2d2cP1 ARG 14 HG2 -0.01 0.27 -0.47 -0.04 1.67 1.42 2d2cP1 ARG 14 HG3 0.01 -0.01 -0.25 -0.04 1.67 1.37 2d2cP1 ARG 14 HD2 0.19 -0.05 -0.11 -0.04 3.22 3.20 2d2cP1 ARG 14 HD3 0.06 -0.02 -0.17 -0.04 3.22 3.05 2d2cP1 GLU 15 H -0.04 0.85 0.36 -0.55 8.60 9.23 2d2cP1 GLU 15 HA -0.04 0.12 0.39 -0.75 4.29 4.02 2d2cP1 GLU 15 HB2 -0.04 0.27 0.21 -0.04 2.09 2.49 2d2cP1 GLU 15 HB3 -0.03 -0.24 0.03 -0.04 1.99 1.70 2d2cP1 GLU 15 HG2 -0.06 0.04 0.05 -0.04 2.34 2.33 2d2cP1 GLU 15 HG3 -0.11 0.04 -0.00 -0.04 2.34 2.22 2d2cP1 PRO 16 HA -0.01 0.11 0.28 -0.51 4.44 4.31 2d2cP1 PRO 16 HB2 -0.01 -0.02 -0.01 -0.04 2.28 2.21 2d2cP1 PRO 16 HB3 -0.00 0.03 0.07 -0.04 2.02 2.08 2d2cP1 PRO 16 HG2 0.01 0.02 0.06 -0.04 2.03 2.08 2d2cP1 PRO 16 HG3 0.01 0.08 0.06 -0.04 2.03 2.14 2d2cP1 PRO 16 HD2 -0.01 0.04 0.15 -0.04 3.68 3.83 2d2cP1 PRO 16 HD3 -0.01 0.18 0.19 -0.04 3.65 3.98 2d2cP1 THR 17 H -0.03 -0.04 -0.51 -0.55 8.28 7.16 2d2cP1 THR 17 HA -0.03 0.10 0.46 -0.75 4.39 4.17 2d2cP1 THR 17 HB -0.03 0.04 -0.01 -0.04 4.32 4.28 2d2cP1 THR 17 HG23 -0.02 0.00 -0.02 -0.04 1.22 1.15 2d2cP1 GLY 18 H -0.05 -0.26 0.07 -0.55 8.43 7.64 2d2cP1 GLY 18 HA2 -0.11 0.10 0.19 -0.51 4.01 3.68 2d2cP1 GLY 18 HA3 -0.11 0.09 0.44 -0.51 4.01 3.91 2d2cP1 ARG 19 H -0.05 -0.20 0.15 -0.55 8.46 7.81 2d2cP1 ARG 19 HA -0.04 0.26 0.84 -0.75 4.34 4.65 2d2cP1 ARG 19 HB2 -0.02 0.09 0.06 -0.04 1.90 1.99 2d2cP1 ARG 19 HB3 -0.05 -0.00 -0.00 -0.04 1.80 1.71 2d2cP1 ARG 19 HG2 -0.03 -0.09 -0.01 -0.04 1.67 1.50 2d2cP1 ARG 19 HG3 -0.02 -0.02 -0.38 -0.04 1.67 1.21 2d2cP1 ARG 19 HD2 0.03 0.07 -0.10 -0.04 3.22 3.17 2d2cP1 ARG 19 HD3 -0.01 0.00 -0.08 -0.04 3.22 3.10 2d2cP1 ILE 20 H 0.10 0.21 0.13 -0.55 8.25 8.15 2d2cP1 ILE 20 HA -0.01 0.38 0.89 -0.75 4.18 4.68 2d2cP1 ILE 20 HB 0.10 -0.08 -0.07 -0.04 1.89 1.80 2d2cP1 ILE 20 HG12 0.18 -0.01 0.08 -0.04 1.49 1.70 2d2cP1 ILE 20 HG13 0.16 0.00 -0.09 -0.04 1.21 1.25 2d2cP1 ILE 20 HG23 -0.00 0.00 -0.23 -0.04 0.93 0.65 2d2cP1 ILE 20 HD13 0.03 0.00 -0.33 -0.04 0.88 0.54 2d2cP1 VAL 21 H -0.08 0.54 0.24 -0.55 8.24 8.39 2d2cP1 VAL 21 HA -0.15 0.00 0.26 -0.75 4.13 3.49 2d2cP1 VAL 21 HB -0.04 -0.01 0.00 -0.04 2.12 2.03 2d2cP1 VAL 21 HG13 -0.22 0.01 -0.10 -0.04 0.97 0.62 2d2cP1 VAL 21 HG23 -0.32 0.07 0.15 -0.04 0.95 0.80 2d2cP1 CYS 22 H -0.07 0.02 -0.56 -0.55 8.50 7.34 2d2cP1 CYS 22 HA -0.18 0.02 0.19 -0.75 4.58 3.85 2d2cP1 CYS 22 HB2 -0.73 -0.01 -0.05 -0.04 2.97 2.14 2d2cP1 CYS 22 HB3 -1.27 0.09 -0.15 -0.04 2.97 1.61 2d2cP1 ALA 23 H 0.20 0.25 -0.32 -0.55 8.40 7.98 2d2cP1 ALA 23 HA 0.16 0.30 0.39 -0.75 4.34 4.43 2d2cP1 ALA 23 HB3 0.29 -0.02 0.03 -0.04 1.41 1.67 2d2cP1 ASN 24 H 0.03 0.57 -0.10 -0.55 8.53 8.48 2d2cP1 ASN 24 HA 0.05 -0.03 0.32 -0.75 4.76 4.35 2d2cP1 ASN 24 HB2 -0.06 -0.09 0.10 -0.04 2.88 2.79 2d2cP1 ASN 24 HB3 0.02 0.04 -0.01 -0.04 2.79 2.79 2d2cP1 ASN 24 HD21 0.13 -0.05 0.04 -0.04 7.03 7.11 2d2cP1 ASN 24 HD22 0.14 0.04 0.14 -0.04 7.74 8.01 2d2cP1 CYS 25 H 0.06 0.12 -1.84 -0.55 8.50 6.30 2d2cP1 CYS 25 HA 0.08 -0.00 0.36 -0.75 4.58 4.26 2d2cP1 CYS 25 HB2 0.11 0.04 -0.38 -0.04 2.97 2.71 2d2cP1 CYS 25 HB3 0.12 -0.36 0.12 -0.04 2.97 2.80 2d2cP1 HIS 26 H 0.11 0.13 0.11 -0.55 8.41 8.21 2d2cP1 HIS 26 HA -0.05 -0.40 0.51 -0.75 4.63 3.93 2d2cP1 HIS 26 HB2 -0.13 -0.04 0.22 -0.04 3.26 3.28 2d2cP1 HIS 26 HB3 -0.17 0.13 0.16 -0.04 3.20 3.27 2d2cP1 HIS 26 HD2 -0.27 -0.11 -0.11 -0.04 6.97 6.43 2d2cP1 HIS 26 HE1 -0.07 -0.17 -0.11 -0.04 7.75 7.35 2d2cP1 LEU 27 H 0.02 -0.08 0.21 -0.55 8.37 7.97 2d2cP1 LEU 27 HA 0.22 0.09 0.90 -0.75 4.35 4.80 2d2cP1 LEU 27 HB2 0.08 -0.01 0.08 -0.04 1.64 1.75 2d2cP1 LEU 27 HB3 0.08 0.26 0.19 -0.04 1.64 2.13 2d2cP1 LEU 27 HG -0.00 -0.17 0.19 -0.04 1.64 1.61 2d2cP1 LEU 27 HD13 -0.00 -0.01 -0.04 -0.04 0.93 0.84 2d2cP1 LEU 27 HD23 0.02 0.01 -0.00 -0.04 0.89 0.87 2d2cP1 ALA 28 H 0.27 0.16 0.11 -0.55 8.40 8.39 2d2cP1 ALA 28 HA 0.08 0.21 0.74 -0.75 4.34 4.61 2d2cP1 ALA 28 HB3 0.22 0.09 -0.48 -0.04 1.41 1.20 2d2cP1 ALA 29 H 0.06 0.17 0.18 -0.55 8.40 8.27 2d2cP1 ALA 29 HA -0.01 0.19 0.41 -0.75 4.34 4.18 2d2cP1 ALA 29 HB3 0.00 0.04 0.06 -0.04 1.41 1.47 2d2cP1 LYS 30 H 0.03 -0.03 0.06 -0.55 8.42 7.93 2d2cP1 LYS 30 HA 0.02 0.18 0.86 -0.75 4.32 4.63 2d2cP1 LYS 30 HB2 0.06 -0.11 -0.05 -0.04 1.87 1.73 2d2cP1 LYS 30 HB3 0.07 0.05 0.01 -0.04 1.79 1.87 2d2cP1 LYS 30 HG2 0.03 0.02 -0.21 -0.04 1.46 1.26 2d2cP1 LYS 30 HG3 0.04 0.05 -0.08 -0.04 1.46 1.42 2d2cP1 LYS 30 HD2 0.09 -0.08 -0.01 -0.04 1.69 1.65 2d2cP1 LYS 30 HD3 0.04 0.03 0.04 -0.04 1.68 1.75 2d2cP1 LYS 30 HE2 0.02 0.02 -0.05 -0.04 2.99 2.94 2d2cP1 LYS 30 HE3 0.05 -0.10 0.00 -0.04 2.99 2.90 2d2cP1 PRO 31 HA -0.02 0.13 0.46 -0.51 4.44 4.50 2d2cP1 PRO 31 HB2 0.02 -0.01 0.03 -0.04 2.28 2.28 2d2cP1 PRO 31 HB3 -0.00 0.01 0.13 -0.04 2.02 2.12 2d2cP1 PRO 31 HG2 0.02 -0.02 0.07 -0.04 2.03 2.05 2d2cP1 PRO 31 HG3 0.00 0.08 0.03 -0.04 2.03 2.10 2d2cP1 PRO 31 HD2 0.05 0.05 0.12 -0.04 3.68 3.86 2d2cP1 PRO 31 HD3 0.03 0.16 0.20 -0.04 3.65 4.00 2d2cP1 ALA 32 H -0.01 0.13 0.07 -0.55 8.40 8.04 2d2cP1 ALA 32 HA 0.02 0.11 0.34 -0.75 4.34 4.05 2d2cP1 ALA 32 HB3 0.01 0.04 0.10 -0.04 1.41 1.52 2d2cP1 GLU 33 H 0.01 0.59 0.13 -0.55 8.60 8.78 2d2cP1 GLU 33 HA -0.01 0.16 0.89 -0.75 4.29 4.58 2d2cP1 GLU 33 HB2 -0.01 -0.02 -0.09 -0.04 2.09 1.94 2d2cP1 GLU 33 HB3 0.00 -0.02 0.01 -0.04 1.99 1.94 2d2cP1 GLU 33 HG2 -0.01 -0.07 -0.08 -0.04 2.34 2.14 2d2cP1 GLU 33 HG3 -0.01 0.02 0.05 -0.04 2.34 2.36 2d2cP1 VAL 34 H -0.02 0.10 -0.03 -0.55 8.24 7.74 2d2cP1 VAL 34 HA -0.04 0.39 0.80 -0.75 4.13 4.53 2d2cP1 VAL 34 HB -0.09 0.05 0.02 -0.04 2.12 2.06 2d2cP1 VAL 34 HG13 -0.06 -0.02 -0.30 -0.04 0.97 0.55 2d2cP1 VAL 34 HG23 -0.03 -0.01 -0.10 -0.04 0.95 0.76 2d2cP1 GLU 35 H -0.01 0.06 0.03 -0.55 8.60 8.14 2d2cP1 GLU 35 HA -0.02 0.22 0.89 -0.75 4.29 4.63 2d2cP1 GLU 35 HB2 -0.01 -0.09 0.08 -0.04 2.09 2.04 2d2cP1 GLU 35 HB3 -0.00 -0.01 -0.06 -0.04 1.99 1.87 2d2cP1 GLU 35 HG2 -0.01 -0.04 -0.01 -0.04 2.34 2.24 2d2cP1 GLU 35 HG3 -0.02 0.09 0.07 -0.04 2.34 2.44 2d2cP1 VAL 36 H -0.02 0.32 0.21 -0.55 8.24 8.20 2d2cP1 VAL 36 HA 0.02 0.02 0.55 -0.75 4.13 3.97 2d2cP1 VAL 36 HB 0.06 0.14 0.06 -0.04 2.12 2.34 2d2cP1 VAL 36 HG13 0.04 -0.04 -0.27 -0.04 0.97 0.66 2d2cP1 VAL 36 HG23 -0.04 0.03 -0.16 -0.04 0.95 0.74 2d2cP1 PRO 37 HA -0.05 -0.07 0.35 -0.51 4.44 4.17 2d2cP1 PRO 37 HB2 -0.15 0.15 -0.15 -0.04 2.28 2.09 2d2cP1 PRO 37 HB3 -0.06 -0.04 0.10 -0.04 2.02 1.97 2d2cP1 PRO 37 HG2 -0.40 0.09 -0.09 -0.04 2.03 1.59 2d2cP1 PRO 37 HG3 -0.17 -0.02 0.04 -0.04 2.03 1.83 2d2cP1 PRO 37 HD2 0.02 0.30 0.12 -0.04 3.68 4.07 2d2cP1 PRO 37 HD3 0.01 0.02 0.11 -0.04 3.65 3.75 2d2cP1 GLN 38 H -0.05 0.04 0.16 -0.55 8.47 8.07 2d2cP1 GLN 38 HA -0.04 0.12 0.48 -0.75 4.36 4.16 2d2cP1 GLN 38 HB2 -0.03 -0.00 0.19 -0.04 2.15 2.27 2d2cP1 GLN 38 HB3 -0.03 -0.13 0.23 -0.04 2.02 2.05 2d2cP1 GLN 38 HG2 -0.02 0.04 0.03 -0.04 2.40 2.41 2d2cP1 GLN 38 HG3 -0.01 -0.02 0.03 -0.04 2.39 2.35 2d2cP1 GLN 38 HE21 0.01 -0.04 -0.14 -0.04 6.97 6.75 2d2cP1 GLN 38 HE22 -0.01 0.02 -0.13 -0.04 7.69 7.53 2d2cP1 SER 39 H -0.05 0.06 0.05 -0.55 8.46 7.97 2d2cP1 SER 39 HA -0.06 0.33 1.07 -0.75 4.49 5.09 2d2cP1 SER 39 HB2 -0.00 0.05 -0.09 -0.04 3.95 3.87 2d2cP1 SER 39 HB3 -0.00 -0.03 -0.09 -0.04 3.93 3.76 2d2cP1 VAL 40 H -0.09 0.73 0.32 -0.55 8.24 8.66 2d2cP1 VAL 40 HA -0.18 0.09 0.85 -0.75 4.13 4.13 2d2cP1 VAL 40 HB -0.42 0.05 -0.01 -0.04 2.12 1.70 2d2cP1 VAL 40 HG13 -1.41 0.01 -0.18 -0.04 0.97 -0.65 2d2cP1 VAL 40 HG23 -0.07 0.01 -0.14 -0.04 0.95 0.71 2d2cP1 LEU 41 H 0.03 0.12 0.10 -0.55 8.37 8.08 2d2cP1 LEU 41 HA 0.04 0.10 0.87 -0.75 4.35 4.61 2d2cP1 LEU 41 HB2 0.04 -0.02 0.06 -0.04 1.64 1.69 2d2cP1 LEU 41 HB3 0.03 0.11 0.07 -0.04 1.64 1.81 2d2cP1 LEU 41 HG 0.02 -0.02 0.01 -0.04 1.64 1.62 2d2cP1 LEU 41 HD13 0.04 -0.00 -0.01 -0.04 0.93 0.93 2d2cP1 LEU 41 HD23 0.01 -0.04 -0.15 -0.04 0.89 0.67 2d2cP1 PRO 42 HA -0.10 0.26 0.41 -0.51 4.44 4.51 2d2cP1 PRO 42 HB2 -0.07 -0.08 0.06 -0.04 2.28 2.15 2d2cP1 PRO 42 HB3 -0.12 0.01 0.14 -0.04 2.02 2.00 2d2cP1 PRO 42 HG2 0.00 0.03 0.07 -0.04 2.03 2.10 2d2cP1 PRO 42 HG3 0.04 -0.03 0.09 -0.04 2.03 2.08 2d2cP1 PRO 42 HD2 0.04 0.05 0.25 -0.04 3.68 3.97 2d2cP1 PRO 42 HD3 0.04 0.11 0.22 -0.04 3.65 3.98 2d2cP1 ASP 43 H -0.13 0.41 -0.23 -0.55 8.40 7.91 2d2cP1 ASP 43 HA -0.09 0.07 0.37 -0.75 4.63 4.22 2d2cP1 ASP 43 HB2 -0.05 -0.13 -0.12 -0.04 2.71 2.37 2d2cP1 ASP 43 HB3 -0.03 0.17 0.04 -0.04 2.70 2.85 2d2cP1 THR 44 H -0.04 0.11 0.11 -0.55 8.28 7.91 2d2cP1 THR 44 HA 0.02 0.11 0.88 -0.75 4.39 4.63 2d2cP1 THR 44 HB 0.18 0.20 -0.04 -0.04 4.32 4.62 2d2cP1 THR 44 HG23 0.13 -0.00 -0.10 -0.04 1.22 1.20 2d2cP1 VAL 45 H 0.02 0.14 0.19 -0.55 8.24 8.03 2d2cP1 VAL 45 HA -0.16 0.18 0.61 -0.75 4.13 4.01 2d2cP1 VAL 45 HB -0.00 -0.01 0.16 -0.04 2.12 2.23 2d2cP1 VAL 45 HG13 -0.04 -0.00 -0.12 -0.04 0.97 0.77 2d2cP1 VAL 45 HG23 -0.04 -0.07 0.04 -0.04 0.95 0.84 2d2cP1 PHE 46 H -0.42 0.96 0.43 -0.55 8.34 8.75 2d2cP1 PHE 46 HA 0.03 0.05 0.70 -0.75 4.62 4.65 2d2cP1 PHE 46 HB2 0.04 -0.13 0.17 -0.04 3.15 3.19 2d2cP1 PHE 46 HB3 0.04 -0.02 -0.17 -0.04 3.06 2.86 2d2cP1 PHE 46 HD2 0.06 0.14 -0.23 -0.04 7.28 7.20 2d2cP1 PHE 46 HE2 0.16 -0.02 -0.12 -0.04 7.38 7.37 2d2cP1 PHE 46 HZ 0.45 -0.02 -0.14 -0.04 7.32 7.57 2d2cP1 LYS 47 H 0.28 0.04 0.17 -0.55 8.42 8.35 2d2cP1 LYS 47 HA 0.14 0.13 0.45 -0.75 4.32 4.29 2d2cP1 LYS 47 HB2 0.12 -0.01 0.08 -0.04 1.87 2.02 2d2cP1 LYS 47 HB3 0.10 -0.08 0.11 -0.04 1.79 1.88 2d2cP1 LYS 47 HG2 0.08 0.03 -0.04 -0.04 1.46 1.50 2d2cP1 LYS 47 HG3 0.10 -0.02 0.08 -0.04 1.46 1.58 2d2cP1 LYS 47 HD2 0.05 -0.02 0.01 -0.04 1.69 1.68 2d2cP1 LYS 47 HD3 0.05 0.01 -0.01 -0.04 1.68 1.68 2d2cP1 LYS 47 HE2 0.04 0.04 -0.05 -0.04 2.99 2.97 2d2cP1 LYS 47 HE3 0.04 -0.02 -0.02 -0.04 2.99 2.95 2d2cP1 ALA 48 H 0.13 -0.03 0.03 -0.55 8.40 7.99 2d2cP1 ALA 48 HA 0.10 0.08 0.44 -0.75 4.34 4.21 2d2cP1 ALA 48 HB3 0.13 0.10 0.05 -0.04 1.41 1.65 2d2cP1 VAL 49 H 0.06 0.24 0.20 -0.55 8.24 8.19 2d2cP1 VAL 49 HA 0.13 0.12 0.53 -0.75 4.13 4.16 2d2cP1 VAL 49 HB 0.04 -0.00 0.03 -0.04 2.12 2.15 2d2cP1 VAL 49 HG13 0.04 -0.03 0.01 -0.04 0.97 0.95 2d2cP1 VAL 49 HG23 0.02 0.04 -0.02 -0.04 0.95 0.95 2d2cP1 VAL 50 H 0.11 0.70 0.08 -0.55 8.24 8.59 2d2cP1 VAL 50 HA 0.01 0.19 0.97 -0.75 4.13 4.55 2d2cP1 VAL 50 HB 0.23 0.10 0.11 -0.04 2.12 2.52 2d2cP1 VAL 50 HG13 0.02 -0.02 0.01 -0.04 0.97 0.93 2d2cP1 VAL 50 HG23 -0.20 -0.00 -0.27 -0.04 0.95 0.43 2d2cP1 LYS 51 H 0.02 -0.08 -0.12 -0.55 8.42 7.68 2d2cP1 LYS 51 HA 0.03 0.25 0.51 -0.75 4.32 4.35 2d2cP1 LYS 51 HB2 0.01 -0.12 0.04 -0.04 1.87 1.76 2d2cP1 LYS 51 HB3 0.00 -0.02 -0.00 -0.04 1.79 1.73 2d2cP1 LYS 51 HG2 -0.00 -0.03 -0.01 -0.04 1.46 1.38 2d2cP1 LYS 51 HG3 0.01 0.03 0.04 -0.04 1.46 1.51 2d2cP1 LYS 51 HD2 0.02 -0.01 -0.06 -0.04 1.69 1.60 2d2cP1 LYS 51 HD3 0.00 -0.05 -0.04 -0.04 1.68 1.55 2d2cP1 LYS 51 HE2 0.01 0.01 -0.03 -0.04 2.99 2.94 2d2cP1 LYS 51 HE3 0.01 -0.01 -0.03 -0.04 2.99 2.91 2d2cP1 ILE 52 H 0.01 0.23 0.15 -0.55 8.25 8.08 2d2cP1 ILE 52 HA 0.04 0.02 0.64 -0.75 4.18 4.13 2d2cP1 ILE 52 HB 0.07 -0.06 0.17 -0.04 1.89 2.04 2d2cP1 ILE 52 HG12 0.06 0.03 -0.09 -0.04 1.49 1.45 2d2cP1 ILE 52 HG13 0.06 0.27 -0.57 -0.04 1.21 0.93 2d2cP1 ILE 52 HG23 0.13 -0.00 -0.03 -0.04 0.93 0.98 2d2cP1 ILE 52 HD13 0.08 -0.02 -0.05 -0.04 0.88 0.84 2d2cP1 PRO 53 HA -0.08 0.00 0.18 -0.51 4.44 4.04 2d2cP1 PRO 53 HB2 0.05 -0.19 0.16 -0.04 2.28 2.26 2d2cP1 PRO 53 HB3 0.00 -0.01 0.08 -0.04 2.02 2.05 2d2cP1 PRO 53 HG2 0.07 0.17 -0.22 -0.04 2.03 2.00 2d2cP1 PRO 53 HG3 0.02 -0.09 -0.13 -0.04 2.03 1.79 2d2cP1 PRO 53 HD2 0.03 0.22 -0.04 -0.04 3.68 3.86 2d2cP1 PRO 53 HD3 0.01 0.04 -0.07 -0.04 3.65 3.58 2d2cP1 TYR 54 H 0.06 0.01 0.05 -0.55 8.29 7.85 2d2cP1 TYR 54 HA 0.01 -0.07 0.38 -0.75 4.56 4.12 2d2cP1 TYR 54 HB2 0.01 -0.02 0.01 -0.04 3.06 3.02 2d2cP1 TYR 54 HB3 0.01 -0.03 -0.25 -0.04 2.98 2.67 2d2cP1 TYR 54 HD2 0.01 0.08 -0.39 -0.04 7.15 6.81 2d2cP1 TYR 54 HE2 0.01 -0.00 -0.10 -0.04 6.85 6.72 2d2cP1 ASP 55 H 0.09 0.06 0.12 -0.55 8.40 8.12 2d2cP1 ASP 55 HA -0.09 0.10 0.48 -0.75 4.63 4.37 2d2cP1 ASP 55 HB2 0.03 -0.11 0.05 -0.04 2.71 2.64 2d2cP1 ASP 55 HB3 0.00 0.05 0.12 -0.04 2.70 2.83 2d2cP1 THR 56 H -0.09 0.16 0.20 -0.55 8.28 7.99 2d2cP1 THR 56 HA 0.25 0.14 0.35 -0.75 4.39 4.37 2d2cP1 THR 56 HB 0.06 0.04 0.15 -0.04 4.32 4.53 2d2cP1 THR 56 HG23 -0.08 0.01 0.12 -0.04 1.22 1.23 2d2cP1 LYS 57 H 0.07 -0.15 -0.93 -0.55 8.42 6.85 2d2cP1 LYS 57 HA 0.05 0.01 0.27 -0.75 4.32 3.90 2d2cP1 LYS 57 HB2 0.06 0.02 -0.04 -0.04 1.87 1.87 2d2cP1 LYS 57 HB3 0.04 0.00 0.02 -0.04 1.79 1.82 2d2cP1 LYS 57 HG2 0.03 0.03 0.01 -0.04 1.46 1.48 2d2cP1 LYS 57 HG3 0.03 -0.12 -0.02 -0.04 1.46 1.31 2d2cP1 LYS 57 HD2 0.03 -0.04 0.02 -0.04 1.69 1.67 2d2cP1 LYS 57 HD3 0.02 0.03 0.00 -0.04 1.68 1.69 2d2cP1 LYS 57 HE2 0.01 0.00 0.01 -0.04 2.99 2.97 2d2cP1 LYS 57 HE3 0.01 0.02 0.01 -0.04 2.99 2.99 2d2cP1 LEU 58 H 0.20 0.45 -0.51 -0.55 8.37 7.96 2d2cP1 LEU 58 HA 0.03 -0.01 0.39 -0.75 4.35 4.01 2d2cP1 LEU 58 HB2 0.06 0.08 -0.03 -0.04 1.64 1.70 2d2cP1 LEU 58 HB3 -0.12 -0.06 -0.09 -0.04 1.64 1.33 2d2cP1 LEU 58 HG 0.01 -0.01 -0.01 -0.04 1.64 1.59 2d2cP1 LEU 58 HD13 0.17 0.10 -0.00 -0.04 0.93 1.16 2d2cP1 LEU 58 HD23 -0.03 -0.00 -0.05 -0.04 0.89 0.77 2d2cP1 GLN 59 H -0.02 0.17 0.03 -0.55 8.47 8.11 2d2cP1 GLN 59 HA -0.02 0.03 0.51 -0.75 4.36 4.12 2d2cP1 GLN 59 HB2 0.01 0.09 -0.19 -0.04 2.15 2.03 2d2cP1 GLN 59 HB3 0.00 -0.08 0.07 -0.04 2.02 1.97 2d2cP1 GLN 59 HG2 -0.01 0.19 -0.28 -0.04 2.40 2.27 2d2cP1 GLN 59 HG3 0.00 -0.10 -0.33 -0.04 2.39 1.93 2d2cP1 GLN 59 HE21 0.01 -0.05 -0.01 -0.04 6.97 6.88 2d2cP1 GLN 59 HE22 0.01 -0.08 -0.07 -0.04 7.69 7.51 2d2cP1 GLN 60 H -0.05 0.13 0.06 -0.55 8.47 8.07 2d2cP1 GLN 60 HA -0.03 0.12 0.65 -0.75 4.36 4.34 2d2cP1 GLN 60 HB2 -0.05 -0.16 0.12 -0.04 2.15 2.03 2d2cP1 GLN 60 HB3 -0.08 -0.04 0.07 -0.04 2.02 1.93 2d2cP1 GLN 60 HG2 -0.06 0.13 0.03 -0.04 2.40 2.46 2d2cP1 GLN 60 HG3 -0.04 0.13 -0.48 -0.04 2.39 1.97 2d2cP1 GLN 60 HE21 -0.06 -0.09 -0.02 -0.04 6.97 6.76 2d2cP1 GLN 60 HE22 -0.04 0.06 -0.21 -0.04 7.69 7.46 2d2cP1 VAL 61 H -0.02 0.04 0.10 -0.55 8.24 7.81 2d2cP1 VAL 61 HA -0.01 0.16 0.34 -0.75 4.13 3.86 2d2cP1 VAL 61 HB -0.00 -0.08 0.21 -0.04 2.12 2.21 2d2cP1 VAL 61 HG13 -0.01 0.03 0.07 -0.04 0.97 1.02 2d2cP1 VAL 61 HG23 -0.00 -0.01 0.08 -0.04 0.95 0.98 2d2cP1 ALA 62 H 0.00 0.33 0.14 -0.55 8.40 8.32 2d2cP1 ALA 62 HA 0.00 0.11 0.22 -0.75 4.34 3.91 2d2cP1 ALA 62 HB3 0.01 0.06 -0.02 -0.04 1.41 1.42 2d2cP1 ALA 63 H 0.03 0.20 0.11 -0.55 8.40 8.20 2d2cP1 ALA 63 HA 0.08 0.11 0.48 -0.75 4.34 4.26 2d2cP1 ALA 63 HB3 0.08 0.02 0.09 -0.04 1.41 1.56 2d2cP1 ASP 64 H 0.03 0.06 -0.08 -0.55 8.40 7.86 2d2cP1 ASP 64 HA 0.03 0.22 0.55 -0.75 4.63 4.67 2d2cP1 ASP 64 HB2 0.02 0.04 0.07 -0.04 2.71 2.81 2d2cP1 ASP 64 HB3 0.03 0.02 0.01 -0.04 2.70 2.72 2d2cP1 GLY 65 H 0.01 -0.02 -0.78 -0.55 8.43 7.10 2d2cP1 GLY 65 HA2 -0.01 0.00 0.22 -0.51 4.01 3.71 2d2cP1 GLY 65 HA3 -0.03 0.24 0.72 -0.51 4.01 4.42 2d2cP1 SER 66 H -0.00 0.14 -0.47 -0.55 8.46 7.58 2d2cP1 SER 66 HA -0.00 0.01 0.27 -0.75 4.49 4.01 2d2cP1 SER 66 HB2 0.01 0.08 -0.04 -0.04 3.95 3.95 2d2cP1 SER 66 HB3 0.01 -0.00 0.02 -0.04 3.93 3.91 2d2cP1 LYS 67 H -0.01 -0.01 0.16 -0.55 8.42 8.01 2d2cP1 LYS 67 HA -0.01 0.06 0.39 -0.75 4.32 4.00 2d2cP1 LYS 67 HB2 -0.00 -0.11 0.16 -0.04 1.87 1.88 2d2cP1 LYS 67 HB3 -0.00 0.10 -0.04 -0.04 1.79 1.81 2d2cP1 LYS 67 HG2 -0.01 -0.05 0.11 -0.04 1.46 1.47 2d2cP1 LYS 67 HG3 -0.01 -0.05 0.05 -0.04 1.46 1.42 2d2cP1 LYS 67 HD2 -0.01 -0.01 -0.07 -0.04 1.69 1.55 2d2cP1 LYS 67 HD3 -0.01 -0.06 0.03 -0.04 1.68 1.60 2d2cP1 LYS 67 HE2 -0.01 -0.08 0.04 -0.04 2.99 2.90 2d2cP1 LYS 67 HE3 -0.01 0.25 -0.04 -0.04 2.99 3.15 2d2cP1 VAL 68 H -0.01 0.95 0.61 -0.55 8.24 9.24 2d2cP1 VAL 68 HA 0.00 0.03 0.72 -0.75 4.13 4.13 2d2cP1 VAL 68 HB 0.00 -0.40 0.27 -0.04 2.12 1.95 2d2cP1 VAL 68 HG13 0.00 -0.02 -0.27 -0.04 0.97 0.65 2d2cP1 VAL 68 HG23 0.00 0.10 0.07 -0.04 0.95 1.09 2d2cP1 GLY 69 H 0.00 0.03 0.18 -0.55 8.43 8.09 2d2cP1 GLY 69 HA2 0.00 0.01 0.44 -0.51 4.01 3.95 2d2cP1 GLY 69 HA3 -0.00 -0.01 0.37 -0.51 4.01 3.86 2d2cP1 LEU 70 H -0.00 0.15 0.27 -0.55 8.37 8.24 2d2cP1 LEU 70 HA -0.06 0.11 0.93 -0.75 4.35 4.58 2d2cP1 LEU 70 HB2 -0.14 0.03 -0.04 -0.04 1.64 1.45 2d2cP1 LEU 70 HB3 -0.12 -0.05 -0.00 -0.04 1.64 1.43 2d2cP1 LEU 70 HG 0.01 -0.00 0.12 -0.04 1.64 1.73 2d2cP1 LEU 70 HD13 0.11 -0.01 0.05 -0.04 0.93 1.03 2d2cP1 LEU 70 HD23 -0.04 0.02 -0.14 -0.04 0.89 0.69 2d2cP1 ASN 71 H -0.07 0.11 0.20 -0.55 8.53 8.22 2d2cP1 ASN 71 HA -0.01 0.13 0.98 -0.75 4.76 5.12 2d2cP1 ASN 71 HB2 -0.08 -0.08 -0.00 -0.04 2.88 2.67 2d2cP1 ASN 71 HB3 -0.07 0.09 -0.05 -0.04 2.79 2.72 2d2cP1 ASN 71 HD21 -0.01 -0.07 -0.02 -0.04 7.03 6.89 2d2cP1 ASN 71 HD22 -0.02 0.33 0.16 -0.04 7.74 8.18 2d2cP1 VAL 72 H 0.01 0.12 0.15 -0.55 8.24 7.97 2d2cP1 VAL 72 HA -0.02 0.20 0.98 -0.75 4.13 4.54 2d2cP1 VAL 72 HB 0.07 0.17 0.05 -0.04 2.12 2.37 2d2cP1 VAL 72 HG13 0.16 -0.01 -0.13 -0.04 0.97 0.96 2d2cP1 VAL 72 HG23 0.08 -0.03 0.11 -0.04 0.95 1.07 2d2cP1 GLY 73 H -0.07 0.26 0.04 -0.55 8.43 8.11 2d2cP1 GLY 73 HA2 -0.01 0.30 0.87 -0.51 4.01 4.65 2d2cP1 GLY 73 HA3 -0.12 -0.03 0.33 -0.51 4.01 3.68 2d2cP1 ALA 74 H -0.04 0.26 0.27 -0.55 8.40 8.35 2d2cP1 ALA 74 HA -0.04 0.07 0.51 -0.75 4.34 4.13 2d2cP1 ALA 74 HB3 0.05 0.07 0.05 -0.04 1.41 1.54 2d2cP1 VAL 75 H 0.01 0.41 0.25 -0.55 8.24 8.36 2d2cP1 VAL 75 HA 0.04 0.16 0.69 -0.75 4.13 4.27 2d2cP1 VAL 75 HB 0.03 0.04 -0.03 -0.04 2.12 2.12 2d2cP1 VAL 75 HG13 0.02 0.06 -0.05 -0.04 0.97 0.95 2d2cP1 VAL 75 HG23 0.04 -0.00 -0.02 -0.04 0.95 0.92 2d2cP1 LEU 76 H -0.01 0.38 0.26 -0.55 8.37 8.47 2d2cP1 LEU 76 HA -0.07 0.12 0.78 -0.75 4.35 4.43 2d2cP1 LEU 76 HB2 -0.24 0.05 -0.35 -0.04 1.64 1.05 2d2cP1 LEU 76 HB3 -0.22 0.00 -0.07 -0.04 1.64 1.31 2d2cP1 LEU 76 HG -0.18 0.05 -0.04 -0.04 1.64 1.43 2d2cP1 LEU 76 HD13 -0.62 -0.00 -0.17 -0.04 0.93 0.11 2d2cP1 LEU 76 HD23 -0.18 -0.02 -0.53 -0.04 0.89 0.12 2d2cP1 MET 77 H -0.07 0.76 0.33 -0.55 8.47 8.94 2d2cP1 MET 77 HA -0.06 0.14 1.04 -0.75 4.52 4.89 2d2cP1 MET 77 HB2 -0.04 -0.07 0.05 -0.04 2.15 2.04 2d2cP1 MET 77 HB3 -0.15 -0.25 0.25 -0.04 2.03 1.84 2d2cP1 MET 77 HG2 -0.15 0.31 -0.38 -0.04 2.63 2.37 2d2cP1 MET 77 HG3 -0.07 -0.04 -0.02 -0.04 2.56 2.39 2d2cP1 MET 77 HE3 -0.20 -0.02 -0.20 -0.04 2.10 1.64 2d2cP1 LEU 78 H -0.05 0.74 0.21 -0.55 8.37 8.73 2d2cP1 LEU 78 HA -0.12 0.06 0.62 -0.75 4.35 4.15 2d2cP1 LEU 78 HB2 -0.01 0.25 0.17 -0.04 1.64 2.00 2d2cP1 LEU 78 HB3 0.04 -0.01 0.02 -0.04 1.64 1.65 2d2cP1 LEU 78 HG -0.03 -0.02 0.05 -0.04 1.64 1.60 2d2cP1 LEU 78 HD13 -0.08 -0.01 -0.12 -0.04 0.93 0.68 2d2cP1 LEU 78 HD23 0.12 -0.02 -0.19 -0.04 0.89 0.77 2d2cP1 PRO 79 HA -0.05 0.05 0.57 -0.51 4.44 4.50 2d2cP1 PRO 79 HB2 -0.51 0.05 0.00 -0.04 2.28 1.78 2d2cP1 PRO 79 HB3 -0.19 0.11 0.04 -0.04 2.02 1.94 2d2cP1 PRO 79 HG2 -1.27 -0.08 0.07 -0.04 2.03 0.72 2d2cP1 PRO 79 HG3 -1.18 0.05 0.03 -0.04 2.03 0.89 2d2cP1 PRO 79 HD2 -0.29 0.08 0.19 -0.04 3.68 3.62 2d2cP1 PRO 79 HD3 -0.32 0.18 0.15 -0.04 3.65 3.63 2d2cP1 GLU 80 H 0.07 0.11 0.17 -0.55 8.60 8.40 2d2cP1 GLU 80 HA 0.04 -0.04 0.37 -0.75 4.29 3.90 2d2cP1 GLU 80 HB2 0.16 0.01 0.21 -0.04 2.09 2.42 2d2cP1 GLU 80 HB3 0.11 0.03 0.12 -0.04 1.99 2.22 2d2cP1 GLU 80 HG2 0.10 0.01 0.04 -0.04 2.34 2.45 2d2cP1 GLU 80 HG3 0.05 -0.02 0.01 -0.04 2.34 2.34 2d2cP1 GLY 81 H 0.03 0.07 0.12 -0.55 8.43 8.10 2d2cP1 GLY 81 HA2 -0.03 -0.07 0.35 -0.51 4.01 3.74 2d2cP1 GLY 81 HA3 -0.05 0.17 0.79 -0.51 4.01 4.41 2d2cP1 PHE 82 H 0.33 0.63 -0.28 -0.55 8.34 8.46 2d2cP1 PHE 82 HA -0.07 -0.04 0.47 -0.75 4.62 4.22 2d2cP1 PHE 82 HB2 -0.06 0.18 0.15 -0.04 3.15 3.37 2d2cP1 PHE 82 HB3 -0.04 0.05 -0.03 -0.04 3.06 3.01 2d2cP1 PHE 82 HD2 -0.04 0.08 -0.09 -0.04 7.28 7.19 2d2cP1 PHE 82 HE2 0.17 -0.00 -0.09 -0.04 7.38 7.42 2d2cP1 PHE 82 HZ -0.01 -0.04 -0.14 -0.04 7.32 7.09 2d2cP1 LYS 83 H -0.13 0.20 0.17 -0.55 8.42 8.10 2d2cP1 LYS 83 HA 0.02 0.24 0.68 -0.75 4.32 4.51 2d2cP1 LYS 83 HB2 -0.01 -0.03 0.06 -0.04 1.87 1.84 2d2cP1 LYS 83 HB3 -0.03 -0.00 -0.08 -0.04 1.79 1.64 2d2cP1 LYS 83 HG2 -0.10 -0.05 -0.29 -0.04 1.46 0.97 2d2cP1 LYS 83 HG3 -0.07 -0.04 -0.14 -0.04 1.46 1.17 2d2cP1 LYS 83 HD2 -0.11 -0.09 -0.06 -0.04 1.69 1.39 2d2cP1 LYS 83 HD3 -0.12 0.37 0.09 -0.04 1.68 1.97 2d2cP1 LYS 83 HE2 -0.19 -0.06 -0.44 -0.04 2.99 2.26 2d2cP1 LYS 83 HE3 -0.27 -0.15 -0.35 -0.04 2.99 2.18 2d2cP1 ILE 84 H 0.03 0.13 0.11 -0.55 8.25 7.98 2d2cP1 ILE 84 HA 0.04 0.16 0.71 -0.75 4.18 4.34 2d2cP1 ILE 84 HB 0.15 0.07 0.10 -0.04 1.89 2.16 2d2cP1 ILE 84 HG12 0.16 -0.07 0.03 -0.04 1.49 1.57 2d2cP1 ILE 84 HG13 0.08 0.10 -0.16 -0.04 1.21 1.19 2d2cP1 ILE 84 HG23 0.06 -0.02 0.13 -0.04 0.93 1.06 2d2cP1 ILE 84 HD13 0.30 0.09 0.09 -0.04 0.88 1.32 2d2cP1 ALA 85 H -0.04 0.25 0.15 -0.55 8.40 8.21 2d2cP1 ALA 85 HA -0.07 -0.03 0.23 -0.75 4.34 3.72 2d2cP1 ALA 85 HB3 -0.05 -0.01 -0.16 -0.04 1.41 1.15 2d2cP1 PRO 86 HA -0.02 0.11 0.59 -0.51 4.44 4.61 2d2cP1 PRO 86 HB2 -0.02 -0.07 -0.02 -0.04 2.28 2.13 2d2cP1 PRO 86 HB3 -0.03 0.08 0.07 -0.04 2.02 2.10 2d2cP1 PRO 86 HG2 -0.03 -0.13 0.08 -0.04 2.03 1.91 2d2cP1 PRO 86 HG3 -0.03 0.06 0.03 -0.04 2.03 2.05 2d2cP1 PRO 86 HD2 -0.05 0.01 0.14 -0.04 3.68 3.74 2d2cP1 PRO 86 HD3 -0.05 0.17 0.06 -0.04 3.65 3.79 2d2cP1 GLU 87 H -0.02 0.14 0.11 -0.55 8.60 8.29 2d2cP1 GLU 87 HA -0.02 0.12 0.22 -0.75 4.29 3.85 2d2cP1 GLU 87 HB2 -0.02 0.05 0.11 -0.04 2.09 2.19 2d2cP1 GLU 87 HB3 -0.02 -0.15 0.14 -0.04 1.99 1.92 2d2cP1 GLU 87 HG2 -0.02 -0.03 -0.03 -0.04 2.34 2.21 2d2cP1 GLU 87 HG3 -0.02 0.04 -0.28 -0.04 2.34 2.03 2d2cP1 GLU 88 H -0.02 0.00 -0.14 -0.55 8.60 7.89 2d2cP1 GLU 88 HA -0.01 0.01 0.28 -0.75 4.29 3.80 2d2cP1 GLU 88 HB2 -0.01 0.03 -0.07 -0.04 2.09 2.00 2d2cP1 GLU 88 HB3 -0.01 -0.02 0.06 -0.04 1.99 1.98 2d2cP1 GLU 88 HG2 -0.02 -0.14 -0.13 -0.04 2.34 2.01 2d2cP1 GLU 88 HG3 -0.02 0.03 -0.03 -0.04 2.34 2.28 2d2cP1 ARG 89 H -0.02 -0.02 -0.34 -0.55 8.46 7.53 2d2cP1 ARG 89 HA -0.01 -0.03 0.38 -0.75 4.34 3.93 2d2cP1 ARG 89 HB2 -0.02 0.11 0.14 -0.04 1.90 2.09 2d2cP1 ARG 89 HB3 -0.01 -0.09 0.21 -0.04 1.80 1.86 2d2cP1 ARG 89 HG2 -0.02 -0.06 0.02 -0.04 1.67 1.57 2d2cP1 ARG 89 HG3 -0.02 0.00 0.04 -0.04 1.67 1.65 2d2cP1 ARG 89 HD2 -0.01 0.02 0.01 -0.04 3.22 3.20 2d2cP1 ARG 89 HD3 -0.01 -0.01 0.02 -0.04 3.22 3.17 2d2cP1 ILE 90 H -0.02 -0.02 0.04 -0.55 8.25 7.71 2d2cP1 ILE 90 HA -0.01 -0.08 0.24 -0.75 4.18 3.57 2d2cP1 ILE 90 HB -0.01 0.31 -0.10 -0.04 1.89 2.05 2d2cP1 ILE 90 HG12 -0.01 -0.12 -0.18 -0.04 1.49 1.14 2d2cP1 ILE 90 HG13 -0.02 0.36 -0.39 -0.04 1.21 1.11 2d2cP1 ILE 90 HG23 -0.01 -0.02 0.04 -0.04 0.93 0.90 2d2cP1 ILE 90 HD13 -0.02 -0.01 -0.20 -0.04 0.88 0.61 2d2cP1 PRO 91 HA 0.00 -0.06 0.32 -0.51 4.44 4.19 2d2cP1 PRO 91 HB2 0.01 -0.00 0.06 -0.04 2.28 2.31 2d2cP1 PRO 91 HB3 0.01 -0.02 0.04 -0.04 2.02 2.01 2d2cP1 PRO 91 HG2 0.02 0.06 0.06 -0.04 2.03 2.13 2d2cP1 PRO 91 HG3 0.01 0.01 0.07 -0.04 2.03 2.08 2d2cP1 PRO 91 HD2 0.01 0.09 0.03 -0.04 3.68 3.77 2d2cP1 PRO 91 HD3 -0.00 -0.05 0.04 -0.04 3.65 3.59 2d2cP1 GLU 92 H -0.00 0.09 0.14 -0.55 8.60 8.29 2d2cP1 GLU 92 HA -0.00 0.02 0.43 -0.75 4.29 3.99 2d2cP1 GLU 92 HB2 -0.00 -0.12 0.20 -0.04 2.09 2.12 2d2cP1 GLU 92 HB3 0.00 0.02 0.00 -0.04 1.99 1.97 2d2cP1 GLU 92 HG2 0.00 0.45 -0.53 -0.04 2.34 2.22 2d2cP1 GLU 92 HG3 0.00 -0.40 -0.05 -0.04 2.34 1.85 2d2cP1 GLU 93 H -0.00 0.11 0.19 -0.55 8.60 8.35 2d2cP1 GLU 93 HA -0.01 0.14 0.57 -0.75 4.29 4.24 2d2cP1 GLU 93 HB2 -0.01 0.01 -0.00 -0.04 2.09 2.05 2d2cP1 GLU 93 HB3 -0.01 0.06 0.10 -0.04 1.99 2.11 2d2cP1 GLU 93 HG2 -0.00 0.04 0.04 -0.04 2.34 2.38 2d2cP1 GLU 93 HG3 -0.00 -0.05 0.16 -0.04 2.34 2.41 2d2cP1 LEU 94 H -0.00 0.04 -0.21 -0.55 8.37 7.65 2d2cP1 LEU 94 HA -0.00 0.01 0.20 -0.75 4.35 3.80 2d2cP1 LEU 94 HB2 0.00 -0.09 0.06 -0.04 1.64 1.57 2d2cP1 LEU 94 HB3 0.01 0.14 -0.10 -0.04 1.64 1.65 2d2cP1 LEU 94 HG 0.01 -0.02 -0.02 -0.04 1.64 1.56 2d2cP1 LEU 94 HD13 0.01 0.01 -0.07 -0.04 0.93 0.84 2d2cP1 LEU 94 HD23 0.00 -0.01 0.02 -0.04 0.89 0.86 2d2cP1 LYS 95 H -0.00 0.23 -1.10 -0.55 8.42 6.99 2d2cP1 LYS 95 HA 0.00 0.06 0.61 -0.75 4.32 4.24 2d2cP1 LYS 95 HB2 0.00 -0.01 0.02 -0.04 1.87 1.84 2d2cP1 LYS 95 HB3 0.01 -0.09 -0.08 -0.04 1.79 1.59 2d2cP1 LYS 95 HG2 0.00 0.69 -0.09 -0.04 1.46 2.03 2d2cP1 LYS 95 HG3 0.01 -0.19 -0.30 -0.04 1.46 0.94 2d2cP1 LYS 95 HD2 0.02 -0.08 -0.19 -0.04 1.69 1.41 2d2cP1 LYS 95 HD3 0.01 -0.25 -0.46 -0.04 1.68 0.94 2d2cP1 LYS 95 HE2 0.01 0.33 -0.03 -0.04 2.99 3.26 2d2cP1 LYS 95 HE3 0.02 -0.09 -0.07 -0.04 2.99 2.82 2d2cP1 LYS 96 H -0.01 0.28 0.09 -0.55 8.42 8.23 2d2cP1 LYS 96 HA -0.02 0.06 0.35 -0.75 4.32 3.96 2d2cP1 LYS 96 HB2 -0.01 -0.14 0.18 -0.04 1.87 1.86 2d2cP1 LYS 96 HB3 -0.02 -0.02 0.04 -0.04 1.79 1.75 2d2cP1 LYS 96 HG2 -0.02 0.01 0.05 -0.04 1.46 1.47 2d2cP1 LYS 96 HG3 -0.01 0.23 0.17 -0.04 1.46 1.81 2d2cP1 LYS 96 HD2 -0.01 -0.22 -0.14 -0.04 1.69 1.27 2d2cP1 LYS 96 HD3 -0.02 -0.07 -0.05 -0.04 1.68 1.50 2d2cP1 LYS 96 HE2 -0.01 0.10 -0.06 -0.04 2.99 2.98 2d2cP1 LYS 96 HE3 -0.01 0.44 -0.17 -0.04 2.99 3.21 2d2cP1 GLU 97 H -0.01 0.42 -0.20 -0.55 8.60 8.26 2d2cP1 GLU 97 HA -0.01 0.01 0.17 -0.75 4.29 3.71 2d2cP1 GLU 97 HB2 -0.00 -0.06 0.07 -0.04 2.09 2.06 2d2cP1 GLU 97 HB3 -0.01 -0.08 -0.01 -0.04 1.99 1.86 2d2cP1 GLU 97 HG2 -0.01 0.02 -0.15 -0.04 2.34 2.16 2d2cP1 GLU 97 HG3 -0.00 -0.10 -0.07 -0.04 2.34 2.13 2d2cP1 VAL 98 H -0.06 0.47 -0.46 -0.55 8.24 7.64 2d2cP1 VAL 98 HA -0.14 0.14 0.96 -0.75 4.13 4.33 2d2cP1 VAL 98 HB -0.08 -0.03 0.05 -0.04 2.12 2.02 2d2cP1 VAL 98 HG13 -0.10 -0.05 -0.04 -0.04 0.97 0.73 2d2cP1 VAL 98 HG23 -0.03 0.08 -0.10 -0.04 0.95 0.86 2d2cP1 GLY 99 H -0.09 0.28 0.09 -0.55 8.43 8.17 2d2cP1 GLY 99 HA2 -0.29 0.07 0.96 -0.51 4.01 4.24 2d2cP1 GLY 99 HA3 -0.05 0.15 0.33 -0.51 4.01 3.93 2d2cP1 ASP 100 H 0.09 0.18 -0.06 -0.55 8.40 8.06 2d2cP1 ASP 100 HA -0.08 0.20 0.86 -0.75 4.63 4.86 2d2cP1 ASP 100 HB2 0.11 -0.04 0.14 -0.04 2.71 2.88 2d2cP1 ASP 100 HB3 0.00 -0.03 0.05 -0.04 2.70 2.68 2d2cP1 VAL 101 H -0.27 0.34 -0.01 -0.55 8.24 7.76 2d2cP1 VAL 101 HA 0.01 0.12 0.69 -0.75 4.13 4.19 2d2cP1 VAL 101 HB 0.17 -0.05 0.15 -0.04 2.12 2.34 2d2cP1 VAL 101 HG13 0.21 -0.01 -0.19 -0.04 0.97 0.94 2d2cP1 VAL 101 HG23 0.37 0.00 -0.18 -0.04 0.95 1.10 2d2cP1 TYR 102 H 0.15 0.11 0.18 -0.55 8.29 8.18 2d2cP1 TYR 102 HA -0.22 0.17 0.85 -0.75 4.56 4.61 2d2cP1 TYR 102 HB2 -0.04 0.00 0.08 -0.04 3.06 3.06 2d2cP1 TYR 102 HB3 0.03 -0.07 0.21 -0.04 2.98 3.11 2d2cP1 TYR 102 HD2 -0.04 -0.02 0.03 -0.04 7.15 7.08 2d2cP1 TYR 102 HE2 -0.02 0.03 -0.04 -0.04 6.85 6.77 2d2cP1 PHE 103 H 0.04 0.22 0.16 -0.55 8.34 8.20 2d2cP1 PHE 103 HA -0.07 0.31 1.04 -0.75 4.62 5.14 2d2cP1 PHE 103 HB2 0.02 -0.05 0.22 -0.04 3.15 3.30 2d2cP1 PHE 103 HB3 0.05 0.09 0.02 -0.04 3.06 3.18 2d2cP1 PHE 103 HD2 -0.02 0.04 -0.36 -0.04 7.28 6.90 2d2cP1 PHE 103 HE2 -0.16 -0.02 -0.10 -0.04 7.38 7.05 2d2cP1 PHE 103 HZ -0.32 0.02 -0.08 -0.04 7.32 6.90 2d2cP1 GLN 104 H -0.17 0.11 0.06 -0.55 8.47 7.92 2d2cP1 GLN 104 HA -0.16 0.24 1.09 -0.75 4.36 4.78 2d2cP1 GLN 104 HB2 -0.17 0.06 0.08 -0.04 2.15 2.08 2d2cP1 GLN 104 HB3 -0.84 -0.12 -0.03 -0.04 2.02 1.00 2d2cP1 GLN 104 HG2 -0.04 0.25 -0.14 -0.04 2.40 2.43 2d2cP1 GLN 104 HG3 -0.13 -0.04 -0.03 -0.04 2.39 2.15 2d2cP1 GLN 104 HE21 0.18 -0.06 -0.12 -0.04 6.97 6.92 2d2cP1 GLN 104 HE22 0.16 0.05 -0.06 -0.04 7.69 7.80 2d2cP1 PRO 105 HA 0.08 0.46 0.55 -0.51 4.44 5.02 2d2cP1 PRO 105 HB2 0.06 -0.02 -0.17 -0.04 2.28 2.10 2d2cP1 PRO 105 HB3 0.07 0.28 -0.04 -0.04 2.02 2.29 2d2cP1 PRO 105 HG2 0.05 -0.11 -0.01 -0.04 2.03 1.92 2d2cP1 PRO 105 HG3 0.06 0.11 0.04 -0.04 2.03 2.19 2d2cP1 PRO 105 HD2 0.01 0.03 0.16 -0.04 3.68 3.84 2d2cP1 PRO 105 HD3 0.01 0.16 0.31 -0.04 3.65 4.09 2d2cP1 TYR 106 H 0.19 0.21 0.04 -0.55 8.29 8.17 2d2cP1 TYR 106 HA 0.06 0.10 0.59 -0.75 4.56 4.56 2d2cP1 TYR 106 HB2 0.05 0.00 0.02 -0.04 3.06 3.09 2d2cP1 TYR 106 HB3 0.05 -0.14 0.24 -0.04 2.98 3.09 2d2cP1 TYR 106 HD2 0.06 -0.00 -0.01 -0.04 7.15 7.17 2d2cP1 TYR 106 HE2 0.09 -0.11 -0.02 -0.04 6.85 6.76 2d2cP1 LYS 107 H 0.52 0.11 0.11 -0.55 8.42 8.61 2d2cP1 LYS 107 HA 0.08 0.04 0.39 -0.75 4.32 4.07 2d2cP1 LYS 107 HB2 0.28 0.12 0.17 -0.04 1.87 2.40 2d2cP1 LYS 107 HB3 0.13 -0.07 -0.02 -0.04 1.79 1.79 2d2cP1 LYS 107 HG2 0.08 -0.06 0.04 -0.04 1.46 1.49 2d2cP1 LYS 107 HG3 0.13 0.04 0.02 -0.04 1.46 1.61 2d2cP1 LYS 107 HD2 0.13 0.11 0.12 -0.04 1.69 2.01 2d2cP1 LYS 107 HD3 0.09 -0.04 0.04 -0.04 1.68 1.72 2d2cP1 LYS 107 HE2 0.06 -0.03 -0.01 -0.04 2.99 2.97 2d2cP1 LYS 107 HE3 0.08 -0.01 -0.12 -0.04 2.99 2.91 2d2cP1 GLU 108 H 0.04 0.09 0.14 -0.55 8.60 8.32 2d2cP1 GLU 108 HA 0.04 0.05 0.35 -0.75 4.29 3.98 2d2cP1 GLU 108 HB2 0.03 -0.03 0.18 -0.04 2.09 2.22 2d2cP1 GLU 108 HB3 0.03 -0.00 0.01 -0.04 1.99 1.98 2d2cP1 GLU 108 HG2 0.02 0.00 0.03 -0.04 2.34 2.35 2d2cP1 GLU 108 HG3 0.01 0.06 0.06 -0.04 2.34 2.43 2d2cP1 GLY 109 H 0.04 0.17 0.08 -0.55 8.43 8.18 2d2cP1 GLY 109 HA2 0.03 -0.02 0.35 -0.51 4.01 3.86 2d2cP1 GLY 109 HA3 0.04 0.20 0.88 -0.51 4.01 4.61 2d2cP1 GLN 110 H 0.06 0.34 -0.16 -0.55 8.47 8.17 2d2cP1 GLN 110 HA 0.04 -0.04 0.47 -0.75 4.36 4.07 2d2cP1 GLN 110 HB2 0.09 0.09 0.21 -0.04 2.15 2.50 2d2cP1 GLN 110 HB3 0.06 -0.08 0.15 -0.04 2.02 2.10 2d2cP1 GLN 110 HG2 0.04 -0.03 0.06 -0.04 2.40 2.43 2d2cP1 GLN 110 HG3 0.05 0.00 0.03 -0.04 2.39 2.44 2d2cP1 GLN 110 HE21 0.06 0.19 0.09 -0.04 6.97 7.28 2d2cP1 GLN 110 HE22 0.06 -0.03 0.01 -0.04 7.69 7.70 2d2cP1 ASP 111 H 0.04 0.18 0.38 -0.55 8.40 8.45 2d2cP1 ASP 111 HA 0.05 0.14 0.52 -0.75 4.63 4.59 2d2cP1 ASP 111 HB2 0.02 -0.01 0.09 -0.04 2.71 2.77 2d2cP1 ASP 111 HB3 0.03 -0.09 0.11 -0.04 2.70 2.71 2d2cP1 ASN 112 H 0.04 -0.09 -0.05 -0.55 8.53 7.88 2d2cP1 ASN 112 HA 0.06 0.33 0.45 -0.75 4.76 4.84 2d2cP1 ASN 112 HB2 0.04 0.06 -0.42 -0.04 2.88 2.51 2d2cP1 ASN 112 HB3 0.05 -0.11 -0.06 -0.04 2.79 2.63 2d2cP1 ASN 112 HD21 0.00 -0.10 -0.11 -0.04 7.03 6.78 2d2cP1 ASN 112 HD22 -0.01 0.59 -0.19 -0.04 7.74 8.08 2d2cP1 VAL 113 H 0.04 -0.02 -0.58 -0.55 8.24 7.13 2d2cP1 VAL 113 HA 0.01 0.21 0.81 -0.75 4.13 4.41 2d2cP1 VAL 113 HB 0.08 0.01 0.19 -0.04 2.12 2.36 2d2cP1 VAL 113 HG13 0.02 -0.00 -0.04 -0.04 0.97 0.90 2d2cP1 VAL 113 HG23 0.01 -0.03 0.00 -0.04 0.95 0.89 2d2cP1 LEU 114 H 0.02 0.52 0.28 -0.55 8.37 8.65 2d2cP1 LEU 114 HA 0.09 0.19 0.85 -0.75 4.35 4.72 2d2cP1 LEU 114 HB2 0.05 -0.00 -0.12 -0.04 1.64 1.53 2d2cP1 LEU 114 HB3 0.11 0.05 -0.19 -0.04 1.64 1.56 2d2cP1 LEU 114 HG 0.08 0.18 -0.45 -0.04 1.64 1.42 2d2cP1 LEU 114 HD13 0.13 -0.04 -0.14 -0.04 0.93 0.85 2d2cP1 LEU 114 HD23 0.15 -0.06 -0.31 -0.04 0.89 0.63 2d2cP1 LEU 115 H 0.09 0.79 0.24 -0.55 8.37 8.94 2d2cP1 LEU 115 HA 0.10 0.12 0.83 -0.75 4.35 4.64 2d2cP1 LEU 115 HB2 0.10 0.17 0.09 -0.04 1.64 1.96 2d2cP1 LEU 115 HB3 0.15 -0.12 0.09 -0.04 1.64 1.72 2d2cP1 LEU 115 HG 0.22 -0.05 -0.24 -0.04 1.64 1.53 2d2cP1 LEU 115 HD13 0.16 0.04 -0.12 -0.04 0.93 0.96 2d2cP1 LEU 115 HD23 0.17 -0.03 0.03 -0.04 0.89 1.02 2d2cP1 VAL 116 H 0.10 0.26 0.06 -0.55 8.24 8.11 2d2cP1 VAL 116 HA 0.20 0.25 1.02 -0.75 4.13 4.84 2d2cP1 VAL 116 HB 0.10 -0.08 0.04 -0.04 2.12 2.15 2d2cP1 VAL 116 HG13 0.19 0.02 -0.14 -0.04 0.97 0.99 2d2cP1 VAL 116 HG23 -0.06 0.00 -0.32 -0.04 0.95 0.53 2d2cP1 GLY 117 H 0.12 0.25 0.13 -0.55 8.43 8.39 2d2cP1 GLY 117 HA2 0.46 -0.05 0.43 -0.51 4.01 4.35 2d2cP1 GLY 117 HA3 0.21 -0.03 0.38 -0.51 4.01 4.07 2d2cP1 PRO 118 HA 0.10 -0.07 0.42 -0.51 4.44 4.39 2d2cP1 PRO 118 HB2 0.14 0.09 0.08 -0.04 2.28 2.55 2d2cP1 PRO 118 HB3 0.11 -0.02 0.20 -0.04 2.02 2.27 2d2cP1 PRO 118 HG2 0.26 0.17 0.01 -0.04 2.03 2.42 2d2cP1 PRO 118 HG3 0.19 -0.39 0.24 -0.04 2.03 2.03 2d2cP1 PRO 118 HD2 0.21 0.31 0.37 -0.04 3.68 4.52 2d2cP1 PRO 118 HD3 0.24 0.01 0.28 -0.04 3.65 4.14 2d2cP1 LEU 119 H 0.06 0.04 0.17 -0.55 8.37 8.09 2d2cP1 LEU 119 HA 0.04 0.41 0.94 -0.75 4.35 4.99 2d2cP1 LEU 119 HB2 0.00 -0.13 0.25 -0.04 1.64 1.72 2d2cP1 LEU 119 HB3 -0.02 0.03 0.05 -0.04 1.64 1.65 2d2cP1 LEU 119 HG 0.08 0.01 0.27 -0.04 1.64 1.96 2d2cP1 LEU 119 HD13 0.01 -0.06 0.04 -0.04 0.93 0.89 2d2cP1 LEU 119 HD23 -0.01 -0.01 -0.02 -0.04 0.89 0.81 2d2cP1 PRO 120 HA -0.15 0.02 0.40 -0.51 4.44 4.20 2d2cP1 PRO 120 HB2 0.01 0.08 0.22 -0.04 2.28 2.54 2d2cP1 PRO 120 HB3 -0.59 -0.05 0.15 -0.04 2.02 1.50 2d2cP1 PRO 120 HG2 0.28 0.05 0.10 -0.04 2.03 2.42 2d2cP1 PRO 120 HG3 -0.21 -0.00 0.04 -0.04 2.03 1.82 2d2cP1 PRO 120 HD2 0.09 0.27 0.22 -0.04 3.68 4.23 2d2cP1 PRO 120 HD3 0.07 0.21 -0.78 -0.04 3.65 3.11 2d2cP1 GLY 121 H 0.02 0.14 -0.09 -0.55 8.43 7.96 2d2cP1 GLY 121 HA2 0.03 0.02 0.45 -0.51 4.01 4.01 2d2cP1 GLY 121 HA3 0.01 0.18 0.92 -0.51 4.01 4.61 2d2cP1 GLU 122 H 0.05 0.21 0.20 -0.55 8.60 8.51 2d2cP1 GLU 122 HA 0.11 0.12 0.39 -0.75 4.29 4.15 2d2cP1 GLU 122 HB2 0.10 0.04 0.20 -0.04 2.09 2.39 2d2cP1 GLU 122 HB3 0.05 -0.02 0.16 -0.04 1.99 2.13 2d2cP1 GLU 122 HG2 0.04 -0.01 0.25 -0.04 2.34 2.57 2d2cP1 GLU 122 HG3 0.06 -0.01 0.17 -0.04 2.34 2.52 2d2cP1 GLN 123 H 0.03 0.14 -1.65 -0.55 8.47 6.44 2d2cP1 GLN 123 HA 0.06 0.19 0.88 -0.75 4.36 4.73 2d2cP1 GLN 123 HB2 -0.10 0.15 -0.11 -0.04 2.15 2.05 2d2cP1 GLN 123 HB3 -0.25 -0.06 0.02 -0.04 2.02 1.68 2d2cP1 GLN 123 HG2 -0.03 -0.01 -0.05 -0.04 2.40 2.27 2d2cP1 GLN 123 HG3 -0.13 -0.01 -0.00 -0.04 2.39 2.20 2d2cP1 GLN 123 HE21 0.06 -0.03 0.05 -0.04 6.97 7.00 2d2cP1 GLN 123 HE22 0.03 0.01 0.03 -0.04 7.69 7.71 2d2cP1 TYR 124 H 0.06 0.08 -0.02 -0.55 8.29 7.85 2d2cP1 TYR 124 HA 0.02 0.11 0.81 -0.75 4.56 4.75 2d2cP1 TYR 124 HB2 0.03 0.03 0.27 -0.04 3.06 3.35 2d2cP1 TYR 124 HB3 0.03 -0.10 0.17 -0.04 2.98 3.04 2d2cP1 TYR 124 HD2 0.03 0.01 -0.20 -0.04 7.15 6.94 2d2cP1 TYR 124 HE2 0.01 -0.02 -0.04 -0.04 6.85 6.76 2d2cP1 GLN 125 H 0.10 0.30 0.06 -0.55 8.47 8.38 2d2cP1 GLN 125 HA 0.08 0.26 0.68 -0.75 4.36 4.62 2d2cP1 GLN 125 HB2 -0.01 -0.07 -0.02 -0.04 2.15 2.01 2d2cP1 GLN 125 HB3 -0.04 0.08 0.14 -0.04 2.02 2.17 2d2cP1 GLN 125 HG2 0.04 -0.02 -0.30 -0.04 2.40 2.09 2d2cP1 GLN 125 HG3 -0.03 -0.02 -0.10 -0.04 2.39 2.19 2d2cP1 GLN 125 HE21 -1.07 0.31 0.17 -0.04 6.97 6.34 2d2cP1 GLN 125 HE22 -0.29 -0.21 0.04 -0.04 7.69 7.19 2d2cP1 GLU 126 H 0.06 -0.11 -0.12 -0.55 8.60 7.88 2d2cP1 GLU 126 HA 0.03 0.12 0.61 -0.75 4.29 4.30 2d2cP1 GLU 126 HB2 0.00 -0.01 -0.01 -0.04 2.09 2.03 2d2cP1 GLU 126 HB3 -0.03 0.00 -0.09 -0.04 1.99 1.83 2d2cP1 GLU 126 HG2 -0.00 0.01 -0.07 -0.04 2.34 2.24 2d2cP1 GLU 126 HG3 0.02 -0.06 -0.05 -0.04 2.34 2.21 2d2cP1 ILE 127 H 0.04 -0.14 -0.16 -0.55 8.25 7.43 2d2cP1 ILE 127 HA -0.02 -0.02 0.27 -0.75 4.18 3.66 2d2cP1 ILE 127 HB 0.22 0.13 0.01 -0.04 1.89 2.21 2d2cP1 ILE 127 HG12 0.12 0.04 -0.12 -0.04 1.49 1.49 2d2cP1 ILE 127 HG13 0.14 0.01 -0.07 -0.04 1.21 1.25 2d2cP1 ILE 127 HG23 -0.11 0.01 -0.12 -0.04 0.93 0.67 2d2cP1 ILE 127 HD13 0.10 -0.03 -0.62 -0.04 0.88 0.29 2d2cP1 VAL 128 H -0.10 -0.01 -0.16 -0.55 8.24 7.42 2d2cP1 VAL 128 HA 0.13 0.13 0.37 -0.75 4.13 4.01 2d2cP1 VAL 128 HB 0.03 -0.01 -0.15 -0.04 2.12 1.95 2d2cP1 VAL 128 HG13 -0.01 -0.03 -0.14 -0.04 0.97 0.75 2d2cP1 VAL 128 HG23 -0.09 0.00 -0.16 -0.04 0.95 0.66 2d2cP1 PHE 129 H 0.26 0.17 0.00 -0.55 8.34 8.22 2d2cP1 PHE 129 HA -0.00 0.23 0.96 -0.75 4.62 5.05 2d2cP1 PHE 129 HB2 -0.05 0.09 0.14 -0.04 3.15 3.28 2d2cP1 PHE 129 HB3 -0.09 -0.02 -0.15 -0.04 3.06 2.76 2d2cP1 PHE 129 HD2 -0.22 0.07 -0.12 -0.04 7.28 6.96 2d2cP1 PHE 129 HE2 -0.28 0.04 -0.18 -0.04 7.38 6.92 2d2cP1 PHE 129 HZ -0.21 -0.07 -0.24 -0.04 7.32 6.76 2d2cP1 PRO 130 HA 0.03 0.09 0.48 -0.51 4.44 4.53 2d2cP1 PRO 130 HB2 0.02 -0.05 -0.01 -0.04 2.28 2.20 2d2cP1 PRO 130 HB3 0.03 -0.01 -0.01 -0.04 2.02 1.99 2d2cP1 PRO 130 HG2 0.15 -0.00 0.15 -0.04 2.03 2.29 2d2cP1 PRO 130 HG3 0.08 0.08 0.05 -0.04 2.03 2.20 2d2cP1 PRO 130 HD2 0.32 0.15 0.17 -0.04 3.68 4.29 2d2cP1 PRO 130 HD3 0.10 0.10 -0.06 -0.04 3.65 3.76 2d2cP1 VAL 131 H -0.18 0.78 0.43 -0.55 8.24 8.72 2d2cP1 VAL 131 HA -0.11 -0.06 1.21 -0.75 4.13 4.42 2d2cP1 VAL 131 HB -0.04 0.01 -0.18 -0.04 2.12 1.87 2d2cP1 VAL 131 HG13 -0.45 0.02 -0.02 -0.04 0.97 0.48 2d2cP1 VAL 131 HG23 -0.17 0.07 -0.18 -0.04 0.95 0.63 2d2cP1 LEU 132 H -0.18 0.33 0.25 -0.55 8.37 8.23 2d2cP1 LEU 132 HA -0.25 0.24 0.72 -0.75 4.35 4.30 2d2cP1 LEU 132 HB2 -0.11 -0.14 -0.05 -0.04 1.64 1.29 2d2cP1 LEU 132 HB3 -0.14 0.04 -0.22 -0.04 1.64 1.28 2d2cP1 LEU 132 HG -0.16 0.16 -0.23 -0.04 1.64 1.36 2d2cP1 LEU 132 HD13 -0.07 -0.04 -0.36 -0.04 0.93 0.41 2d2cP1 LEU 132 HD23 -0.08 -0.02 -0.13 -0.04 0.89 0.62 2d2cP1 SER 133 H -0.14 0.12 0.33 -0.55 8.46 8.23 2d2cP1 SER 133 HA -1.03 0.22 0.86 -0.75 4.49 3.79 2d2cP1 SER 133 HB2 0.49 0.01 -0.01 -0.04 3.95 4.40 2d2cP1 SER 133 HB3 0.04 -0.04 0.30 -0.04 3.93 4.19 2d2cP1 PRO 134 HA -0.24 0.07 0.48 -0.51 4.44 4.24 2d2cP1 PRO 134 HB2 -0.28 0.03 -0.15 -0.04 2.28 1.84 2d2cP1 PRO 134 HB3 -0.21 0.02 0.03 -0.04 2.02 1.82 2d2cP1 PRO 134 HG2 -0.33 -0.02 -0.49 -0.04 2.03 1.15 2d2cP1 PRO 134 HG3 -0.37 0.29 -0.43 -0.04 2.03 1.48 2d2cP1 PRO 134 HD2 -1.45 0.13 0.07 -0.04 3.68 2.40 2d2cP1 PRO 134 HD3 -1.96 0.23 0.19 -0.04 3.65 2.07 2d2cP1 ASN 135 H -0.15 0.26 0.16 -0.55 8.53 8.25 2d2cP1 ASN 135 HA -0.14 0.20 0.78 -0.75 4.76 4.85 2d2cP1 ASN 135 HB2 -0.08 0.08 0.05 -0.04 2.88 2.88 2d2cP1 ASN 135 HB3 -0.07 -0.09 0.21 -0.04 2.79 2.79 2d2cP1 ASN 135 HD21 -0.02 0.03 -0.03 -0.04 7.03 6.97 2d2cP1 ASN 135 HD22 -0.04 0.05 -0.03 -0.04 7.74 7.68 2d2cP1 PRO 136 HA -0.12 0.29 0.74 -0.51 4.44 4.85 2d2cP1 PRO 136 HB2 -0.05 0.21 0.12 -0.04 2.28 2.51 2d2cP1 PRO 136 HB3 -0.24 -0.00 -0.32 -0.04 2.02 1.41 2d2cP1 PRO 136 HG2 -0.13 -0.03 -0.11 -0.04 2.03 1.72 2d2cP1 PRO 136 HG3 -1.18 0.03 -0.15 -0.04 2.03 0.68 2d2cP1 PRO 136 HD2 -0.20 0.04 0.15 -0.04 3.68 3.63 2d2cP1 PRO 136 HD3 -0.34 0.27 -0.14 -0.04 3.65 3.40 2d2cP1 THR 137 H -0.03 -0.07 -0.43 -0.55 8.28 7.20 2d2cP1 THR 137 HA 0.04 0.26 0.75 -0.75 4.39 4.68 2d2cP1 THR 137 HB 0.02 0.01 -0.11 -0.04 4.32 4.19 2d2cP1 THR 137 HG23 0.04 0.01 0.01 -0.04 1.22 1.25 2d2cP1 THR 138 H -0.03 0.02 -0.06 -0.55 8.28 7.66 2d2cP1 THR 138 HA -0.01 0.13 0.58 -0.75 4.39 4.33 2d2cP1 THR 138 HB -0.03 0.03 0.11 -0.04 4.32 4.39 2d2cP1 THR 138 HG23 -0.03 -0.03 0.04 -0.04 1.22 1.16 2d2cP1 ASP 139 H -0.04 0.06 -0.29 -0.55 8.40 7.58 2d2cP1 ASP 139 HA -0.03 0.15 0.71 -0.75 4.63 4.71 2d2cP1 ASP 139 HB2 -0.05 0.07 -0.10 -0.04 2.71 2.60 2d2cP1 ASP 139 HB3 -0.07 0.11 0.17 -0.04 2.70 2.87 2d2cP1 LYS 140 H -0.02 0.21 -0.03 -0.55 8.42 8.03 2d2cP1 LYS 140 HA -0.03 0.35 0.46 -0.75 4.32 4.35 2d2cP1 LYS 140 HB2 0.02 -0.02 0.01 -0.04 1.87 1.83 2d2cP1 LYS 140 HB3 0.04 0.02 0.14 -0.04 1.79 1.95 2d2cP1 LYS 140 HG2 0.03 -0.02 0.02 -0.04 1.46 1.46 2d2cP1 LYS 140 HG3 0.03 0.07 0.01 -0.04 1.46 1.53 2d2cP1 LYS 140 HD2 0.00 -0.12 -0.15 -0.04 1.69 1.38 2d2cP1 LYS 140 HD3 0.01 -0.01 -0.00 -0.04 1.68 1.63 2d2cP1 LYS 140 HE2 0.01 0.03 -0.04 -0.04 2.99 2.95 2d2cP1 LYS 140 HE3 0.02 -0.04 -0.01 -0.04 2.99 2.92 2d2cP1 ASN 141 H -0.07 -0.04 -0.73 -0.55 8.53 7.14 2d2cP1 ASN 141 HA -0.06 0.12 0.54 -0.75 4.76 4.61 2d2cP1 ASN 141 HB2 -0.03 -0.08 0.01 -0.04 2.88 2.74 2d2cP1 ASN 141 HB3 -0.04 0.04 -0.10 -0.04 2.79 2.64 2d2cP1 ASN 141 HD21 0.04 -0.01 0.02 -0.04 7.03 7.04 2d2cP1 ASN 141 HD22 0.01 0.01 -0.01 -0.04 7.74 7.71 2d2cP1 ILE 142 H -0.20 0.40 -0.27 -0.55 8.25 7.62 2d2cP1 ILE 142 HA -0.16 0.15 0.84 -0.75 4.18 4.25 2d2cP1 ILE 142 HB -0.15 0.04 0.16 -0.04 1.89 1.90 2d2cP1 ILE 142 HG12 -0.10 0.08 -0.08 -0.04 1.49 1.35 2d2cP1 ILE 142 HG13 -0.10 -0.17 -0.22 -0.04 1.21 0.68 2d2cP1 ILE 142 HG23 -0.17 0.01 -0.23 -0.04 0.93 0.49 2d2cP1 ILE 142 HD13 -0.11 -0.01 -0.02 -0.04 0.88 0.69 2d2cP1 HIS 143 H 0.08 0.22 0.16 -0.55 8.41 8.32 2d2cP1 HIS 143 HA 0.20 0.13 0.84 -0.75 4.63 5.05 2d2cP1 HIS 143 HB2 0.24 0.08 0.01 -0.04 3.26 3.55 2d2cP1 HIS 143 HB3 0.20 -0.10 0.07 -0.04 3.20 3.33 2d2cP1 HIS 143 HD2 0.13 0.02 -0.05 -0.04 6.97 7.03 2d2cP1 HIS 143 HE1 0.06 0.01 -0.02 -0.04 7.75 7.76 2d2cP1 PHE 144 H 0.63 0.02 0.09 -0.55 8.34 8.52 2d2cP1 PHE 144 HA 0.19 0.20 0.60 -0.75 4.62 4.85 2d2cP1 PHE 144 HB2 0.11 -0.01 0.21 -0.04 3.15 3.42 2d2cP1 PHE 144 HB3 0.11 -0.23 0.33 -0.04 3.06 3.22 2d2cP1 PHE 144 HD2 0.09 0.12 -0.10 -0.04 7.28 7.35 2d2cP1 PHE 144 HE2 0.04 0.02 -0.29 -0.04 7.38 7.11 2d2cP1 PHE 144 HZ 0.03 -0.04 -0.06 -0.04 7.32 7.21 2d2cP1 GLY 145 H 0.40 0.02 0.20 -0.55 8.43 8.50 2d2cP1 GLY 145 HA2 0.14 -0.05 0.40 -0.51 4.01 3.99 2d2cP1 GLY 145 HA3 0.13 0.06 0.38 -0.51 4.01 4.06 2d2cP1 LYS 146 H 0.04 -0.00 0.17 -0.55 8.42 8.08 2d2cP1 LYS 146 HA 0.08 0.23 0.49 -0.75 4.32 4.36 2d2cP1 LYS 146 HB2 -0.01 -0.05 0.05 -0.04 1.87 1.83 2d2cP1 LYS 146 HB3 0.01 0.04 -0.03 -0.04 1.79 1.77 2d2cP1 LYS 146 HG2 0.03 0.01 -0.10 -0.04 1.46 1.35 2d2cP1 LYS 146 HG3 0.02 -0.08 0.03 -0.04 1.46 1.38 2d2cP1 LYS 146 HD2 -0.00 0.08 -0.11 -0.04 1.69 1.61 2d2cP1 LYS 146 HD3 0.00 -0.03 -0.05 -0.04 1.68 1.56 2d2cP1 LYS 146 HE2 -0.01 0.02 -0.06 -0.04 2.99 2.90 2d2cP1 LYS 146 HE3 -0.01 0.02 -0.05 -0.04 2.99 2.91 2d2cP1 TYR 147 H 0.08 0.31 0.31 -0.55 8.29 8.44 2d2cP1 TYR 147 HA -0.04 0.06 0.77 -0.75 4.56 4.59 2d2cP1 TYR 147 HB2 -0.13 0.07 0.09 -0.04 3.06 3.04 2d2cP1 TYR 147 HB3 -0.13 0.03 0.07 -0.04 2.98 2.90 2d2cP1 TYR 147 HD2 -0.00 0.01 -0.13 -0.04 7.15 6.99 2d2cP1 TYR 147 HE2 0.08 0.14 0.03 -0.04 6.85 7.05 2d2cP1 ALA 148 H 0.00 0.06 0.16 -0.55 8.40 8.08 2d2cP1 ALA 148 HA -0.02 0.27 0.63 -0.75 4.34 4.46 2d2cP1 ALA 148 HB3 -0.03 -0.02 0.10 -0.04 1.41 1.42 2d2cP1 ILE 149 H -0.11 0.36 0.19 -0.55 8.25 8.13 2d2cP1 ILE 149 HA -0.26 0.48 0.73 -0.75 4.18 4.38 2d2cP1 ILE 149 HB -0.08 -0.19 -0.07 -0.04 1.89 1.51 2d2cP1 ILE 149 HG12 -0.18 0.09 0.00 -0.04 1.49 1.36 2d2cP1 ILE 149 HG13 -0.13 0.01 -0.68 -0.04 1.21 0.37 2d2cP1 ILE 149 HG23 -0.11 0.04 -0.13 -0.04 0.93 0.68 2d2cP1 ILE 149 HD13 -0.12 -0.03 -0.12 -0.04 0.88 0.56 2d2cP1 HIS 150 H -0.19 0.32 0.30 -0.55 8.41 8.30 2d2cP1 HIS 150 HA -0.05 0.21 1.15 -0.75 4.63 5.19 2d2cP1 HIS 150 HB2 -0.04 -0.05 0.00 -0.04 3.26 3.13 2d2cP1 HIS 150 HB3 -0.04 0.06 0.04 -0.04 3.20 3.21 2d2cP1 HIS 150 HD2 -0.04 0.14 -0.21 -0.04 6.97 6.81 2d2cP1 HIS 150 HE1 -0.02 0.01 -0.06 -0.04 7.75 7.64 2d2cP1 LEU 151 H 0.04 0.34 0.21 -0.55 8.37 8.41 2d2cP1 LEU 151 HA 0.01 0.09 0.78 -0.75 4.35 4.47 2d2cP1 LEU 151 HB2 -0.08 0.09 -0.01 -0.04 1.64 1.59 2d2cP1 LEU 151 HB3 -0.03 0.06 -0.01 -0.04 1.64 1.62 2d2cP1 LEU 151 HG 0.01 -0.05 -0.15 -0.04 1.64 1.40 2d2cP1 LEU 151 HD13 -0.09 0.04 -0.05 -0.04 0.93 0.79 2d2cP1 LEU 151 HD23 0.00 -0.04 -0.27 -0.04 0.89 0.54 2d2cP1 GLY 152 H 0.05 0.34 0.06 -0.55 8.43 8.34 2d2cP1 GLY 152 HA2 0.22 0.21 0.86 -0.51 4.01 4.80 2d2cP1 GLY 152 HA3 0.30 -0.06 0.28 -0.51 4.01 4.03 2d2cP1 ALA 153 H 0.19 0.14 -0.01 -0.55 8.40 8.17 2d2cP1 ALA 153 HA 0.03 0.07 1.00 -0.75 4.34 4.68 2d2cP1 ALA 153 HB3 0.06 0.04 0.11 -0.04 1.41 1.58 2d2cP1 ASN 154 H -0.10 0.17 0.02 -0.55 8.53 8.07 2d2cP1 ASN 154 HA -0.10 0.29 0.91 -0.75 4.76 5.10 2d2cP1 ASN 154 HB2 -0.56 -0.02 -0.09 -0.04 2.88 2.17 2d2cP1 ASN 154 HB3 -0.38 -0.09 0.01 -0.04 2.79 2.30 2d2cP1 ASN 154 HD21 -1.26 0.33 0.01 -0.04 7.03 6.07 2d2cP1 ASN 154 HD22 -0.40 0.17 0.14 -0.04 7.74 7.61 2d2cP1 ARG 155 H -0.33 0.24 0.22 -0.55 8.46 8.05 2d2cP1 ARG 155 HA -0.11 0.14 0.48 -0.75 4.34 4.10 2d2cP1 ARG 155 HB2 -0.06 -0.00 0.29 -0.04 1.90 2.09 2d2cP1 ARG 155 HB3 -0.01 0.56 0.76 -0.04 1.80 3.06 2d2cP1 ARG 155 HG2 0.00 -0.14 -0.03 -0.04 1.67 1.46 2d2cP1 ARG 155 HG3 -0.08 -0.08 -0.23 -0.04 1.67 1.23 2d2cP1 ARG 155 HD2 -0.03 -0.06 -0.12 -0.04 3.22 2.96 2d2cP1 ARG 155 HD3 -0.03 0.02 -0.08 -0.04 3.22 3.08 2d2cP1 GLY 156 H -0.08 0.15 0.20 -0.55 8.43 8.16 2d2cP1 GLY 156 HA2 -0.07 -0.05 0.40 -0.51 4.01 3.79 2d2cP1 GLY 156 HA3 -0.02 0.01 0.37 -0.51 4.01 3.86 2d2cP1 ARG 157 H -0.07 -0.00 0.14 -0.55 8.46 7.97 2d2cP1 ARG 157 HA -0.12 0.06 0.35 -0.75 4.34 3.87 2d2cP1 ARG 157 HB2 -0.08 -0.08 0.17 -0.04 1.90 1.87 2d2cP1 ARG 157 HB3 -0.08 0.04 0.18 -0.04 1.80 1.89 2d2cP1 ARG 157 HG2 -0.06 0.04 -0.00 -0.04 1.67 1.60 2d2cP1 ARG 157 HG3 -0.04 -0.02 -0.00 -0.04 1.67 1.56 2d2cP1 ARG 157 HD2 0.01 -0.15 -0.49 -0.04 3.22 2.55 2d2cP1 ARG 157 HD3 0.01 0.00 -0.01 -0.04 3.22 3.19 2d2cP1 GLY 158 H -0.21 0.04 0.20 -0.55 8.43 7.91 2d2cP1 GLY 158 HA2 -0.81 0.15 0.60 -0.51 4.01 3.44 2d2cP1 GLY 158 HA3 -0.24 0.11 0.42 -0.51 4.01 3.78 2d2cP1 GLN 159 H -0.22 -0.01 0.31 -0.55 8.47 8.01 2d2cP1 GLN 159 HA -0.11 0.17 0.72 -0.75 4.36 4.39 2d2cP1 GLN 159 HB2 -0.09 -0.08 0.08 -0.04 2.15 2.02 2d2cP1 GLN 159 HB3 -0.10 -0.02 0.11 -0.04 2.02 1.97 2d2cP1 GLN 159 HG2 -0.11 0.13 0.15 -0.04 2.40 2.52 2d2cP1 GLN 159 HG3 -0.16 0.54 0.17 -0.04 2.39 2.90 2d2cP1 GLN 159 HE21 -0.72 0.21 0.04 -0.04 6.97 6.47 2d2cP1 GLN 159 HE22 -0.23 -0.23 0.05 -0.04 7.69 7.24 2d2cP1 ILE 160 H -0.04 -0.05 0.21 -0.55 8.25 7.83 2d2cP1 ILE 160 HA 0.12 0.15 0.77 -0.75 4.18 4.46 2d2cP1 ILE 160 HB 0.08 -0.12 -0.02 -0.04 1.89 1.79 2d2cP1 ILE 160 HG12 0.03 0.06 -0.18 -0.04 1.49 1.37 2d2cP1 ILE 160 HG13 0.01 -0.17 -0.43 -0.04 1.21 0.59 2d2cP1 ILE 160 HG23 0.10 0.08 -0.06 -0.04 0.93 1.01 2d2cP1 ILE 160 HD13 0.05 0.03 -0.14 -0.04 0.88 0.78 2d2cP1 TYR 161 H 0.27 0.18 0.05 -0.55 8.29 8.24 2d2cP1 TYR 161 HA 0.19 0.24 0.90 -0.75 4.56 5.14 2d2cP1 TYR 161 HB2 0.07 0.37 0.20 -0.04 3.06 3.67 2d2cP1 TYR 161 HB3 0.09 -0.27 0.11 -0.04 2.98 2.86 2d2cP1 TYR 161 HD2 0.11 -0.04 -0.20 -0.04 7.15 6.97 2d2cP1 TYR 161 HE2 0.12 -0.09 -0.01 -0.04 6.85 6.83 2d2cP1 PRO 162 HA 0.01 0.18 0.46 -0.51 4.44 4.58 2d2cP1 PRO 162 HB2 -0.48 0.07 0.02 -0.04 2.28 1.85 2d2cP1 PRO 162 HB3 -0.49 0.07 0.07 -0.04 2.02 1.62 2d2cP1 PRO 162 HG2 -0.07 0.01 0.01 -0.04 2.03 1.94 2d2cP1 PRO 162 HG3 -0.41 0.05 0.06 -0.04 2.03 1.69 2d2cP1 PRO 162 HD2 0.29 0.05 0.25 -0.04 3.68 4.24 2d2cP1 PRO 162 HD3 0.41 0.21 0.18 -0.04 3.65 4.42 2d2cP1 THR 163 H 0.19 -0.02 -0.26 -0.55 8.28 7.65 2d2cP1 THR 163 HA -0.00 0.11 0.44 -0.75 4.39 4.18 2d2cP1 THR 163 HB 0.02 0.04 -0.01 -0.04 4.32 4.32 2d2cP1 THR 163 HG23 0.14 -0.00 0.02 -0.04 1.22 1.33 2d2cP1 GLY 164 H 0.12 -0.12 -0.20 -0.55 8.43 7.68 2d2cP1 GLY 164 HA2 0.06 0.09 0.22 -0.51 4.01 3.87 2d2cP1 GLY 164 HA3 0.03 0.23 0.89 -0.51 4.01 4.64 2d2cP1 GLU 165 H 0.12 0.04 0.16 -0.55 8.60 8.38 2d2cP1 GLU 165 HA 0.05 0.06 0.42 -0.75 4.29 4.06 2d2cP1 GLU 165 HB2 -0.01 -0.09 -0.22 -0.04 2.09 1.72 2d2cP1 GLU 165 HB3 -0.00 0.07 -0.00 -0.04 1.99 2.02 2d2cP1 GLU 165 HG2 0.02 -0.08 0.16 -0.04 2.34 2.40 2d2cP1 GLU 165 HG3 0.02 0.67 0.36 -0.04 2.34 3.35 2d2cP1 LYS 166 H 0.05 0.12 0.14 -0.55 8.42 8.17 2d2cP1 LYS 166 HA 0.08 0.04 0.42 -0.75 4.32 4.11 2d2cP1 LYS 166 HB2 0.10 -0.03 0.11 -0.04 1.87 2.01 2d2cP1 LYS 166 HB3 0.03 0.17 0.01 -0.04 1.79 1.96 2d2cP1 LYS 166 HG2 0.01 -0.02 0.12 -0.04 1.46 1.53 2d2cP1 LYS 166 HG3 0.04 -0.04 0.11 -0.04 1.46 1.52 2d2cP1 LYS 166 HD2 0.00 -0.00 0.05 -0.04 1.69 1.70 2d2cP1 LYS 166 HD3 -0.16 0.08 0.04 -0.04 1.68 1.60 2d2cP1 LYS 166 HE2 -0.03 -0.02 0.04 -0.04 2.99 2.94 2d2cP1 LYS 166 HE3 -0.00 -0.04 0.04 -0.04 2.99 2.95 2d2cP1 SER 167 H 0.10 0.44 -0.03 -0.55 8.46 8.43 2d2cP1 SER 167 HA 0.52 0.11 0.46 -0.75 4.49 4.83 2d2cP1 SER 167 HB2 0.23 -0.10 -0.69 -0.04 3.95 3.35 2d2cP1 SER 167 HB3 0.05 0.06 -0.33 -0.04 3.93 3.68 2d2cP1 ASN 168 H 0.15 0.06 0.09 -0.55 8.53 8.30 2d2cP1 ASN 168 HA 0.41 0.29 0.91 -0.75 4.76 5.62 2d2cP1 ASN 168 HB2 0.17 0.07 0.02 -0.04 2.88 3.10 2d2cP1 ASN 168 HB3 0.11 -0.13 0.17 -0.04 2.79 2.90 2d2cP1 ASN 168 HD21 0.12 -0.10 -0.01 -0.04 7.03 7.01 2d2cP1 ASN 168 HD22 0.30 0.06 0.17 -0.04 7.74 8.23 2d2cP1 ASN 169 H 0.00 0.09 0.13 -0.55 8.53 8.21 2d2cP1 ASN 169 HA -0.02 0.00 0.42 -0.75 4.76 4.41 2d2cP1 ASN 169 HB2 -0.09 -0.03 0.12 -0.04 2.88 2.84 2d2cP1 ASN 169 HB3 -0.14 0.12 0.16 -0.04 2.79 2.89 2d2cP1 ASN 169 HD21 -0.04 0.01 -0.03 -0.04 7.03 6.94 2d2cP1 ASN 169 HD22 -0.02 0.05 -0.03 -0.04 7.74 7.70 2d2cP1 ASN 170 H -0.08 0.63 0.58 -0.55 8.53 9.12 2d2cP1 ASN 170 HA -0.12 -0.06 0.34 -0.75 4.76 4.17 2d2cP1 ASN 170 HB2 -0.22 -0.03 0.18 -0.04 2.88 2.76 2d2cP1 ASN 170 HB3 -0.15 0.14 0.37 -0.04 2.79 3.11 2d2cP1 ASN 170 HD21 -0.27 -0.06 -0.16 -0.04 7.03 6.50 2d2cP1 ASN 170 HD22 -0.34 0.06 -0.07 -0.04 7.74 7.34 2d2cP1 VAL 171 H -0.17 0.10 0.17 -0.55 8.24 7.79 2d2cP1 VAL 171 HA -0.07 0.28 0.93 -0.75 4.13 4.51 2d2cP1 VAL 171 HB -0.02 -0.08 -0.10 -0.04 2.12 1.88 2d2cP1 VAL 171 HG13 -0.00 0.02 -0.16 -0.04 0.97 0.78 2d2cP1 VAL 171 HG23 -0.07 0.00 0.06 -0.04 0.95 0.90 2d2cP1 PHE 172 H 0.21 0.17 0.18 -0.55 8.34 8.35 2d2cP1 PHE 172 HA 0.01 0.16 0.97 -0.75 4.62 5.01 2d2cP1 PHE 172 HB2 0.01 -0.04 0.32 -0.04 3.15 3.40 2d2cP1 PHE 172 HB3 0.01 0.06 0.15 -0.04 3.06 3.23 2d2cP1 PHE 172 HD2 0.00 -0.06 0.12 -0.04 7.28 7.30 2d2cP1 PHE 172 HE2 -0.00 0.03 0.11 -0.04 7.38 7.48 2d2cP1 PHE 172 HZ 0.01 -0.05 0.22 -0.04 7.32 7.46 2d2cP1 THR 173 H 0.06 0.13 0.00 -0.55 8.28 7.92 2d2cP1 THR 173 HA 0.06 -0.02 0.20 -0.75 4.39 3.87 2d2cP1 THR 173 HB 0.03 0.12 0.20 -0.04 4.32 4.63 2d2cP1 THR 173 HG23 0.01 -0.08 -0.02 -0.04 1.22 1.09 2d2cP1 ALA 174 H 0.03 0.48 0.18 -0.55 8.40 8.54 2d2cP1 ALA 174 HA 0.04 0.05 0.36 -0.75 4.34 4.03 2d2cP1 ALA 174 HB3 0.03 -0.03 -0.12 -0.04 1.41 1.25 2d2cP1 SER 175 H 0.02 0.07 -0.07 -0.55 8.46 7.93 2d2cP1 SER 175 HA 0.01 0.30 0.67 -0.75 4.49 4.72 2d2cP1 SER 175 HB2 0.01 -0.02 0.06 -0.04 3.95 3.96 2d2cP1 SER 175 HB3 0.02 0.12 -0.13 -0.04 3.93 3.90 2d2cP1 ALA 176 H 0.01 0.38 0.20 -0.55 8.40 8.44 2d2cP1 ALA 176 HA 0.01 0.04 0.38 -0.75 4.34 4.01 2d2cP1 ALA 176 HB3 0.01 0.06 -0.05 -0.04 1.41 1.38 2d2cP1 THR 177 H 0.01 0.24 -0.01 -0.55 8.28 7.96 2d2cP1 THR 177 HA 0.01 -0.10 0.34 -0.75 4.39 3.88 2d2cP1 THR 177 HB 0.01 0.04 0.20 -0.04 4.32 4.52 2d2cP1 THR 177 HG23 0.00 0.00 -0.06 -0.04 1.22 1.12 2d2cP1 GLY 178 H 0.01 0.48 0.13 -0.55 8.43 8.50 2d2cP1 GLY 178 HA2 0.00 0.02 0.34 -0.51 4.01 3.86 2d2cP1 GLY 178 HA3 0.00 -0.04 0.37 -0.51 4.01 3.84 2d2cP1 THR 179 H 0.00 0.12 0.06 -0.55 8.28 7.92 2d2cP1 THR 179 HA 0.01 0.17 0.17 -0.75 4.39 3.98 2d2cP1 THR 179 HB 0.00 -0.12 -0.06 -0.04 4.32 4.10 2d2cP1 THR 179 HG23 0.00 -0.01 0.06 -0.04 1.22 1.23 2d2cP1 ILE 180 H 0.01 0.35 0.27 -0.55 8.25 8.32 2d2cP1 ILE 180 HA 0.00 -0.13 0.41 -0.75 4.18 3.72 2d2cP1 ILE 180 HB 0.01 -0.10 0.23 -0.04 1.89 1.98 2d2cP1 ILE 180 HG12 0.00 -0.09 -0.39 -0.04 1.49 0.97 2d2cP1 ILE 180 HG13 0.00 0.35 0.04 -0.04 1.21 1.56 2d2cP1 ILE 180 HG23 0.01 0.05 0.25 -0.04 0.93 1.20 2d2cP1 ILE 180 HD13 0.01 0.08 0.01 -0.04 0.88 0.93 2d2cP1 THR 181 H 0.00 0.13 0.12 -0.55 8.28 7.99 2d2cP1 THR 181 HA 0.00 0.01 0.40 -0.75 4.39 4.05 2d2cP1 THR 181 HB -0.00 0.06 0.06 -0.04 4.32 4.40 2d2cP1 THR 181 HG23 -0.00 -0.02 0.06 -0.04 1.22 1.22 2d2cP1 LYS 182 H 0.00 0.29 -0.17 -0.55 8.42 7.99 2d2cP1 LYS 182 HA -0.00 0.09 0.54 -0.75 4.32 4.19 2d2cP1 LYS 182 HB2 -0.01 -0.18 0.20 -0.04 1.87 1.84 2d2cP1 LYS 182 HB3 -0.00 0.05 -0.18 -0.04 1.79 1.62 2d2cP1 LYS 182 HG2 -0.01 0.12 -0.03 -0.04 1.46 1.50 2d2cP1 LYS 182 HG3 -0.01 -0.01 0.02 -0.04 1.46 1.42 2d2cP1 LYS 182 HD2 -0.00 -0.14 -0.06 -0.04 1.69 1.45 2d2cP1 LYS 182 HD3 -0.00 0.08 -0.03 -0.04 1.68 1.69 2d2cP1 LYS 182 HE2 -0.01 0.00 -0.05 -0.04 2.99 2.90 2d2cP1 LYS 182 HE3 -0.00 -0.00 -0.18 -0.04 2.99 2.76 2d2cP1 ILE 183 H -0.01 0.14 0.11 -0.55 8.25 7.94 2d2cP1 ILE 183 HA -0.00 0.08 0.78 -0.75 4.18 4.28 2d2cP1 ILE 183 HB -0.01 -0.21 0.26 -0.04 1.89 1.89 2d2cP1 ILE 183 HG12 -0.01 -0.03 -0.01 -0.04 1.49 1.40 2d2cP1 ILE 183 HG13 -0.02 0.06 -0.12 -0.04 1.21 1.09 2d2cP1 ILE 183 HG23 0.01 0.02 -0.14 -0.04 0.93 0.78 2d2cP1 ILE 183 HD13 -0.02 0.01 0.01 -0.04 0.88 0.84 2d2cP1 ALA 184 H -0.02 -0.05 0.15 -0.55 8.40 7.93 2d2cP1 ALA 184 HA -0.04 0.08 0.24 -0.75 4.34 3.86 2d2cP1 ALA 184 HB3 -0.03 0.04 -0.28 -0.04 1.41 1.11 2d2cP1 LYS 185 H -0.05 -0.18 0.13 -0.55 8.42 7.76 2d2cP1 LYS 185 HA -0.19 -0.04 0.38 -0.75 4.32 3.72 2d2cP1 LYS 185 HB2 -0.10 -0.07 0.10 -0.04 1.87 1.76 2d2cP1 LYS 185 HB3 -0.33 0.09 0.06 -0.04 1.79 1.57 2d2cP1 LYS 185 HG2 0.01 -0.16 0.13 -0.04 1.46 1.41 2d2cP1 LYS 185 HG3 0.09 -0.01 0.06 -0.04 1.46 1.55 2d2cP1 LYS 185 HD2 0.51 -0.04 0.06 -0.04 1.69 2.18 2d2cP1 LYS 185 HD3 0.10 0.21 -0.13 -0.04 1.68 1.82 2d2cP1 LYS 185 HE2 0.07 -0.07 0.06 -0.04 2.99 3.01 2d2cP1 LYS 185 HE3 0.14 -0.09 0.03 -0.04 2.99 3.03 2d2cP1 GLU 186 H -0.62 0.27 0.27 -0.55 8.60 7.97 2d2cP1 GLU 186 HA -0.26 0.07 0.58 -0.75 4.29 3.93 2d2cP1 GLU 186 HB2 -0.12 -0.08 0.21 -0.04 2.09 2.06 2d2cP1 GLU 186 HB3 -0.13 0.13 -0.12 -0.04 1.99 1.82 2d2cP1 GLU 186 HG2 -0.12 0.11 0.12 -0.04 2.34 2.41 2d2cP1 GLU 186 HG3 -0.08 -0.01 0.08 -0.04 2.34 2.29 2d2cP1 GLU 187 H -0.12 0.26 0.26 -0.55 8.60 8.45 2d2cP1 GLU 187 HA 0.00 0.03 0.32 -0.75 4.29 3.89 2d2cP1 GLU 187 HB2 0.03 0.03 0.28 -0.04 2.09 2.39 2d2cP1 GLU 187 HB3 -0.07 0.11 -0.23 -0.04 1.99 1.76 2d2cP1 GLU 187 HG2 -0.05 -0.06 -0.15 -0.04 2.34 2.03 2d2cP1 GLU 187 HG3 -0.03 0.06 -0.13 -0.04 2.34 2.20 2d2cP1 ASP 188 H 0.01 0.38 0.34 -0.55 8.40 8.58 2d2cP1 ASP 188 HA -0.04 0.11 0.72 -0.75 4.63 4.66 2d2cP1 ASP 188 HB2 -0.00 -0.18 -0.36 -0.04 2.71 2.13 2d2cP1 ASP 188 HB3 0.01 0.03 -1.54 -0.04 2.70 1.16 2d2cP1 GLU 189 H -0.11 0.11 0.09 -0.55 8.60 8.14 2d2cP1 GLU 189 HA -0.20 0.07 0.63 -0.75 4.29 4.04 2d2cP1 GLU 189 HB2 -0.25 0.00 0.09 -0.04 2.09 1.89 2d2cP1 GLU 189 HB3 -0.34 -0.01 0.14 -0.04 1.99 1.75 2d2cP1 GLU 189 HG2 -0.67 -0.01 -0.01 -0.04 2.34 1.61 2d2cP1 GLU 189 HG3 -2.12 0.00 -0.19 -0.04 2.34 -0.00 2d2cP1 TYR 190 H -0.01 0.13 0.22 -0.55 8.29 8.08 2d2cP1 TYR 190 HA 0.01 0.01 0.34 -0.75 4.56 4.16 2d2cP1 TYR 190 HB2 0.01 0.35 0.33 -0.04 3.06 3.70 2d2cP1 TYR 190 HB3 0.01 -0.15 0.22 -0.04 2.98 3.03 2d2cP1 TYR 190 HD2 0.01 0.03 -0.01 -0.04 7.15 7.14 2d2cP1 TYR 190 HE2 0.00 0.01 -0.02 -0.04 6.85 6.80 2d2cP1 GLY 191 H 0.19 0.11 0.11 -0.55 8.43 8.30 2d2cP1 GLY 191 HA2 0.07 0.05 0.42 -0.51 4.01 4.05 2d2cP1 GLY 191 HA3 0.07 -0.01 0.40 -0.51 4.01 3.96 2d2cP1 ASN 192 H 0.06 0.70 0.22 -0.55 8.53 8.97 2d2cP1 ASN 192 HA 0.04 0.01 0.26 -0.75 4.76 4.31 2d2cP1 ASN 192 HB2 0.04 0.40 -0.02 -0.04 2.88 3.26 2d2cP1 ASN 192 HB3 0.03 -0.06 -0.32 -0.04 2.79 2.39 2d2cP1 ASN 192 HD21 0.01 -0.02 -0.00 -0.04 7.03 6.98 2d2cP1 ASN 192 HD22 0.02 0.11 0.06 -0.04 7.74 7.89 2d2cP1 VAL 193 H 0.04 0.15 -0.12 -0.55 8.24 7.76 2d2cP1 VAL 193 HA 0.04 -0.12 0.35 -0.75 4.13 3.65 2d2cP1 VAL 193 HB 0.08 -0.01 -0.03 -0.04 2.12 2.12 2d2cP1 VAL 193 HG13 0.25 0.01 0.10 -0.04 0.97 1.29 2d2cP1 VAL 193 HG23 0.04 0.07 0.38 -0.04 0.95 1.41 2d2cP1 LYS 194 H 0.03 0.14 -0.09 -0.55 8.42 7.94 2d2cP1 LYS 194 HA 0.11 0.11 0.65 -0.75 4.32 4.44 2d2cP1 LYS 194 HB2 0.01 -0.00 0.07 -0.04 1.87 1.90 2d2cP1 LYS 194 HB3 0.00 0.01 -0.05 -0.04 1.79 1.72 2d2cP1 LYS 194 HG2 0.01 -0.03 -0.01 -0.04 1.46 1.39 2d2cP1 LYS 194 HG3 -0.00 0.05 -0.01 -0.04 1.46 1.45 2d2cP1 LYS 194 HD2 -0.01 0.08 -0.05 -0.04 1.69 1.66 2d2cP1 LYS 194 HD3 0.01 -0.17 0.17 -0.04 1.68 1.64 2d2cP1 LYS 194 HE2 -0.03 0.02 -0.06 -0.04 2.99 2.88 2d2cP1 LYS 194 HE3 -0.08 0.10 -0.13 -0.04 2.99 2.84 2d2cP1 TYR 195 H 0.12 0.20 0.02 -0.55 8.29 8.07 2d2cP1 TYR 195 HA -0.04 -0.13 0.83 -0.75 4.56 4.46 2d2cP1 TYR 195 HB2 -0.08 0.07 -0.26 -0.04 3.06 2.75 2d2cP1 TYR 195 HB3 -0.05 0.06 0.12 -0.04 2.98 3.06 2d2cP1 TYR 195 HD2 -0.03 -0.11 -0.47 -0.04 7.15 6.50 2d2cP1 TYR 195 HE2 -0.02 -0.05 -0.04 -0.04 6.85 6.70 2d2cP1 GLN 196 H -0.03 0.06 -0.11 -0.55 8.47 7.85 2d2cP1 GLN 196 HA -0.01 0.12 0.43 -0.75 4.36 4.15 2d2cP1 GLN 196 HB2 -0.03 0.12 -0.00 -0.04 2.15 2.20 2d2cP1 GLN 196 HB3 -0.02 0.00 0.21 -0.04 2.02 2.18 2d2cP1 GLN 196 HG2 -0.02 -0.11 0.01 -0.04 2.40 2.24 2d2cP1 GLN 196 HG3 -0.02 0.02 0.03 -0.04 2.39 2.38 2d2cP1 GLN 196 HE21 -0.02 0.03 -0.05 -0.04 6.97 6.89 2d2cP1 GLN 196 HE22 -0.02 -0.05 -0.02 -0.04 7.69 7.56 2d2cP1 VAL 197 H -0.01 0.39 0.27 -0.55 8.24 8.35 2d2cP1 VAL 197 HA -0.00 -0.08 0.34 -0.75 4.13 3.63 2d2cP1 VAL 197 HB 0.01 -0.05 0.04 -0.04 2.12 2.08 2d2cP1 VAL 197 HG13 0.02 0.04 -0.12 -0.04 0.97 0.86 2d2cP1 VAL 197 HG23 0.01 -0.06 -0.18 -0.04 0.95 0.68 2d2cP1 SER 198 H 0.00 0.20 -0.09 -0.55 8.46 8.02 2d2cP1 SER 198 HA -0.00 0.09 0.83 -0.75 4.49 4.66 2d2cP1 SER 198 HB2 -0.01 0.06 -0.15 -0.04 3.95 3.81 2d2cP1 SER 198 HB3 -0.01 -0.07 0.01 -0.04 3.93 3.82 2d2cP1 ILE 199 H 0.01 -0.03 0.09 -0.55 8.25 7.77 2d2cP1 ILE 199 HA 0.01 0.04 0.42 -0.75 4.18 3.89 2d2cP1 ILE 199 HB 0.01 0.61 0.19 -0.04 1.89 2.66 2d2cP1 ILE 199 HG12 0.01 0.04 0.02 -0.04 1.49 1.52 2d2cP1 ILE 199 HG13 0.01 -0.22 0.15 -0.04 1.21 1.11 2d2cP1 ILE 199 HG23 0.01 -0.21 0.12 -0.04 0.93 0.81 2d2cP1 ILE 199 HD13 0.01 0.04 -0.21 -0.04 0.88 0.68 2d2cP1 GLN 200 H 0.01 0.07 0.01 -0.55 8.47 8.00 2d2cP1 GLN 200 HA 0.00 0.30 0.83 -0.75 4.36 4.74 2d2cP1 GLN 200 HB2 0.00 -0.29 0.04 -0.04 2.15 1.87 2d2cP1 GLN 200 HB3 0.00 -0.08 -0.07 -0.04 2.02 1.83 2d2cP1 GLN 200 HG2 0.00 0.01 0.06 -0.04 2.40 2.42 2d2cP1 GLN 200 HG3 0.00 -0.03 -0.08 -0.04 2.39 2.24 2d2cP1 GLN 200 HE21 -0.00 0.03 0.00 -0.04 6.97 6.96 2d2cP1 GLN 200 HE22 0.00 -0.04 -0.02 -0.04 7.69 7.59 2d2cP1 THR 201 H 0.00 0.10 -0.22 -0.55 8.28 7.62 2d2cP1 THR 201 HA 0.00 -0.03 0.10 -0.75 4.39 3.71 2d2cP1 THR 201 HB 0.00 0.12 0.11 -0.04 4.32 4.51 2d2cP1 THR 201 HG23 0.00 0.05 -0.10 -0.04 1.22 1.13 2d2cP1 ASP 202 H 0.00 0.03 -0.19 -0.55 8.40 7.69 2d2cP1 ASP 202 HA 0.00 0.19 0.26 -0.75 4.63 4.33 2d2cP1 ASP 202 HB2 0.00 -0.07 0.03 -0.04 2.71 2.63 2d2cP1 ASP 202 HB3 0.00 -0.00 -0.07 -0.04 2.70 2.59 2d2cP1 SER 203 H 0.00 -0.07 -0.58 -0.55 8.46 7.26 2d2cP1 SER 203 HA 0.00 0.01 0.33 -0.75 4.49 4.09 2d2cP1 SER 203 HB2 0.00 0.08 0.14 -0.04 3.95 4.13 2d2cP1 SER 203 HB3 0.00 -0.00 0.09 -0.04 3.93 3.98 2d2cP1 GLY 204 H 0.00 0.51 0.31 -0.55 8.43 8.70 2d2cP1 GLY 204 HA2 0.00 -0.05 0.31 -0.51 4.01 3.76 2d2cP1 GLY 204 HA3 0.00 0.06 0.73 -0.51 4.01 4.29 2d2cP1 LYS 205 H 0.00 0.11 0.11 -0.55 8.42 8.09 2d2cP1 LYS 205 HA 0.00 0.02 0.54 -0.75 4.32 4.13 2d2cP1 LYS 205 HB2 0.00 -0.06 0.13 -0.04 1.87 1.90 2d2cP1 LYS 205 HB3 0.00 0.01 0.10 -0.04 1.79 1.85 2d2cP1 LYS 205 HG2 0.00 0.00 0.00 -0.04 1.46 1.42 2d2cP1 LYS 205 HG3 0.00 -0.04 -0.01 -0.04 1.46 1.38 2d2cP1 LYS 205 HD2 0.00 -0.03 -0.09 -0.04 1.69 1.53 2d2cP1 LYS 205 HD3 0.00 -0.03 -0.17 -0.04 1.68 1.44 2d2cP1 LYS 205 HE2 0.00 0.08 -0.95 -0.04 2.99 2.08 2d2cP1 LYS 205 HE3 0.00 -0.04 -0.15 -0.04 2.99 2.76 2d2cP1 THR 206 H 0.00 0.07 0.15 -0.55 8.28 7.96 2d2cP1 THR 206 HA 0.00 0.44 0.56 -0.75 4.39 4.64 2d2cP1 THR 206 HB 0.00 -0.07 -0.07 -0.04 4.32 4.14 2d2cP1 THR 206 HG23 0.00 -0.03 0.13 -0.04 1.22 1.28 2d2cP1 VAL 207 H 0.00 0.25 0.15 -0.55 8.24 8.09 2d2cP1 VAL 207 HA 0.00 0.09 0.66 -0.75 4.13 4.13 2d2cP1 VAL 207 HB 0.01 0.04 0.08 -0.04 2.12 2.21 2d2cP1 VAL 207 HG13 0.00 0.01 -0.10 -0.04 0.97 0.85 2d2cP1 VAL 207 HG23 0.01 0.02 0.06 -0.04 0.95 0.99 2d2cP1 VAL 208 H 0.01 0.24 0.18 -0.55 8.24 8.11 2d2cP1 VAL 208 HA 0.01 0.03 0.56 -0.75 4.13 3.97 2d2cP1 VAL 208 HB 0.00 -0.26 0.21 -0.04 2.12 2.04 2d2cP1 VAL 208 HG13 0.00 0.00 -0.50 -0.04 0.97 0.43 2d2cP1 VAL 208 HG23 0.00 0.03 -0.09 -0.04 0.95 0.86 2d2cP1 ASP 209 H 0.01 0.13 0.10 -0.55 8.40 8.08 2d2cP1 ASP 209 HA 0.01 0.17 0.64 -0.75 4.63 4.70 2d2cP1 ASP 209 HB2 0.02 -0.03 -0.06 -0.04 2.71 2.60 2d2cP1 ASP 209 HB3 0.03 -0.05 0.12 -0.04 2.70 2.76 2d2cP1 THR 210 H 0.02 0.23 0.07 -0.55 8.28 8.05 2d2cP1 THR 210 HA -0.01 0.09 1.02 -0.75 4.39 4.74 2d2cP1 THR 210 HB -0.01 0.01 -0.05 -0.04 4.32 4.23 2d2cP1 THR 210 HG23 0.01 -0.00 0.08 -0.04 1.22 1.27 2d2cP1 ILE 211 H -0.02 0.12 0.06 -0.55 8.25 7.86 2d2cP1 ILE 211 HA -0.12 0.15 0.77 -0.75 4.18 4.23 2d2cP1 ILE 211 HB 0.01 -0.02 0.09 -0.04 1.89 1.93 2d2cP1 ILE 211 HG12 -0.31 0.31 0.08 -0.04 1.49 1.52 2d2cP1 ILE 211 HG13 -0.12 -0.06 0.22 -0.04 1.21 1.22 2d2cP1 ILE 211 HG23 -0.01 0.00 0.03 -0.04 0.93 0.91 2d2cP1 ILE 211 HD13 0.03 -0.03 0.15 -0.04 0.88 0.98 2d2cP1 PRO 212 HA -0.12 -0.08 0.76 -0.51 4.44 4.49 2d2cP1 PRO 212 HB2 -0.20 -0.03 0.16 -0.04 2.28 2.17 2d2cP1 PRO 212 HB3 -0.19 -0.04 0.05 -0.04 2.02 1.80 2d2cP1 PRO 212 HG2 -1.14 0.25 0.05 -0.04 2.03 1.15 2d2cP1 PRO 212 HG3 -0.61 0.05 0.08 -0.04 2.03 1.51 2d2cP1 PRO 212 HD2 -1.55 0.07 0.28 -0.04 3.68 2.44 2d2cP1 PRO 212 HD3 -0.42 0.16 0.18 -0.04 3.65 3.52 2d2cP1 ALA 213 H -0.09 -0.02 0.18 -0.55 8.40 7.92 2d2cP1 ALA 213 HA -0.41 0.09 0.40 -0.75 4.34 3.67 2d2cP1 ALA 213 HB3 -0.08 0.06 0.17 -0.04 1.41 1.51 2d2cP1 GLY 214 H -0.28 0.11 0.06 -0.55 8.43 7.78 2d2cP1 GLY 214 HA2 -0.06 -0.11 0.31 -0.51 4.01 3.64 2d2cP1 GLY 214 HA3 -0.02 0.25 0.88 -0.51 4.01 4.60 2d2cP1 PRO 215 HA 0.03 -0.11 0.42 -0.51 4.44 4.27 2d2cP1 PRO 215 HB2 0.10 -0.02 0.05 -0.04 2.28 2.37 2d2cP1 PRO 215 HB3 0.19 0.04 0.17 -0.04 2.02 2.37 2d2cP1 PRO 215 HG2 -0.03 0.07 0.14 -0.04 2.03 2.16 2d2cP1 PRO 215 HG3 0.31 -0.01 0.20 -0.04 2.03 2.48 2d2cP1 PRO 215 HD2 -0.15 0.47 -0.21 -0.04 3.68 3.75 2d2cP1 PRO 215 HD3 0.34 0.12 0.24 -0.04 3.65 4.31 2d2cP1 GLU 216 H 0.00 0.01 0.06 -0.55 8.60 8.13 2d2cP1 GLU 216 HA -0.03 0.10 0.37 -0.75 4.29 3.98 2d2cP1 GLU 216 HB2 -0.00 -0.00 0.15 -0.04 2.09 2.19 2d2cP1 GLU 216 HB3 0.00 -0.05 0.22 -0.04 1.99 2.12 2d2cP1 GLU 216 HG2 -0.01 0.03 0.06 -0.04 2.34 2.38 2d2cP1 GLU 216 HG3 -0.00 0.01 0.07 -0.04 2.34 2.38 2d2cP1 LEU 217 H 0.01 0.14 0.09 -0.55 8.37 8.07 2d2cP1 LEU 217 HA 0.02 0.07 0.46 -0.75 4.35 4.15 2d2cP1 LEU 217 HB2 0.03 0.02 0.00 -0.04 1.64 1.64 2d2cP1 LEU 217 HB3 0.03 -0.11 0.15 -0.04 1.64 1.67 2d2cP1 LEU 217 HG 0.02 -0.06 -0.77 -0.04 1.64 0.79 2d2cP1 LEU 217 HD13 0.08 -0.01 -0.05 -0.04 0.93 0.91 2d2cP1 LEU 217 HD23 0.04 0.04 0.08 -0.04 0.89 1.01 2d2cP1 ILE 218 H 0.02 0.19 0.03 -0.55 8.25 7.95 2d2cP1 ILE 218 HA 0.01 0.08 0.53 -0.75 4.18 4.05 2d2cP1 ILE 218 HB 0.01 -0.17 0.22 -0.04 1.89 1.91 2d2cP1 ILE 218 HG12 0.02 -0.10 -0.23 -0.04 1.49 1.14 2d2cP1 ILE 218 HG13 0.02 0.02 0.10 -0.04 1.21 1.31 2d2cP1 ILE 218 HG23 0.01 0.09 0.07 -0.04 0.93 1.05 2d2cP1 ILE 218 HD13 0.02 0.04 0.08 -0.04 0.88 0.97 2d2cP1 VAL 219 H 0.01 0.10 0.13 -0.55 8.24 7.94 2d2cP1 VAL 219 HA 0.01 0.12 0.55 -0.75 4.13 4.06 2d2cP1 VAL 219 HB 0.01 0.04 0.04 -0.04 2.12 2.17 2d2cP1 VAL 219 HG13 0.01 -0.04 0.05 -0.04 0.97 0.95 2d2cP1 VAL 219 HG23 0.01 0.01 0.03 -0.04 0.95 0.95 2d2cP1 SER 220 H 0.01 0.06 0.05 -0.55 8.46 8.04 2d2cP1 SER 220 HA 0.01 0.27 0.96 -0.75 4.49 4.98 2d2cP1 SER 220 HB2 0.01 0.07 -0.09 -0.04 3.95 3.90 2d2cP1 SER 220 HB3 0.01 -0.11 0.17 -0.04 3.93 3.96 2d2cP1 GLU 221 H 0.01 0.07 0.09 -0.55 8.60 8.23 2d2cP1 GLU 221 HA 0.01 0.36 0.93 -0.75 4.29 4.84 2d2cP1 GLU 221 HB2 0.00 -0.05 0.17 -0.04 2.09 2.17 2d2cP1 GLU 221 HB3 0.00 0.10 -0.07 -0.04 1.99 1.98 2d2cP1 GLU 221 HG2 0.00 -0.03 -0.14 -0.04 2.34 2.13 2d2cP1 GLU 221 HG3 0.00 0.04 0.03 -0.04 2.34 2.37 2d2cP1 GLY 222 H 0.00 0.27 0.09 -0.55 8.43 8.24 2d2cP1 GLY 222 HA2 0.00 0.03 0.35 -0.51 4.01 3.89 2d2cP1 GLY 222 HA3 0.00 0.11 0.53 -0.51 4.01 4.14 2d2cP1 GLN 223 H 0.00 0.08 -0.94 -0.55 8.47 7.07 2d2cP1 GLN 223 HA 0.00 0.07 0.44 -0.75 4.36 4.11 2d2cP1 GLN 223 HB2 0.01 -0.20 0.18 -0.04 2.15 2.09 2d2cP1 GLN 223 HB3 0.00 0.18 -0.07 -0.04 2.02 2.10 2d2cP1 GLN 223 HG2 0.01 0.21 -0.28 -0.04 2.40 2.30 2d2cP1 GLN 223 HG3 0.01 0.05 -0.12 -0.04 2.39 2.28 2d2cP1 GLN 223 HE21 0.01 0.03 -0.01 -0.04 6.97 6.95 2d2cP1 GLN 223 HE22 0.01 -0.00 -0.03 -0.04 7.69 7.63 2d2cP1 ALA 224 H 0.01 0.15 0.07 -0.55 8.40 8.08 2d2cP1 ALA 224 HA 0.01 0.04 0.27 -0.75 4.34 3.91 2d2cP1 ALA 224 HB3 0.01 0.12 0.19 -0.04 1.41 1.69 2d2cP1 VAL 225 H 0.01 -0.03 -0.22 -0.55 8.24 7.45 2d2cP1 VAL 225 HA 0.01 0.13 -0.00 -0.75 4.13 3.51 2d2cP1 VAL 225 HB 0.01 -0.25 0.18 -0.04 2.12 2.02 2d2cP1 VAL 225 HG13 0.00 0.01 -0.17 -0.04 0.97 0.77 2d2cP1 VAL 225 HG23 0.00 -0.01 -0.04 -0.04 0.95 0.87 2d2cP1 LYS 226 H 0.01 0.14 0.02 -0.55 8.42 8.03 2d2cP1 LYS 226 HA 0.01 0.07 0.36 -0.75 4.32 4.00 2d2cP1 LYS 226 HB2 0.01 -0.02 -0.19 -0.04 1.87 1.63 2d2cP1 LYS 226 HB3 0.01 0.17 0.19 -0.04 1.79 2.12 2d2cP1 LYS 226 HG2 0.01 -0.00 -0.14 -0.04 1.46 1.29 2d2cP1 LYS 226 HG3 0.01 0.03 -0.06 -0.04 1.46 1.39 2d2cP1 LYS 226 HD2 0.01 0.03 -0.04 -0.04 1.69 1.64 2d2cP1 LYS 226 HD3 0.01 0.02 -0.05 -0.04 1.68 1.62 2d2cP1 LYS 226 HE2 0.01 -0.17 0.02 -0.04 2.99 2.81 2d2cP1 LYS 226 HE3 0.01 0.05 -0.02 -0.04 2.99 2.99 2d2cP1 ALA 227 H 0.01 0.05 0.34 -0.55 8.40 8.25 2d2cP1 ALA 227 HA 0.01 -0.05 0.27 -0.75 4.34 3.82 2d2cP1 ALA 227 HB3 0.01 0.07 -0.02 -0.04 1.41 1.43 2d2cP1 GLY 228 H 0.01 0.20 0.25 -0.55 8.43 8.34 2d2cP1 GLY 228 HA2 0.01 0.14 0.41 -0.51 4.01 4.06 2d2cP1 GLY 228 HA3 0.01 -0.29 0.48 -0.51 4.01 3.70 2d2cP1 GLU 229 H 0.01 0.07 -0.01 -0.55 8.60 8.13 2d2cP1 GLU 229 HA 0.01 0.32 0.89 -0.75 4.29 4.76 2d2cP1 GLU 229 HB2 0.01 -0.03 -0.15 -0.04 2.09 1.88 2d2cP1 GLU 229 HB3 0.01 -0.10 0.16 -0.04 1.99 2.02 2d2cP1 GLU 229 HG2 0.01 0.00 -0.03 -0.04 2.34 2.28 2d2cP1 GLU 229 HG3 0.01 -0.01 -0.03 -0.04 2.34 2.27 2d2cP1 ALA 230 H 0.02 0.04 0.08 -0.55 8.40 7.99 2d2cP1 ALA 230 HA 0.02 0.04 0.44 -0.75 4.34 4.09 2d2cP1 ALA 230 HB3 0.01 -0.00 0.04 -0.04 1.41 1.43 2d2cP1 LEU 231 H 0.04 -0.00 -0.10 -0.55 8.37 7.76 2d2cP1 LEU 231 HA 0.05 0.24 0.67 -0.75 4.35 4.55 2d2cP1 LEU 231 HB2 0.10 -0.16 0.30 -0.04 1.64 1.83 2d2cP1 LEU 231 HB3 0.12 0.91 -0.01 -0.04 1.64 2.61 2d2cP1 LEU 231 HG 0.11 -0.24 0.01 -0.04 1.64 1.47 2d2cP1 LEU 231 HD13 0.05 -0.03 -0.43 -0.04 0.93 0.49 2d2cP1 LEU 231 HD23 0.26 0.13 0.30 -0.04 0.89 1.53 2d2cP1 THR 232 H 0.06 0.19 0.16 -0.55 8.28 8.15 2d2cP1 THR 232 HA 0.03 0.10 0.64 -0.75 4.39 4.41 2d2cP1 THR 232 HB 0.03 -0.19 0.06 -0.04 4.32 4.18 2d2cP1 THR 232 HG23 0.03 0.00 0.03 -0.04 1.22 1.24 2d2cP1 ASN 233 H 0.07 0.19 0.09 -0.55 8.53 8.33 2d2cP1 ASN 233 HA 0.03 0.17 0.70 -0.75 4.76 4.90 2d2cP1 ASN 233 HB2 0.02 0.06 -0.77 -0.04 2.88 2.15 2d2cP1 ASN 233 HB3 0.03 0.02 -0.36 -0.04 2.79 2.44 2d2cP1 ASN 233 HD21 0.01 0.10 -0.02 -0.04 7.03 7.07 2d2cP1 ASN 233 HD22 0.01 -0.20 0.02 -0.04 7.74 7.52 2d2cP1 ASN 234 H 0.02 0.24 0.06 -0.55 8.53 8.30 2d2cP1 ASN 234 HA 0.02 0.27 0.86 -0.75 4.76 5.15 2d2cP1 ASN 234 HB2 -0.01 -0.05 -0.07 -0.04 2.88 2.71 2d2cP1 ASN 234 HB3 -0.00 0.02 0.10 -0.04 2.79 2.87 2d2cP1 ASN 234 HD21 -0.03 0.06 -0.24 -0.04 7.03 6.78 2d2cP1 ASN 234 HD22 -0.01 0.04 -0.23 -0.04 7.74 7.49 2d2cP1 PRO 235 HA 0.00 0.15 0.60 -0.51 4.44 4.68 2d2cP1 PRO 235 HB2 0.01 -0.06 -0.04 -0.04 2.28 2.15 2d2cP1 PRO 235 HB3 0.03 0.01 -0.02 -0.04 2.02 2.00 2d2cP1 PRO 235 HG2 0.02 -0.23 0.29 -0.04 2.03 2.07 2d2cP1 PRO 235 HG3 0.13 0.17 0.11 -0.04 2.03 2.40 2d2cP1 PRO 235 HD2 0.02 0.31 0.15 -0.04 3.68 4.11 2d2cP1 PRO 235 HD3 0.10 0.13 0.09 -0.04 3.65 3.93 2d2cP1 ASN 236 H -0.04 0.07 -0.07 -0.55 8.53 7.94 2d2cP1 ASN 236 HA -0.06 -0.13 0.29 -0.75 4.76 4.10 2d2cP1 ASN 236 HB2 -0.08 0.04 -0.82 -0.04 2.88 1.97 2d2cP1 ASN 236 HB3 -0.05 -0.02 -0.13 -0.04 2.79 2.55 2d2cP1 ASN 236 HD21 -0.04 0.20 0.02 -0.04 7.03 7.17 2d2cP1 ASN 236 HD22 -0.05 -0.09 -0.08 -0.04 7.74 7.48 2d2cP1 VAL 237 H -0.06 -0.19 0.26 -0.55 8.24 7.71 2d2cP1 VAL 237 HA -0.03 0.19 0.62 -0.75 4.13 4.16 2d2cP1 VAL 237 HB -0.06 -0.02 0.08 -0.04 2.12 2.08 2d2cP1 VAL 237 HG13 -0.03 0.10 -0.09 -0.04 0.97 0.91 2d2cP1 VAL 237 HG23 -0.07 -0.05 -0.07 -0.04 0.95 0.72 2d2cP1 GLY 238 H -0.05 -0.21 0.17 -0.55 8.43 7.79 2d2cP1 GLY 238 HA2 0.06 0.11 0.34 -0.51 4.01 4.01 2d2cP1 GLY 238 HA3 0.05 0.15 0.27 -0.51 4.01 3.97 2d2cP1 GLY 239 H 0.07 0.35 -0.10 -0.55 8.43 8.20 2d2cP1 GLY 239 HA2 0.07 -0.05 1.00 -0.51 4.01 4.51 2d2cP1 GLY 239 HA3 0.04 0.05 0.22 -0.51 4.01 3.82 2d2cP1 PHE 240 H 0.15 -0.09 0.11 -0.55 8.34 7.96 2d2cP1 PHE 240 HA -0.05 0.63 1.03 -0.75 4.62 5.48 2d2cP1 PHE 240 HB2 -0.08 0.00 -0.16 -0.04 3.15 2.87 2d2cP1 PHE 240 HB3 -0.01 -0.21 0.07 -0.04 3.06 2.87 2d2cP1 PHE 240 HD2 -0.04 0.24 -0.05 -0.04 7.28 7.39 2d2cP1 PHE 240 HE2 -0.04 -0.22 -0.10 -0.04 7.38 6.97 2d2cP1 PHE 240 HZ -0.05 -0.14 0.00 -0.04 7.32 7.09 2d2cP1 GLY 241 H 0.09 0.26 0.08 -0.55 8.43 8.32 2d2cP1 GLY 241 HA2 -0.20 0.16 0.87 -0.51 4.01 4.32 2d2cP1 GLY 241 HA3 -0.08 0.03 0.27 -0.51 4.01 3.72 2d2cP1 GLN 242 H -0.09 0.12 -0.01 -0.55 8.47 7.94 2d2cP1 GLN 242 HA -0.06 0.10 0.49 -0.75 4.36 4.14 2d2cP1 GLN 242 HB2 -0.30 0.25 0.64 -0.04 2.15 2.71 2d2cP1 GLN 242 HB3 -0.22 -0.10 -0.16 -0.04 2.02 1.49 2d2cP1 GLN 242 HG2 -0.10 -0.10 -0.28 -0.04 2.40 1.88 2d2cP1 GLN 242 HG3 -0.06 0.23 0.06 -0.04 2.39 2.58 2d2cP1 GLN 242 HE21 -0.08 0.11 0.17 -0.04 6.97 7.13 2d2cP1 GLN 242 HE22 -0.10 -0.05 -0.02 -0.04 7.69 7.48 2d2cP1 ASP 243 H -0.03 0.32 0.21 -0.55 8.40 8.35 2d2cP1 ASP 243 HA -0.04 0.14 0.99 -0.75 4.63 4.96 2d2cP1 ASP 243 HB2 -0.03 0.16 -0.06 -0.04 2.71 2.74 2d2cP1 ASP 243 HB3 -0.02 -0.05 -0.01 -0.04 2.70 2.57 2d2cP1 ASP 244 H -0.03 0.14 0.24 -0.55 8.40 8.21 2d2cP1 ASP 244 HA 0.10 0.22 1.12 -0.75 4.63 5.31 2d2cP1 ASP 244 HB2 -0.03 -0.04 0.09 -0.04 2.71 2.70 2d2cP1 ASP 244 HB3 0.08 0.02 0.18 -0.04 2.70 2.95 2d2cP1 THR 245 H 0.12 0.59 0.45 -0.55 8.28 8.89 2d2cP1 THR 245 HA 0.01 0.04 0.55 -0.75 4.39 4.23 2d2cP1 THR 245 HB -0.01 0.09 -0.05 -0.04 4.32 4.31 2d2cP1 THR 245 HG23 -0.03 0.05 -0.13 -0.04 1.22 1.07 2d2cP1 GLU 246 H -0.03 0.26 0.20 -0.55 8.60 8.48 2d2cP1 GLU 246 HA -0.05 0.29 0.56 -0.75 4.29 4.35 2d2cP1 GLU 246 HB2 -0.01 -0.03 -0.03 -0.04 2.09 1.98 2d2cP1 GLU 246 HB3 0.00 0.11 -0.21 -0.04 1.99 1.84 2d2cP1 GLU 246 HG2 -0.02 0.03 -0.22 -0.04 2.34 2.10 2d2cP1 GLU 246 HG3 -0.01 -0.06 -0.12 -0.04 2.34 2.11 2d2cP1 ILE 247 H -0.08 0.39 0.32 -0.55 8.25 8.34 2d2cP1 ILE 247 HA -0.07 0.30 1.11 -0.75 4.18 4.76 2d2cP1 ILE 247 HB -0.14 -0.02 -0.09 -0.04 1.89 1.60 2d2cP1 ILE 247 HG12 -0.15 -0.09 -0.05 -0.04 1.49 1.16 2d2cP1 ILE 247 HG13 -0.14 0.45 0.15 -0.04 1.21 1.63 2d2cP1 ILE 247 HG23 -0.29 -0.01 -0.13 -0.04 0.93 0.46 2d2cP1 ILE 247 HD13 -0.35 -0.07 -0.20 -0.04 0.88 0.22 2d2cP1 VAL 248 H -0.05 0.61 0.40 -0.55 8.24 8.66 2d2cP1 VAL 248 HA 0.07 0.35 0.99 -0.75 4.13 4.78 2d2cP1 VAL 248 HB 0.02 -0.06 -0.01 -0.04 2.12 2.03 2d2cP1 VAL 248 HG13 0.10 -0.00 -0.22 -0.04 0.97 0.80 2d2cP1 VAL 248 HG23 0.02 -0.00 -0.14 -0.04 0.95 0.78 2d2cP1 LEU 249 H 0.15 0.34 0.16 -0.55 8.37 8.47 2d2cP1 LEU 249 HA 0.09 0.48 0.87 -0.75 4.35 5.03 2d2cP1 LEU 249 HB2 -0.05 -0.15 -0.06 -0.04 1.64 1.34 2d2cP1 LEU 249 HB3 -0.01 0.02 -0.00 -0.04 1.64 1.60 2d2cP1 LEU 249 HG 0.21 0.02 -0.16 -0.04 1.64 1.68 2d2cP1 LEU 249 HD13 0.15 -0.07 0.01 -0.04 0.93 0.98 2d2cP1 LEU 249 HD23 -0.02 0.00 -0.09 -0.04 0.89 0.74 2d2cP1 GLN 250 H 0.14 0.30 0.13 -0.55 8.47 8.50 2d2cP1 GLN 250 HA 0.29 0.17 1.11 -0.75 4.36 5.17 2d2cP1 GLN 250 HB2 0.08 0.05 -0.07 -0.04 2.15 2.17 2d2cP1 GLN 250 HB3 0.08 -0.05 -0.23 -0.04 2.02 1.77 2d2cP1 GLN 250 HG2 0.09 0.06 -0.38 -0.04 2.40 2.13 2d2cP1 GLN 250 HG3 0.05 -0.01 -0.14 -0.04 2.39 2.24 2d2cP1 GLN 250 HE21 0.03 -0.03 0.01 -0.04 6.97 6.94 2d2cP1 GLN 250 HE22 0.08 0.05 -0.05 -0.04 7.69 7.73 2d2cP1 ASP 251 H -0.02 0.18 0.08 -0.55 8.40 8.10 2d2cP1 ASP 251 HA 0.26 0.16 0.51 -0.75 4.63 4.80 2d2cP1 ASP 251 HB2 -0.85 0.09 0.10 -0.04 2.71 2.01 2d2cP1 ASP 251 HB3 -0.30 -0.01 0.17 -0.04 2.70 2.51 2d2cP1 PRO 252 HA -0.01 0.07 0.48 -0.51 4.44 4.47 2d2cP1 PRO 252 HB2 -0.04 0.02 0.06 -0.04 2.28 2.28 2d2cP1 PRO 252 HB3 -0.00 0.11 0.15 -0.04 2.02 2.25 2d2cP1 PRO 252 HG2 -0.00 -0.09 0.17 -0.04 2.03 2.07 2d2cP1 PRO 252 HG3 0.02 0.13 0.15 -0.04 2.03 2.28 2d2cP1 PRO 252 HD2 0.12 0.04 0.36 -0.04 3.68 4.16 2d2cP1 PRO 252 HD3 0.08 0.39 0.37 -0.04 3.65 4.45 2d2cP1 ASN 253 H -0.07 0.24 -0.09 -0.55 8.53 8.07 2d2cP1 ASN 253 HA -0.34 0.03 0.37 -0.75 4.76 4.07 2d2cP1 ASN 253 HB2 -0.11 0.01 0.09 -0.04 2.88 2.84 2d2cP1 ASN 253 HB3 -0.16 0.06 0.03 -0.04 2.79 2.68 2d2cP1 ASN 253 HD21 -0.29 0.03 0.04 -0.04 7.03 6.78 2d2cP1 ASN 253 HD22 -0.26 0.01 0.07 -0.04 7.74 7.52 2d2cP1 ARG 254 H -0.07 0.30 -1.40 -0.55 8.46 6.74 2d2cP1 ARG 254 HA 0.07 0.10 0.72 -0.75 4.34 4.48 2d2cP1 ARG 254 HB2 -0.11 -0.15 0.02 -0.04 1.90 1.62 2d2cP1 ARG 254 HB3 -0.06 0.21 0.09 -0.04 1.80 2.00 2d2cP1 ARG 254 HG2 -0.00 -0.02 0.11 -0.04 1.67 1.73 2d2cP1 ARG 254 HG3 -0.08 -0.00 0.05 -0.04 1.67 1.60 2d2cP1 ARG 254 HD2 -0.16 -0.13 0.07 -0.04 3.22 2.96 2d2cP1 ARG 254 HD3 -0.04 0.02 -0.01 -0.04 3.22 3.14 2d2cP1 VAL 255 H -0.03 0.57 0.26 -0.55 8.24 8.48 2d2cP1 VAL 255 HA 0.03 0.14 0.74 -0.75 4.13 4.29 2d2cP1 VAL 255 HB -0.01 0.02 0.16 -0.04 2.12 2.25 2d2cP1 VAL 255 HG13 0.02 -0.00 -0.05 -0.04 0.97 0.89 2d2cP1 VAL 255 HG23 0.02 0.03 -0.11 -0.04 0.95 0.85 2d2cP1 LYS 256 H -0.08 0.69 0.20 -0.55 8.42 8.68 2d2cP1 LYS 256 HA -0.02 0.07 0.41 -0.75 4.32 4.02 2d2cP1 LYS 256 HB2 -0.19 0.04 0.07 -0.04 1.87 1.75 2d2cP1 LYS 256 HB3 -0.34 -0.03 0.14 -0.04 1.79 1.52 2d2cP1 LYS 256 HG2 -0.43 0.02 -0.22 -0.04 1.46 0.79 2d2cP1 LYS 256 HG3 -0.21 0.01 -0.05 -0.04 1.46 1.17 2d2cP1 LYS 256 HD2 -0.41 0.01 -0.00 -0.04 1.69 1.25 2d2cP1 LYS 256 HD3 -0.92 -0.00 0.05 -0.04 1.68 0.76 2d2cP1 LYS 256 HE2 -1.95 0.00 -0.02 -0.04 2.99 0.98 2d2cP1 LYS 256 HE3 -0.41 0.01 -0.02 -0.04 2.99 2.52 2d2cP1 TRP 257 H -0.07 0.27 -0.22 -0.55 7.97 7.40 2d2cP1 TRP 257 HA 0.05 0.01 0.27 -0.75 4.62 4.19 2d2cP1 TRP 257 HB2 0.00 0.06 0.03 -0.04 3.23 3.28 2d2cP1 TRP 257 HB3 0.03 0.03 -0.07 -0.04 3.23 3.18 2d2cP1 TRP 257 HD1 -0.01 0.02 0.10 -0.04 7.22 7.28 2d2cP1 TRP 257 HE1 0.00 -0.02 0.04 -0.04 10.20 10.18 2d2cP1 TRP 257 HE3 0.04 -0.08 -0.04 -0.04 7.59 7.46 2d2cP1 TRP 257 HZ2 0.01 0.01 0.01 -0.04 7.44 7.43 2d2cP1 TRP 257 HZ3 0.02 0.01 -0.03 -0.04 7.13 7.08 2d2cP1 TRP 257 HH2 0.01 0.01 -0.01 -0.04 7.19 7.17 2d2cP1 MET 258 H 0.20 0.24 -0.57 -0.55 8.47 7.79 2d2cP1 MET 258 HA 0.12 0.03 0.40 -0.75 4.52 4.31 2d2cP1 MET 258 HB2 0.03 -0.04 0.11 -0.04 2.15 2.21 2d2cP1 MET 258 HB3 0.07 0.17 0.16 -0.04 2.03 2.39 2d2cP1 MET 258 HG2 0.04 -0.05 0.07 -0.04 2.63 2.66 2d2cP1 MET 258 HG3 0.08 0.36 0.09 -0.04 2.56 3.04 2d2cP1 MET 258 HE3 0.03 -0.00 -0.02 -0.04 2.10 2.07 2d2cP1 ILE 259 H 0.14 0.65 -0.12 -0.55 8.25 8.37 2d2cP1 ILE 259 HA 0.10 0.00 0.61 -0.75 4.18 4.14 2d2cP1 ILE 259 HB 0.07 0.15 0.31 -0.04 1.89 2.39 2d2cP1 ILE 259 HG12 0.05 -0.06 0.06 -0.04 1.49 1.49 2d2cP1 ILE 259 HG13 0.05 0.18 0.08 -0.04 1.21 1.49 2d2cP1 ILE 259 HG23 0.06 -0.03 -0.16 -0.04 0.93 0.76 2d2cP1 ILE 259 HD13 0.02 -0.03 -0.03 -0.04 0.88 0.80 2d2cP1 ALA 260 H 0.22 0.86 0.07 -0.55 8.40 9.00 2d2cP1 ALA 260 HA 0.14 -0.01 0.34 -0.75 4.34 4.05 2d2cP1 ALA 260 HB3 0.40 0.01 -0.01 -0.04 1.41 1.76 2d2cP1 PHE 261 H 0.30 0.27 -0.91 -0.55 8.34 7.44 2d2cP1 PHE 261 HA 0.02 0.03 0.52 -0.75 4.62 4.44 2d2cP1 PHE 261 HB2 0.03 0.10 0.09 -0.04 3.15 3.34 2d2cP1 PHE 261 HB3 0.04 0.25 0.13 -0.04 3.06 3.44 2d2cP1 PHE 261 HD2 -0.02 0.02 -0.13 -0.04 7.28 7.10 2d2cP1 PHE 261 HE2 -0.03 -0.01 0.01 -0.04 7.38 7.31 2d2cP1 PHE 261 HZ -0.02 -0.01 0.01 -0.04 7.32 7.26 2d2cP1 ILE 262 H 0.19 0.38 0.00 -0.55 8.25 8.27 2d2cP1 ILE 262 HA 0.15 0.01 0.50 -0.75 4.18 4.09 2d2cP1 ILE 262 HB 0.07 0.10 0.31 -0.04 1.89 2.34 2d2cP1 ILE 262 HG12 0.11 -0.05 0.12 -0.04 1.49 1.63 2d2cP1 ILE 262 HG13 0.14 0.29 0.32 -0.04 1.21 1.92 2d2cP1 ILE 262 HG23 0.05 -0.02 -0.12 -0.04 0.93 0.80 2d2cP1 ILE 262 HD13 0.06 -0.02 0.07 -0.04 0.88 0.95 2d2cP1 CYS 263 H 0.04 0.44 -0.02 -0.55 8.50 8.41 2d2cP1 CYS 263 HA 0.00 -0.02 0.28 -0.75 4.58 4.08 2d2cP1 CYS 263 HB2 0.01 0.16 -0.03 -0.04 2.97 3.07 2d2cP1 CYS 263 HB3 0.00 -0.02 0.02 -0.04 2.97 2.94 2d2cP1 LEU 264 H -0.13 0.27 -0.98 -0.55 8.37 6.99 2d2cP1 LEU 264 HA -0.11 0.05 0.56 -0.75 4.35 4.10 2d2cP1 LEU 264 HB2 -0.52 0.15 0.18 -0.04 1.64 1.41 2d2cP1 LEU 264 HB3 -0.26 -0.08 0.07 -0.04 1.64 1.32 2d2cP1 LEU 264 HG -0.27 0.16 0.17 -0.04 1.64 1.66 2d2cP1 LEU 264 HD13 -0.26 -0.02 0.02 -0.04 0.93 0.62 2d2cP1 LEU 264 HD23 -0.08 -0.06 -0.10 -0.04 0.89 0.61 2d2cP1 VAL 265 H -0.17 0.54 0.24 -0.55 8.24 8.30 2d2cP1 VAL 265 HA -0.06 -0.05 0.50 -0.75 4.13 3.77 2d2cP1 VAL 265 HB 0.02 0.03 0.31 -0.04 2.12 2.45 2d2cP1 VAL 265 HG13 0.03 -0.01 -0.06 -0.04 0.97 0.88 2d2cP1 VAL 265 HG23 0.06 0.05 0.14 -0.04 0.95 1.15 2d2cP1 MET 266 H -0.01 0.69 -0.02 -0.55 8.47 8.58 2d2cP1 MET 266 HA 0.00 -0.02 0.20 -0.75 4.52 3.95 2d2cP1 MET 266 HB2 0.00 -0.03 -0.32 -0.04 2.15 1.76 2d2cP1 MET 266 HB3 -0.01 0.14 -0.09 -0.04 2.03 2.03 2d2cP1 MET 266 HG2 0.01 -0.02 -0.06 -0.04 2.63 2.52 2d2cP1 MET 266 HG3 0.00 0.02 -0.02 -0.04 2.56 2.52 2d2cP1 MET 266 HE3 0.02 -0.00 -0.03 -0.04 2.10 2.05 2d2cP1 LEU 267 H -0.04 0.25 -0.89 -0.55 8.37 7.15 2d2cP1 LEU 267 HA -0.02 0.04 0.71 -0.75 4.35 4.33 2d2cP1 LEU 267 HB2 -0.04 0.16 0.26 -0.04 1.64 1.98 2d2cP1 LEU 267 HB3 -0.03 -0.10 0.04 -0.04 1.64 1.51 2d2cP1 LEU 267 HG -0.02 -0.07 0.05 -0.04 1.64 1.56 2d2cP1 LEU 267 HD13 -0.01 0.13 -0.05 -0.04 0.93 0.95 2d2cP1 LEU 267 HD23 -0.02 -0.01 0.03 -0.04 0.89 0.84 2d2cP1 ALA 268 H -0.05 1.06 0.33 -0.55 8.40 9.19 2d2cP1 ALA 268 HA -0.03 -0.05 0.47 -0.75 4.34 3.98 2d2cP1 ALA 268 HB3 -0.05 -0.03 0.20 -0.04 1.41 1.49 2d2cP1 GLN 269 H -0.01 0.35 0.06 -0.55 8.47 8.31 2d2cP1 GLN 269 HA -0.00 -0.01 0.29 -0.75 4.36 3.88 2d2cP1 GLN 269 HB2 0.00 0.01 0.02 -0.04 2.15 2.14 2d2cP1 GLN 269 HB3 0.00 -0.03 0.07 -0.04 2.02 2.02 2d2cP1 GLN 269 HG2 0.01 -0.06 -0.13 -0.04 2.40 2.18 2d2cP1 GLN 269 HG3 -0.00 0.11 -0.08 -0.04 2.39 2.37 2d2cP1 GLN 269 HE21 0.00 0.03 -0.10 -0.04 6.97 6.87 2d2cP1 GLN 269 HE22 0.01 -0.11 -0.30 -0.04 7.69 7.25 2d2cP1 LEU 270 H -0.01 0.27 -1.56 -0.55 8.37 6.52 2d2cP1 LEU 270 HA -0.00 0.09 0.72 -0.75 4.35 4.40 2d2cP1 LEU 270 HB2 -0.01 0.11 0.10 -0.04 1.64 1.80 2d2cP1 LEU 270 HB3 -0.01 0.52 0.35 -0.04 1.64 2.46 2d2cP1 LEU 270 HG -0.01 -0.07 -0.21 -0.04 1.64 1.32 2d2cP1 LEU 270 HD13 -0.00 -0.02 0.02 -0.04 0.93 0.89 2d2cP1 LEU 270 HD23 -0.01 -0.01 0.06 -0.04 0.89 0.90 2d2cP1 MET 271 H -0.01 0.64 0.35 -0.55 8.47 8.90 2d2cP1 MET 271 HA -0.01 0.00 0.46 -0.75 4.52 4.22 2d2cP1 MET 271 HB2 -0.02 0.11 0.23 -0.04 2.15 2.44 2d2cP1 MET 271 HB3 -0.01 -0.04 0.02 -0.04 2.03 1.96 2d2cP1 MET 271 HG2 -0.01 -0.02 0.05 -0.04 2.63 2.61 2d2cP1 MET 271 HG3 -0.01 -0.03 0.10 -0.04 2.56 2.59 2d2cP1 MET 271 HE3 -0.02 -0.01 0.00 -0.04 2.10 2.03 2d2cP1 LEU 272 H -0.01 0.60 -0.41 -0.55 8.37 8.00 2d2cP1 LEU 272 HA -0.01 0.01 0.39 -0.75 4.35 3.99 2d2cP1 LEU 272 HB2 -0.01 0.09 -0.07 -0.04 1.64 1.62 2d2cP1 LEU 272 HB3 -0.00 0.02 -0.13 -0.04 1.64 1.49 2d2cP1 LEU 272 HG -0.01 -0.01 -0.06 -0.04 1.64 1.52 2d2cP1 LEU 272 HD13 -0.00 -0.01 -0.06 -0.04 0.93 0.81 2d2cP1 LEU 272 HD23 -0.00 -0.01 0.04 -0.04 0.89 0.88 2d2cP1 ILE 273 H -0.00 0.70 -0.34 -0.55 8.25 8.06 2d2cP1 ILE 273 HA -0.00 0.05 0.72 -0.75 4.18 4.19 2d2cP1 ILE 273 HB -0.00 -0.10 0.06 -0.04 1.89 1.80 2d2cP1 ILE 273 HG12 -0.00 0.18 0.25 -0.04 1.49 1.88 2d2cP1 ILE 273 HG13 -0.00 0.01 -0.27 -0.04 1.21 0.91 2d2cP1 ILE 273 HG23 -0.00 0.06 0.02 -0.04 0.93 0.98 2d2cP1 ILE 273 HD13 -0.00 -0.03 0.01 -0.04 0.88 0.81 2d2cP1 LEU 274 H -0.00 0.61 0.07 -0.55 8.37 8.50 2d2cP1 LEU 274 HA -0.00 -0.03 0.32 -0.75 4.35 3.88 2d2cP1 LEU 274 HB2 -0.01 0.06 0.25 -0.04 1.64 1.90 2d2cP1 LEU 274 HB3 -0.00 -0.02 0.01 -0.04 1.64 1.58 2d2cP1 LEU 274 HG -0.01 0.12 -0.61 -0.04 1.64 1.11 2d2cP1 LEU 274 HD13 -0.01 -0.03 0.01 -0.04 0.93 0.87 2d2cP1 LEU 274 HD23 -0.00 -0.01 -0.03 -0.04 0.89 0.81 2d2cP1 LYS 275 H -0.00 0.48 -0.17 -0.55 8.42 8.16 2d2cP1 LYS 275 HA -0.00 0.05 0.33 -0.75 4.32 3.93 2d2cP1 LYS 275 HB2 -0.00 0.02 0.11 -0.04 1.87 1.96 2d2cP1 LYS 275 HB3 -0.00 -0.08 0.13 -0.04 1.79 1.79 2d2cP1 LYS 275 HG2 -0.00 0.15 0.03 -0.04 1.46 1.59 2d2cP1 LYS 275 HG3 -0.00 -0.01 0.04 -0.04 1.46 1.45 2d2cP1 LYS 275 HD2 -0.00 -0.00 0.04 -0.04 1.69 1.68 2d2cP1 LYS 275 HD3 -0.00 -0.07 0.07 -0.04 1.68 1.64 2d2cP1 LYS 275 HE2 -0.00 0.06 0.02 -0.04 2.99 3.03 2d2cP1 LYS 275 HE3 -0.00 -0.00 0.02 -0.04 2.99 2.96 2d2cP1 LYS 276 H -0.00 0.03 -0.00 -0.55 8.42 7.89 2d2cP1 LYS 276 HA -0.00 -0.01 0.25 -0.75 4.32 3.80 2d2cP1 LYS 276 HB2 -0.00 0.15 -0.03 -0.04 1.87 1.95 2d2cP1 LYS 276 HB3 -0.00 -0.13 0.19 -0.04 1.79 1.81 2d2cP1 LYS 276 HG2 -0.00 0.21 -0.02 -0.04 1.46 1.61 2d2cP1 LYS 276 HG3 -0.00 0.00 0.10 -0.04 1.46 1.52 2d2cP1 LYS 276 HD2 -0.00 -0.07 0.11 -0.04 1.69 1.69 2d2cP1 LYS 276 HD3 -0.00 0.00 0.06 -0.04 1.68 1.70 2d2cP1 LYS 276 HE2 -0.00 0.01 0.04 -0.04 2.99 3.00 2d2cP1 LYS 276 HE3 -0.00 -0.03 0.06 -0.04 2.99 2.97 2d2cP1 LYS 277 H -0.00 0.12 0.14 -0.55 8.42 8.13 2d2cP1 LYS 277 HA -0.00 -0.05 0.33 -0.75 4.32 3.85 2d2cP1 LYS 277 HB2 -0.00 -0.03 0.14 -0.04 1.87 1.93 2d2cP1 LYS 277 HB3 -0.00 0.05 0.15 -0.04 1.79 1.94 2d2cP1 LYS 277 HG2 -0.00 -0.05 -0.04 -0.04 1.46 1.32 2d2cP1 LYS 277 HG3 -0.00 -0.02 0.00 -0.04 1.46 1.40 2d2cP1 LYS 277 HD2 -0.00 -0.01 -0.05 -0.04 1.69 1.59 2d2cP1 LYS 277 HD3 -0.00 0.14 -0.29 -0.04 1.68 1.49 2d2cP1 LYS 277 HE2 -0.00 -0.02 -0.13 -0.04 2.99 2.81 2d2cP1 LYS 277 HE3 -0.00 -0.04 -0.05 -0.04 2.99 2.86 2d2cP1 GLN 278 H -0.00 0.36 -0.33 -0.55 8.47 7.95 2d2cP1 GLN 278 HA -0.00 -0.12 0.45 -0.75 4.36 3.94 2d2cP1 GLN 278 HB2 -0.00 0.96 0.33 -0.04 2.15 3.39 2d2cP1 GLN 278 HB3 -0.00 -0.23 0.24 -0.04 2.02 1.99 2d2cP1 GLN 278 HG2 -0.00 -0.05 0.04 -0.04 2.40 2.35 2d2cP1 GLN 278 HG3 -0.00 -0.12 -0.19 -0.04 2.39 2.03 2d2cP1 GLN 278 HE21 -0.00 -0.06 -0.03 -0.04 6.97 6.84 2d2cP1 GLN 278 HE22 -0.00 0.01 -0.05 -0.04 7.69 7.60 2d2cP1 VAL 279 H -0.00 0.19 -1.21 -0.55 8.24 6.67 2d2cP1 VAL 279 HA -0.00 -0.08 0.41 -0.75 4.13 3.70 2d2cP1 VAL 279 HB -0.00 -0.02 -0.08 -0.04 2.12 1.98 2d2cP1 VAL 279 HG13 -0.00 -0.06 0.04 -0.04 0.97 0.91 2d2cP1 VAL 279 HG23 -0.00 0.07 -0.06 -0.04 0.95 0.92 2d2cP1 GLU 280 H -0.00 0.25 0.15 -0.55 8.60 8.45 2d2cP1 GLU 280 HA -0.00 0.16 0.79 -0.75 4.29 4.48 2d2cP1 GLU 280 HB2 -0.00 0.02 0.03 -0.04 2.09 2.09 2d2cP1 GLU 280 HB3 -0.00 0.11 0.03 -0.04 1.99 2.09 2d2cP1 GLU 280 HG2 -0.00 -0.20 0.19 -0.04 2.34 2.29 2d2cP1 GLU 280 HG3 -0.00 0.01 0.05 -0.04 2.34 2.36 2d2cP1 LYS 281 H -0.00 0.19 0.05 -0.55 8.42 8.11 2d2cP1 LYS 281 HA -0.00 0.12 0.34 -0.75 4.32 4.03 2d2cP1 LYS 281 HB2 -0.00 0.04 -0.02 -0.04 1.87 1.85 2d2cP1 LYS 281 HB3 -0.00 0.08 0.13 -0.04 1.79 1.96 2d2cP1 LYS 281 HG2 -0.00 -0.03 0.04 -0.04 1.46 1.42 2d2cP1 LYS 281 HG3 -0.00 0.07 0.03 -0.04 1.46 1.51 2d2cP1 LYS 281 HD2 -0.00 0.06 0.04 -0.04 1.69 1.75 2d2cP1 LYS 281 HD3 -0.00 -0.31 0.09 -0.04 1.68 1.42 2d2cP1 LYS 281 HE2 -0.00 0.05 -0.24 -0.04 2.99 2.75 2d2cP1 LYS 281 HE3 -0.00 0.03 -0.02 -0.04 2.99 2.95 2d2cP1 VAL 282 H -0.00 -0.17 -1.84 -0.55 8.24 5.69 2d2cP1 VAL 282 HA -0.00 0.17 0.41 -0.75 4.13 3.95 2d2cP1 VAL 282 HB -0.00 0.03 -0.09 -0.04 2.12 2.03 2d2cP1 VAL 282 HG13 -0.00 0.00 -0.15 -0.04 0.97 0.78 2d2cP1 VAL 282 HG23 -0.00 -0.12 0.03 -0.04 0.95 0.82 2d2cP1 GLN 283 H -0.00 0.24 0.09 -0.55 8.47 8.25 2d2cP1 GLN 283 HA -0.00 0.12 0.56 -0.75 4.36 4.28 2d2cP1 GLN 283 HB2 -0.00 0.03 0.17 -0.04 2.15 2.30 2d2cP1 GLN 283 HB3 -0.00 0.02 0.01 -0.04 2.02 2.01 2d2cP1 GLN 283 HG2 -0.00 0.00 0.03 -0.04 2.40 2.39 2d2cP1 GLN 283 HG3 -0.00 0.02 0.04 -0.04 2.39 2.41 2d2cP1 GLN 283 HE21 -0.00 0.01 0.03 -0.04 6.97 6.97 2d2cP1 GLN 283 HE22 -0.00 0.00 0.02 -0.04 7.69 7.67 2d2cP1 ALA 284 H -0.00 0.34 -0.20 -0.55 8.40 7.99 2d2cP1 ALA 284 HA -0.00 0.07 0.44 -0.75 4.34 4.10 2d2cP1 ALA 284 HB3 -0.00 -0.03 0.10 -0.04 1.41 1.44 2d2cP1 ALA 285 H -0.00 0.00 -1.60 -0.55 8.40 6.25 2d2cP1 ALA 285 HA -0.00 0.12 0.66 -0.75 4.34 4.36 2d2cP1 ALA 285 HB3 -0.00 0.20 0.08 -0.04 1.41 1.64 2d2cP1 GLU 286 H -0.00 0.26 -0.04 -0.55 8.60 8.27 2d2cP1 GLU 286 HA -0.00 0.16 0.45 -0.75 4.29 4.15 2d2cP1 GLU 286 HB2 -0.00 -0.02 0.08 -0.04 2.09 2.10 2d2cP1 GLU 286 HB3 -0.00 0.09 -0.16 -0.04 1.99 1.89 2d2cP1 GLU 286 HG2 -0.00 0.02 0.12 -0.04 2.34 2.44 2d2cP1 GLU 286 HG3 -0.00 -0.03 0.02 -0.04 2.34 2.29